WAY-311677
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.7448    0.5979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7345    1.1013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1690    1.1910    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4862   -0.4745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8138    2.1910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6483    0.4910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0207    0.4772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5931   -0.5469    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8000    2.6807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6345    0.9807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.6289    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7207    2.0910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7862   -0.2366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7448    2.5876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3724   -1.2607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8655   -0.0849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2931   -1.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0586   -2.1331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8690   -2.4504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6483   -3.1331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5517   -3.2849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  9 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
  7  8  2  0  0  0  0
 10 12  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (1)
1

>  <Formula> (1)
C16H13N3OS

>  <MolWeight> (1)
295.35892

>  <COMPOUND_NAME> (1)
WAY-311677

>  <BAR_CODE_NO> (1)
3916133

$$$$
WAY-345081
csChFnd80/06171916322D

 22 25  0  0  0  0  0  0  0  0999 V2000
    5.1625   -2.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1625   -2.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4500   -1.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4542   -3.2667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7375   -2.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7417   -2.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8792   -3.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3042   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5875   -2.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3167   -4.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4500   -0.7917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8792   -1.6125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0042   -2.8292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8792   -4.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0292   -4.4792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5917   -4.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0167   -1.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0167   -3.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7250   -3.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7375   -4.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3042   -2.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3042   -2.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  2  1  0  0  0  0
  8  9  2  0  0  0  0
  9  7  1  0  0  0  0
 10 16  2  0  0  0  0
 11  3  2  0  0  0  0
 12  1  1  0  0  0  0
 13  8  1  0  0  0  0
 14  7  2  0  0  0  0
 15 10  1  0  0  0  0
 16 14  1  0  0  0  0
 17  5  2  0  0  0  0
 18  6  2  0  0  0  0
 19 13  1  0  0  0  0
 20 15  1  0  0  0  0
 21 17  1  0  0  0  0
 22 21  2  0  0  0  0
  4  6  1  0  0  0  0
 18 22  1  0  0  0  0
  8 10  1  0  0  0  0
 20 19  1  0  0  0  0
M  END
>  <Mol_ID> (2)
2

>  <Formula> (2)
C17H13NO4

>  <MolWeight> (2)
295.28942

>  <COMPOUND_NAME> (2)
WAY-345081

>  <BAR_CODE_NO> (2)
2555472

$$$$
WAY-313209
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
    0.6830    0.2534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6830    1.1569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4485   -0.2086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0929   -0.2086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0929    1.5948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4485    1.5948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4485   -1.0983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2416    0.2741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0929   -1.0983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0929    2.5051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4485    2.5051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6830   -1.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2416   -1.5776    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0313    0.7534    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8791   -1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6830    2.9396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6515   -1.0983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8791   -2.4431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6830    3.8534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4170   -1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6515   -2.8983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0929    4.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4170   -2.4431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1825   -1.1224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1825   -2.8707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  3  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  2  0  0  0  0
 19 22  1  0  0  0  0
 20 23  2  0  0  0  0
 20 24  1  0  0  0  0
 23 25  1  0  0  0  0
  9 12  2  0  0  0  0
 11 16  2  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (3)
3

>  <Formula> (3)
C21H19N3O

>  <MolWeight> (3)
329.39506

>  <COMPOUND_NAME> (3)
WAY-313209

>  <BAR_CODE_NO> (3)
3918039

$$$$
WAY-313128
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    3.6355    2.0965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6355    0.7136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8845    2.8102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4163    2.8102    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2118    0.7136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4163    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2118    2.0965    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0963    2.1411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4163    4.2006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8845    4.2006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2118    4.9143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6355    4.9143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4163    7.0256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8845    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6355    6.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2118    6.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4163    8.4160    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2932    2.8549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4047    4.2229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5943    2.3195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5088    3.3678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7727    4.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  7  1  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8  3  1  0  0  0  0
  9  4  1  0  0  0  0
 10  3  2  0  0  0  0
 11  5  2  0  0  0  0
 12  9  1  0  0  0  0
 13  9  2  0  0  0  0
 14 16  2  0  0  0  0
 15  2  1  0  0  0  0
 16 13  1  0  0  0  0
 17 12  2  0  0  0  0
 18 14  1  0  0  0  0
 19  8  1  0  0  0  0
 20 19  1  0  0  0  0
 21 19  1  0  0  0  0
 22 21  1  0  0  0  0
 23 20  1  0  0  0  0
  5  6  1  0  0  0  0
 14 17  1  0  0  0  0
 23 22  1  0  0  0  0
M  END
>  <Mol_ID> (4)
4

>  <Formula> (4)
C17H19ClN2O3

>  <MolWeight> (4)
334.79736

>  <COMPOUND_NAME> (4)
WAY-313128

>  <BAR_CODE_NO> (4)
3917930

$$$$
WAY-233304
csChFnd80/06171916322D

 16 17  0  0  0  0  0  0  0  0999 V2000
    2.1516    2.2988    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8182    1.8399    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1040    3.6842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2080    1.3723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8008    4.0868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.9742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5068    1.8312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9092    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2295    5.3640    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.7665    3.1819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3076    5.9441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5847    7.2948    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7102    4.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0999    3.6321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9873    5.4765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3597    5.0090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  2  0  0  0  0
  6  2  2  0  0  0  0
  7  4  1  0  0  0  0
  8  4  2  0  0  0  0
  9  5  1  0  0  0  0
 10  7  1  0  0  0  0
 11 16  1  0  0  0  0
 12 11  1  0  0  0  0
 13 10  2  0  0  0  0
 14 10  1  0  0  0  0
 15 13  1  0  0  0  0
 16 14  2  0  0  0  0
  5  6  1  0  0  0  0
 11 15  2  0  0  0  0
M  END
>  <Mol_ID> (5)
5

>  <Formula> (5)
C11H8Cl2N2O

>  <MolWeight> (5)
255.10002

>  <COMPOUND_NAME> (5)
WAY-233304

>  <BAR_CODE_NO> (5)
3917827

$$$$
CL-421120
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -2.5539   -2.0338    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.2587   -2.7724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5903   -0.5097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8803   -2.8296    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0936   -1.8985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2015   -4.3380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9791    0.2757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2952    0.2757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8803   -4.3380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4824   -2.6371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0416   -0.3797    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5539   -5.1390    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1821   -5.0870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9791    1.7841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2952    1.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2639   -5.1390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7828   -1.8309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6423    2.5851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7516   -0.2913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1351   -2.5643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6423    4.0935    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.1039    0.5149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4615   -1.7893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9115    4.9518    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3732    5.0090    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.4355   -0.2601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  2  0  0  0  0
  9 16  2  0  0  0  0
 10 17  1  0  0  0  0
 14 18  2  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  2  0  0  0  0
 21 25  1  0  0  0  0
 22 26  1  0  0  0  0
  9 12  1  0  0  0  0
 15 18  1  0  0  0  0
 23 26  1  0  0  0  0
M  END
>  <Mol_ID> (6)
6

>  <Formula> (6)
C18H21N3O5

>  <MolWeight> (6)
359.37644

>  <COMPOUND_NAME> (6)
CL-421120

>  <BAR_CODE_NO> (6)
3917659

$$$$
WAY-235285
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
    6.0831    4.9149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8695    4.2424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0831    6.3359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6560    4.9149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2816    4.2020    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8695    7.0540    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2816    2.8165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6560    6.3359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4952    2.1186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4271    4.2424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8695    2.8165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2816    7.0540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7087    2.8165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3056    2.2854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4271    7.0540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2137    4.9149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7087    4.2729    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2137    6.3359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2020    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    8.4952    0.7230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9224    2.1186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6560    2.1239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0831    2.1239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7087    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0831    0.7230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6560    0.7230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9224    0.7230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8695    0.0404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  5  1  0  0  0  0
  8  6  1  0  0  0  0
  9  7  1  0  0  0  0
 10  4  1  0  0  0  0
 11  2  1  0  0  0  0
 12  3  2  0  0  0  0
 13  9  2  0  0  0  0
 14  7  2  0  0  0  0
 15  8  1  0  0  0  0
 16 10  2  0  0  0  0
 17 13  1  0  0  0  0
 18 15  2  0  0  0  0
 19 16  1  0  0  0  0
 20  9  1  0  0  0  0
 21 13  1  0  0  0  0
 22 11  1  0  0  0  0
 23 11  2  0  0  0  0
 24 20  2  0  0  0  0
 25 23  1  0  0  0  0
 26 22  2  0  0  0  0
 27 24  1  0  0  0  0
 28 25  2  0  0  0  0
  4  8  2  0  0  0  0
 16 18  1  0  0  0  0
 26 28  1  0  0  0  0
 27 21  2  0  0  0  0
M  END
>  <Mol_ID> (7)
7

>  <Formula> (7)
C22H14BrClN2O2

>  <MolWeight> (7)
453.71576

>  <COMPOUND_NAME> (7)
WAY-235285

>  <BAR_CODE_NO> (7)
3915927

$$$$
WAY-239147
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
    3.6445    2.1107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6445    0.7037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4837    0.0283    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4837    2.7863    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2243    0.7387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8548    2.8143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4837    4.1863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8548    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0792    2.1107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2664    2.1107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0792    0.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2664    4.8758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0633    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2664    6.2760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6657    4.8758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0633    6.9866    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6657    6.3112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2962    2.8143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2962    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4837    6.9726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0633    8.3798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5 10  1  0  0  0  0
  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8  2  1  0  0  0  0
  9  6  2  0  0  0  0
 10  4  1  0  0  0  0
 11  9  1  0  0  0  0
 12  7  1  0  0  0  0
 13  5  2  0  0  0  0
 14 12  2  0  0  0  0
 15  7  2  0  0  0  0
 16 14  1  0  0  0  0
 17 15  1  0  0  0  0
 18  9  1  0  0  0  0
 19 11  1  0  0  0  0
 20 17  2  0  0  0  0
 21 16  1  0  0  0  0
 11  8  2  0  0  0  0
  5  3  1  0  0  0  0
 20 14  1  0  0  0  0
M  END
>  <Mol_ID> (8)
8

>  <Formula> (8)
C18H19NO2

>  <MolWeight> (8)
281.34896

>  <COMPOUND_NAME> (8)
WAY-239147

>  <BAR_CODE_NO> (8)
3916692

$$$$
WAY-312190
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    0.4241   -0.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2759   -0.4897    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.4241   -1.7276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1483   -0.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2759    0.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9897   -0.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1483   -2.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2759   -2.1276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8724   -0.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9897    0.7483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4345    0.7483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0138   -1.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8724   -1.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5862   -0.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9897    1.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4345    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7379   -2.1138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5862   -2.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2759    1.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7000    1.9862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2862    2.8103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7000    2.8103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4207    3.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  2  0  0  0  0
  9 14  1  0  0  0  0
 10 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 17  2  0  0  0  0
 13 18  1  0  0  0  0
 15 19  1  0  0  0  0
 15 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 16 19  2  0  0  0  0
M  END
>  <Mol_ID> (9)
9

>  <Formula> (9)
C19H21NO3

>  <MolWeight> (9)
311.37494

>  <COMPOUND_NAME> (9)
WAY-312190

>  <BAR_CODE_NO> (9)
3916787

$$$$
WAY-311069
csChFnd80/06171916322D

 25 29  0  0  0  0  0  0  0  0999 V2000
   -0.0759   -0.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0759   -1.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6379   -0.0241    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.7931   -0.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7931   -1.6828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6379   -1.6828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6379    0.8103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3586   -0.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5034   -0.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4931   -1.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7828   -2.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3586   -1.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0759    1.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3586    1.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2034   -1.6828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4931   -2.9103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0759   -1.6828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0759    2.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3586    2.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0759    0.8103    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.2034   -2.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6448    2.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6931    2.5966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4655    3.2690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3552    3.3586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  2  0  0  0  0
 10 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 17  2  0  0  0  0
 13 18  2  0  0  0  0
 14 19  1  0  0  0  0
 14 20  1  0  0  0  0
 15 21  1  0  0  0  0
 18 22  1  0  0  0  0
 18 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
 16 21  2  0  0  0  0
 19 22  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (10)
10

>  <Formula> (10)
C20H14ClNO3

>  <MolWeight> (10)
351.78306

>  <COMPOUND_NAME> (10)
WAY-311069

>  <BAR_CODE_NO> (10)
3915414

$$$$
WAY-311696
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
    4.1667    3.5635    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5923    2.2413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4820    1.3902    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5626    3.5635    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.7595    3.5635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2265    4.7948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3435    2.2016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6337    4.8647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3317    3.6411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2719    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9314    1.8158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3600    6.0847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5059    5.9920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6621    2.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7275    3.6411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2702    4.7948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5103    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4652    4.8647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8119    4.5905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7559    6.1055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9646    1.9009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8554    4.8647    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5420    3.6769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4256    4.2784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.9279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  5  1  0  0  0  0
  8  6  1  0  0  0  0
  9 14  1  0  0  0  0
 10  4  1  0  0  0  0
 11  2  2  0  0  0  0
 12  8  2  0  0  0  0
 13  6  2  0  0  0  0
 14 10  1  0  0  0  0
 15  9  2  0  0  0  0
 16  1  1  0  0  0  0
 17  3  1  0  0  0  0
 18 15  1  0  0  0  0
 19  5  2  0  0  0  0
 20 12  1  0  0  0  0
 21  7  2  0  0  0  0
 22 18  1  0  0  0  0
 23 22  1  0  0  0  0
 24 19  1  0  0  0  0
 25 24  2  0  0  0  0
  7  3  1  0  0  0  0
 25 21  1  0  0  0  0
  8  9  1  0  0  0  0
 20 18  2  0  0  0  0
M  END
>  <Mol_ID> (11)
11

>  <Formula> (11)
C20H19NO4

>  <MolWeight> (11)
337.36916

>  <COMPOUND_NAME> (11)
WAY-311696

>  <BAR_CODE_NO> (11)
3916162

$$$$
WAY-312930
csChFnd80/06171916322D

 22 25  0  0  0  0  0  0  0  0999 V2000
   -0.0862   -0.8379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0862   -0.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7483   -1.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5621   -1.2172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5621    0.2966    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.7414    0.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4000   -0.8379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7483   -1.9690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2207   -0.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5724    1.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2207   -0.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4000   -0.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0552   -1.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4000   -2.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8621   -1.2172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2207    1.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0793    1.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0552   -1.9690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2207    2.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0793    2.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5724    2.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8724    2.5448    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  2  0  0  0  0
 10 16  1  0  0  0  0
 10 17  2  0  0  0  0
 13 18  1  0  0  0  0
 16 19  2  0  0  0  0
 17 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
  7 12  1  0  0  0  0
  9 11  1  0  0  0  0
 14 18  2  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (12)
12

>  <Formula> (12)
C19H14FNO

>  <MolWeight> (12)
291.3189632

>  <COMPOUND_NAME> (12)
WAY-312930

>  <BAR_CODE_NO> (12)
3917676

$$$$
WAY-239417
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
    3.6725    2.1217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6725    0.7050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4884    0.0282    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4884    2.7985    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2407    0.7400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8850    2.8196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4884    4.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8850    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1257    2.1217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2688    4.9061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2688    6.2665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2688    2.1217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1257    0.6836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4884    6.9786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6938    4.9061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6938    6.3228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0634    6.9786    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4532    8.3743    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.3310    2.8196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3310    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5 12  1  0  0  0  0
  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8  2  1  0  0  0  0
  9  6  2  0  0  0  0
 10  7  1  0  0  0  0
 11 10  2  0  0  0  0
 12  4  1  0  0  0  0
 13  9  1  0  0  0  0
 14 17  2  0  0  0  0
 15  5  2  0  0  0  0
 16  7  2  0  0  0  0
 17 16  1  0  0  0  0
 18 11  1  0  0  0  0
 19 14  1  0  0  0  0
 20  9  1  0  0  0  0
 21 13  1  0  0  0  0
 13  8  2  0  0  0  0
  5  3  1  0  0  0  0
 14 11  1  0  0  0  0
M  END
>  <Mol_ID> (13)
13

>  <Formula> (13)
C17H15F2NO

>  <MolWeight> (13)
287.3039064

>  <COMPOUND_NAME> (13)
WAY-239417

>  <BAR_CODE_NO> (13)
3915322

$$$$
WAY-312102
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.0756   -1.3416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1687   -2.6968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0831   -0.6036    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1342   -0.4416    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9624   -3.4726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4100   -3.3105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7762    0.7308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6031    0.8308    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8693   -4.8381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2796   -2.8347    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.5031   -4.6761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6520    1.7688    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3756   -5.4381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1900    3.0791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0445    3.4688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9279    4.2308    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4445    4.6895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1031    2.6964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7307    4.6895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1480    3.4688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  9 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
  7  8  2  0  0  0  0
 11 13  2  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (14)
14

>  <Formula> (14)
C13H8ClN3O2S

>  <MolWeight> (14)
305.73952

>  <COMPOUND_NAME> (14)
WAY-312102

>  <BAR_CODE_NO> (14)
3916674

$$$$
WAY-311239
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -1.1172    0.8205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1828    0.2101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1759   -0.1381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6000    2.3515    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5690    1.0136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1862   -1.4036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.7929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0138    2.3274    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9552    0.2170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5828    2.4101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5793   -2.2002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5586    0.1722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9690   -1.3933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5931   -3.8105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9621    0.9757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5552   -1.4278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3483    0.1619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9517    2.5964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9345   -2.2347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3345   -1.4416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  9 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
  7  8  1  0  0  0  0
 11 13  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (15)
15

>  <Formula> (15)
C17H16N2O

>  <MolWeight> (15)
264.32174

>  <COMPOUND_NAME> (15)
WAY-311239

>  <BAR_CODE_NO> (15)
3915609

$$$$
WAY-311698
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.8621   -0.5483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1448   -0.7138    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4000   -1.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9448    0.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2379   -0.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1103   -0.8241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2621    0.4862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000   -0.0759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2690   -0.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6690   -1.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3552    0.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9828    0.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3621   -1.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0897    0.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000    1.2034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5310   -0.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4517    1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4690   -0.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1897    1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1897   -0.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5517    0.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  2  0  0  0  0
  6 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  2  0  0  0  0
 11 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12 16  2  0  0  0  0
 14 17  1  0  0  0  0
 14 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
  5  7  2  0  0  0  0
 13 16  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (16)
16

>  <Formula> (16)
C17H20N2OS

>  <MolWeight> (16)
300.4185

>  <COMPOUND_NAME> (16)
WAY-311698

>  <BAR_CODE_NO> (16)
3916165

$$$$
WAY-310947
csChFnd80/06171916322D

 21 24  0  0  0  0  0  0  0  0999 V2000
   -1.6621    0.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9069   -1.1862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2069    0.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3414   -0.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8483    1.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6448   -1.1862    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9793    1.5483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9966    0.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6034    2.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1828   -1.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6448   -2.7241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6621    0.3690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4621    1.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1448    2.9172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0069    2.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9793   -2.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9586    0.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000   -2.5207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4793    0.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2966   -1.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8138   -1.1862    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  2  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
 10 16  2  0  0  0  0
 10 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 20 21  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (17)
17

>  <Formula> (17)
C16H20FNO2S

>  <MolWeight> (17)
309.3989032

>  <COMPOUND_NAME> (17)
WAY-310947

>  <BAR_CODE_NO> (17)
3915257

$$$$
WAY-310527
csChFnd80/06171916322D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -2.1224   -0.4860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6810   -0.4860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8431   -1.7273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0741    0.5727    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0224    0.7554    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0466   -1.7101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2396   -1.3963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3810   -0.0066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4466    0.7554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1569   -0.4929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1569    1.9796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6052   -0.4929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5983    1.9796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3086    0.7554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
  7  8  2  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (18)
18

>  <Formula> (18)
C11H15NO2

>  <MolWeight> (18)
193.2423

>  <COMPOUND_NAME> (18)
WAY-310527

>  <BAR_CODE_NO> (18)
3914755

$$$$
WAY-311065
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.1724   -0.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9862   -0.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2517   -1.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2276    0.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6690   -0.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0586   -1.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2966   -1.8172    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0759   -1.1828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0552    0.2552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1966    0.9448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5931    0.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4103   -0.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4690   -0.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4655    0.9690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2690    1.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0931   -0.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2897    0.9793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0241    0.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7069    0.2655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6931    1.6966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5310    0.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 18  2  0  0  0  0
 17 19  1  0  0  0  0
 17 20  2  0  0  0  0
 19 21  1  0  0  0  0
  6  7  1  0  0  0  0
  9 13  1  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (19)
19

>  <Formula> (19)
C15H12N2O3S

>  <MolWeight> (19)
300.33238

>  <COMPOUND_NAME> (19)
WAY-311065

>  <BAR_CODE_NO> (19)
3915409

$$$$
WAY-312071
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -0.7414   -0.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5517   -0.8828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3172   -1.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3414    0.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2241   -0.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6276   -1.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8655   -2.0345    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000   -1.4069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4897    0.0310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7655    0.7310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1483    0.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9621   -0.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9103   -0.6828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8966    0.7552    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.8172    0.8793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6379   -0.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7207    0.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4759    1.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5621    0.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1379    0.0448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1276    1.4793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2414    1.0034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9621    0.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1655    1.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3621    0.7724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3759   -0.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1897    0.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000   -0.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6103    0.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  2  0  0  0  0
 14 17  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  2  0  0  0  0
 17 20  1  0  0  0  0
 17 21  2  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
  6  7  1  0  0  0  0
  9 13  1  0  0  0  0
 16 19  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (20)
20

>  <Formula> (20)
C22H24N2O4S

>  <MolWeight> (20)
412.50196

>  <COMPOUND_NAME> (20)
WAY-312071

>  <BAR_CODE_NO> (20)
3916638

$$$$
WAY-311406
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -0.7345   -0.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5448   -0.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3103   -1.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3345    0.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2207   -0.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6207   -1.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8586   -1.8103    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5172   -1.1828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4966    0.2552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7586    0.9552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1552    0.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9724   -0.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9172   -0.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9034    0.9793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8310    1.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6552   -0.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7276    0.9793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5828    0.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1448    0.2655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1345    1.7034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2655    1.2414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9690    0.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1931    2.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3897   -0.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6069   -1.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0793    0.0172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4276   -1.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7172   -0.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 18  2  0  0  0  0
 17 19  1  0  0  0  0
 17 20  2  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
  6  7  1  0  0  0  0
  9 13  1  0  0  0  0
 16 18  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <Mol_ID> (21)
21

>  <Formula> (21)
C20H17N3O4S

>  <MolWeight> (21)
395.43168

>  <COMPOUND_NAME> (21)
WAY-311406

>  <BAR_CODE_NO> (21)
3915790

$$$$
WAY-314129
csChFnd80/06171916322D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -3.0310    0.8069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2966    1.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0310   -0.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7759    1.5345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5483    0.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2931   -1.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5207    0.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5517   -0.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7276    1.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8138   -1.3828    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.9828    0.8241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2345    1.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4966    0.8276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2345    3.0034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4966   -0.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4621   -1.7034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1655   -1.2138    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.7379   -2.9586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3207   -2.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
  6  8  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (22)
22

>  <Formula> (22)
C12H12ClN3O2S

>  <MolWeight> (22)
297.76058

>  <COMPOUND_NAME> (22)
WAY-314129

>  <BAR_CODE_NO> (22)
1363774

$$$$
GI-566036
csChFnd80/06171916322D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -0.1034   -0.4244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0862    0.6445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8069   -0.9451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0138   -0.9451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8241    1.1652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9931    1.1652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8069   -2.0244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7655   -0.4244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0138   -2.0244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9448   -0.3969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8552    2.2031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7655    0.6135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9931    2.2445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1034   -2.5451    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7345   -2.5762    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6966    0.1238    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9448   -2.6072    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8862    0.1549    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0862    2.7652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0862    3.8342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8 16  3  0  0  0  0
  9 17  1  0  0  0  0
 10 18  3  0  0  0  0
 11 19  1  0  0  0  0
 19 20  1  0  0  0  0
  9 14  1  0  0  0  0
 13 19  2  0  0  0  0
M  END
>  <Mol_ID> (23)
23

>  <Formula> (23)
C15H14N4S

>  <MolWeight> (23)
282.36346

>  <COMPOUND_NAME> (23)
GI-566036

>  <BAR_CODE_NO> (23)
3917543

$$$$
WAY-345339
csChFnd80/06171916322D

 20 21  0  0  0  0  0  0  0  0999 V2000
    7.7292   -3.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4542   -3.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3667   -4.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7042   -4.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2667   -5.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7250   -2.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3375   -2.5417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5250   -4.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5167   -3.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6667   -6.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5292   -5.7250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6292   -4.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0667   -7.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3375   -7.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1667   -6.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4250   -6.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.9042    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   15.2917   -5.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9417   -6.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0292   -5.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5 12  1  0  0  0  0
  6  2  2  0  0  0  0
  7  1  2  0  0  0  0
  8  4  1  0  0  0  0
  9  6  1  0  0  0  0
 10  5  2  0  0  0  0
 11  5  1  0  0  0  0
 12  3  1  0  0  0  0
 13 16  2  0  0  0  0
 14 13  1  0  0  0  0
 15 11  1  0  0  0  0
 16 15  1  0  0  0  0
 17 14  1  0  0  0  0
 18 20  2  0  0  0  0
 19 18  1  0  0  0  0
 20 16  1  0  0  0  0
  8  9  2  0  0  0  0
 19 14  2  0  0  0  0
M  END
>  <Mol_ID> (24)
24

>  <Formula> (24)
C14H12ClNO4

>  <MolWeight> (24)
293.70238

>  <COMPOUND_NAME> (24)
WAY-345339

>  <BAR_CODE_NO> (24)
2555656

$$$$
WAY-343684
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
    6.6417   -9.3125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2042   -5.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5542   -7.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6500   -5.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5542   -7.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6542   -3.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5833   -1.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7917  -11.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7167  -13.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1000   -1.4375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8208    0.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3375  -15.6042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1500   -3.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8333   -3.5875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4917  -12.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9042  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500  -13.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6125   -1.2917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5875    2.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2917    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042   -8.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3375    4.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8625    4.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4667    2.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9667   -8.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5167    7.0250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  1  1  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7 10  1  0  0  0  0
  8  1  1  0  0  0  0
  9  8  1  0  0  0  0
 10 13  1  0  0  0  0
 11  7  1  0  0  0  0
 12  9  1  0  0  0  0
 13  6  1  0  0  0  0
 14  7  2  0  0  0  0
 15  9  2  0  0  0  0
 16 12  1  0  0  0  0
 17 15  1  0  0  0  0
 18  6  2  0  0  0  0
 19 11  1  0  0  0  0
 20 11  2  0  0  0  0
 21  3  1  0  0  0  0
 22 24  2  0  0  0  0
 23 19  2  0  0  0  0
 24 20  1  0  0  0  0
 25  5  1  0  0  0  0
 26 22  1  0  0  0  0
  4  2  1  0  0  0  0
 17 16  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (25)
25

>  <Formula> (25)
C20H19NO5

>  <MolWeight> (25)
353.36856

>  <COMPOUND_NAME> (25)
WAY-343684

>  <BAR_CODE_NO> (25)
2553825

$$$$
WAY-310983
csChFnd80/06171916322D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -0.9034   -0.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3207    0.9345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0655   -1.2655    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3828   -1.0414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7207    0.9345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2034   -0.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5310   -0.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7690    1.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6828   -0.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8172   -0.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3966    1.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0379    1.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9828    0.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9483   -2.2379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5345    2.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8586    1.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2483   -2.8241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  1  0  0  0  0
 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
  5  6  2  0  0  0  0
  9 12  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <Mol_ID> (26)
26

>  <Formula> (26)
C13H14N2OS

>  <MolWeight> (26)
246.32806

>  <COMPOUND_NAME> (26)
WAY-310983

>  <BAR_CODE_NO> (26)
3915301

$$$$
WAY-115431
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    0.8133    1.5894    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5246    2.3549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8271    0.0514    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1512    2.3687    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5246    3.9066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8557    1.5825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8202   -1.4727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5005   -0.7106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1581   -0.7106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1443    3.9135    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8695    4.6756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2005    2.3445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5108   -2.2348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1374   -2.2279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2074    3.8997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5177   -3.7658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8315   -1.4658    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1374   -3.7520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5453    4.6687    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.8064   -4.5348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1626   -2.2210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4650   -4.5141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7892   -3.7451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  3  9  2  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  2  0  0  0  0
  7 14  1  0  0  0  0
 11 15  2  0  0  0  0
 13 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  2  0  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
 22 23  1  0  0  0  0
  5 10  1  0  0  0  0
 12 15  1  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (27)
27

>  <Formula> (27)
C14H12ClN3O4S

>  <MolWeight> (27)
353.78078

>  <COMPOUND_NAME> (27)
WAY-115431

>  <BAR_CODE_NO> (27)
3918154

$$$$
CL-243214
csChFnd80/06171916322D

 18 20  0  0  0  0  0  0  0  0999 V2000
    3.9042   -2.3125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9042   -3.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1917   -1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4792   -2.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1917   -3.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4792   -3.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6292   -1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6292   -3.5542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.6375   -1.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1917   -1.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3042   -0.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9667   -0.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0542    0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2292    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667   -1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667   -3.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0500   -2.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0500   -3.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  2  0  0  0  0
  9  7  1  0  0  0  0
 10  3  2  0  0  0  0
 11  9  1  0  0  0  0
 12  9  2  0  0  0  0
 13 11  1  0  0  0  0
 14 12  1  0  0  0  0
 15  4  2  0  0  0  0
 16  6  2  0  0  0  0
 17 15  1  0  0  0  0
 18 17  2  0  0  0  0
  6  5  1  0  0  0  0
 13 14  2  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (28)
28

>  <Formula> (28)
C13H10N2O2S

>  <MolWeight> (28)
258.2957

>  <COMPOUND_NAME> (28)
CL-243214

>  <BAR_CODE_NO> (28)
2555628

$$$$
WAY-345073
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
   12.5292   -6.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5250   -4.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4667   -6.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4417   -4.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3792   -6.1042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.7125   -6.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3792   -4.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6917   -4.4542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.4417   -5.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2375   -7.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4667   -7.9750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2917   -4.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4750   -7.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5042   -8.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2167   -4.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2667   -9.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0667   -6.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0292   -9.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   -6.7417    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.7750  -10.9917    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.0667   -4.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1375   -6.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1375   -4.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2167   -6.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  5  1  0  0  0  0
  8  2  1  0  0  0  0
  9  6  2  0  0  0  0
 10  6  1  0  0  0  0
 11  3  2  0  0  0  0
 12  7  1  0  0  0  0
 13 10  1  0  0  0  0
 14 10  2  0  0  0  0
 15 12  1  0  0  0  0
 16 18  2  0  0  0  0
 17 23  2  0  0  0  0
 18 14  1  0  0  0  0
 19 13  2  0  0  0  0
 20 17  1  0  0  0  0
 21 16  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
 24 15  1  0  0  0  0
 25 15  2  0  0  0  0
  9  8  1  0  0  0  0
  7  4  2  0  0  0  0
 19 16  1  0  0  0  0
 17 22  1  0  0  0  0
M  END
>  <Mol_ID> (29)
29

>  <Formula> (29)
C19H12F2N2OS

>  <MolWeight> (29)
354.3731864

>  <COMPOUND_NAME> (29)
WAY-345073

>  <BAR_CODE_NO> (29)
2555394

$$$$
WAY-227884
csChFnd80/06171916322D

 19 20  0  0  0  0  0  0  0  0999 V2000
    2.9042   -4.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1417   -4.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8625   -2.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4125   -3.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4542   -5.4417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0792   -4.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1167   -2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042   -4.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5875   -2.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7542   -3.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5500   -3.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2292   -3.6417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9417   -3.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1000   -2.7667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6125   -1.6375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7292   -2.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2917   -2.8917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9167   -5.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0125   -5.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  7  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7 11  1  0  0  0  0
  8  6  2  0  0  0  0
  9  3  1  0  0  0  0
 10 13  1  0  0  0  0
 11 16  1  0  0  0  0
 12  4  1  0  0  0  0
 13 11  2  0  0  0  0
 14  4  2  0  0  0  0
 15  9  2  0  0  0  0
 16 12  1  0  0  0  0
 17  9  1  0  0  0  0
 18  2  1  0  0  0  0
 19  8  1  0  0  0  0
  5  8  1  0  0  0  0
  3 10  2  0  0  0  0
M  END
>  <Mol_ID> (30)
30

>  <Formula> (30)
C13H13NO5

>  <MolWeight> (30)
263.24602

>  <COMPOUND_NAME> (30)
WAY-227884

>  <BAR_CODE_NO> (30)
3915175

$$$$
WAY-312453
csChFnd80/06171916322D

 25 26  0  0  0  0  0  0  0  0999 V2000
    2.6276    0.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9931    0.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2690    0.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6276   -0.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3448    0.0793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9931    1.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2690    1.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6276   -1.4207    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.8931   -0.6655    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3931   -0.6655    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.7069    0.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6276    1.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0690    0.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7069    1.2172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5793    0.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2310    0.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8793    0.4034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5414    0.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5310   -0.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2069    0.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1793   -1.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8724   -1.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8310    0.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8310   -0.7448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4793   -1.1552    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
  7 12  2  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (31)
31

>  <Formula> (31)
C18H17ClF3NO2

>  <MolWeight> (31)
371.7812896

>  <COMPOUND_NAME> (31)
WAY-312453

>  <BAR_CODE_NO> (31)
3917090

$$$$
WAY-310954
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -0.6207   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0931   -0.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3448   -0.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6207   -1.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8414   -0.5172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1655    0.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0586   -0.6034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3379   -1.8483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000   -1.8414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3931    0.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9793    0.8103    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0586   -1.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7759   -0.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2138    0.0103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7759   -1.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4862   -0.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6931    0.6828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4862   -1.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2000   -0.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5172    0.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3552    1.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2000    0.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    1.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8276    2.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6552    2.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1414    2.6828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  2  0  0  0  0
 10 14  1  0  0  0  0
 12 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  2  0  0  0  0
 17 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  2  0  0  0  0
 23 25  2  0  0  0  0
 25 26  1  0  0  0  0
  8 12  1  0  0  0  0
 10 11  1  0  0  0  0
 16 18  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (32)
32

>  <Formula> (32)
C19H14N2O4S

>  <MolWeight> (32)
366.39046

>  <COMPOUND_NAME> (32)
WAY-310954

>  <BAR_CODE_NO> (32)
3915267

$$$$
WAY-311472
csChFnd80/06171916322D

 22 23  0  0  0  0  0  0  0  0999 V2000
   -1.2103   -0.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2069    0.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0241   -0.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9483   -0.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4828    1.0448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9103    1.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2241   -0.8241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3655   -1.3069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6586   -0.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2172    0.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6379    0.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3931   -1.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9414    1.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2103   -0.2483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1793   -1.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9621    1.8379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6207    1.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6483    0.5828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1552   -0.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9759   -1.4069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9310   -0.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4379   -0.7276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  0  0  0  0
 15 19  2  0  0  0  0
 15 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
  9 11  2  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (33)
33

>  <Formula> (33)
C17H20N2O3

>  <MolWeight> (33)
300.3523

>  <COMPOUND_NAME> (33)
WAY-311472

>  <BAR_CODE_NO> (33)
3915861

$$$$
WAY-311112
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -1.5483   -0.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7276   -0.7241    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5690    0.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3276   -0.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0897   -1.1448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1690   -1.5345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2897    0.0828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3690    1.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1276   -0.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8724   -0.6621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1483    0.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9517    0.2345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6897   -1.0241    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9690    1.0448    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.8517    0.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3103   -0.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3103    1.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2310   -0.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2310    1.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6897    0.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  8 11  2  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
  9 11  1  0  0  0  0
 15 16  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (34)
34

>  <Formula> (34)
C13H13FN2O2S2

>  <MolWeight> (34)
312.3829232

>  <COMPOUND_NAME> (34)
WAY-311112

>  <BAR_CODE_NO> (34)
3915461

$$$$
WAY-231670
csChFnd80/06171916322D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -1.0036    0.1895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2899    0.6067    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0002   -0.6416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7174    0.5998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4239    0.1964    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2933    1.4308    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0726   -0.1899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7174   -1.0554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4312    0.1860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1377    0.6101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4312   -0.6416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8550    0.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1450   -1.0519    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0722   -0.5933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5412    0.6481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8929   -0.6312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1791    0.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
  9 11  2  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (35)
35

>  <Formula> (35)
C11H10FNO3S

>  <MolWeight> (35)
255.2654032

>  <COMPOUND_NAME> (35)
WAY-231670

>  <BAR_CODE_NO> (35)
3918169

$$$$
CL-394792
csChFnd80/06171916322D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -0.5478    0.8791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5478   -0.3485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6237    1.4997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5901    0.8791    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6237   -0.9692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5177   -0.9692    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6926    0.8791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5901   -0.3485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6926   -0.3485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6237   -2.2072    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3892    1.8997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8857    0.5618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6625   -0.9692    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7315   -0.3485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8039   -0.9692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7315    0.8791    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
M  END
>  <Mol_ID> (36)
36

>  <Formula> (36)
C11H14N2O2S

>  <MolWeight> (36)
238.30606

>  <COMPOUND_NAME> (36)
CL-394792

>  <BAR_CODE_NO> (36)
3916699

$$$$
WAY-311250
csChFnd80/06171916322D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -0.7931    0.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2034   -0.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0345    0.3759    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2034    1.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0310   -0.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7931   -1.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8586    0.3759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0345    1.2034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0345   -0.4483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0310    1.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4414    0.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4414   -1.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2690   -0.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2655    0.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0966   -0.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5793   -1.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5793    0.3276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3621   -0.7517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3621    0.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  3  9  2  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  7 13  1  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 10 11  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (37)
37

>  <Formula> (37)
C14H17NO3S

>  <MolWeight> (37)
279.35468

>  <COMPOUND_NAME> (37)
WAY-311250

>  <BAR_CODE_NO> (37)
3915620

$$$$
WAY-215750
csChFnd80/06171916322D

 19 20  0  0  0  0  0  0  0  0999 V2000
    9.1825    1.6945    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.8570    1.6945    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4880    1.6945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3565    3.1405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1825    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1825    3.3790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1765    1.6945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6920    3.1405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4895    4.3925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8060    2.0275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000    3.6920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6535    0.2385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6535    3.1405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1740    1.6945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9940    0.2385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9540    3.1405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4795    1.6945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6450    0.2385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.2385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  8  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  2  0  0  0  0
  7  4  1  0  0  0  0
  8  2  1  0  0  0  0
  9  4  2  0  0  0  0
 10  7  1  0  0  0  0
 11  9  1  0  0  0  0
 12  3  2  0  0  0  0
 13  3  1  0  0  0  0
 14 16  1  0  0  0  0
 15 12  1  0  0  0  0
 16 13  2  0  0  0  0
 17 14  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 14 15  2  0  0  0  0
 10 11  2  0  0  0  0
M  END
>  <Mol_ID> (38)
38

>  <Formula> (38)
C13H15NO4S

>  <MolWeight> (38)
281.3275

>  <COMPOUND_NAME> (38)
WAY-215750

>  <BAR_CODE_NO> (38)
3914770

$$$$
WAY-345212
csChFnd80/06171916322D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -0.0724   -2.6312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8207   -1.3554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3793   -2.1692    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5414   -4.0795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0966   -0.1795    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4034   -1.5312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3724   -0.6071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1586   -4.2174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0414   -2.9519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6862    0.1067    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5172    1.6239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1069    2.2619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7931    2.5584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0069    1.3584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6414    3.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2448    2.3205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6931    3.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7690    1.8929    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
  5  7  1  0  0  0  0
  8  9  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (39)
39

>  <Formula> (39)
C12H11BrN2O2S

>  <MolWeight> (39)
327.19694

>  <COMPOUND_NAME> (39)
WAY-345212

>  <BAR_CODE_NO> (39)
2555732

$$$$
WAY-330076
csChFnd80/06171916322D

 18 19  0  0  0  0  0  0  0  0999 V2000
    7.5002    0.7986    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3755    1.6478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0408    1.2316    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6475    1.6065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2295    2.9506    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0079    2.1858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8291    2.9637    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.9691    1.1622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3266    3.5580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6694    1.7752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0207    2.0733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7545    3.4511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6553    2.7313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3714    0.4199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3460    1.6290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0404    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3206    2.3263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.9560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8  4  1  0  0  0  0
  9  6  2  0  0  0  0
 10  6  1  0  0  0  0
 11  8  1  0  0  0  0
 12 11  2  0  0  0  0
 13 10  2  0  0  0  0
 14 10  1  0  0  0  0
 15 11  1  0  0  0  0
 16 14  2  0  0  0  0
 17 13  1  0  0  0  0
 18 16  1  0  0  0  0
  5  7  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (40)
40

>  <Formula> (40)
C12H11N3O2S

>  <MolWeight> (40)
261.29964

>  <COMPOUND_NAME> (40)
WAY-330076

>  <BAR_CODE_NO> (40)
2572706

$$$$
WAY-312005
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -0.3000    1.3208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792    0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542    1.3458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6125    0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208    0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1792    0.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2792    2.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2458    0.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167    2.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8667    2.9333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9500    3.4208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792    1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5125    1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167    2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4625    0.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542    1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1625    0.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1208    1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0958    0.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6458   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3500    3.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333   -0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375   -0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  2  1  0  0  0  0
  8 10  1  0  0  0  0
  9  4  1  0  0  0  0
 10 16  2  0  0  0  0
 11  8  2  0  0  0  0
 12  8  1  0  0  0  0
 13  7  1  0  0  0  0
 14  9  2  0  0  0  0
 15  9  1  0  0  0  0
 16 20  1  0  0  0  0
 17 19  2  0  0  0  0
 18 21  1  0  0  0  0
 19 13  1  0  0  0  0
 20 13  2  0  0  0  0
 21 15  2  0  0  0  0
 22 14  1  0  0  0  0
 23 18  1  0  0  0  0
 24  5  1  0  0  0  0
 25  6  1  0  0  0  0
 26 12  1  0  0  0  0
 27 24  2  0  0  0  0
 28 27  1  0  0  0  0
  2  6  1  0  0  0  0
 18 22  2  0  0  0  0
 25 28  2  0  0  0  0
 10 17  1  0  0  0  0
M  END
>  <Mol_ID> (41)
41

>  <Formula> (41)
C22H18N4O2

>  <MolWeight> (41)
370.40392

>  <COMPOUND_NAME> (41)
WAY-312005

>  <BAR_CODE_NO> (41)
3916558

$$$$
WAY-311283
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
    0.2207    0.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7690    1.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2207    0.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3517    1.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7690    1.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3414    0.7103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7690   -0.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3517   -0.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9172    0.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1897    2.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3414    2.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3414    0.0897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7690   -0.9103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9172    0.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1897    2.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3414    2.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2207   -1.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7690    2.9897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2207   -1.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3517   -0.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7897    3.6241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3517   -2.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9517   -1.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9517   -1.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5172   -2.2103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5379   -2.8552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1103   -3.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9690   -3.1759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 14  2  0  0  0  0
 10 15  1  0  0  0  0
 11 16  2  0  0  0  0
 13 17  1  0  0  0  0
 15 18  2  0  0  0  0
 17 19  1  0  0  0  0
 17 20  2  0  0  0  0
 18 21  1  0  0  0  0
 19 22  2  0  0  0  0
 20 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
  7 12  1  0  0  0  0
  9 14  1  0  0  0  0
 16 18  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (42)
42

>  <Formula> (42)
C22H18N4O2

>  <MolWeight> (42)
370.40392

>  <COMPOUND_NAME> (42)
WAY-311283

>  <BAR_CODE_NO> (42)
3915654

$$$$
WAY-311172
csChFnd80/06171916322D

 32 35  0  0  0  0  0  0  0  0999 V2000
   -0.0862    0.3586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4690    0.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0862   -0.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6310    0.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4690    1.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0138    0.3586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4690   -0.6034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6310   -0.6034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1586    0.3586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0138    1.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0862    1.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0138   -0.3138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000   -1.2414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1586   -0.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0138    2.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0862    2.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0379   -1.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4690    2.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5897    2.6069    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6000   -1.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0103   -2.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4690    3.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1621    2.9276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9207    2.0448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2690    3.1655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1310   -1.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5517   -2.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1103   -2.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6655   -2.6345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6172   -3.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1517   -3.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0517   -3.5724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 14  2  0  0  0  0
 10 15  2  0  0  0  0
 11 16  1  0  0  0  0
 13 17  1  0  0  0  0
 15 18  1  0  0  0  0
 15 19  1  0  0  0  0
 17 20  2  0  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
 19 23  1  0  0  0  0
 19 24  2  0  0  0  0
 19 25  2  0  0  0  0
 20 26  1  0  0  0  0
 21 27  2  0  0  0  0
 26 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
  7 12  1  0  0  0  0
  9 14  1  0  0  0  0
 16 18  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (43)
43

>  <Formula> (43)
C23H21N5O3S

>  <MolWeight> (43)
447.50954

>  <COMPOUND_NAME> (43)
WAY-311172

>  <BAR_CODE_NO> (43)
3915534

$$$$
WAY-314667
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -0.2381    0.3444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0174    0.0824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4343   -0.1418    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0136    1.1237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6381    0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1761   -0.7245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0998    0.3444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8377    1.1341    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4243    0.3755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9623   -0.9797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8860    0.0962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5795   -0.4314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0481   -0.7038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4860    0.6582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3657   -0.6866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8377   -0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2757    0.3996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9761   -0.1521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4584   -0.4142    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  2  0  0  0  0
  7  8  1  0  0  0  0
 10 12  2  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (44)
44

>  <Formula> (44)
C16H14N2S

>  <MolWeight> (44)
266.36076

>  <COMPOUND_NAME> (44)
WAY-314667

>  <BAR_CODE_NO> (44)
1364314

$$$$
WAY-312305
csChFnd80/06171916322D

 15 16  0  0  0  0  0  0  0  0999 V2000
    0.2241    0.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0966    0.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3724   -0.4069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6931    1.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4069   -1.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1345    0.9931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5138    0.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0724    1.7724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7552   -1.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4862    0.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8655    0.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7966   -0.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9138    0.9345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1655   -1.3862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1483   -1.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  9 12  2  0  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 15  1  0  0  0  0
  7  8  2  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <Mol_ID> (45)
45

>  <Formula> (45)
C12H11NO2

>  <MolWeight> (45)
201.22124

>  <COMPOUND_NAME> (45)
WAY-312305

>  <BAR_CODE_NO> (45)
3916925

$$$$
WAY-310790
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -1.6897   -0.0897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5069   -0.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1931   -0.7517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2138    0.5759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9069   -0.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9276    0.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4138   -0.4897    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.4379   -1.5414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4276    0.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4759    1.3586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7276   -0.8276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5000   -1.5276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7414    0.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2621   -0.9655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1517   -0.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9138   -2.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9724   -0.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9621    0.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6862   -0.9517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6690    0.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -0.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3862    0.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1069    0.7103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0931    1.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8241    0.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    1.9517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5379    0.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5241    1.5483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
  7  9  1  0  0  0  0
 13 15  2  0  0  0  0
 21 22  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (46)
46

>  <Formula> (46)
C21H23N3O4

>  <MolWeight> (46)
381.42502

>  <COMPOUND_NAME> (46)
WAY-310790

>  <BAR_CODE_NO> (46)
3915064

$$$$
WAY-310826
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -0.6241    0.5310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5828    0.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0448    1.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3655   -0.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3241    0.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5655    1.8517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6241    2.1690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9759    1.3517    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6172   -0.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0655   -1.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1241   -0.7897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2828    0.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4759    0.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8759   -1.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8034   -2.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8655   -1.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0241   -0.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4966    0.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1759   -2.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8241   -1.1483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9966    1.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9966   -0.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0172    1.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9966   -0.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4966    0.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 17  2  0  0  0  0
 13 18  1  0  0  0  0
 14 19  2  0  0  0  0
 16 20  2  0  0  0  0
 18 21  2  0  0  0  0
 18 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  2  0  0  0  0
  6  7  1  0  0  0  0
 15 19  1  0  0  0  0
 17 20  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (47)
47

>  <Formula> (47)
C20H16N4S

>  <MolWeight> (47)
344.43284

>  <COMPOUND_NAME> (47)
WAY-310826

>  <BAR_CODE_NO> (47)
3915106

$$$$
WAY-234504
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -1.7098    0.6851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9133    1.6023    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8512    1.1575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5305   -0.5770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3005    1.4161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5443    2.6989    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7512    2.4230    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8719    0.3989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5478   -1.3666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4350    0.1541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7133   -0.8804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5902   -0.3735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6202   -0.5873    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7143   -1.6390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6246    0.3644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8729   -2.1666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7867   -0.1563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9108   -1.4287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8177   -1.7252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  8 11  2  0  0  0  0
 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
  6  7  2  0  0  0  0
  9 11  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (48)
48

>  <Formula> (48)
C15H13N3O

>  <MolWeight> (48)
251.28322

>  <COMPOUND_NAME> (48)
WAY-234504

>  <BAR_CODE_NO> (48)
3917795

$$$$
WAY-311914
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.8726    0.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8726   -0.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0170    0.6483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6933    0.8241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0170   -0.8759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6933   -1.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5757   -0.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3446    1.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5105    0.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3446   -1.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5105   -0.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5170   -0.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3071    2.2586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2550    1.7483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3726    0.8103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2688   -1.9414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0105    3.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9446   -1.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7308   -2.8241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6312    3.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7895   -1.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6688   -2.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  2  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 13 17  1  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
  5  7  1  0  0  0  0
  9 11  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (49)
49

>  <Formula> (49)
C17H17NO4

>  <MolWeight> (49)
299.32118

>  <COMPOUND_NAME> (49)
WAY-311914

>  <BAR_CODE_NO> (49)
3916442

$$$$
GI-514969
csChFnd80/06171916322D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -0.8491    0.9877    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5337    1.3463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3732   -0.3364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6146    2.1981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6406    0.4291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6233    2.7739    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7905   -0.5502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4836   -1.4606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7042    3.3015    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0456    2.2843    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3992   -0.9744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9820    0.9325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3180   -1.8813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0111   -2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5061   -1.8882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0854    0.0256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4284   -3.0054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8475   -1.3882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 15 18  1  0  0  0  0
  6  9  1  0  0  0  0
 14 17  2  0  0  0  0
 16 18  2  0  0  0  0
M  END
>  <Mol_ID> (50)
50

>  <Formula> (50)
C14H11N3S

>  <MolWeight> (50)
253.32224

>  <COMPOUND_NAME> (50)
GI-514969

>  <BAR_CODE_NO> (50)
3918017

$$$$
WAY-310813
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -2.2932    0.3762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2932    1.2003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5794   -0.0307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0070   -0.0376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5794    1.6175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0070    1.6141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8760    0.3762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7277    0.3762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8691    1.2072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7173    1.2003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1553   -0.0376    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5551    0.3762    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5760   -0.7480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2482   -0.7480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2689   -0.0238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9827    0.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2723   -0.8480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6930   -0.0204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9861   -1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6999   -0.8376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4206   -1.2480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1309   -0.8238    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4240   -2.0721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  2  0  0  0  0
 12 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
  7  9  2  0  0  0  0
  8 10  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (51)
51

>  <Formula> (51)
C15H14N2O5S

>  <MolWeight> (51)
334.34706

>  <COMPOUND_NAME> (51)
WAY-310813

>  <BAR_CODE_NO> (51)
3915092

$$$$
WAY-345534
csChFnd80/06171916322D

 30 32  0  0  0  0  0  0  0  0999 V2000
    6.2792   -3.1542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.3042   -3.1292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8292   -4.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9125   -5.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500   -3.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4042   -4.8292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -5.7042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8542   -3.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2500   -2.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3042   -4.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9792   -5.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9292   -5.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3875   -4.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3500   -4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4042   -6.5917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7542   -4.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7167   -2.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8750   -5.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4292   -4.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4375   -6.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9667   -5.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8917   -5.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2125   -3.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4542   -6.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4542   -4.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7042   -2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7375   -4.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1792   -3.2542    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.3250   -4.9167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8292   -5.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  6  1  0  0  0  0
  5  1  1  0  0  0  0
  6 13  1  0  0  0  0
  7 11  3  0  0  0  0
  8  3  2  0  0  0  0
  9  1  2  0  0  0  0
 10  1  2  0  0  0  0
 11 21  1  0  0  0  0
 12  4  1  0  0  0  0
 13  8  1  0  0  0  0
 14  3  1  0  0  0  0
 15  4  2  0  0  0  0
 16  5  1  0  0  0  0
 17  5  2  0  0  0  0
 18 14  2  0  0  0  0
 19 12  2  0  0  0  0
 20 12  1  0  0  0  0
 21 24  1  0  0  0  0
 22 18  1  0  0  0  0
 23 26  2  0  0  0  0
 24 20  2  0  0  0  0
 25 19  1  0  0  0  0
 26 17  1  0  0  0  0
 27 16  2  0  0  0  0
 28 23  1  0  0  0  0
 29 14  1  0  0  0  0
 30 29  1  0  0  0  0
 27 23  1  0  0  0  0
 22 13  2  0  0  0  0
 25 21  2  0  0  0  0
M  END
>  <Mol_ID> (52)
52

>  <Formula> (52)
C21H16FN3O4S

>  <MolWeight> (52)
425.4328432

>  <COMPOUND_NAME> (52)
WAY-345534

>  <BAR_CODE_NO> (52)
2555785

$$$$
WAY-310924-A
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
    1.1650    0.1832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2547    0.1832    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6029    0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6167   -0.5755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833    0.9452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2108   -0.5893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1650    1.7349    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5167    0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5167   -0.5755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2547    1.7349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0626    0.9452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833   -0.5893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2374   -1.3858    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9547    0.2107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9547   -1.3651    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833    2.5142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5143    1.7142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5350    0.1832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4892   -2.1410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0626    2.5142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4350    0.1832    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9374   -2.9030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6029   -2.1410    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8764    0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8764   -0.5755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4892   -3.6893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7626    0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7626   -0.5755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2108    0.2107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 11 17  2  0  0  0  0
 12 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  2  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 19 23  2  0  0  0  0
 21 24  1  0  0  0  0
 21 25  1  0  0  0  0
 22 26  1  0  0  0  0
 24 27  1  0  0  0  0
 25 28  1  0  0  0  0
 27 29  1  0  0  0  0
  7 10  1  0  0  0  0
  9 14  2  0  0  0  0
 17 20  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (53)
53

>  <Formula> (53)
C21H23N3O4S

>  <MolWeight> (53)
413.49002

>  <COMPOUND_NAME> (53)
WAY-310924-A

>  <BAR_CODE_NO> (53)
3915226

$$$$
WAY-313004
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -2.3001    0.7627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7967   -0.1132    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7967    1.6454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3208    0.7627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2829   -0.9925    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9139    0.3972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6760   -0.6408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3001    2.5247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8208    1.6454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2760   -0.9925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3208    2.5247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2620   -1.8753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2620   -0.1132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8208    3.4075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2758   -1.8753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2758   -0.1132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792   -0.9925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7930   -0.9925    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2758   -0.1132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2758   -1.8753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3171   -0.1132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3171   -1.8753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7930   -0.9925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  8 11  2  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
 15 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
  9 11  1  0  0  0  0
 16 17  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (54)
54

>  <Formula> (54)
C17H20N2O3S

>  <MolWeight> (54)
332.4173

>  <COMPOUND_NAME> (54)
WAY-313004

>  <BAR_CODE_NO> (54)
3917773

$$$$
WAY-314481
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -0.4138   -0.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000   -0.8069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3793    0.2448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1862   -1.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6552   -0.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4000   -1.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1483    0.5207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3000    0.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0138   -1.9552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4793   -0.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8034   -2.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3862    1.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0448    0.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3132   -0.0582    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7345    0.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1000   -0.4793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    0.5207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7621    1.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0138    1.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5517    1.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
 10 14  3  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
  5  7  2  0  0  0  0
  9 11  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (55)
55

>  <Formula> (55)
C16H17N3O

>  <MolWeight> (55)
267.32568

>  <COMPOUND_NAME> (55)
WAY-314481

>  <BAR_CODE_NO> (55)
1364128

$$$$
WAY-311204
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.5276    0.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2414   -0.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7034    0.9103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1828   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8517    0.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2414   -1.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5207    0.9897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1517    1.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1828   -1.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6586    0.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5276   -1.5483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9310    1.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6552    1.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4586   -0.1379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9103    0.5655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2103    1.9655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7207    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9724   -0.3897    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.4931   -1.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7586   -0.6379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9724   -1.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7586   -1.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
 10 14  3  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
  5  7  2  0  0  0  0
  9 11  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (56)
56

>  <Formula> (56)
C17H19N3O2

>  <MolWeight> (56)
297.35166

>  <COMPOUND_NAME> (56)
WAY-311204

>  <BAR_CODE_NO> (56)
3915568

$$$$
WAY-343866
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
   11.7292   -9.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0792   -6.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3125   -8.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9625   -6.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3667   -8.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3250   -1.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3042   -3.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1167   -5.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5417  -11.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0792  -12.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0875  -14.6917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2667   -3.5417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1625   -1.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8917  -15.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2292   -5.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3375   -5.2625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8750  -12.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -13.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0625   -3.5167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4625   -8.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1042   -9.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1125   -3.6292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4917   -0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667    0.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3750    1.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2167    1.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  1  1  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7 12  1  0  0  0  0
  8  2  1  0  0  0  0
  9  1  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 15  1  0  0  0  0
 13  6  2  0  0  0  0
 14 11  1  0  0  0  0
 15  8  1  0  0  0  0
 16  7  2  0  0  0  0
 17 10  2  0  0  0  0
 18 17  1  0  0  0  0
 19  8  2  0  0  0  0
 20  3  1  0  0  0  0
 21  5  1  0  0  0  0
 22 13  1  0  0  0  0
 23  6  1  0  0  0  0
 24 13  1  0  0  0  0
 25 23  2  0  0  0  0
 26 25  1  0  0  0  0
  4  2  1  0  0  0  0
 14 18  2  0  0  0  0
 24 26  2  0  0  0  0
M  END
>  <Mol_ID> (57)
57

>  <Formula> (57)
C20H19NO4S

>  <MolWeight> (57)
369.43416

>  <COMPOUND_NAME> (57)
WAY-343866

>  <BAR_CODE_NO> (57)
2554030

$$$$
WAY-311662
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.4310   -1.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6793   -1.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3966   -1.1034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9793   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0172   -2.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4931   -2.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6448   -1.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8828   -0.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7759   -0.6621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0172   -3.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0310   -1.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5448    0.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6966   -3.6138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0310    0.9655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2759    0.3966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6966    1.7172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1828    2.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1172    1.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8448    3.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4552    2.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0207    3.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3310    3.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  8 12  1  0  0  0  0
 10 13  2  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
  5  7  2  0  0  0  0
  9 11  2  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (58)
58

>  <Formula> (58)
C18H16N2O2

>  <MolWeight> (58)
292.33184

>  <COMPOUND_NAME> (58)
WAY-311662

>  <BAR_CODE_NO> (58)
3916109

$$$$
WAY-312118
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
    1.4759    0.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4759    0.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9138   -0.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0621   -0.1655    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9138    0.9552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0621    0.8345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3759    0.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4138    0.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3759    0.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1621   -0.3034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0483    0.3172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7034    0.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2379   -0.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7034    0.6345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862    0.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2379   -0.9207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3241   -0.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862   -1.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3241   -0.9207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8621   -0.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  7 10  1  0  0  0  0
  8 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (59)
59

>  <Formula> (59)
C15H10O4S

>  <MolWeight> (59)
286.3025

>  <COMPOUND_NAME> (59)
WAY-312118

>  <BAR_CODE_NO> (59)
3916695

$$$$
CL-408860
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
    6.9236    6.9584    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4145    6.3369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7407    6.9584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4682    7.6576    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6376    6.6315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5351    5.5224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1532    7.6844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1532    6.2538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6912    7.4379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.1171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8948    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9838    7.6710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9838    6.2431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1367    5.3054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3963    6.9423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4098    8.3863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2456    6.9209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8375    9.1046    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0793    6.8998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  2  0  0  0  0
 10 14  1  0  0  0  0
 12 15  2  0  0  0  0
 12 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  3  0  0  0  0
 17 19  3  0  0  0  0
  5  9  1  0  0  0  0
 11 14  2  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <Mol_ID> (60)
60

>  <Formula> (60)
C14H7N5

>  <MolWeight> (60)
245.23888

>  <COMPOUND_NAME> (60)
CL-408860

>  <BAR_CODE_NO> (60)
3917890

$$$$
WAY-344962
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
   13.8917   -5.7667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8875   -4.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8875   -5.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2375   -3.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1417   -4.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5042   -4.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8917   -4.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3292   -4.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1417   -3.8625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9750   -5.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9792   -3.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0667   -4.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1375   -5.5917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4167   -3.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0542   -5.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2167   -6.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3250   -5.4917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2375   -2.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5625   -4.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3292   -3.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4792   -4.4167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3375   -2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4167   -2.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3875   -6.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5542   -3.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5125   -7.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3792   -3.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -3.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5  9  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  2  0  0  0  0
  8  4  1  0  0  0  0
  9 12  1  0  0  0  0
 10  3  1  0  0  0  0
 11  2  1  0  0  0  0
 12 15  1  0  0  0  0
 13  5  2  0  0  0  0
 14  8  2  0  0  0  0
 15 10  2  0  0  0  0
 16  1  1  0  0  0  0
 17  8  1  0  0  0  0
 18  4  2  0  0  0  0
 19  6  1  0  0  0  0
 20  7  1  0  0  0  0
 21 14  1  0  0  0  0
 22 18  1  0  0  0  0
 23 22  2  0  0  0  0
 24 17  1  0  0  0  0
 25 21  1  0  0  0  0
 26 16  1  0  0  0  0
 27 28  1  0  0  0  0
 28 19  2  0  0  0  0
  7  2  1  0  0  0  0
 20 27  2  0  0  0  0
 12 11  2  0  0  0  0
 23 14  1  0  0  0  0
M  END
>  <Mol_ID> (61)
61

>  <Formula> (61)
C23H22N2O3

>  <MolWeight> (61)
374.43238

>  <COMPOUND_NAME> (61)
WAY-344962

>  <BAR_CODE_NO> (61)
2555211

$$$$
WAY-117180
csChFnd80/06171916322D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.5440    1.1933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5836    0.5347    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5061    2.4761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6337    0.5140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6836   -0.0964    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2249    1.6347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0440   -0.5550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5958    3.1036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7268    1.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6836   -1.3550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7268    2.4554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5939   -1.9653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7732   -1.9653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8164    3.0864    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5939   -3.1860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7732   -3.1860    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6836   -3.8343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  8 11  2  0  0  0  0
 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  2  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
  9 11  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (62)
62

>  <Formula> (62)
C11H9FN2O2S

>  <MolWeight> (62)
252.2647632

>  <COMPOUND_NAME> (62)
WAY-117180

>  <BAR_CODE_NO> (62)
3917036

$$$$
WAY-239279
csChFnd80/06171916322D

 19 20  0  0  0  0  0  0  0  0999 V2000
  -11.7130   11.4990    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5570   12.7470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4940    2.7865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.8690   10.2755    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3430   15.2055    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6750    4.0475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9615   13.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4270    9.3300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1490   11.7885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.8690    7.7795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7130    6.5060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9095   15.7860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5855   13.6925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7295    0.6305    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3380    1.5760    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2710    5.0180    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  -13.8060    2.7610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.9875    4.0095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0000    6.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  6  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6 11  2  0  0  0  0
  7  1  2  0  0  0  0
  8  1  2  0  0  0  0
  9  2  2  0  0  0  0
 10  4  1  0  0  0  0
 11 10  1  0  0  0  0
 12  5  1  0  0  0  0
 13  9  1  0  0  0  0
 14  3  1  0  0  0  0
 15  3  1  0  0  0  0
 16  3  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 10  2  0  0  0  0
 13 12  2  0  0  0  0
 17  6  1  0  0  0  0
M  END
>  <Mol_ID> (63)
63

>  <Formula> (63)
C11H8F3NO2S2

>  <MolWeight> (63)
307.3119296

>  <COMPOUND_NAME> (63)
WAY-239279

>  <BAR_CODE_NO> (63)
3914989

$$$$
WAY-312308
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -2.9862   -0.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4517   -1.2241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3966    0.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1345   -0.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000   -1.2552    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9517    1.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2345    0.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6655    0.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7517   -1.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1345   -1.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2724   -0.0931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3138   -2.3793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0483    1.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4345   -0.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4345   -2.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5862    2.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5517   -0.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5517   -2.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1138   -1.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0345   -1.2759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6000   -0.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0138    0.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7483   -0.2931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000    1.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9000    0.8241    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6517    2.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6862    1.9448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  5 12  2  0  0  0  0
  6 13  2  0  0  0  0
 10 14  2  0  0  0  0
 10 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  2  0  0  0  0
 17 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
 22 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
  8 13  1  0  0  0  0
 18 19  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <Mol_ID> (64)
64

>  <Formula> (64)
C20H20N2O3S2

>  <MolWeight> (64)
400.5144

>  <COMPOUND_NAME> (64)
WAY-312308

>  <BAR_CODE_NO> (64)
3916928

$$$$
WAY-344224
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
   13.0917   -5.6542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.5875   -4.7792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.6042   -6.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9750   -5.1542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2167   -6.1625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1167   -9.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6125   -8.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0167   -2.1292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.6125   -6.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0917   -7.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6000   -8.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1250   -7.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5750   -4.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5542   -4.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5417   -4.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0542   -5.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0667   -3.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0500   -5.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0542   -3.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0375   -3.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6292  -10.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2417   -9.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5167   -3.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0375   -2.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0250   -3.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5417   -3.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  1  2  0  0  0  0
  6  7  1  0  0  0  0
  7 11  1  0  0  0  0
  8 25  1  0  0  0  0
  9  3  2  0  0  0  0
 10  3  1  0  0  0  0
 11 10  2  0  0  0  0
 12  9  1  0  0  0  0
 13  2  1  0  0  0  0
 14 19  2  0  0  0  0
 15 14  1  0  0  0  0
 16 13  1  0  0  0  0
 17 13  2  0  0  0  0
 18 16  2  0  0  0  0
 19 17  1  0  0  0  0
 20 15  1  0  0  0  0
 21  6  1  0  0  0  0
 22  6  1  0  0  0  0
 23  6  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  2  0  0  0  0
 26 20  2  0  0  0  0
 27 20  1  0  0  0  0
 12  7  2  0  0  0  0
 14 18  1  0  0  0  0
  8 24  2  0  0  0  0
M  END
>  <Mol_ID> (65)
65

>  <Formula> (65)
C22H24N2O2S

>  <MolWeight> (65)
380.50316

>  <COMPOUND_NAME> (65)
WAY-344224

>  <BAR_CODE_NO> (65)
2554572

$$$$
WAY-310480
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
    1.7371    1.5972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7716    1.8765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9785    0.6214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4543    2.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0578    1.1800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5336    2.8455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2543   -0.0717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2198    3.2593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2957    0.2076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2612    3.5386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2284   -0.6476    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2319   -0.6235    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2526   -1.6338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2147    0.3765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2353   -0.6062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1353   -2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4009   -2.1545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1526   -3.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4181   -3.1614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2940   -3.6476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 12 15  2  0  0  0  0
 13 16  1  0  0  0  0
 13 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (66)
66

>  <Formula> (66)
C14H13NO4S

>  <MolWeight> (66)
291.32232

>  <COMPOUND_NAME> (66)
WAY-310480

>  <BAR_CODE_NO> (66)
3914702

$$$$
WAY-345079
csChFnd80/06171916322D

 14 15  0  0  0  0  0  0  0  0999 V2000
    0.4624    0.5522    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7726   -0.4650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0933    1.4350    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5757    0.9143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0623   -1.2478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8106   -0.6995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4624    2.3143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5377    2.0005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4964    0.3005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2934   -2.2995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0170   -1.1581    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7934    3.3591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6550   -2.8581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4688   -2.1478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  7 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
  7  8  1  0  0  0  0
 13 14  2  0  0  0  0
M  END
>  <Mol_ID> (67)
67

>  <Formula> (67)
C10H10N2OS

>  <MolWeight> (67)
206.2642

>  <COMPOUND_NAME> (67)
WAY-345079

>  <BAR_CODE_NO> (67)
2555401

$$$$
WAY-344225
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   12.9792   -5.6042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.4875   -6.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4792   -4.7375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.4875   -6.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9917   -7.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8542   -5.1042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1042   -6.1042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4875   -8.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9875   -7.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9625   -2.1167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4875   -8.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4750   -4.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.3542    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.4667   -4.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9917   -9.1000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.4667   -4.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9667   -3.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9542   -5.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9667   -3.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9625   -5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9667   -3.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4667   -2.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9667   -2.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9625   -3.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4667   -2.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  4  1  0  0  0  0
  6  1  2  0  0  0  0
  7  1  2  0  0  0  0
  8 11  1  0  0  0  0
  9  2  1  0  0  0  0
 10 23  1  0  0  0  0
 11  9  2  0  0  0  0
 12  3  1  0  0  0  0
 13  5  1  0  0  0  0
 14 20  1  0  0  0  0
 15  8  1  0  0  0  0
 16 14  1  0  0  0  0
 17 12  2  0  0  0  0
 18 12  1  0  0  0  0
 19 17  1  0  0  0  0
 20 18  2  0  0  0  0
 21 16  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 21  2  0  0  0  0
 25 21  1  0  0  0  0
 14 19  2  0  0  0  0
  5  8  2  0  0  0  0
 10 22  2  0  0  0  0
M  END
>  <Mol_ID> (68)
68

>  <Formula> (68)
C18H14Cl2N2O2S

>  <MolWeight> (68)
393.28696

>  <COMPOUND_NAME> (68)
WAY-344225

>  <BAR_CODE_NO> (68)
2554573

$$$$
WAY-312286
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -2.2967   -0.5141    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4760   -0.4969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7656    0.1273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7760   -1.2175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0829    0.2238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0518   -1.2072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5587   -0.1175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4967    0.9135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5587   -0.9451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5277   -2.0106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2553    0.2411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2277   -1.1934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1758   -0.4693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9965   -0.4555    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.8171   -0.4382    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9861    0.3687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0068   -1.2796    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2171    0.2859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7861    0.9859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0413    0.2963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1827    1.7066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4413    1.0238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0068    1.7273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4171    2.4445    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  2  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
  7  9  1  0  0  0  0
 12 13  2  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (69)
69

>  <Formula> (69)
C16H13BrN2O4S

>  <MolWeight> (69)
409.25442

>  <COMPOUND_NAME> (69)
WAY-312286

>  <BAR_CODE_NO> (69)
3916901

$$$$
WAY-345128
csChFnd80/06171916322D

 34 37  0  0  0  0  0  0  0  0999 V2000
    7.1417   -4.3542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.1292   -3.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6750   -2.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0167   -3.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6875   -4.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5917   -5.3250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.7792   -2.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4667   -2.4292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7042   -3.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3542   -2.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8042   -3.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4792   -5.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7875   -4.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3375   -3.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1167   -4.9125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1792   -3.8042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1167   -1.4625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7917   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4542   -4.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9375   -6.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1417   -2.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6875   -1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3292   -0.4875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4917   -7.2417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9292   -4.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3417   -5.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4375   -3.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8292   -6.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4417   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5917   -7.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8292   -4.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4500   -5.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -4.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2792   -5.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  2  1  0  0  0  0
  4  8  1  0  0  0  0
  5  2  2  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8 10  1  0  0  0  0
  9  1  1  0  0  0  0
 10 11  1  0  0  0  0
 11  9  2  0  0  0  0
 12  6  1  0  0  0  0
 13  5  1  0  0  0  0
 14 13  2  0  0  0  0
 15  1  2  0  0  0  0
 16  1  2  0  0  0  0
 17  3  2  0  0  0  0
 18 22  1  0  0  0  0
 19  4  2  0  0  0  0
 20 12  1  0  0  0  0
 21  9  1  0  0  0  0
 22 21  2  0  0  0  0
 23 18  1  0  0  0  0
 24 20  1  0  0  0  0
 25 12  2  0  0  0  0
 26 13  1  0  0  0  0
 27 14  1  0  0  0  0
 28 20  2  0  0  0  0
 29 23  1  0  0  0  0
 30 24  1  0  0  0  0
 31 25  1  0  0  0  0
 32 26  2  0  0  0  0
 33 32  1  0  0  0  0
 34 31  2  0  0  0  0
 18 10  2  0  0  0  0
 28 34  1  0  0  0  0
  7 14  1  0  0  0  0
 33 27  2  0  0  0  0
M  END
>  <Mol_ID> (70)
70

>  <Formula> (70)
C24H20N2O7S

>  <MolWeight> (70)
480.4898

>  <COMPOUND_NAME> (70)
WAY-345128

>  <BAR_CODE_NO> (70)
2555404

$$$$
WAY-311082
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
    0.5690    0.3586    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.3759   -0.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4690   -0.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5690    1.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2931    0.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3759   -1.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3690    0.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4690   -1.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3759    1.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5069    1.9483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2138   -0.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2931    1.4276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2931   -1.7517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5690   -1.7897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2862   -0.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3690   -1.7724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3655    3.0345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4483    2.4655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2138   -1.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1138    0.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2862   -1.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2069    0.3655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1310   -1.7517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0310   -0.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0310   -1.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  2  0  0  0  0
  7 15  2  0  0  0  0
  8 16  1  0  0  0  0
  9 17  1  0  0  0  0
 10 18  3  0  0  0  0
 11 19  2  0  0  0  0
 11 20  1  0  0  0  0
 15 21  1  0  0  0  0
 15 22  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  2  0  0  0  0
 23 25  2  0  0  0  0
  9 12  1  0  0  0  0
 13 19  1  0  0  0  0
 16 21  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (71)
71

>  <Formula> (71)
C19H12N2O4

>  <MolWeight> (71)
332.30958

>  <COMPOUND_NAME> (71)
WAY-311082

>  <BAR_CODE_NO> (71)
3915429

$$$$
WAY-313126
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -1.3791    1.1810    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8083    1.8519    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4625    2.5477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167   -2.1106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0209   -1.4356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2167   -2.1565    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3875   -2.9315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7541    3.2560    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1584   -2.8231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9375    0.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2625   -1.4356    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7000    2.6019    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7500   -3.3106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7166    1.6227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0208    0.7727    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1291    3.7685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3834   -0.7648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5250    3.3727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3041   -0.1273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1416    0.5435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1416   -0.7856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0667   -3.2773    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.2625   -0.1065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9041   -0.7856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  5  1  0  0  0  0
  5 11  1  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  3  2  0  0  0  0
  9  4  2  0  0  0  0
 10  1  1  0  0  0  0
 11 21  1  0  0  0  0
 12  3  1  0  0  0  0
 13  9  1  0  0  0  0
 14  1  2  0  0  0  0
 15  1  2  0  0  0  0
 16  8  1  0  0  0  0
 17  5  2  0  0  0  0
 18 12  1  0  0  0  0
 19 10  2  0  0  0  0
 20 10  1  0  0  0  0
 21 23  1  0  0  0  0
 22  7  1  0  0  0  0
 23 20  2  0  0  0  0
 24 19  1  0  0  0  0
 21 24  2  0  0  0  0
 18 16  2  0  0  0  0
 13  7  2  0  0  0  0
M  END
>  <Mol_ID> (72)
72

>  <Formula> (72)
C14H10BrN3O4S2

>  <MolWeight> (72)
428.2809

>  <COMPOUND_NAME> (72)
WAY-313126

>  <BAR_CODE_NO> (72)
3917927

$$$$
WAY-311734
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -0.7448    0.3310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5448    0.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1759    0.9828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5655   -0.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3069    0.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4655    1.5310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6345    1.7207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7034    0.9103    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2655   -0.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0345    0.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3345   -0.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0759    0.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9759   -0.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5448   -1.5793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7966    0.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1069   -1.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9552    0.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6759   -0.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4138   -1.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8345   -0.5483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4345    0.7828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3241   -0.7276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3034    0.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2034   -0.7897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6759   -0.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  2  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  2  0  0  0  0
 12 17  1  0  0  0  0
 13 18  1  0  0  0  0
 14 19  1  0  0  0  0
 15 20  2  0  0  0  0
 17 21  2  0  0  0  0
 17 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  2  0  0  0  0
  6  7  1  0  0  0  0
 16 20  1  0  0  0  0
 18 19  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (73)
73

>  <Formula> (73)
C19H16N4OS

>  <MolWeight> (73)
348.42154

>  <COMPOUND_NAME> (73)
WAY-311734

>  <BAR_CODE_NO> (73)
3916212

$$$$
WAY-313204
csChFnd80/06171916322D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -0.5865   -0.0794    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2072   -0.5623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0756   -0.5312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5934    0.6965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9555   -0.3554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9451   -1.2933    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1451   -1.2933    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8307   -0.3243    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3555    1.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0307    1.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2555    0.4068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5727   -0.8416    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4066   -0.8933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3451    1.8447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0066    1.8965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0348    0.3378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2451   -0.4140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1652   -0.7036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6727    2.2758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3652    0.0585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7135   -1.2623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1307    0.2585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4825   -1.0554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7066   -0.3036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 13 18  1  0  0  0  0
 14 19  2  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
  6  7  1  0  0  0  0
 15 19  1  0  0  0  0
 16 17  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (74)
74

>  <Formula> (74)
C19H15N3OS

>  <MolWeight> (74)
333.4069

>  <COMPOUND_NAME> (74)
WAY-313204

>  <BAR_CODE_NO> (74)
3918028

$$$$
WAY-311389
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -0.5103    0.1103    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.2241   -0.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2034   -0.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5103    0.9414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2241   -1.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9345    0.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2034   -1.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9310    0.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1828    1.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1552    1.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5103   -1.5483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9345   -1.5483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6621   -0.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9345    0.9414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9310   -1.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6517   -0.3034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9310    0.9414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9310    2.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0966    2.2241    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6621   -1.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3655    0.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0759   -0.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7897    0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0759   -1.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  2  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  2  0  0  0  0
  9 18  2  0  0  0  0
 10 19  1  0  0  0  0
 12 20  1  0  0  0  0
 16 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
  7 11  1  0  0  0  0
 13 20  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (75)
75

>  <Formula> (75)
C19H23NO3S

>  <MolWeight> (75)
345.45582

>  <COMPOUND_NAME> (75)
WAY-311389

>  <BAR_CODE_NO> (75)
3915768

$$$$
WAY-311287
csChFnd80/06171916322D

 33 37  0  0  0  0  0  0  0  0999 V2000
    0.1448    0.2034    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.5621   -0.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8586   -0.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1414    1.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5621   -1.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2759    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8586   -1.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5793    0.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8655    1.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5897    1.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2759   -1.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1448   -1.4552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9931   -0.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2759    1.0276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5793   -1.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2931   -0.2103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5793    1.0310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8621    2.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5931    2.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9931   -1.0379    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.0000    0.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1379    2.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5759    2.7207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7069   -1.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7483   -0.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0759    1.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4103   -1.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7034   -2.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2897    0.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8724    1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1241   -1.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4069   -2.6759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1276   -2.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  2  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  2  0  0  0  0
  9 18  1  0  0  0  0
 10 19  2  0  0  0  0
 11 20  1  0  0  0  0
 16 21  1  0  0  0  0
 18 22  2  0  0  0  0
 18 23  1  0  0  0  0
 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
 21 26  1  0  0  0  0
 24 27  2  0  0  0  0
 24 28  1  0  0  0  0
 25 29  1  0  0  0  0
 26 30  1  0  0  0  0
 27 31  1  0  0  0  0
 28 32  2  0  0  0  0
 31 33  2  0  0  0  0
  7 12  1  0  0  0  0
 13 20  1  0  0  0  0
 19 22  1  0  0  0  0
 29 30  1  0  0  0  0
 32 33  1  0  0  0  0
M  END
>  <Mol_ID> (76)
76

>  <Formula> (76)
C28H29NO4

>  <MolWeight> (76)
443.53416

>  <COMPOUND_NAME> (76)
WAY-311287

>  <BAR_CODE_NO> (76)
3915658

$$$$
WAY-312779-A
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
    1.9833    2.4900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3971    1.9589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6660    3.1279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7798    2.3969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3971    1.1279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7453    2.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9315    3.0969    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1177    3.8072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2177    3.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6798    0.7175    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8833    3.7451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6971   -0.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0547    1.1072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0029   -0.5411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7650    0.6796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7340   -0.1549    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4547   -0.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4547   -1.3928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1202   -1.7721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7892   -1.7721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1029   -2.5342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8167   -1.4031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7823   -2.5411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4547   -2.9100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8202   -0.6549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1167   -2.9342    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4409   -3.7100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5350   -2.5549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1202   -4.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  8 11  2  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
 23 26  1  0  0  0  0
 24 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
  6  7  1  0  0  0  0
  9 11  1  0  0  0  0
 15 16  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (77)
77

>  <Formula> (77)
C23H29N3O3

>  <MolWeight> (77)
395.49466

>  <COMPOUND_NAME> (77)
WAY-312779-A

>  <BAR_CODE_NO> (77)
3917485

$$$$
WAY-311386
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -1.2448    0.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2448   -0.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5310    0.6621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9552    0.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5207   -0.9966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9552   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1828    0.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5345    1.4862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6690    0.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1931   -0.5759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6690   -0.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8931    0.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3862    0.6483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9069   -0.9897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6207    0.2621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3931    1.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6552   -0.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3138    0.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3897   -0.9379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0448    0.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0828   -0.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8138   -0.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
  7 10  1  0  0  0  0
  9 11  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (78)
78

>  <Formula> (78)
C18H24N2O2

>  <MolWeight> (78)
300.39536

>  <COMPOUND_NAME> (78)
WAY-311386

>  <BAR_CODE_NO> (78)
3915765

$$$$
WAY-310957
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -0.3517   -0.4345    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.3310    0.5793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5483   -0.9414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2069   -0.9207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2069    1.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5483    1.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5138   -1.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000   -0.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0724   -0.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0724    0.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2069    2.0793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5414    2.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3483   -2.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2931   -0.9931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9310   -0.9207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9310    1.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4138    2.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3310    2.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2414   -1.9621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3207   -3.4931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7862   -0.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7862    0.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    3.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3379    3.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1690   -2.5724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1931   -4.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5414    4.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0793   -3.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 12 17  2  0  0  0  0
 12 18  1  0  0  0  0
 13 19  1  0  0  0  0
 13 20  1  0  0  0  0
 15 21  2  0  0  0  0
 16 22  2  0  0  0  0
 17 23  1  0  0  0  0
 18 24  2  0  0  0  0
 19 25  1  0  0  0  0
 20 26  1  0  0  0  0
 23 27  2  0  0  0  0
 26 28  1  0  0  0  0
  9 10  2  0  0  0  0
 14 19  2  0  0  0  0
 21 22  1  0  0  0  0
 24 27  1  0  0  0  0
M  END
>  <Mol_ID> (79)
79

>  <Formula> (79)
C23H22N2O3

>  <MolWeight> (79)
374.43238

>  <COMPOUND_NAME> (79)
WAY-310957

>  <BAR_CODE_NO> (79)
3915270

$$$$
CL-404489
csChFnd80/06171916322D

 25 26  0  0  0  0  0  0  0  0999 V2000
   -2.4833    0.4500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458    0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8208   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4833   -0.6875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8208   -0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375   -2.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458   -2.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542   -2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4625   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -1.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4625   -1.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4833   -0.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167   -1.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833   -2.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208    0.7125    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1625    1.6125    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0833    1.3708    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.6000   -3.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167   -2.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7708   -3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3000   -4.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5667   -2.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4458   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  6  1  0  0  0  0
  8  9  2  0  0  0  0
  9 16  1  0  0  0  0
 10 15  2  0  0  0  0
 11  7  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14  3  2  0  0  0  0
 15 13  1  0  0  0  0
 16 13  2  0  0  0  0
 17  4  1  0  0  0  0
 18  4  1  0  0  0  0
 19  4  1  0  0  0  0
 20  8  1  0  0  0  0
 21 10  1  0  0  0  0
 22  9  1  0  0  0  0
 23 20  1  0  0  0  0
 24 21  1  0  0  0  0
 25 22  1  0  0  0  0
  5  7  2  0  0  0  0
 10  8  1  0  0  0  0
M  END
>  <Mol_ID> (80)
80

>  <Formula> (80)
C16H15F3N2O4

>  <MolWeight> (80)
356.2965096

>  <COMPOUND_NAME> (80)
CL-404489

>  <BAR_CODE_NO> (80)
3917353

$$$$
WAY-312187
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -1.7690   -0.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0310   -0.0931    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.8724   -0.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3552    0.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6828   -0.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1862    0.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2690    0.7586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2069   -1.2931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5690   -1.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0552   -0.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0655   -0.8621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5310    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1621   -0.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1690    0.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5655   -0.5241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8310    0.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4655    0.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5069    1.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1655    0.2862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2310    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6379    0.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  9 13  2  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
 14 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
  5  8  1  0  0  0  0
 10 13  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (81)
81

>  <Formula> (81)
C16H13NO4

>  <MolWeight> (81)
283.27872

>  <COMPOUND_NAME> (81)
WAY-312187

>  <BAR_CODE_NO> (81)
3916781

$$$$
WAY-344299
csChFnd80/06171916322D

 24 27  0  0  0  0  0  0  0  0999 V2000
    9.3750   -4.6542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1292   -5.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1292   -6.3542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1375   -5.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3625   -6.7625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4375   -5.7042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.0542   -4.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0292   -7.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3875   -6.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0792   -6.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7792   -3.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3375   -7.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3542   -5.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0500   -5.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3750   -9.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1500   -3.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8792   -4.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9792   -9.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0167  -10.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8042   -4.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0792   -2.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3167  -10.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8917   -2.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  4  1  0  0  0  0
  7  2  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  6  1  0  0  0  0
 11  1  1  0  0  0  0
 12  8  1  0  0  0  0
 13 14  1  0  0  0  0
 14  9  2  0  0  0  0
 15  8  2  0  0  0  0
 16 13  2  0  0  0  0
 17  7  1  0  0  0  0
 18  7  2  0  0  0  0
 19 12  2  0  0  0  0
 20 15  1  0  0  0  0
 21 18  1  0  0  0  0
 22 17  2  0  0  0  0
 23 20  2  0  0  0  0
 24 21  2  0  0  0  0
  3  5  1  0  0  0  0
 24 22  1  0  0  0  0
 12 16  1  0  0  0  0
 23 19  1  0  0  0  0
M  END
>  <Mol_ID> (82)
82

>  <Formula> (82)
C20H17N3S

>  <MolWeight> (82)
331.43408

>  <COMPOUND_NAME> (82)
WAY-344299

>  <BAR_CODE_NO> (82)
2554462

$$$$
CL-405421
csChFnd80/06171916322D

 26 30  0  0  0  0  0  0  0  0999 V2000
   -2.1947   -0.7365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1947    0.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5441   -1.4928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8650   -1.4928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8650    1.5719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5441    1.5719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5441   -3.0251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8788   -0.7365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4844   -0.7365    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8650   -3.0251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4844    0.7958    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.8650    3.1190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5441    3.0943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1947   -3.7913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8788   -3.7913    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2282   -1.4928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8388    1.5472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1947    3.8704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4449    3.8951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2282   -3.0251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8388    3.0746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2130    0.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1487    3.8704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5179    1.5719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5031    3.1190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8081    3.8951    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8 16  2  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
 12 19  2  0  0  0  0
 15 20  2  0  0  0  0
 17 21  1  0  0  0  0
 17 22  2  0  0  0  0
 21 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
  9 11  1  0  0  0  0
 10 14  2  0  0  0  0
 13 18  1  0  0  0  0
 16 20  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (83)
83

>  <Formula> (83)
C22H17BrN2O

>  <MolWeight> (83)
405.28718

>  <COMPOUND_NAME> (83)
CL-405421

>  <BAR_CODE_NO> (83)
3915280

$$$$
WAY-344122
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
    8.1654   -1.6784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4222   -1.0093    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.4712   -1.3183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1622   -2.2694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1622   -2.2694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8532   -1.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9021   -1.0094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1590   -1.6786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2079   -1.3695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.3913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7431    0.2778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6942   -0.0312    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6622   -0.7306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6622    0.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5282    0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5282    1.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6621    2.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7961    1.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7961    0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1164   -1.3694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8596   -2.0385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8106   -1.7295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0186   -0.7513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2754   -0.0822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3243   -0.3912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3 13  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
  6 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
  1 20  1  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (84)
84

>  <Formula> (84)
C20H16N4S

>  <MolWeight> (84)
344.43284

>  <COMPOUND_NAME> (84)
WAY-344122

>  <BAR_CODE_NO> (84)
2554379

$$$$
WAY-313205
csChFnd80/06171916322D

 23 26  0  0  0  0  0  0  0  0999 V2000
   -0.4207   -0.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3897    0.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2345    0.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4207   -1.3207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2000   -0.3724    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.3897    1.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2345    1.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0379   -0.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3897   -1.7897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2103   -1.3207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4207    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0379    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8517    0.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3897   -2.7207    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8276   -0.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9897    1.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8517    1.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6586   -0.3724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6414    0.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7897    1.5483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6586   -1.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6138    1.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  2  0  0  0  0
  9 15  2  0  0  0  0
 10 16  2  0  0  0  0
 10 17  1  0  0  0  0
 13 18  2  0  0  0  0
 14 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  2  0  0  0  0
 19 22  1  0  0  0  0
 20 23  2  0  0  0  0
  7 12  1  0  0  0  0
  9 11  1  0  0  0  0
 14 18  1  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (85)
85

>  <Formula> (85)
C19H18N2OS

>  <MolWeight> (85)
322.42402

>  <COMPOUND_NAME> (85)
WAY-313205

>  <BAR_CODE_NO> (85)
3918031

$$$$
WAY-343791
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
    8.9167   -6.6917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6000   -7.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6000   -8.5042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7250   -7.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9000   -8.9417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3542   -5.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1167   -7.8167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.9042  -10.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9000  -12.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2000  -11.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2125   -9.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4792   -6.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2917  -12.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8167   -9.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2417   -4.6542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.3042  -10.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9167   -7.8167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -11.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4250   -4.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7042   -5.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2000  -13.8792    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.2042   -2.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9917  -13.8792    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.1417   -3.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8500   -3.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6542   -1.4167    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.5125   -4.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0917   -6.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2167   -6.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6292   -4.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
 10  8  1  0  0  0  0
 11 14  1  0  0  0  0
 12  2  1  0  0  0  0
 13 18  2  0  0  0  0
 14  7  1  0  0  0  0
 15 27  2  0  0  0  0
 16  8  2  0  0  0  0
 17 11  2  0  0  0  0
 18 16  1  0  0  0  0
 19  6  2  0  0  0  0
 20  6  1  0  0  0  0
 21  9  1  0  0  0  0
 22 24  1  0  0  0  0
 23 13  1  0  0  0  0
 24 20  2  0  0  0  0
 25 19  1  0  0  0  0
 26 22  1  0  0  0  0
 27 30  1  0  0  0  0
 28 29  2  0  0  0  0
 29 12  1  0  0  0  0
 30 12  2  0  0  0  0
  3  5  1  0  0  0  0
 25 22  2  0  0  0  0
 28 15  1  0  0  0  0
 13  9  1  0  0  0  0
M  END
>  <Mol_ID> (86)
86

>  <Formula> (86)
C21H13ClF2N4OS

>  <MolWeight> (86)
442.8689264

>  <COMPOUND_NAME> (86)
WAY-343791

>  <BAR_CODE_NO> (86)
2553908

$$$$
WAY-342688
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
    6.5667  -13.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5667  -14.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8375  -13.0417    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.8375  -14.7292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1042  -14.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1042  -13.4625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3000  -13.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8375  -12.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6042  -11.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5917  -10.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3000  -14.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3542  -14.7417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8167  -10.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3000  -12.1917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1167  -13.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0417  -11.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0542  -10.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3750  -10.3542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8167   -9.4542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0417  -14.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3000  -15.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3375  -14.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7000  -12.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1417  -10.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1500  -14.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5167  -12.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7625  -14.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0292  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7417  -13.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7625  -15.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  6  1  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8  3  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11  2  1  0  0  0  0
 12  5  2  0  0  0  0
 13 17  1  0  0  0  0
 14  7  2  0  0  0  0
 15  7  1  0  0  0  0
 16  8  1  0  0  0  0
 17 16  2  0  0  0  0
 18 10  1  0  0  0  0
 19 13  1  0  0  0  0
 20 11  1  0  0  0  0
 21 11  2  0  0  0  0
 22 15  2  0  0  0  0
 23 15  1  0  0  0  0
 24 18  1  0  0  0  0
 25 22  1  0  0  0  0
 26 23  2  0  0  0  0
 27 20  2  0  0  0  0
 28 21  1  0  0  0  0
 29 26  1  0  0  0  0
 30 28  2  0  0  0  0
  4  5  1  0  0  0  0
 25 29  2  0  0  0  0
 13 10  2  0  0  0  0
 27 30  1  0  0  0  0
M  END
>  <Mol_ID> (87)
87

>  <Formula> (87)
C24H20N2O4

>  <MolWeight> (87)
400.4266

>  <COMPOUND_NAME> (87)
WAY-342688

>  <BAR_CODE_NO> (87)
2555062

$$$$
WAY-313199
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
    3.6318    2.1474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4264    2.8475    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6318    0.7264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8476    2.8475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2106    0.7264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4264    0.0474    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2106    2.1474    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4264    4.2370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0896    2.1685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2106    4.9475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2106    6.3633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8476    4.2633    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4264    7.0423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6318    4.9737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6318    6.3370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2897    2.8895    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8476    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5371    2.2421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0263    7.0739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4264    8.4318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7266    2.9368    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.4792    5.0107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2739    4.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6949    4.3423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0474    8.4475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9266    2.2421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  6  1  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8  2  1  0  0  0  0
  9  4  1  0  0  0  0
 10  8  1  0  0  0  0
 11 10  2  0  0  0  0
 12  4  2  0  0  0  0
 13  5  2  0  0  0  0
 14 16  2  0  0  0  0
 15  8  2  0  0  0  0
 16 15  1  0  0  0  0
 17  9  1  0  0  0  0
 18  3  1  0  0  0  0
 19 17  1  0  0  0  0
 20 11  1  0  0  0  0
 21 14  1  0  0  0  0
 22 19  1  0  0  0  0
 23 24  1  0  0  0  0
 24 17  1  0  0  0  0
 25 23  1  0  0  0  0
 26 20  1  0  0  0  0
 27 22  1  0  0  0  0
  7  5  1  0  0  0  0
 14 11  1  0  0  0  0
 25 22  1  0  0  0  0
M  END
>  <Mol_ID> (88)
88

>  <Formula> (88)
C20H26N2O5

>  <MolWeight> (88)
374.43084

>  <COMPOUND_NAME> (88)
WAY-313199

>  <BAR_CODE_NO> (88)
3918020

$$$$
WAY-313191
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
    3.6336    2.0893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4206    2.8054    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6336    0.6893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8519    2.8054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2022    0.6893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4206    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2022    2.0893    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4206    4.2054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4206    7.0054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2022    6.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6336    6.3055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2022    4.8947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6390    4.8947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0543    2.0733    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8519    4.2054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0266    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.9734    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.4206    8.3840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8519    6.9894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8519    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2725    2.7732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0543    6.3055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4803    2.0358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2887    4.1519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5284    4.8306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6987    2.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7093    4.1039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  6  1  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8  2  1  0  0  0  0
  9 11  2  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12  8  1  0  0  0  0
 13  8  2  0  0  0  0
 14  4  1  0  0  0  0
 15  4  2  0  0  0  0
 16  5  2  0  0  0  0
 17 10  1  0  0  0  0
 18  9  1  0  0  0  0
 19 11  1  0  0  0  0
 20  3  1  0  0  0  0
 21 14  1  0  0  0  0
 22 19  1  0  0  0  0
 23 21  1  0  0  0  0
 24 21  1  0  0  0  0
 25 24  1  0  0  0  0
 26 23  1  0  0  0  0
 27 25  1  0  0  0  0
  5  7  1  0  0  0  0
  9 10  1  0  0  0  0
 27 26  1  0  0  0  0
M  END
>  <Mol_ID> (89)
89

>  <Formula> (89)
C19H23BrN2O5

>  <MolWeight> (89)
439.30032

>  <COMPOUND_NAME> (89)
WAY-313191

>  <BAR_CODE_NO> (89)
3918005

$$$$
WAY-310619
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   11.6740   -1.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2400   -0.7130    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.6740   -3.1675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8060   -3.2080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2400   -3.9860    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8060   -1.5310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1240   -0.6805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2400    0.9395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8060    3.4270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8060    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2400    4.2450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5585    4.5935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8755    5.8975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3640   -4.0585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2635    6.0435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6740    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1240    0.9395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6740    3.4270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5580   -1.4905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1240   -4.0585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -0.6805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  5  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9 10  2  0  0  0  0
 10  8  1  0  0  0  0
 11 18  2  0  0  0  0
 12  9  1  0  0  0  0
 13 11  1  0  0  0  0
 14  4  2  0  0  0  0
 15 12  1  0  0  0  0
 16  8  2  0  0  0  0
 17  7  2  0  0  0  0
 18 16  1  0  0  0  0
 19  7  1  0  0  0  0
 20  3  1  0  0  0  0
 21 19  1  0  0  0  0
  4  6  1  0  0  0  0
 11  9  1  0  0  0  0
 15 13  1  0  0  0  0
M  END
>  <Mol_ID> (90)
90

>  <Formula> (90)
C14H14N2O5

>  <MolWeight> (90)
290.27136

>  <COMPOUND_NAME> (90)
WAY-310619

>  <BAR_CODE_NO> (90)
3914857

$$$$
CL-435229
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.4241   -1.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4172   -1.0931    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.4241   -2.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5655   -1.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4276    0.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4035   -1.6655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4172   -3.3828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5655   -3.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5621   -1.6655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5690    0.0517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4379    0.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4172    0.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4035   -2.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5517   -1.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4448    1.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4241    1.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3966   -3.3828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5448   -1.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4345    2.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4034    2.5379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1966    3.4586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0655    3.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 19  2  0  0  0  0
 15 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
  7 13  1  0  0  0  0
 16 19  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (91)
91

>  <Formula> (91)
C15H16N2O5

>  <MolWeight> (91)
304.29794

>  <COMPOUND_NAME> (91)
CL-435229

>  <BAR_CODE_NO> (91)
3917568

$$$$
WAY-312819
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    8.9090   -6.9660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9090   -9.0115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1365   -5.9430    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.3635   -9.0115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1365  -10.0570    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3635   -6.9660    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1365   -3.8980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6820   -5.9430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3635   -2.8635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9090   -2.8635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3635   -0.8180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9090   -0.8180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1365    0.1705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5910  -10.0570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4090    0.5340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5455    2.1820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5910    2.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6820   -3.8980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5910   -3.8980    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   10.6820  -10.0570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1365  -12.1020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4545   -6.9660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2275   -5.9430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.9660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  6  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  3  1  0  0  0  0
  8  1  1  0  0  0  0
  9  7  2  0  0  0  0
 10  7  1  0  0  0  0
 11  9  1  0  0  0  0
 12 10  2  0  0  0  0
 13 12  1  0  0  0  0
 14  4  2  0  0  0  0
 15 12  1  0  0  0  0
 16 13  1  0  0  0  0
 17 15  1  0  0  0  0
 18  8  2  0  0  0  0
 19  9  1  0  0  0  0
 20  2  1  0  0  0  0
 21  5  1  0  0  0  0
 22  8  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
  5  4  1  0  0  0  0
 13 11  2  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (92)
92

>  <Formula> (92)
C16H17BrN2O5

>  <MolWeight> (92)
397.22058

>  <COMPOUND_NAME> (92)
WAY-312819

>  <BAR_CODE_NO> (92)
3917537

$$$$
WAY-220865
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
    5.5946    6.1093    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.9691    6.1093    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8108    4.9769    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.4112    3.6872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1899    6.1093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5885    7.5381    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5885    4.7045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0487    3.3421    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3919    2.6882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4876    7.3201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4876    4.8922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7380    7.2838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6674    1.9981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1306    5.4735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1009    4.9043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0828    7.3201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3623    6.1394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3352    1.6710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1186    6.8297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.1093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3423    2.6520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9417    0.3269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6095    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0101    2.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6167    0.9990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  2  0  0  0  0
  7  1  2  0  0  0  0
  8  4  1  0  0  0  0
  9  4  2  0  0  0  0
 10  5  2  0  0  0  0
 11  5  1  0  0  0  0
 12  2  1  0  0  0  0
 13  8  1  0  0  0  0
 14  3  1  0  0  0  0
 15 11  2  0  0  0  0
 16 10  1  0  0  0  0
 17 15  1  0  0  0  0
 18 13  1  0  0  0  0
 19 12  1  0  0  0  0
 20 17  1  0  0  0  0
 21 18  2  0  0  0  0
 22 18  1  0  0  0  0
 23 22  2  0  0  0  0
 24 21  1  0  0  0  0
 25 23  1  0  0  0  0
 14 19  1  0  0  0  0
 17 16  2  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (93)
93

>  <Formula> (93)
C19H22N2O3S

>  <MolWeight> (93)
358.45458

>  <COMPOUND_NAME> (93)
WAY-220865

>  <BAR_CODE_NO> (93)
3917079

$$$$
WAY-310462
csChFnd80/06171916322D

 23 26  0  0  0  0  0  0  0  0999 V2000
    0.9724    0.8276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2276    0.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2724    0.1241    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.9724    2.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2276   -1.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4276    0.8276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2724   -1.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4724    0.8276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2276    2.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2724    2.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9724   -1.9690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4276   -1.9690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4276    2.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6276    0.1241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4724    2.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6724    0.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9724   -3.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4276   -3.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6276   -1.2724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6276    2.9241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2276   -4.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9276   -1.9690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9276    2.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
  6 13  2  0  0  0  0
  6 14  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
 11 17  2  0  0  0  0
 12 18  1  0  0  0  0
 12 19  1  0  0  0  0
 13 20  1  0  0  0  0
 17 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
  7 11  1  0  0  0  0
  9 13  1  0  0  0  0
 10 15  1  0  0  0  0
 18 21  2  0  0  0  0
M  END
>  <Mol_ID> (94)
94

>  <Formula> (94)
C19H21NO3

>  <MolWeight> (94)
311.37494

>  <COMPOUND_NAME> (94)
WAY-310462

>  <BAR_CODE_NO> (94)
3914683

$$$$
WAY-311702
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
    2.7483   -1.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7241   -0.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3862   -1.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1448   -2.7103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3310    0.9931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0966   -0.6793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000    0.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5103   -3.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9759    1.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4828   -2.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3552    0.6621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7138    0.3483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3517    2.0552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1000    0.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7517    1.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8414   -0.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1517    1.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0241    2.8034    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2310   -0.7276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8793    0.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (95)
95

>  <Formula> (95)
C15H12FNO3

>  <MolWeight> (95)
273.2590832

>  <COMPOUND_NAME> (95)
WAY-311702

>  <BAR_CODE_NO> (95)
3916173

$$$$
WAY-313073
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -2.4998    0.2747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4998   -0.7529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6412    0.7574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3585    0.7574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6412   -1.2632    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3585   -1.2632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7826    0.2747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6412    1.7850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2343    0.2747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7826   -0.7529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6412   -2.2564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2343   -0.7529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1105    0.7919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1105   -1.2908    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9795    0.3023    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1105    1.8195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8622    0.7919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7312    0.3023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5898    0.7919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7312   -0.7253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4553    0.3023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5898    1.7850    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.5898   -1.2288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4553   -0.7253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
 10 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  2  0  0  0  0
 21 24  2  0  0  0  0
  7 10  1  0  0  0  0
  9 12  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (96)
96

>  <Formula> (96)
C18H15FN2O3

>  <MolWeight> (96)
326.3217032

>  <COMPOUND_NAME> (96)
WAY-313073

>  <BAR_CODE_NO> (96)
3917858

$$$$
WAY-313042
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -1.1861   -0.0030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1861   -0.4651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8033    0.2176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5620    0.2176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8033   -0.6824    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5620   -0.6824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4240   -0.0030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8033    0.6556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9413   -0.0030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4240   -0.4651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8033   -1.3513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9413   -0.4651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0240    0.2176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0413   -0.7030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3587   -0.0030    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0033    0.6797    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7380    0.2176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1139   -0.0030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4967    0.2176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8760   -0.0030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4967    0.6556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2760    0.2176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8760    0.8797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2760    0.6556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
 10 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
  7 10  1  0  0  0  0
  9 12  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (97)
97

>  <Formula> (97)
C19H18N2O3

>  <MolWeight> (97)
322.35782

>  <COMPOUND_NAME> (97)
WAY-313042

>  <BAR_CODE_NO> (97)
3917820

$$$$
WAY-313255
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -2.3625   -1.0389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3625    0.1611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3418   -1.6389    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4004   -1.6389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3418    0.7611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4004    0.7611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3004   -1.0389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3418   -2.8389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4521   -1.0389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3004    0.1611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3418    1.9611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4521    0.1611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7582   -1.6596    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3625   -3.4389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7582    0.7783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3625   -4.6389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7996    0.1783    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7582    1.9852    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8375    0.7783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8375    1.9852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8582    0.1783    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8582    2.5783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8996    0.7783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8996    1.9852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8582    3.7783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
 10 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
  7 10  1  0  0  0  0
  9 12  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (98)
98

>  <Formula> (98)
C19H19N3O3

>  <MolWeight> (98)
337.37246

>  <COMPOUND_NAME> (98)
WAY-313255

>  <BAR_CODE_NO> (98)
3918102

$$$$
WAY-312332
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
    3.6931    0.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6931    1.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9793    0.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4931    0.6207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9655    2.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4862    1.9690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2655    0.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9793    1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2621    1.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5552    0.4483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8414    0.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1241    0.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8379    1.6828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5966    0.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1276   -0.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3069    0.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5828   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2966   -0.3931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0069   -0.8069    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7207   -1.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4241   -0.0931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000   -1.5172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4379   -0.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7207   -2.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1517   -1.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4379   -2.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1517   -2.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8724   -2.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 19 22  2  0  0  0  0
 20 23  2  0  0  0  0
 20 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  2  0  0  0  0
 27 28  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
 17 18  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (99)
99

>  <Formula> (99)
C20H22N2O5S

>  <MolWeight> (99)
402.46408

>  <COMPOUND_NAME> (99)
WAY-312332

>  <BAR_CODE_NO> (99)
3916952

$$$$
CL-408172
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.4034    1.5850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6207    1.2747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9965    0.7436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0311    2.5816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4620    1.6781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6207    0.1850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5242    1.8023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4034   -0.1253    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0517    0.7436    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7793    3.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7103    2.7057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5242   -0.3426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4276    1.2747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7483   -1.1529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4276    0.1850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.9322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3414   -2.9253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0276   -1.7115    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6828   -3.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3379   -2.6150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6517   -3.9529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
 12 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 17 21  1  0  0  0  0
  6  8  1  0  0  0  0
 10 11  1  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <Mol_ID> (100)
100

>  <Formula> (100)
C16H19NO4

>  <MolWeight> (100)
289.32636

>  <COMPOUND_NAME> (100)
CL-408172

>  <BAR_CODE_NO> (100)
3914738

$$$$
WAY-313167
csChFnd80/06171916322D

 29 33  0  0  0  0  0  0  0  0999 V2000
   -0.6276    1.4862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6276    0.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4345    2.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8931    2.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2724   -0.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8931   -0.7138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4345    3.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7241    1.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1517    1.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8931    3.6862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4552   -1.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1517    0.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7241    4.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9966    2.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4448    2.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8552   -1.9138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4138   -2.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4448   -0.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9966    3.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7138    1.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8552   -3.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1241   -1.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4552   -3.8379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9138   -2.6862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7138    0.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1241   -4.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3862   -1.9138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3862   -3.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6552   -1.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  2  0  0  0  0
  9 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
 13 19  2  0  0  0  0
 15 20  2  0  0  0  0
 16 21  2  0  0  0  0
 16 22  1  0  0  0  0
 17 23  1  0  0  0  0
 17 24  2  0  0  0  0
 18 25  2  0  0  0  0
 21 26  1  0  0  0  0
 22 27  2  0  0  0  0
 26 28  2  0  0  0  0
 27 29  1  0  0  0  0
  9 12  2  0  0  0  0
 14 19  1  0  0  0  0
 20 25  1  0  0  0  0
 21 23  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (101)
101

>  <Formula> (101)
C24H17N3O2

>  <MolWeight> (101)
379.41068

>  <COMPOUND_NAME> (101)
WAY-313167

>  <BAR_CODE_NO> (101)
3917972

$$$$
WAY-313343
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -0.4625    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4625   -0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458    1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458   -1.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4375    1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2125    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2125   -0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167    0.5208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917    1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0667    0.5208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4375   -1.0375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4375    2.0458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458    2.0333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458   -2.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2125   -2.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2125   -3.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9500    1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917    2.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0958    1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9500    2.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0958   -1.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0667    2.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8292    2.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9708    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9708   -0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  6  2  0  0  0  0
  8  5  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11  2  2  0  0  0  0
 12  5  2  0  0  0  0
 13  3  1  0  0  0  0
 14  4  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 10  1  0  0  0  0
 18  9  1  0  0  0  0
 19  6  1  0  0  0  0
 20 22  1  0  0  0  0
 21  7  1  0  0  0  0
 22 18  2  0  0  0  0
 23 20  1  0  0  0  0
 24 19  2  0  0  0  0
 25 24  1  0  0  0  0
  4  7  1  0  0  0  0
 25 21  2  0  0  0  0
 20 17  2  0  0  0  0
M  END
>  <Mol_ID> (102)
102

>  <Formula> (102)
C19H17N3O3

>  <MolWeight> (102)
335.35658

>  <COMPOUND_NAME> (102)
WAY-313343

>  <BAR_CODE_NO> (102)
3918220

$$$$
WAY-344071
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   13.0125   -8.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1792   -9.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2417  -10.6792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.6417  -10.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4917   -8.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7417   -6.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6875   -5.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2917   -5.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8125   -3.7750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3625   -4.1917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3875   -6.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2417   -5.1042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.0667  -12.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8250   -6.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3167   -5.5292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0125   -6.6042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6167   -9.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -10.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6625  -12.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3292  -13.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1542  -14.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4875  -14.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7167  -15.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7 12  1  0  0  0  0
  8  6  1  0  0  0  0
  9  7  2  0  0  0  0
 10  9  1  0  0  0  0
 11  1  1  0  0  0  0
 12 14  1  0  0  0  0
 13  3  1  0  0  0  0
 14 11  1  0  0  0  0
 15 11  2  0  0  0  0
 16  8  1  0  0  0  0
 17  2  1  0  0  0  0
 18  4  1  0  0  0  0
 19 13  2  0  0  0  0
 20 13  1  0  0  0  0
 21 20  2  0  0  0  0
 22 19  1  0  0  0  0
 23 21  1  0  0  0  0
  3  4  1  0  0  0  0
 10  8  2  0  0  0  0
 23 22  2  0  0  0  0
M  END
>  <Mol_ID> (103)
103

>  <Formula> (103)
C16H17N5OS

>  <MolWeight> (103)
327.40408

>  <COMPOUND_NAME> (103)
WAY-344071

>  <BAR_CODE_NO> (103)
2554233

$$$$
WAY-313109
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -2.4313   -0.3253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5692   -0.8081    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4313    0.7092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3037   -0.8081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7037   -0.3253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5692   -1.8046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5692    1.1919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3037    1.1919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1692   -0.3253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7037    0.7092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1756   -0.8391    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7106   -2.2943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5692    2.2161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1692    0.7092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1756    1.2264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1204   -1.8046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0411    0.7092    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1756    2.2161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9618   -2.2874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9135    1.2264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7653   -1.7529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7756    0.7092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6411    1.2264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7756   -0.2839    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5204    0.7092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6411   -0.8081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5204   -0.2839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  2  0  0  0  0
 10 15  1  0  0  0  0
 12 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
  7 10  2  0  0  0  0
  9 14  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <Mol_ID> (104)
104

>  <Formula> (104)
C21H23N3O3

>  <MolWeight> (104)
365.42562

>  <COMPOUND_NAME> (104)
WAY-313109

>  <BAR_CODE_NO> (104)
3917906

$$$$
WAY-312683
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -0.2130    0.3426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2130   -0.6741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0963    0.8551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0963   -1.1866    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6870    0.8760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9630    0.3426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9630   -0.6741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5662    0.3635    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4412    0.8760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3162    0.3635    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6870   -1.1949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6870    1.8884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0963    1.8760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0963   -2.1949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1995    0.8760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4412    1.8884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8463    0.8551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1995    1.8884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8463   -1.1866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3162    2.3926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0787    2.3884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9630   -2.7074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9630   -3.7116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7213    0.3426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7213   -0.6741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8213   -4.2116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  6  2  0  0  0  0
  8  5  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11  2  2  0  0  0  0
 12  5  2  0  0  0  0
 13  3  1  0  0  0  0
 14  4  1  0  0  0  0
 15 10  1  0  0  0  0
 16  9  1  0  0  0  0
 17  6  1  0  0  0  0
 18 20  1  0  0  0  0
 19  7  1  0  0  0  0
 20 16  2  0  0  0  0
 21 18  1  0  0  0  0
 22 14  1  0  0  0  0
 23 22  1  0  0  0  0
 24 17  2  0  0  0  0
 25 24  1  0  0  0  0
 26 23  1  0  0  0  0
  7  4  1  0  0  0  0
 19 25  2  0  0  0  0
 15 18  2  0  0  0  0
M  END
>  <Mol_ID> (105)
105

>  <Formula> (105)
C20H21N3O3

>  <MolWeight> (105)
351.39904

>  <COMPOUND_NAME> (105)
WAY-312683

>  <BAR_CODE_NO> (105)
3917346

$$$$
WAY-312907
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -1.3505   -1.4012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7057   -0.2978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6574   -1.4150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9539   -2.6219    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5702   -0.2978    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3505    0.8436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3126   -0.2978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0436   -2.6323    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0160   -3.3771    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.8564   -0.2840    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5564    1.0126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5702   -1.5598    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6574    0.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2608   -0.3185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4874    0.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8219    1.9505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7978    0.8436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4668    3.0884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4288    1.9850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7530    3.1126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  5 12  2  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
  7 13  2  0  0  0  0
  8  9  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (106)
106

>  <Formula> (106)
C13H17N3O2S2

>  <MolWeight> (106)
311.42298

>  <COMPOUND_NAME> (106)
WAY-312907

>  <BAR_CODE_NO> (106)
3917639

$$$$
WAY-311271
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -0.9586   -0.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9586    0.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2552   -0.8966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6793   -0.8966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6724    0.7517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2483    0.7448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4552   -0.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2586   -1.7172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3931   -0.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3862    0.3414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6690    1.5793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4655    0.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1690   -0.9103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4448   -2.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0966   -0.8966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0966    0.7517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1759    0.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4414   -2.9483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8069   -0.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8069    0.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1828    1.5517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8828    0.3172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1448   -3.3586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8931    1.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6069    1.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6828    0.7276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3552    1.8793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4897    0.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9069    1.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 12 17  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  2  0  0  0  0
 16 20  2  0  0  0  0
 17 21  1  0  0  0  0
 17 22  2  0  0  0  0
 18 23  1  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
  7 12  1  0  0  0  0
  9 10  1  0  0  0  0
 19 20  1  0  0  0  0
 28 29  2  0  0  0  0
M  END
>  <Mol_ID> (107)
107

>  <Formula> (107)
C20H19N5O4

>  <MolWeight> (107)
393.39596

>  <COMPOUND_NAME> (107)
WAY-311271

>  <BAR_CODE_NO> (107)
3915641

$$$$
CL-423090
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -1.4789    0.0155    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.3994   -1.2204    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.0207   -0.4551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3994    1.2617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5843    1.2617    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8576   -0.7601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4789   -2.4718    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2991   -2.4718    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0207   -2.0012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2255    0.4499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8576    0.7860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9133    2.7303    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1969   -1.5255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2255   -2.9113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6269   -0.1706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0704    1.9805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1969    1.5668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5155   -0.7601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8731    0.7239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5155    0.7860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2693    0.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5155    1.0032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3  9  2  0  0  0  0
  3 10  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  2  0  0  0  0
  6 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  2  0  0  0  0
 11 17  1  0  0  0  0
 13 18  2  0  0  0  0
 15 19  1  0  0  0  0
 17 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
  6 11  2  0  0  0  0
  7  9  1  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (108)
108

>  <Formula> (108)
C16H15NO5

>  <MolWeight> (108)
301.294

>  <COMPOUND_NAME> (108)
CL-423090

>  <BAR_CODE_NO> (108)
3915962

$$$$
WAY-344131
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
    7.7667   -4.4792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6542   -4.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6167   -5.9667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4250   -5.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7125   -6.3542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1542   -3.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5917   -5.4875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.6292   -4.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3042   -3.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9167   -2.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8292   -6.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5917   -3.0917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.6625   -6.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0792   -4.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0167   -2.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1417   -3.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1125   -5.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0292   -7.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1375   -6.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3125   -6.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9375   -5.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8625   -7.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5542   -2.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7792   -7.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8792   -5.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6417   -4.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5875   -3.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6250   -4.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8  2  1  0  0  0  0
  9  6  1  0  0  0  0
 10  9  1  0  0  0  0
 11 13  1  0  0  0  0
 12  8  2  0  0  0  0
 13 18  1  0  0  0  0
 14  9  2  0  0  0  0
 15 10  1  0  0  0  0
 16 14  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  2  0  0  0  0
 19  7  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 20  1  0  0  0  0
 23 12  1  0  0  0  0
 24 11  1  0  0  0  0
 25 11  1  0  0  0  0
 26 11  1  0  0  0  0
 27  8  1  0  0  0  0
 28 29  1  0  0  0  0
 29 27  2  0  0  0  0
  5  3  1  0  0  0  0
 15 16  2  0  0  0  0
 28 23  2  0  0  0  0
 13 17  2  0  0  0  0
M  END
>  <Mol_ID> (109)
109

>  <Formula> (109)
C23H24N4OS

>  <MolWeight> (109)
404.52786

>  <COMPOUND_NAME> (109)
WAY-344131

>  <BAR_CODE_NO> (109)
2554388

$$$$
CL-416074
csChFnd80/06171916322D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -0.4615    0.1147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2235    0.1147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2515   -0.5963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4515   -0.6113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8275   -1.0733    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0005    0.7147    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1625   -0.8243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0985   -1.3253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3065   -0.0713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0985    2.6887    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7615   -0.1853    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2785    1.4107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7415    0.6097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1805    2.0017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0235   -0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6275   -1.5353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0235   -0.3053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1885   -1.0433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  4  2  0  0  0  0
  8  3  1  0  0  0  0
  9  3  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12  6  1  0  0  0  0
 13  6  1  0  0  0  0
 14 12  1  0  0  0  0
 15 13  1  0  0  0  0
 16  8  1  0  0  0  0
 17  9  1  0  0  0  0
 18 17  1  0  0  0  0
  5  4  1  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (110)
110

>  <Formula> (110)
C13H21NO4

>  <MolWeight> (110)
255.31014

>  <COMPOUND_NAME> (110)
CL-416074

>  <BAR_CODE_NO> (110)
3916709

$$$$
WAY-310540
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -0.2000   -0.2448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7138   -0.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8379   -0.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6103    0.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2828    0.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0517   -1.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6276   -0.4931    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.7241   -1.8448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5103    0.3966    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.2000    1.4172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1897    0.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9379    1.1828    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.9379   -1.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4655   -0.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2172    0.9690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5379   -0.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0379    1.2828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5138    1.8862    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.2103   -0.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0655    0.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4379   -0.8172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0862   -0.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8000    1.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0138   -0.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000   -0.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  9 15  1  0  0  0  0
 11 16  1  0  0  0  0
 12 17  2  0  0  0  0
 12 18  1  0  0  0  0
 14 19  1  0  0  0  0
 15 20  1  0  0  0  0
 16 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
  7  9  1  0  0  0  0
 13 16  2  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (111)
111

>  <Formula> (111)
C18H20N2O5

>  <MolWeight> (111)
344.3618

>  <COMPOUND_NAME> (111)
WAY-310540

>  <BAR_CODE_NO> (111)
3914771

$$$$
CL-417870
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -0.0194   -1.2325    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.3441   -2.0089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3247   -2.0089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0194    0.3251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3441   -3.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6737   -1.2325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3247   -3.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6543   -1.2325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2908    1.1112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3587    1.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0194   -4.3284    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6737   -4.3284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0178   -2.0089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7271    0.3251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6543   -4.2750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9499   -2.0526    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7028    0.2814    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2908    2.6252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3587    2.5767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0178   -3.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9499   -3.4889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0340    3.3773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0178   -5.0563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4396   -3.9936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3280   -4.2216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0340    4.8767    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  2  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  2  0  0  0  0
  9 18  1  0  0  0  0
 10 19  2  0  0  0  0
 12 20  1  0  0  0  0
 15 21  1  0  0  0  0
 18 22  2  0  0  0  0
 20 23  1  0  0  0  0
 20 24  1  0  0  0  0
 21 25  2  0  0  0  0
 22 26  1  0  0  0  0
  7 11  1  0  0  0  0
 13 20  1  0  0  0  0
 16 21  1  0  0  0  0
 19 22  1  0  0  0  0
M  END
>  <Mol_ID> (112)
112

>  <Formula> (112)
C19H19N3O4

>  <MolWeight> (112)
353.37186

>  <COMPOUND_NAME> (112)
CL-417870

>  <BAR_CODE_NO> (112)
3916301

$$$$
WAY-310791
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
    2.4414    0.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4414   -0.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4759    0.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5414    0.9379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4759   -1.1793    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4655   -1.4241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1172   -0.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8414    1.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6897    2.0448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9379    0.5897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5172   -0.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2241   -0.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7034    2.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4345   -1.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5172    0.0448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4345   -0.8759    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.3966   -1.4241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4345    0.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3448   -0.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3966    0.7966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4345    0.7966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3448    0.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2966   -1.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2966    0.7966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2828   -0.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2828    0.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  9 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  2  0  0  0  0
 19 22  2  0  0  0  0
 19 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  2  0  0  0  0
  5  7  1  0  0  0  0
 20 22  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (113)
113

>  <Formula> (113)
C18H19N3O4S

>  <MolWeight> (113)
373.42616

>  <COMPOUND_NAME> (113)
WAY-310791

>  <BAR_CODE_NO> (113)
3915065

$$$$
WAY-217159
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.8239    1.1303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8239   -0.2593    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3968    1.8303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0722    0.5407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9584    2.4855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3968   -0.9593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6105    1.1303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0101    1.5993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3101    2.8096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6105   -0.2593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3968   -2.3593    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8243    1.8303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8243   -0.9593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8239   -3.0559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0278    1.1303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0278   -0.2593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0274   -2.3593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0274   -0.9593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2377   -3.0559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  2  0  0  0  0
 10 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <Mol_ID> (114)
114

>  <Formula> (114)
C15H18N2O2

>  <MolWeight> (114)
258.31562

>  <COMPOUND_NAME> (114)
WAY-217159

>  <BAR_CODE_NO> (114)
3914972

$$$$
WAY-311527
csChFnd80/06171916322D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -0.8103    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1103   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8103    0.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5103   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6034    0.1241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1103   -1.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1103    1.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5103    1.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2103    0.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6034    0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6034   -1.5000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.2103    0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3690    1.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0034    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3034   -1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6034   -2.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0034   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3034   -0.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  8 12  2  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
  7 10  1  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <Mol_ID> (115)
115

>  <Formula> (115)
C14H18N2O2

>  <MolWeight> (115)
246.30492

>  <COMPOUND_NAME> (115)
WAY-311527

>  <BAR_CODE_NO> (115)
3915924

$$$$
WAY-311311
csChFnd80/06171916322D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.0897   -0.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0966    0.6621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4241   -0.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7897   -0.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000    0.8793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5103    1.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1621   -0.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2379   -1.2379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2241    0.2793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000   -1.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0345    1.5759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2621    0.9172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3759    1.8655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5241    0.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8414   -1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9586    0.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6552   -2.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  2  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
  9 16  1  0  0  0  0
 15 17  1  0  0  0  0
  5  9  1  0  0  0  0
 12 14  2  0  0  0  0
M  END
>  <Mol_ID> (116)
116

>  <Formula> (116)
C14H17NO2

>  <MolWeight> (116)
231.29028

>  <COMPOUND_NAME> (116)
WAY-311311

>  <BAR_CODE_NO> (116)
3915683

$$$$
WAY-313105
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.1891   -0.5691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1932   -1.3232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8391   -0.1857    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8516   -1.6982    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4609   -0.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4776    0.5518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4891   -0.5607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4974   -1.3107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1234    0.9184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4484   -1.7024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1766    0.9309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7693    0.5393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1318    1.6768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4234    1.6601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7818    2.0393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4234    0.9143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0818    2.0309    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.1516   -1.6816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1391   -0.1774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7974   -1.3024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7974   -0.5482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  2  0  0  0  0
  6  5  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  1  0  0  0  0
  9  6  1  0  0  0  0
 10  2  2  0  0  0  0
 11  6  2  0  0  0  0
 12  9  1  0  0  0  0
 13  9  2  0  0  0  0
 14 15  2  0  0  0  0
 15 13  1  0  0  0  0
 16 12  2  0  0  0  0
 17 14  1  0  0  0  0
 18  8  1  0  0  0  0
 19  7  1  0  0  0  0
 20 18  2  0  0  0  0
 21 19  2  0  0  0  0
  8  7  2  0  0  0  0
 20 21  1  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <Mol_ID> (117)
117

>  <Formula> (117)
C16H11ClN2O2

>  <MolWeight> (117)
298.72374

>  <COMPOUND_NAME> (117)
WAY-313105

>  <BAR_CODE_NO> (117)
3917900

$$$$
WAY-344411
csChFnd80/06171916322D

 31 33  0  0  0  0  0  0  0  0999 V2000
   10.7042   -6.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7292   -1.8125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4875   -9.4625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4667   -6.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9167   -0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8167   -4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7167   -9.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3542   -7.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5042   -1.8125    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.3875   -3.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8250   -7.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1375   -0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1542   -3.3667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0375   -4.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8417    1.2708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8375  -11.0375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6917   -3.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5042   -4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6833    1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833   -1.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4125   -0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3833   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5458   -1.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4500    1.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1583   -0.0042    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.3375   -4.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1167   -7.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1667   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5417    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1125   -4.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  9  1  0  0  0  0
  3  7  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7 11  1  0  0  0  0
  8  4  1  0  0  0  0
  9 10  1  0  0  0  0
 10 13  1  0  0  0  0
 11  1  1  0  0  0  0
 12  5  1  0  0  0  0
 13 14  1  0  0  0  0
 14  6  1  0  0  0  0
 15  5  2  0  0  0  0
 16  7  2  0  0  0  0
 17  6  2  0  0  0  0
 18 10  2  0  0  0  0
 19 12  2  0  0  0  0
 20 12  1  0  0  0  0
 21  9  1  0  0  0  0
 22 23  1  0  0  0  0
 23 20  2  0  0  0  0
 24 19  1  0  0  0  0
 25 22  1  0  0  0  0
 26  4  2  0  0  0  0
 27  8  2  0  0  0  0
 28 21  1  0  0  0  0
 29 21  1  0  0  0  0
 30 26  1  0  0  0  0
 31 30  2  0  0  0  0
  3  8  1  0  0  0  0
 31 27  1  0  0  0  0
 24 22  2  0  0  0  0
M  END
>  <Mol_ID> (118)
118

>  <Formula> (118)
C22H22FN3O5

>  <MolWeight> (118)
427.4255832

>  <COMPOUND_NAME> (118)
WAY-344411

>  <BAR_CODE_NO> (118)
2554596

$$$$
WAY-342678
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
    8.8875   -7.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5792   -6.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8667   -7.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2750   -8.6875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6625   -6.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0500   -8.0125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9292   -6.1625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3542   -8.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9917   -5.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9417   -7.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0042   -9.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8917   -9.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1292   -8.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6042   -6.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3500   -6.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7000   -9.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2125   -5.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9167   -7.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8292   -7.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7750   -7.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6417   -7.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1292   -5.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9500  -11.2667    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   15.7000   -6.8125    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.4417   -6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3292  -10.2000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   14.9042   -4.7417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -4.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  8  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  2  0  0  0  0
  9  2  1  0  0  0  0
 10  3  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13  6  1  0  0  0  0
 14 18  2  0  0  0  0
 15  5  2  0  0  0  0
 16 21  1  0  0  0  0
 17 22  2  0  0  0  0
 18 19  1  0  0  0  0
 19 13  1  0  0  0  0
 20 10  1  0  0  0  0
 21 20  2  0  0  0  0
 22 25  1  0  0  0  0
 23 12  1  0  0  0  0
 24 14  1  0  0  0  0
 25 19  2  0  0  0  0
 26 16  1  0  0  0  0
 27 17  1  0  0  0  0
 28 27  1  0  0  0  0
  9  7  2  0  0  0  0
  6  5  1  0  0  0  0
 16 12  2  0  0  0  0
 14 17  1  0  0  0  0
M  END
>  <Mol_ID> (119)
119

>  <Formula> (119)
C19H13Cl2FN4O2

>  <MolWeight> (119)
419.2365232

>  <COMPOUND_NAME> (119)
WAY-342678

>  <BAR_CODE_NO> (119)
2554676

$$$$
WAY-333728
csChFnd80/06171916322D

 30 34  0  0  0  0  0  0  0  0999 V2000
   -1.6333    8.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4708    8.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6125    9.7542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9250    8.1542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2833    8.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2750    9.7542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208    7.2917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4500   10.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2708    7.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1000   11.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1083   10.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7458   14.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7458   13.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9125   11.6792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9250   14.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    8.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1208    8.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9125   12.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5792   14.5542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9458   15.5167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2750   11.6792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1000   14.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1000   13.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5792   15.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7583   16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542    9.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042    7.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5292    7.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042    9.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9042    8.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  8  1  0  0  0  0
  7  4  1  0  0  0  0
  8  3  2  0  0  0  0
  9  2  1  0  0  0  0
 10 11  1  0  0  0  0
 11  6  1  0  0  0  0
 12 13  2  0  0  0  0
 13 18  1  0  0  0  0
 14 10  1  0  0  0  0
 15 22  2  0  0  0  0
 16  4  1  0  0  0  0
 17  5  2  0  0  0  0
 18 14  1  0  0  0  0
 19 12  1  0  0  0  0
 20 15  1  0  0  0  0
 21 10  2  0  0  0  0
 22 23  1  0  0  0  0
 23 18  2  0  0  0  0
 24 19  1  0  0  0  0
 25 20  1  0  0  0  0
 26 16  2  0  0  0  0
 27 16  1  0  0  0  0
 28 27  2  0  0  0  0
 29 26  1  0  0  0  0
 30 28  1  0  0  0  0
  7  9  2  0  0  0  0
  5  6  1  0  0  0  0
 29 30  2  0  0  0  0
 12 15  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (120)
120

>  <Formula> (120)
C21H17N5O4

>  <MolWeight> (120)
403.39078

>  <COMPOUND_NAME> (120)
WAY-333728

>  <BAR_CODE_NO> (120)
2547856

$$$$
WAY-312258
csChFnd80/06171916322D

 18 19  0  0  0  0  0  0  0  0999 V2000
    1.2483    0.5828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    1.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9276   -0.2448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1103    0.5828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1828    1.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6483   -0.7862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3690   -0.2862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7310    1.8828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5103    0.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6276   -1.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6310    1.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4103    0.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8690   -2.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9724    0.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8586   -2.9448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1103   -1.5552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8517    0.8138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1828   -0.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  8 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
  6  7  1  0  0  0  0
 12 14  2  0  0  0  0
M  END
>  <Mol_ID> (121)
121

>  <Formula> (121)
C11H12N4O3

>  <MolWeight> (121)
248.23798

>  <COMPOUND_NAME> (121)
WAY-312258

>  <BAR_CODE_NO> (121)
3916860

$$$$
WAY-310808
csChFnd80/06171916322D

 22 23  0  0  0  0  0  0  0  0999 V2000
   -1.4655    0.2655    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6793    0.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2483    0.2655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4655    1.4690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4655   -0.9793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2759   -0.8241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2759    1.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3862   -0.7345    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -4.5207   -0.8241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5207    1.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6310   -0.7448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2483   -1.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1414    0.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1621    0.3172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3034   -1.7552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3586    0.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4552    0.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0897   -0.7448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0897    1.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3069   -0.7448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3069    1.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9172    0.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  1  5  2  0  0  0  0
  2  6  1  0  0  0  0
  2  7  2  0  0  0  0
  3  8  1  0  0  0  0
  6  9  2  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 10 13  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (122)
122

>  <Formula> (122)
C16H18N2O3S

>  <MolWeight> (122)
318.39072

>  <COMPOUND_NAME> (122)
WAY-310808

>  <BAR_CODE_NO> (122)
3915086

$$$$
WAY-345486
csChFnd80/06171916322D

 24 25  0  0  1  0  0  0  0  0999 V2000
    1.9604   -0.9604    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4979   -0.0354    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8937    0.9145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9604    0.9062    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3562    1.8437    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4104   -1.9104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0104   -0.4562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9062   -1.4979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7395    1.8645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3479   -0.0229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2645    2.8062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9312   -2.8562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3354   -1.8854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2979   -3.7562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2270   -2.8104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3812   -3.7729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2562   -4.6937    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7270    3.7437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4979    1.8312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2895    0.9270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3645    2.8270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2645    4.6937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3687    0.9395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9062    1.8895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  2  0  0  0  0
  1  8  2  0  0  0  0
  4  2  1  1  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 10  2  0  0  0  0
  4 19  1  0  0  0  0
  5  9  1  0  0  0  0
  6 12  2  0  0  0  0
  6 13  1  0  0  0  0
  9 11  1  0  0  0  0
  9 20  2  0  0  0  0
 11 18  1  0  0  0  0
 11 21  2  0  0  0  0
 12 16  1  0  0  0  0
 13 15  2  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 14 16  2  0  0  0  0
 18 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (123)
123

>  <Formula> (123)
C16H17ClN2O4S

>  <MolWeight> (123)
368.83518

>  <COMPOUND_NAME> (123)
WAY-345486

>  <BAR_CODE_NO> (123)
2555851

$$$$
WAY-217122
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
    1.6147   -0.5531    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250   -0.8358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3561    0.2814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9250   -1.0600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0664   -0.2841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5940   -1.6703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4871    0.2814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8492    0.9676    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2147   -0.5531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9595   -1.8944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8664   -0.5427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3940   -1.9393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0009    0.9676    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5853   -0.8255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0595   -1.3772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8198    0.8780    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6543    0.8090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7543    0.0435    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8887    1.6987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1163    1.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0025    0.0538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9750    1.4297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8508   -0.0255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3439    0.6745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1922    0.6400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6301    1.3504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 16 19  2  0  0  0  0
 17 20  2  0  0  0  0
 17 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
  7  9  2  0  0  0  0
 12 15  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (124)
124

>  <Formula> (124)
C18H19N3O4S

>  <MolWeight> (124)
373.42616

>  <COMPOUND_NAME> (124)
WAY-217122

>  <BAR_CODE_NO> (124)
3917650

$$$$
WAY-231705-A
csChFnd80/06171916322D

 17 18  0  0  0  0  0  0  0  0999 V2000
    4.5601    3.8684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7164    5.0767    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7393    2.7511    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3940    4.5751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3940    3.1919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9888    3.8684    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1040    6.4219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2331    1.4971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1551    5.1984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2085    2.4318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1692    7.3872    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.7936    7.0603    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6240    1.2919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6252    8.6791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.5372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1333    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  2  0  0  0  0
  7  2  1  0  0  0  0
  8  3  1  0  0  0  0
  9  4  1  0  0  0  0
 10  5  1  0  0  0  0
 11  7  1  0  0  0  0
 12 11  1  0  0  0  0
 13  8  1  0  0  0  0
 14 11  1  0  0  0  0
 15 10  2  0  0  0  0
 16  9  2  0  0  0  0
 17 13  1  0  0  0  0
  5  4  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (125)
125

>  <Formula> (125)
C13H19N3O

>  <MolWeight> (125)
233.30946

>  <COMPOUND_NAME> (125)
WAY-231705-A

>  <BAR_CODE_NO> (125)
3916075

$$$$
WAY-237667-A
csChFnd80/06171916322D

 19 20  0  0  0  0  0  0  0  0999 V2000
   13.4480   -7.3230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2185   -5.6355    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2500   -9.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2500   -6.2915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2605   -8.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8435   -3.6980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5000   -7.2915    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.8435   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3750   -5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8750  -10.9480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9170   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4685   -5.2605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4685   -9.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9480    0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5105  -12.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1670  -14.4480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6665   -6.2915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6665   -8.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7915  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  2  0  0  0  0
  8  6  1  0  0  0  0
  9  8  2  0  0  0  0
 10  3  1  0  0  0  0
 11  8  1  0  0  0  0
 12  4  2  0  0  0  0
 13  5  2  0  0  0  0
 14 11  1  0  0  0  0
 15 10  1  0  0  0  0
 16 15  1  0  0  0  0
 17 12  1  0  0  0  0
 18 13  1  0  0  0  0
 19 16  1  0  0  0  0
  5  4  1  0  0  0  0
 18 17  2  0  0  0  0
M  END
>  <Mol_ID> (126)
126

>  <Formula> (126)
C14H19N3O2

>  <MolWeight> (126)
261.31956

>  <COMPOUND_NAME> (126)
WAY-237667-A

>  <BAR_CODE_NO> (126)
3917990

$$$$
CL-832417
csChFnd80/06171916322D

 15 15  0  0  0  0  0  0  0  0999 V2000
    0.8308    0.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4911    1.5656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8308   -0.7237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1453    1.5656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8019    0.7976    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.4911    3.0721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4911   -1.4917    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.1453   -1.4917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3453    0.7163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1637    3.1090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8019   -0.7237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1127    1.5656    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.4911   -3.0093    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.3453   -0.9563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0419   -2.4148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  7 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  1  0  0  0  0
  7 11  1  0  0  0  0
M  END
>  <Mol_ID> (127)
127

>  <Formula> (127)
C10H12Cl2O3

>  <MolWeight> (127)
251.10648

>  <COMPOUND_NAME> (127)
CL-832417

>  <BAR_CODE_NO> (127)
3917170

$$$$
WAY-310696
csChFnd80/06171916322D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -0.7995   -1.1093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0397   -0.2037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6568   -0.6361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2728   -2.5739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2880   -1.1053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0397    1.3261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9791    0.8651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8032   -1.6682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8189   -2.5739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7566   -0.6280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7016    2.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4477    1.3384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2636   -1.1909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6201    1.3261    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7016    3.6392    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5900    0.3144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0586    0.7795    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  2  0  0  0  0
 11 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12 16  2  0  0  0  0
 16 17  1  0  0  0  0
  5  9  1  0  0  0  0
 13 16  1  0  0  0  0
M  END
>  <Mol_ID> (128)
128

>  <Formula> (128)
C13H11FO3

>  <MolWeight> (128)
234.2230432

>  <COMPOUND_NAME> (128)
WAY-310696

>  <BAR_CODE_NO> (128)
3914945

$$$$
WAY-313364
csChFnd80/06171916322D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -0.8696   -0.6236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1133    0.2851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6633   -0.6695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3469   -2.0876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3617   -0.6236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1087    1.8134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4710    0.6477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3976   -2.0234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8889   -2.0876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8303   -0.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7732    2.5890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0130    0.5972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9350   -2.0647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5485    1.8134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7732    4.1264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7473   -0.7521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2894   -0.7980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  2  0  0  0  0
 11 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12 16  2  0  0  0  0
 16 17  1  0  0  0  0
  5  9  1  0  0  0  0
 13 16  1  0  0  0  0
M  END
>  <Mol_ID> (129)
129

>  <Formula> (129)
C14H14O3

>  <MolWeight> (129)
230.25916

>  <COMPOUND_NAME> (129)
WAY-313364

>  <BAR_CODE_NO> (129)
3918248

$$$$
WAY-230423
csChFnd80/06171916322D

 23 24  0  0  0  0  0  0  0  0999 V2000
    6.0320   -4.1405    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.0190   -4.1405    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.0255   -2.9650    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0320   -6.4410    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.0190   -6.4410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0255   -7.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0385   -2.9650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0130   -2.9650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0130   -7.5655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0255   -0.6645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0130   -0.6645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0385   -0.6265    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3070   -7.9745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0065   -4.1405    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0450   -4.1020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7315   -6.6840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0320    0.4470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9810    0.4470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -2.9650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0510   -2.9650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9810    2.7475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0320    2.7475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0255    3.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  6  1  0  0  0  0
  6  4  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  5  2  0  0  0  0
 10  3  1  0  0  0  0
 11  8  2  0  0  0  0
 12  7  2  0  0  0  0
 13  4  1  0  0  0  0
 14  8  1  0  0  0  0
 15  7  1  0  0  0  0
 16  4  1  0  0  0  0
 17 10  2  0  0  0  0
 18 10  1  0  0  0  0
 19 14  1  0  0  0  0
 20 15  1  0  0  0  0
 21 18  2  0  0  0  0
 22 17  1  0  0  0  0
 23 21  1  0  0  0  0
  2  5  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (130)
130

>  <Formula> (130)
C17H20O6

>  <MolWeight> (130)
320.3371

>  <COMPOUND_NAME> (130)
WAY-230423

>  <BAR_CODE_NO> (130)
3918206

$$$$
WAY-310318
csChFnd80/06171916322D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -0.2483    0.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9621    0.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3517   -0.1483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0172    1.0103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5241    0.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1172   -0.6759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9586    0.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7241    1.0103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2379    0.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8276   -0.9138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6724    0.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3862   -0.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2759    0.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9000   -0.6586    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1000   -0.6483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8828    0.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6517   -0.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
  7  8  1  0  0  0  0
 10 12  2  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (131)
131

>  <Formula> (131)
C13H10N2OS

>  <MolWeight> (131)
242.2963

>  <COMPOUND_NAME> (131)
WAY-310318

>  <BAR_CODE_NO> (131)
3914522

$$$$
WAY-344770
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
   10.1167   -4.2542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.8917   -1.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3417   -1.0167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8417   -1.7875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3417   -2.5500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.0542   -4.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3042   -2.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6542   -3.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4417   -2.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4417   -1.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2500   -2.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7125   -3.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1750   -4.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8667   -5.1625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6167   -2.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8292   -3.4167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6167   -0.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292   -4.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5292   -5.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5167   -3.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8042   -2.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8042   -1.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1292   -2.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9917   -2.7292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7167   -1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4625   -3.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4625   -5.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6542   -1.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1750   -2.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  2  2  0  0  0  0
  4  7  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7 11  1  0  0  0  0
  8  1  1  0  0  0  0
  9  5  1  0  0  0  0
 10  3  1  0  0  0  0
 11 12  2  0  0  0  0
 12  8  1  0  0  0  0
 13  1  2  0  0  0  0
 14  1  2  0  0  0  0
 15  9  2  0  0  0  0
 16  7  2  0  0  0  0
 17 10  2  0  0  0  0
 18 26  1  0  0  0  0
 19  6  1  0  0  0  0
 20  6  1  0  0  0  0
 21 15  1  0  0  0  0
 22 17  1  0  0  0  0
 23  8  2  0  0  0  0
 24 21  1  0  0  0  0
 25 28  2  0  0  0  0
 26 20  1  0  0  0  0
 27 19  1  0  0  0  0
 28 23  1  0  0  0  0
 29 24  1  0  0  0  0
 18 27  1  0  0  0  0
 11 25  1  0  0  0  0
  9 10  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (132)
132

>  <Formula> (132)
C19H19N3O5S2

>  <MolWeight> (132)
433.50126

>  <COMPOUND_NAME> (132)
WAY-344770

>  <BAR_CODE_NO> (132)
2555010

$$$$
CL-148617
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -1.0794   -0.0412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0794   -0.8826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3622    0.3795    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8070    0.3795    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8070   -1.2998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3553   -1.2998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3689    0.8002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0898    0.8036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5346   -0.0412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5346   -0.8826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3654   -0.8826    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3723    1.6416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0898    1.6450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2622    0.3795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2622   -1.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792   -0.4619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3654   -0.0446    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3654   -1.7170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3553    2.0657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9829   -0.0412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9829   -0.8826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792    0.3726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8068   -0.8826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8068    0.7830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5275   -0.4619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5275    0.3726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2551    0.7933    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9792    0.3761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7068    0.7933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9792   -0.4653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  2  0  0  0  0
 11 18  2  0  0  0  0
 12 19  1  0  0  0  0
 14 20  2  0  0  0  0
 15 21  2  0  0  0  0
 16 22  2  0  0  0  0
 16 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
  9 10  1  0  0  0  0
 13 19  1  0  0  0  0
 20 21  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (133)
133

>  <Formula> (133)
C21H23N5O3S

>  <MolWeight> (133)
425.50402

>  <COMPOUND_NAME> (133)
CL-148617

>  <BAR_CODE_NO> (133)
2555351

$$$$
WAY-343585
csChFnd80/06171916322D

 16 18  0  0  0  0  0  0  0  0999 V2000
    6.1250   -5.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4042   -5.6667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1167   -4.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4000   -4.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8417   -5.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6875   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6875   -4.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8292   -3.9917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9375   -6.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5917   -5.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9667   -5.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9667   -4.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1542   -5.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7417   -6.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2500   -4.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2500   -5.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8  3  1  0  0  0  0
  9  5  1  0  0  0  0
 10  5  1  0  0  0  0
 11  6  2  0  0  0  0
 12  7  2  0  0  0  0
 13 10  1  0  0  0  0
 14  9  1  0  0  0  0
 15 12  1  0  0  0  0
 16 11  1  0  0  0  0
 13 14  1  0  0  0  0
  7  6  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <Mol_ID> (134)
134

>  <Formula> (134)
C12H14N4

>  <MolWeight> (134)
214.26636

>  <COMPOUND_NAME> (134)
WAY-343585

>  <BAR_CODE_NO> (134)
2554179

$$$$
WAY-312241
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
    2.3345   -1.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3345    0.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9276   -1.5862    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6345   -1.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9276    0.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6345    1.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0690   -0.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9310   -1.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4655    2.2517    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.9310    0.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4379   -0.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2552   -1.8345    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.1724    0.9379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1724   -1.6517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6793    0.9379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6724    2.0448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4138   -0.3517    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0207    1.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8793   -0.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
  5  7  2  0  0  0  0
  8 10  2  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (135)
135

>  <Formula> (135)
C12H6Cl2N2OS2

>  <MolWeight> (135)
329.22484

>  <COMPOUND_NAME> (135)
WAY-312241

>  <BAR_CODE_NO> (135)
3916841

$$$$
WAY-119067
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -0.0690    0.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2414    0.0418    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2414    0.5004    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2103    0.2694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5103    0.1314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5103    0.4107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3483    0.0314    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7621   -0.0099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7621    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000   -0.2203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1103   -0.1203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6000    0.1694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000    0.1314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000    0.4107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7793   -0.2203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3483   -0.4686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9207   -0.4686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000   -0.7099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7793   -0.7099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  2  0  0  0  0
  7 12  2  0  0  0  0
  8 13  2  0  0  0  0
  9 14  2  0  0  0  0
 10 15  2  0  0  0  0
 10 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
  5  6  2  0  0  0  0
 13 14  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (136)
136

>  <Formula> (136)
C13H10N2O2S2

>  <MolWeight> (136)
290.3607

>  <COMPOUND_NAME> (136)
WAY-119067

>  <BAR_CODE_NO> (136)
3917891

$$$$
WAY-310423
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.4487   -0.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3107    0.0690    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7313   -0.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3107   -0.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1694    0.3207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0590   -0.0690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5487    0.2207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8797   -0.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4487   -0.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1204    0.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7313   -0.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2894    0.0897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2894    0.5517    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8797   -0.9103    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.5583    0.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5583    0.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7997    0.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7997    0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0514    0.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0514    0.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  8 11  2  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
  9 11  1  0  0  0  0
 15 16  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (137)
137

>  <Formula> (137)
C13H9ClN2O2S2

>  <MolWeight> (137)
324.80576

>  <COMPOUND_NAME> (137)
WAY-310423

>  <BAR_CODE_NO> (137)
3914637

$$$$
WAY-343819
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -1.5525    1.0362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5525    2.1225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6008    0.5225    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4732    0.5225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5870    2.7052    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4732    2.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3199    1.0569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4077    1.0569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3199    2.1018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4077    2.1018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2717    0.5569    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2717    2.6156    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2717   -0.3431    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2717   -1.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3199   -0.3293    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2958   -0.3293    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3544   -1.7810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1923   -1.7603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3751   -2.8603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1923   -2.8672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2992   -3.3741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2992   -4.1706    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 13 16  2  0  0  0  0
 14 17  2  0  0  0  0
 14 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 21 22  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (138)
138

>  <Formula> (138)
C14H9BrClN3O2S

>  <MolWeight> (138)
398.66216

>  <COMPOUND_NAME> (138)
WAY-343819

>  <BAR_CODE_NO> (138)
2554327

$$$$
WAY-344534
csChFnd80/06171916322D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -0.7250  -12.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9958  -10.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6417  -12.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3625   -2.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1750   -4.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0417   -8.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1792   -0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3000   -6.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6083  -14.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542  -14.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4083  -10.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9000   -8.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6625   -8.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1792  -10.4792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8000   -4.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9583   -0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0042   -2.3500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.7708   -2.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6583    2.1333    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  5  2  0  0  0  0
  5  8  1  0  0  0  0
  6 13  1  0  0  0  0
  7  4  1  0  0  0  0
  8  6  1  0  0  0  0
  9  1  2  0  0  0  0
 10  3  1  0  0  0  0
 11  2  1  0  0  0  0
 12  2  2  0  0  0  0
 13 11  1  0  0  0  0
 14  9  1  0  0  0  0
 15  6  2  0  0  0  0
 16  5  1  0  0  0  0
 17 19  1  0  0  0  0
 18  4  1  0  0  0  0
 19 16  2  0  0  0  0
 20 17  1  0  0  0  0
 14 10  2  0  0  0  0
 17  7  2  0  0  0  0
M  END
>  <Mol_ID> (139)
139

>  <Formula> (139)
C14H11Cl2NO3

>  <MolWeight> (139)
312.14804

>  <COMPOUND_NAME> (139)
WAY-344534

>  <BAR_CODE_NO> (139)
2554757

$$$$
WAY-344235
csChFnd80/06171916322D

 28 30  0  0  0  0  0  0  0  0999 V2000
    7.3125   -3.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6625   -3.0667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.6625   -4.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6042   -4.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4292   -3.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6042   -3.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6542   -8.0167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9792   -4.9167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2542   -7.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0667   -8.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6625   -5.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9792   -2.9917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0042   -5.9292    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   13.8875   -6.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1042   -6.8417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2417   -9.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7792   -5.8792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1042   -4.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2042   -6.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6417   -5.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6417   -2.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3542   -9.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6417  -10.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6667   -4.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6667   -3.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7542  -10.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8417  -11.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  9  1  0  0  0  0
  8  5  1  0  0  0  0
  9 19  1  0  0  0  0
 10  7  1  0  0  0  0
 11 18  1  0  0  0  0
 12  5  2  0  0  0  0
 13  3  1  0  0  0  0
 14  9  2  0  0  0  0
 15 11  2  0  0  0  0
 16 10  1  0  0  0  0
 17 11  1  0  0  0  0
 18  8  1  0  0  0  0
 19 17  1  0  0  0  0
 20  4  2  0  0  0  0
 21  6  2  0  0  0  0
 22 10  2  0  0  0  0
 23 16  1  0  0  0  0
 24 16  2  0  0  0  0
 25 20  1  0  0  0  0
 26 21  1  0  0  0  0
 27 22  1  0  0  0  0
 28 27  2  0  0  0  0
  4  6  1  0  0  0  0
 25 26  2  0  0  0  0
 24 28  1  0  0  0  0
M  END
>  <Mol_ID> (140)
140

>  <Formula> (140)
C20H17ClN2O4S

>  <MolWeight> (140)
416.87798

>  <COMPOUND_NAME> (140)
WAY-344235

>  <BAR_CODE_NO> (140)
2554582

$$$$
WAY-344200
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -2.6098    1.0639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0512    1.7639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2753    0.2259    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5063    1.1984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1615    1.6397    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3857    2.6053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4029    0.0846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8477    2.0397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8201    0.7984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2650    2.7466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0960   -0.7741    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0868    0.6846    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.2063   -0.9465    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6833   -1.1120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3788   -1.8361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0374   -0.0499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9833   -1.9706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2661   -0.4396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8661   -2.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1488   -0.5982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4385   -1.4396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3385   -1.5879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8937   -0.8879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5626   -0.0499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7764   -1.0292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 13 16  2  0  0  0  0
 14 17  1  0  0  0  0
 14 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (141)
141

>  <Formula> (141)
C16H13ClN4O3S

>  <MolWeight> (141)
376.81742

>  <COMPOUND_NAME> (141)
WAY-344200

>  <BAR_CODE_NO> (141)
2554486

$$$$
WAY-119063
csChFnd80/06171916322D

 20 21  0  0  0  0  0  0  0  0999 V2000
    2.0238    0.1320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3514    0.8045    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.9479    0.3838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7790   -0.7817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5204    0.3252    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0755    1.4217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7962    1.5872    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6307   -0.2852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4617   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3003    0.8010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3859   -1.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1245    0.3148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0686   -1.8783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9555    0.7941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7796    0.3183    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6141    0.7907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7796   -0.6335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4452    0.3148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6072   -1.1128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4348   -0.6369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  8 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
  9 11  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (142)
142

>  <Formula> (142)
C14H22N2O3S

>  <MolWeight> (142)
298.40108

>  <COMPOUND_NAME> (142)
WAY-119063

>  <BAR_CODE_NO> (142)
3917395

$$$$
WAY-312670
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -2.0793    0.7828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0793   -0.1552    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.2724    1.2483    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.1414   -0.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0414   -1.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9483    0.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4621    0.7828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7000    0.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0897    2.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4621   -0.1552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7000   -1.1517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3759   -0.6034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3379   -0.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0759   -0.9793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5759    0.6483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0517   -0.7172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5276    0.9621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2759    0.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7517   -1.4000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (143)
143

>  <Formula> (143)
C16H23BrN2

>  <MolWeight> (143)
323.27122

>  <COMPOUND_NAME> (143)
WAY-312670

>  <BAR_CODE_NO> (143)
3917331

$$$$
WAY-345532
csChFnd80/06171916322D

 19 20  0  0  0  0  0  0  0  0999 V2000
    4.2132    6.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9102    5.0823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4020    1.4029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8815    7.4491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4109    3.8646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1167    2.6316    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8522    6.2933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1867    0.7081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3954    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3175    5.0823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2065    3.8690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1167    5.0757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2198    8.6337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0146    3.8646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1970    7.4557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2403    7.4447    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.8735    7.4580    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8588    8.6359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.9602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  6  1  0  0  0  0
  4  1  1  0  0  0  0
  5 14  1  0  0  0  0
  6  5  1  0  0  0  0
  7  1  2  0  0  0  0
  8  3  1  0  0  0  0
  9  3  1  0  0  0  0
 10  2  1  0  0  0  0
 11  2  2  0  0  0  0
 12  5  2  0  0  0  0
 13  4  2  0  0  0  0
 14 10  1  0  0  0  0
 15  7  1  0  0  0  0
 16  4  1  0  0  0  0
 17 15  1  0  0  0  0
 18 15  2  0  0  0  0
 19 17  1  0  0  0  0
 13 18  1  0  0  0  0
  9  8  1  0  0  0  0
M  END
>  <Mol_ID> (144)
144

>  <Formula> (144)
C13H14ClNO3S

>  <MolWeight> (144)
299.77316

>  <COMPOUND_NAME> (144)
WAY-345532

>  <BAR_CODE_NO> (144)
2555783

$$$$
WAY-311916
csChFnd80/06171916322D

 18 19  0  0  0  0  0  0  0  0999 V2000
    0.1000   -2.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6897   -0.2207    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.0724   -3.7310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0931   -4.5207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0931   -0.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7621    1.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0207   -0.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8862   -2.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4241   -4.5207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4241   -0.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1310    3.7483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0345    1.2172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1586   -2.7966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6034   -2.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3517    5.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4034    4.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6517    5.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9724    2.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
  8 13  2  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
  7  8  1  0  0  0  0
 10 14  1  0  0  0  0
M  END
>  <Mol_ID> (145)
145

>  <Formula> (145)
C14H23NO3

>  <MolWeight> (145)
253.33732

>  <COMPOUND_NAME> (145)
WAY-311916

>  <BAR_CODE_NO> (145)
3916444

$$$$
WAY-311920
csChFnd80/06171916322D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -0.8138   -0.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0862    0.1517    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.5931   -1.3828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3138   -1.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3138    0.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8414   -0.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2069    1.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4207   -1.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3414   -1.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3586    0.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1207    1.5897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6414    1.7690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9414   -2.3690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8586   -0.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9414    0.9897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5414    1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7862    0.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3414    0.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  2  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
  6  8  1  0  0  0  0
 10 14  1  0  0  0  0
M  END
>  <Mol_ID> (146)
146

>  <Formula> (146)
C14H23NO3

>  <MolWeight> (146)
253.33732

>  <COMPOUND_NAME> (146)
WAY-311920

>  <BAR_CODE_NO> (146)
3916456

$$$$
WAY-219019
csChFnd80/06171916322D

 18 19  0  0  0  0  0  0  0  0999 V2000
    3.9155    3.3125    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.7913    2.4843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2081    1.1407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9485    4.6944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6339    1.1407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0508    2.4843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1604    5.3633    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4456    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7311    5.4018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3450    4.6559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0729    1.2559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1059    3.6689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5788    5.3633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6854    1.2559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7074    3.7072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5788    6.7453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7634    4.6559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8  5  2  0  0  0  0
  9  4  2  0  0  0  0
 10  7  1  0  0  0  0
 11  2  1  0  0  0  0
 12  2  1  0  0  0  0
 13 10  1  0  0  0  0
 14 11  1  0  0  0  0
 15 12  1  0  0  0  0
 16 13  1  0  0  0  0
 17 13  1  0  0  0  0
 18 15  1  0  0  0  0
  3  5  1  0  0  0  0
 18 14  1  0  0  0  0
M  END
>  <Mol_ID> (147)
147

>  <Formula> (147)
C14H23NO3

>  <MolWeight> (147)
253.33732

>  <COMPOUND_NAME> (147)
WAY-219019

>  <BAR_CODE_NO> (147)
3916453

$$$$
WAY-310820
csChFnd80/06171916322D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -1.8034   -0.7448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8034    0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6241   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9759   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6414    0.6000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.7276    1.6069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6414   -0.7448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6241   -2.8483    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1552   -0.7448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8172    1.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3310   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9931    0.6828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2552    1.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4345    0.6828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2552    2.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  9 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
  5  7  1  0  0  0  0
M  END
>  <Mol_ID> (148)
148

>  <Formula> (148)
C9H12N2O3S

>  <MolWeight> (148)
228.26818

>  <COMPOUND_NAME> (148)
WAY-310820

>  <BAR_CODE_NO> (148)
3915100

$$$$
WAY-310879
csChFnd80/06171916322D

 29 31  0  0  0  0  0  0  0  0999 V2000
   -0.3448   -0.7724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3690   -0.3586    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.3448   -1.5966    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0517   -0.3586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3690    0.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0828   -0.7724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0655   -2.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4828   -1.5828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0621   -2.2966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0517    0.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3448    0.8793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7931   -0.3586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0828   -1.5966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0517   -2.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7690   -1.5828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3448    1.7034    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7931    0.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7759   -3.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4793   -1.9966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3724    2.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7517    2.4172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1690    1.7034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5069    0.8793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4897   -2.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3621    2.9414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0828    1.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0862    3.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862    2.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8000    2.9414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  3  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  2  0  0  0  0
  7 14  1  0  0  0  0
  7 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 16 21  2  0  0  0  0
 16 22  2  0  0  0  0
 17 23  1  0  0  0  0
 18 24  1  0  0  0  0
 20 25  1  0  0  0  0
 20 26  2  0  0  0  0
 25 27  2  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 10 11  1  0  0  0  0
 19 24  2  0  0  0  0
 28 29  2  0  0  0  0
M  END
>  <Mol_ID> (149)
149

>  <Formula> (149)
C19H23N3O5S2

>  <MolWeight> (149)
437.53302

>  <COMPOUND_NAME> (149)
WAY-310879

>  <BAR_CODE_NO> (149)
3915173

$$$$
CL-415033
csChFnd80/06171916322D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -1.7957    0.1758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2504    0.1758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2913   -1.3002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7229    1.4174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2131   -1.3002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6448    1.4174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0551   -2.2007    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7566   -1.7957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2735    1.2735    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1048    2.8401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6838   -1.7957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1954    2.5311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8614   -0.7567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7140    2.3446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3055   -1.2096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5524    0.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4671   -0.1758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6359   -2.7389    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6874    1.8064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1581    1.3108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2930    2.3446    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
  5  7  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (150)
150

>  <Formula> (150)
C15H13Cl2NO3

>  <MolWeight> (150)
326.17462

>  <COMPOUND_NAME> (150)
CL-415033

>  <BAR_CODE_NO> (150)
3917583

$$$$
WAY-312324
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
    0.4483   -0.1862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2828    0.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000   -0.9966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1655    0.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9931   -0.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000   -1.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1379    1.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9517   -1.0379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9069    1.6621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6414   -1.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6345   -2.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5517   -0.9379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8483    2.9966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2000    3.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1517   -2.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9172    3.9483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3000    4.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1207   -3.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1483    4.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9345   -3.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5724   -3.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2483    5.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8000   -4.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9828   -4.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 15  2  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  2  0  0  0  0
 17 20  1  0  0  0  0
 18 21  2  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
 23 26  1  0  0  0  0
  6  9  1  0  0  0  0
 19 21  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (151)
151

>  <Formula> (151)
C21H30N2O3

>  <MolWeight> (151)
358.4745

>  <COMPOUND_NAME> (151)
WAY-312324

>  <BAR_CODE_NO> (151)
3916944

$$$$
WAY-310710
csChFnd80/06171916322D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -0.7828    1.7828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1759    1.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7241    1.2448    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.7828    2.8655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1552    0.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1172    1.7621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6621    1.7828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7241    0.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7241    3.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0966   -0.3966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6621    2.8655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0966   -1.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0172   -2.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1552   -2.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0172   -3.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9759   -1.4759    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.1379   -3.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0966   -3.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  7 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
  9 11  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (152)
152

>  <Formula> (152)
C14H18FNO2

>  <MolWeight> (152)
251.2966232

>  <COMPOUND_NAME> (152)
WAY-310710

>  <BAR_CODE_NO> (152)
3914965

$$$$
WAY-311461
csChFnd80/06171916322D

 23 26  0  0  0  0  0  0  0  0999 V2000
   -0.1724   -0.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3897   -0.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7345   -0.4310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1724    0.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9483   -0.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3897   -1.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2862   -0.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7345    0.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5138   -0.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9483   -1.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2862    0.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8517   -0.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7345    1.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5138   -1.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0655   -0.0931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8517    0.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4103   -0.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1724    1.8448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2862    1.8448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0655   -1.3759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6276   -0.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4103    0.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6276   -1.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  2  0  0  0  0
  9 15  1  0  0  0  0
 11 16  1  0  0  0  0
 12 17  2  0  0  0  0
 13 18  1  0  0  0  0
 13 19  2  0  0  0  0
 14 20  1  0  0  0  0
 15 21  1  0  0  0  0
 16 22  2  0  0  0  0
 20 23  1  0  0  0  0
  8 11  2  0  0  0  0
 10 14  1  0  0  0  0
 17 22  1  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (153)
153

>  <Formula> (153)
C18H13NO4

>  <MolWeight> (153)
307.30012

>  <COMPOUND_NAME> (153)
WAY-311461

>  <BAR_CODE_NO> (153)
3915850

$$$$
WAY-312497
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
    1.7034    1.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7034    0.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5172    1.8828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8828    1.8828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9828    0.0621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5172    0.0138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5172    2.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3276    1.4138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8828    2.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2552    0.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0172   -0.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7034    3.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1276    1.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4448    0.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3172   -1.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4172   -0.7931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1172   -1.2172    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8034   -0.8379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6172   -2.1172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6655   -2.1172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3828   -1.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0655   -0.7931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3828   -1.9586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7517   -1.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0655   -2.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7517   -1.9586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 17 20  2  0  0  0  0
 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
  9 12  2  0  0  0  0
 15 16  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <Mol_ID> (154)
154

>  <Formula> (154)
C19H22N2O4S

>  <MolWeight> (154)
374.45398

>  <COMPOUND_NAME> (154)
WAY-312497

>  <BAR_CODE_NO> (154)
3917139

$$$$
WAY-310313
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
    2.4276    0.1345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2552    0.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3034   -0.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6655    0.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3655    1.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9621   -0.0655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4276   -1.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7793    0.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1897    1.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7793    0.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6655   -0.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9034    1.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1103   -1.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8103   -0.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1207   -1.9276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5138   -1.0241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2138   -0.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2103    0.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9207   -1.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9103    0.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6207   -0.6034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6138    0.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3241    0.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0448    0.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3207    1.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  9 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (155)
155

>  <Formula> (155)
C20H25N3O2

>  <MolWeight> (155)
339.4314

>  <COMPOUND_NAME> (155)
WAY-310313

>  <BAR_CODE_NO> (155)
3914517

$$$$
WAY-310312
csChFnd80/06171916322D

 33 36  0  0  0  0  0  0  0  0999 V2000
   -1.9321   -0.3407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2045    0.0696    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6493    0.0731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9355   -1.1787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4838   -0.3545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1976    0.9041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3769   -0.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6424    0.9144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2148   -1.6028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6665   -1.5890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2438    0.0593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4734    1.3144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1010    0.0869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3665    1.3351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2217   -2.4373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6734   -2.4304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2438    0.8903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0941    0.9213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9528   -2.8476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9714    1.3041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6921    0.8869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9714    2.1386    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6886    0.0489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4162    1.3007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4128   -0.3614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1404    0.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1335    0.0489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4093   -1.1993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8645    1.3007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8610   -0.3649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6852   -1.6166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8645    2.1317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5886    0.0455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  2  0  0  0  0
  9 15  1  0  0  0  0
 10 16  2  0  0  0  0
 11 17  1  0  0  0  0
 13 18  2  0  0  0  0
 15 19  2  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
 21 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  2  0  0  0  0
 25 28  1  0  0  0  0
 26 29  1  0  0  0  0
 27 30  1  0  0  0  0
 28 31  1  0  0  0  0
 29 32  1  0  0  0  0
 30 33  1  0  0  0  0
 12 17  1  0  0  0  0
 14 18  1  0  0  0  0
 16 19  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (156)
156

>  <Formula> (156)
C27H30N2O4

>  <MolWeight> (156)
446.5381

>  <COMPOUND_NAME> (156)
WAY-310312

>  <BAR_CODE_NO> (156)
3914516

$$$$
WAY-310707-A
csChFnd80/06171916322D

 17 18  0  0  0  0  0  0  0  0999 V2000
    2.5073   -0.4945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5073    0.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4453   -1.0738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5246   -1.1049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4453    1.3262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5246    1.3262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4039   -0.4945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5246   -2.3186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4039    0.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5418    2.5158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6065   -1.1152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1203   -1.0083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1754   -0.3980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1754    0.8089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3341   -0.7842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3409    1.1814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0754    0.2089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
  7  9  2  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (157)
157

>  <Formula> (157)
C14H21NO2

>  <MolWeight> (157)
235.32204

>  <COMPOUND_NAME> (157)
WAY-310707-A

>  <BAR_CODE_NO> (157)
3914960

$$$$
WAY-345592
csChFnd80/06171916322D

 22 23  0  0  0  0  0  0  0  0999 V2000
    8.5500   -4.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2292   -2.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1667   -0.5167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6292   -6.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4167   -4.1917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3500   -2.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5542   -7.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7542   -6.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7292   -9.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8042   -7.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6042   -9.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6000   -2.3167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1667   -4.2042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5167  -11.5417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9250   -7.8917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417   -0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2375    1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5667  -13.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333    1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1750    3.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0375    3.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  6  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7  4  2  0  0  0  0
  8  4  1  0  0  0  0
  9 10  1  0  0  0  0
 10  8  2  0  0  0  0
 11  7  1  0  0  0  0
 12  1  2  0  0  0  0
 13  2  2  0  0  0  0
 14 11  1  0  0  0  0
 15 10  1  0  0  0  0
 16  3  1  0  0  0  0
 17  3  1  0  0  0  0
 18 14  1  0  0  0  0
 19 15  1  0  0  0  0
 20 16  1  0  0  0  0
 21 17  1  0  0  0  0
 22 21  1  0  0  0  0
 11  9  2  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (158)
158

>  <Formula> (158)
C16H22N2O4

>  <MolWeight> (158)
306.35688

>  <COMPOUND_NAME> (158)
WAY-345592

>  <BAR_CODE_NO> (158)
2555843

$$$$
WAY-345594
csChFnd80/06171916322D

 23 24  0  0  0  0  0  0  0  0999 V2000
    8.5792   -7.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0125   -9.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1625   -8.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6000  -10.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8750   -9.8167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2917   -8.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0417  -11.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7375  -10.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7542  -12.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3042  -11.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6167  -12.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4500   -7.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1500   -6.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5542   -8.7917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6042   -9.8542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5625   -5.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8625   -6.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0542  -13.7250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4417  -11.7250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4042   -5.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6250  -14.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -10.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8167   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  6  1  0  0  0  0
  6  3  1  0  0  0  0
  7  4  2  0  0  0  0
  8  4  1  0  0  0  0
  9 10  1  0  0  0  0
 10  8  2  0  0  0  0
 11  7  1  0  0  0  0
 12  1  1  0  0  0  0
 13  1  1  0  0  0  0
 14  2  2  0  0  0  0
 15  3  2  0  0  0  0
 16 13  1  0  0  0  0
 17 12  1  0  0  0  0
 18 11  1  0  0  0  0
 19 10  1  0  0  0  0
 20 16  1  0  0  0  0
 21 18  1  0  0  0  0
 22 19  1  0  0  0  0
 23 20  1  0  0  0  0
 17 20  1  0  0  0  0
 11  9  2  0  0  0  0
M  END
>  <Mol_ID> (159)
159

>  <Formula> (159)
C17H24N2O4

>  <MolWeight> (159)
320.38346

>  <COMPOUND_NAME> (159)
WAY-345594

>  <BAR_CODE_NO> (159)
2555800

$$$$
WAY-312993-A
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
    1.7097    2.0019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8855    2.4777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7097    1.0570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4131    2.6260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0717    2.0019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0890    3.4088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8855    0.5846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0338    3.5019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0717    1.0570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8821   -0.3602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0648   -0.8326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7524   -0.3568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5765   -0.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5800   -1.7740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4007   -2.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7593   -2.2533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4007   -3.1912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7627   -3.2016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5834   -3.6671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  2  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (160)
160

>  <Formula> (160)
C16H17NO2

>  <MolWeight> (160)
255.31168

>  <COMPOUND_NAME> (160)
WAY-312993-A

>  <BAR_CODE_NO> (160)
3917760

$$$$
WAY-311712
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    2.9414    0.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9414   -0.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2172    0.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6966    0.5448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2172   -0.9138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6966   -0.7552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5172    0.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1621   -0.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5172   -0.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8172    0.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1103    0.3241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6897    0.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3310   -0.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0517    1.0724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1103    0.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6828   -0.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2379    0.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4517   -0.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5310   -1.2862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0034    1.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6241    0.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1310   -1.7931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  2  0  0  0  0
 18 21  2  0  0  0  0
 19 22  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (161)
161

>  <Formula> (161)
C17H17NO4

>  <MolWeight> (161)
299.32118

>  <COMPOUND_NAME> (161)
WAY-311712

>  <BAR_CODE_NO> (161)
3916185

$$$$
CL-84745
csChFnd80/06171916322D

  9  9  0  0  0  0  0  0  0  0999 V2000
    0.0582    0.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1728   -0.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0582    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2893   -0.1517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0901   -0.4207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4521   -0.0586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1901    0.4414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2996    0.4414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1996   -0.4207    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5  9  1  0  0  0  0
M  END
>  <Mol_ID> (162)
162

>  <Formula> (162)
C3H3N3O2S

>  <MolWeight> (162)
145.13982

>  <COMPOUND_NAME> (162)
CL-84745

>  <BAR_CODE_NO> (162)
3917189

$$$$
CL-430760
csChFnd80/06171916322D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -1.2222   -1.0728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1188   -0.4349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3257   -0.4349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3257   -1.7383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1981   -1.6763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1188    0.8203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9847   -1.0728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3257    0.8203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3257   -2.9383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1981   -2.9383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2222    1.4479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9847    1.4479    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0881   -0.4349    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9847   -2.3108    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4153    1.4479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2636   -3.5659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2222    2.7099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0881    0.8203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3981    2.7099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2946    3.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1778    1.4306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2088    0.7651    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2743    1.3755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1847   -0.5142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  2  0  0  0  0
  8 15  1  0  0  0  0
  9 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  2  0  0  0  0
 15 19  2  0  0  0  0
 17 20  2  0  0  0  0
 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
  8 11  2  0  0  0  0
 10 16  1  0  0  0  0
 13 18  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (163)
163

>  <Formula> (163)
C20H25N3O

>  <MolWeight> (163)
323.432

>  <COMPOUND_NAME> (163)
CL-430760

>  <BAR_CODE_NO> (163)
3917667

$$$$
WAY-239809
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    5.2365    4.2180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2365    6.2425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9820    3.0545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8725    4.2180    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9820    7.2725    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8725    6.2425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4910    3.0545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4910    7.2725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7455    6.2425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7455    4.2180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9820    1.0180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6180    7.2725    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7455    2.0365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2365    2.0365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4910    9.3090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.2725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000    6.2425    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3635    6.2425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1090    7.2725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2365    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7455   10.3150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.3090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9 10  1  0  0  0  0
 10  7  1  0  0  0  0
 11  3  2  0  0  0  0
 12  6  1  0  0  0  0
 13  7  1  0  0  0  0
 14  7  1  0  0  0  0
 15  8  1  0  0  0  0
 16  9  1  0  0  0  0
 17 19  1  0  0  0  0
 18 12  1  0  0  0  0
 19 18  1  0  0  0  0
 20 14  1  0  0  0  0
 21 13  1  0  0  0  0
 22 15  2  0  0  0  0
 23 16  2  0  0  0  0
  8  9  2  0  0  0  0
  6  5  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (164)
164

>  <Formula> (164)
C18H23N3O2

>  <MolWeight> (164)
313.39412

>  <COMPOUND_NAME> (164)
WAY-239809

>  <BAR_CODE_NO> (164)
3916619

$$$$
WAY-345253
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
    9.3917   -7.3542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7417   -6.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2042   -7.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7792   -5.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8292   -6.2417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1000   -8.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.5542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8750   -5.8292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8167   -7.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5125   -8.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6042   -5.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8125   -4.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6375   -7.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2792   -8.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1667   -8.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9125   -6.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9917   -9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7250   -7.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8542   -3.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2250   -4.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8292   -6.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7917   -3.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0667   -3.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6625   -5.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8250   -2.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8875   -2.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2792   -4.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8667   -1.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  9  3  0  0  0  0
  8  2  2  0  0  0  0
  9 13  1  0  0  0  0
 10  3  2  0  0  0  0
 11  4  1  0  0  0  0
 12  4  1  0  0  0  0
 13 16  1  0  0  0  0
 14  6  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 14  2  0  0  0  0
 18 14  1  0  0  0  0
 19 12  2  0  0  0  0
 20 11  2  0  0  0  0
 21 11  1  0  0  0  0
 22 12  1  0  0  0  0
 23 20  1  0  0  0  0
 24 21  2  0  0  0  0
 25 22  2  0  0  0  0
 26 19  1  0  0  0  0
 27 24  1  0  0  0  0
 28 25  1  0  0  0  0
  5  4  1  0  0  0  0
 15 13  2  0  0  0  0
 28 26  2  0  0  0  0
 27 23  2  0  0  0  0
M  END
>  <Mol_ID> (165)
165

>  <Formula> (165)
C23H17N3O2

>  <MolWeight> (165)
367.39998

>  <COMPOUND_NAME> (165)
WAY-345253

>  <BAR_CODE_NO> (165)
2555484

$$$$
WAY-345401
csChFnd80/06171916322D

 18 19  0  0  0  0  0  0  0  0999 V2000
   15.8750   -9.9542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.9417   -9.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000   -5.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2375   -7.3417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -11.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8875  -11.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1542  -12.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7250   -3.9375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2042   -7.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7625   -3.4167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5292   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8750   -3.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167   -3.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9292   -5.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9292   -1.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0417   -5.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0417   -1.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292   -3.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  2  0  0  0  0
  7  5  2  0  0  0  0
  8  3  2  0  0  0  0
  9  2  1  0  0  0  0
 10 11  1  0  0  0  0
 11  3  1  0  0  0  0
 12 10  1  0  0  0  0
 13 17  2  0  0  0  0
 14 12  1  0  0  0  0
 15 12  2  0  0  0  0
 16 14  2  0  0  0  0
 17 15  1  0  0  0  0
 18 13  1  0  0  0  0
  6  7  1  0  0  0  0
 13 16  1  0  0  0  0
M  END
>  <Mol_ID> (166)
166

>  <Formula> (166)
C14H15NO2S

>  <MolWeight> (166)
261.3394

>  <COMPOUND_NAME> (166)
WAY-345401

>  <BAR_CODE_NO> (166)
2555596

$$$$
WAY-310584
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
    1.2724    1.5793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9931    1.9793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3138    0.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5414    1.9793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9931    2.9207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8138    1.5276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6138    0.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1690    1.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2207    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7414    3.4690    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1379    0.7207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5621    4.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4931    4.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8276    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -0.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6379    0.7690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5690   -1.1207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6379   -2.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8586   -2.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4862   -2.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9379   -3.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5793   -3.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8207   -3.9517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9276   -4.8724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1690   -5.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
  8 11  1  0  0  0  0
 12 13  2  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (167)
167

>  <Formula> (167)
C18H20N2O4S

>  <MolWeight> (167)
360.4274

>  <COMPOUND_NAME> (167)
WAY-310584

>  <BAR_CODE_NO> (167)
3914818

$$$$
WAY-310386
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -0.8346   -0.2999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5484   -1.0033    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1275   -0.5654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0863    0.6691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0518   -1.8723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3691   -1.5723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1863   -0.2309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8413    0.1380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3760    1.3691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5587   -2.7344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0518   -1.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5896    1.1035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0656   -3.6033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4413   -2.7482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2999    1.8070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0656   -3.6102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0482    2.7760    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2654    1.5415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4309   -4.4792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7585    3.4760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0827    3.0415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4309   -4.4861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5068    4.4449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1691    4.0070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5413    4.7104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 17 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 23 25  1  0  0  0  0
  9 12  1  0  0  0  0
 14 16  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (168)
168

>  <Formula> (168)
C17H24N2O5S

>  <MolWeight> (168)
368.44786

>  <COMPOUND_NAME> (168)
WAY-310386

>  <BAR_CODE_NO> (168)
3944600

$$$$
GI-522728
csChFnd80/06171916322D

 24 25  0  0  0  0  0  0  0  0999 V2000
   -0.0240   -0.0555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4551   -0.3037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4139   -0.3037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0240    0.4445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4551   -0.8037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8930   -0.0555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4139   -0.8037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8449   -0.0555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4240    0.7445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3863    0.7445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0240   -1.0555    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8930   -1.0555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3240   -0.3037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8930    0.4445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8449   -1.0555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2760   -0.3037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8449    0.4445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2758    1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2242    1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7551   -0.0555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7139   -0.0555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5242    1.6238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1930   -0.3037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1449   -0.3037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  2  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  2  0  0  0  0
  9 18  1  0  0  0  0
 10 19  1  0  0  0  0
 13 20  1  0  0  0  0
 16 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
  7 11  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (169)
169

>  <Formula> (169)
C18H23NO5

>  <MolWeight> (169)
333.37892

>  <COMPOUND_NAME> (169)
GI-522728

>  <BAR_CODE_NO> (169)
3915140

$$$$
WAY-311613
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.4427    0.1498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5082   -1.2192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6047    0.8946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7711    0.7808    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6401   -1.9640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7323   -1.8502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8254    0.2636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5392    2.2670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9297    0.0360    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8677   -1.3295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5746   -3.3364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7944   -3.2226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9806    1.0084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6944    3.0118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1539    0.6670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0228   -2.0744    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6392   -3.9675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9185    2.3808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2194    2.0429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0608    2.7877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4401    2.6739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  2  0  0  0  0
 11 17  2  0  0  0  0
 13 18  1  0  0  0  0
 15 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
  9 10  1  0  0  0  0
 12 17  1  0  0  0  0
 14 18  2  0  0  0  0
M  END
>  <Mol_ID> (170)
170

>  <Formula> (170)
C16H12N2O3

>  <MolWeight> (170)
280.27808

>  <COMPOUND_NAME> (170)
WAY-311613

>  <BAR_CODE_NO> (170)
3916042

$$$$
WAY-311808
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -0.1518   -0.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1518    1.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5482   -0.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8311   -0.5828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5551    1.7172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8691    1.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5482   -1.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2344   -0.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8277   -1.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5173   -0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5482    2.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2723    1.3172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8794    2.5207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1311   -1.7690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9206   -0.5586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2620    0.5207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2070   -0.6069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5277    0.5828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1760    2.9448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9861    1.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1173   -2.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6068   -0.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8932   -0.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5001   -3.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2999   -3.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  2  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  2  0  0  0  0
 10 17  1  0  0  0  0
 10 18  2  0  0  0  0
 11 19  2  0  0  0  0
 12 20  1  0  0  0  0
 14 21  1  0  0  0  0
 15 22  1  0  0  0  0
 17 23  1  0  0  0  0
 21 24  1  0  0  0  0
 21 25  1  0  0  0  0
  9 14  1  0  0  0  0
 13 19  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (171)
171

>  <Formula> (171)
C19H21NO5

>  <MolWeight> (171)
343.37374

>  <COMPOUND_NAME> (171)
WAY-311808

>  <BAR_CODE_NO> (171)
3916313

$$$$
CL-414603
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    2.0627   -0.7230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1593   -0.6851    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0627    0.1080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8179   -1.1851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4214   -1.0644    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1593    0.0459    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1834   -1.3265    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8179    0.5253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5834   -0.7644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3821   -0.5644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5834    0.1080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3821    0.1770    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9614   -0.9541    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.3386    0.5253    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.7649    0.1356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7649   -0.6058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5338    0.5942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5338    1.4908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3200    0.1356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3200    1.9425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1131    0.5942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1131    1.4908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
  9 11  2  0  0  0  0
 15 16  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (172)
172

>  <Formula> (172)
C15H11ClN2O2S2

>  <MolWeight> (172)
350.84304

>  <COMPOUND_NAME> (172)
CL-414603

>  <BAR_CODE_NO> (172)
3915146

$$$$
WAY-345661
csChFnd80/06171916322D

 33 36  0  0  0  0  0  0  0  0999 V2000
    1.6917   -3.3542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5250   -1.9375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2375  -11.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7875  -10.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0417  -10.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8750   -4.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2292   -8.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6042  -11.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5917   -8.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1500   -1.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7125   -0.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7000   -8.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0542  -13.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1167   -4.1667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792   -2.5250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6917   -6.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1292    0.8708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8875   -7.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917  -13.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3292   -8.9542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1542  -10.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500   -0.5250    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5042    0.8708    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.0417   -7.5250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8875  -10.3667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2417  -14.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6167  -14.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583   -4.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0542  -16.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7375   -7.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5500   -6.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6667    2.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5625   -0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  8  1  0  0  0  0
  4 21  1  0  0  0  0
  5  7  1  0  0  0  0
  6  1  1  0  0  0  0
  7  9  1  0  0  0  0
  8  4  1  0  0  0  0
  9  4  2  0  0  0  0
 10  2  1  0  0  0  0
 11  2  1  0  0  0  0
 12 18  1  0  0  0  0
 13  3  2  0  0  0  0
 14  1  2  0  0  0  0
 15  1  2  0  0  0  0
 16  6  2  0  0  0  0
 17 23  1  0  0  0  0
 18 16  1  0  0  0  0
 19  8  2  0  0  0  0
 20 12  1  0  0  0  0
 21 20  1  0  0  0  0
 22 10  1  0  0  0  0
 23 11  1  0  0  0  0
 24  7  2  0  0  0  0
 25 12  2  0  0  0  0
 26 27  2  0  0  0  0
 27 19  1  0  0  0  0
 28  6  1  0  0  0  0
 29 26  1  0  0  0  0
 30 31  1  0  0  0  0
 31 28  2  0  0  0  0
 32 23  1  0  0  0  0
 33 22  1  0  0  0  0
 17 22  1  0  0  0  0
 30 18  2  0  0  0  0
  3  5  1  0  0  0  0
 13 26  1  0  0  0  0
M  END
>  <Mol_ID> (173)
173

>  <Formula> (173)
C23H23NO8S

>  <MolWeight> (173)
473.49562

>  <COMPOUND_NAME> (173)
WAY-345661

>  <BAR_CODE_NO> (173)
2555865

$$$$
WAY-312229
csChFnd80/06171916322D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -1.2276    0.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2276    0.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5897   -0.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8655   -0.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5897    1.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8655    1.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0552    0.0828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5897   -1.0207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5069    0.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0552    0.8310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5897    1.9448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5069    0.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7103   -0.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7103   -1.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3552   -1.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0103   -1.0552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3552   -2.1966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0103   -0.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6552    0.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6552    0.8034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
  7 10  1  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <Mol_ID> (174)
174

>  <Formula> (174)
C13H15N3O4

>  <MolWeight> (174)
277.2759

>  <COMPOUND_NAME> (174)
WAY-312229

>  <BAR_CODE_NO> (174)
3916829

$$$$
WAY-312517
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -0.7069    0.2448    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.4241   -0.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7069    1.0690    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0000   -0.1621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1345    0.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4241   -0.9793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4241    1.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7138    0.2448    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.8483   -0.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1448    1.0690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1448   -1.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7138    1.0690    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.0069    2.3103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4276   -0.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8483   -0.9931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1448   -2.2172    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.4310    1.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1379    0.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4276   -0.9931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8517   -0.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1310    1.0690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1379   -1.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8552   -0.9931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1310   -2.2310    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  7 14  2  0  0  0  0
  9 15  1  0  0  0  0
 10 16  2  0  0  0  0
 12 17  1  0  0  0  0
 13 18  1  0  0  0  0
 15 19  1  0  0  0  0
 15 20  2  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 23 25  1  0  0  0  0
  9 13  1  0  0  0  0
 12 16  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (175)
175

>  <Formula> (175)
C19H19Br2NO3

>  <MolWeight> (175)
469.16706

>  <COMPOUND_NAME> (175)
WAY-312517

>  <BAR_CODE_NO> (175)
3917164

$$$$
WAY-312733
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -0.4897    0.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8172    0.6621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1690    0.0759    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.9414   -0.3966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4690    0.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4828    1.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4966   -0.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4966    0.6517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5172   -0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0310    0.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1862    1.2241    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.1586   -0.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1690   -1.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1172   -0.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6310    0.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5586    1.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4862   -1.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5103    0.0621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5103   -1.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6690   -0.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2172    1.7759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2483    2.3897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1483   -1.6621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2310    0.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4586   -2.2621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1172   -2.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  2  0  0  0  0
  7 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 12 18  1  0  0  0  0
 13 19  2  0  0  0  0
 14 20  2  0  0  0  0
 16 21  1  0  0  0  0
 16 22  2  0  0  0  0
 17 23  2  0  0  0  0
 18 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
  5  9  2  0  0  0  0
  8 11  1  0  0  0  0
 15 20  1  0  0  0  0
 19 23  1  0  0  0  0
M  END
>  <Mol_ID> (176)
176

>  <Formula> (176)
C20H20N2O4

>  <MolWeight> (176)
352.3838

>  <COMPOUND_NAME> (176)
WAY-312733

>  <BAR_CODE_NO> (176)
3917422

$$$$
WAY-345414
csChFnd80/06171916322D

 24 25  0  0  0  0  0  0  0  0999 V2000
    7.5292   -3.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1667   -7.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6000   -6.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0875   -4.9375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3792   -3.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3042   -7.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7792   -5.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1167   -2.9625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8125   -2.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4667   -6.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9042   -5.9375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2125   -6.9167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1667   -5.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2167   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8625   -6.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6042   -8.8667    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.6792   -2.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2917   -5.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.8875    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.1125   -1.9542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8125   -4.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6792   -4.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1042   -3.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6792   -0.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3 10  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7 14  1  0  0  0  0
  8  1  2  0  0  0  0
  9  5  2  0  0  0  0
 10 11  1  0  0  0  0
 11  7  1  0  0  0  0
 12  7  2  0  0  0  0
 13  3  1  0  0  0  0
 14  4  1  0  0  0  0
 15 18  1  0  0  0  0
 16  2  1  0  0  0  0
 17  9  1  0  0  0  0
 18 13  2  0  0  0  0
 19 15  1  0  0  0  0
 20 17  1  0  0  0  0
 21  5  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 20  1  0  0  0  0
 23 17  2  0  0  0  0
  6 15  2  0  0  0  0
M  END
>  <Mol_ID> (177)
177

>  <Formula> (177)
C17H15ClFNO4

>  <MolWeight> (177)
351.7567032

>  <COMPOUND_NAME> (177)
WAY-345414

>  <BAR_CODE_NO> (177)
2555612

$$$$
GI-555584
csChFnd80/06171916322D

 15 17  0  0  0  0  0  0  0  0999 V2000
    0.0722   -0.1688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1588    0.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3032    0.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1032   -0.4481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0692    0.2726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4381   -0.0584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2101    0.2726    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5619   -0.1101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3619   -0.5584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2588    0.4830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6278    0.1519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5929   -0.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7929    0.0519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5381    0.4209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9071    0.0899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  8 12  1  0  0  0  0
  8 13  2  0  0  0  0
 10 14  2  0  0  0  0
 11 15  1  0  0  0  0
  5  7  1  0  0  0  0
  9 12  1  0  0  0  0
 11 14  1  0  0  0  0
M  END
>  <Mol_ID> (178)
178

>  <Formula> (178)
C13H13NO

>  <MolWeight> (178)
199.24842

>  <COMPOUND_NAME> (178)
GI-555584

>  <BAR_CODE_NO> (178)
3917352

$$$$
CL-394897
csChFnd80/06171916322D

 25 26  0  0  0  0  0  0  0  0999 V2000
   -0.0752    0.1805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8973   -0.3644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0338   -0.3851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0820    1.2977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8973   -1.4851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8766    0.1977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0338   -1.4747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0441    0.1598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0441    1.8598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8869    1.8701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0752   -2.0368    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8766   -2.0782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8455   -0.3540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8869    1.3184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0441   -2.0195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0027   -0.4437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0820    1.2873    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0545    2.9805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8869    2.9805    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0752   -3.1575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8145    0.2080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9717   -1.5816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0924    3.5253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7662   -0.3471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9234   -2.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  2  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  2  0  0  0  0
  9 18  2  0  0  0  0
 10 19  1  0  0  0  0
 11 20  1  0  0  0  0
 13 21  1  0  0  0  0
 16 22  1  0  0  0  0
 18 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
  7 11  1  0  0  0  0
 19 23  2  0  0  0  0
M  END
>  <Mol_ID> (179)
179

>  <Formula> (179)
C19H24N2O4

>  <MolWeight> (179)
344.40486

>  <COMPOUND_NAME> (179)
CL-394897

>  <BAR_CODE_NO> (179)
3916123

$$$$
WAY-312800
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    0.3393    0.0889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1221   -0.3697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3393    0.9786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4434   -0.3697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1221   -1.2697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9048    0.0786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1083    1.4268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4331    1.4268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4434   -1.2697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3393   -1.7180    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8910   -1.7180    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6738    0.5096    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1221    2.3268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4434    2.3406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2124   -1.7180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3393    2.7855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2124   -2.6180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9952   -1.2697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3393    3.6751    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9848   -3.0766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7917   -1.7180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0979    4.1096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7779   -2.6318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  3  0  0  0  0
  7 13  1  0  0  0  0
  8 14  2  0  0  0  0
  9 15  1  0  0  0  0
 13 16  2  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  2  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
  9 10  2  0  0  0  0
 14 16  1  0  0  0  0
 21 23  2  0  0  0  0
M  END
>  <Mol_ID> (180)
180

>  <Formula> (180)
C19H15N3O

>  <MolWeight> (180)
301.3419

>  <COMPOUND_NAME> (180)
WAY-312800

>  <BAR_CODE_NO> (180)
3917510

$$$$
WAY-311502
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    1.1103    0.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4655   -0.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1000    0.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7586   -0.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2241   -0.0724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3897   -1.1241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7517    1.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4103    0.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7241   -0.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3483   -1.2724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    0.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7483    1.8897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0586   -0.3552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4655   -0.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3966    2.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7000    0.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9103   -1.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7724    0.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6621   -1.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5138    0.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9621   -0.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7034   -0.2966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0103    0.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
  8 11  2  0  0  0  0
  9 10  2  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (181)
181

>  <Formula> (181)
C17H16N2O4

>  <MolWeight> (181)
312.31994

>  <COMPOUND_NAME> (181)
WAY-311502

>  <BAR_CODE_NO> (181)
3915895

$$$$
WAY-343867
csChFnd80/06171916322D

 25 26  0  0  0  0  0  0  0  0999 V2000
    2.0042   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1125   -5.1167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8792   -5.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8542   -1.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2667   -3.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9250    1.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5583    1.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6292   -1.9542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7375   -6.7167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8042   -3.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9292   -3.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1792   -2.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3417    2.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5250   -1.8042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4875   -3.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0375    2.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5042   -6.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708    4.3667    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   13.3667   -8.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4542   -9.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1417   -8.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3167  -11.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -9.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0917  -11.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  6  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  2  0  0  0  0
  6 16  1  0  0  0  0
  7  1  1  0  0  0  0
  8  5  1  0  0  0  0
  9  4  1  0  0  0  0
 10  3  1  0  0  0  0
 11  3  2  0  0  0  0
 12  4  2  0  0  0  0
 13  6  2  0  0  0  0
 14 17  1  0  0  0  0
 15  5  1  0  0  0  0
 16  9  1  0  0  0  0
 17  7  2  0  0  0  0
 18 10  1  0  0  0  0
 19 14  1  0  0  0  0
 20 18  1  0  0  0  0
 21 20  1  0  0  0  0
 22 20  2  0  0  0  0
 23 21  2  0  0  0  0
 24 22  1  0  0  0  0
 25 24  2  0  0  0  0
  8 14  2  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (182)
182

>  <Formula> (182)
C17H16ClN3O4

>  <MolWeight> (182)
361.77964

>  <COMPOUND_NAME> (182)
WAY-343867

>  <BAR_CODE_NO> (182)
2554031

$$$$
WAY-342692
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   11.1042  -10.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0917  -11.7500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.0625   -9.3667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3375   -9.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6667   -8.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0375   -8.2542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.9792   -6.8292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6792  -11.7167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4917  -11.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0667  -13.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6250   -6.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6542  -10.2375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.9875   -5.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6417   -5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0042   -4.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5875   -7.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9167   -7.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8375  -13.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3000  -13.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9500   -6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2917  -15.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8167  -15.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0667  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  3  2  0  0  0  0
  6  4  1  0  0  0  0
  7  5  1  0  0  0  0
  8  2  2  0  0  0  0
  9  2  2  0  0  0  0
 10  2  1  0  0  0  0
 11  7  1  0  0  0  0
 12  4  1  0  0  0  0
 13 11  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 17  2  0  0  0  0
 17 11  1  0  0  0  0
 18 10  2  0  0  0  0
 19 10  1  0  0  0  0
 20 16  1  0  0  0  0
 21 19  2  0  0  0  0
 22 18  1  0  0  0  0
 23 21  1  0  0  0  0
  6  5  1  0  0  0  0
 22 23  2  0  0  0  0
 14 20  2  0  0  0  0
M  END
>  <Mol_ID> (183)
183

>  <Formula> (183)
C15H11ClN2O3S2

>  <MolWeight> (183)
366.84244

>  <COMPOUND_NAME> (183)
WAY-342692

>  <BAR_CODE_NO> (183)
2555066

$$$$
WAY-311097
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
    1.6729   -0.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8729    0.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9488   -0.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2108   -0.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3350    1.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6005    0.7276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4212    0.1379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9350   -0.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6108    0.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1315    0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1443   -0.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6754    0.0379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1754   -1.4862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4271    0.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7926    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8064   -0.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5512    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5650   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9271    0.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6754    0.0655    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (184)
184

>  <Formula> (184)
C16H15FN2O

>  <MolWeight> (184)
270.3015032

>  <COMPOUND_NAME> (184)
WAY-311097

>  <BAR_CODE_NO> (184)
3915445

$$$$
WAY-345280
csChFnd80/06171916322D

 18 19  0  0  0  0  0  0  0  0999 V2000
    3.9708    2.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2753    2.8730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1913    0.8842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6434    4.2878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7537    2.8730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4331    5.0043    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1618    1.8602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5165    0.6637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4407    4.3383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1395    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8055    5.0801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3228    6.3294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1575    9.1474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0817   10.5850    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.1057    7.0460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4781    7.1218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.3734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4068    8.5411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  2  1  0  0  0  0
  8  3  1  0  0  0  0
  9  2  2  0  0  0  0
 10  3  2  0  0  0  0
 11  4  2  0  0  0  0
 12  6  1  0  0  0  0
 13 18  2  0  0  0  0
 14 13  1  0  0  0  0
 15 12  1  0  0  0  0
 16 12  2  0  0  0  0
 17 15  2  0  0  0  0
 18 16  1  0  0  0  0
  8  7  1  0  0  0  0
 13 17  1  0  0  0  0
M  END
>  <Mol_ID> (185)
185

>  <Formula> (185)
C12H11BrN2O3

>  <MolWeight> (185)
311.13134

>  <COMPOUND_NAME> (185)
WAY-345280

>  <BAR_CODE_NO> (185)
2555509

$$$$
WAY-344231
csChFnd80/06171916322D

 33 37  0  0  0  0  0  0  0  0999 V2000
   11.3667   -8.8917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5792  -10.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9042   -8.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3500  -11.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6792  -10.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8917  -11.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9500   -4.8667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4792   -2.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7292   -6.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7417   -1.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0417  -10.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6917   -7.5542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6792   -3.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4792   -4.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7417   -3.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9500   -2.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9542   -7.5542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2875   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6667  -12.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6000   -7.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2375  -10.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5667  -12.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2500   -2.1167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2875   -6.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0542   -7.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -11.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3375  -14.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4750    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8792  -14.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2042  -12.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5417    0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7167    1.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542    1.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  9  1  0  0  0  0
  8 15  1  0  0  0  0
  9 24  1  0  0  0  0
 10  8  1  0  0  0  0
 11  2  2  0  0  0  0
 12  3  2  0  0  0  0
 13  7  1  0  0  0  0
 14  7  1  0  0  0  0
 15 14  1  0  0  0  0
 16 13  1  0  0  0  0
 17  9  2  0  0  0  0
 18 10  1  0  0  0  0
 19  6  1  0  0  0  0
 20  1  1  0  0  0  0
 21  5  2  0  0  0  0
 22  4  1  0  0  0  0
 23 18  1  0  0  0  0
 24 25  1  0  0  0  0
 25 20  1  0  0  0  0
 26 21  1  0  0  0  0
 27 22  2  0  0  0  0
 28 10  2  0  0  0  0
 29 19  2  0  0  0  0
 30 26  2  0  0  0  0
 31 18  2  0  0  0  0
 32 28  1  0  0  0  0
 33 32  2  0  0  0  0
  6  4  2  0  0  0  0
 30 19  1  0  0  0  0
 29 27  1  0  0  0  0
  8 16  1  0  0  0  0
 33 31  1  0  0  0  0
M  END
>  <Mol_ID> (186)
186

>  <Formula> (186)
C26H25N3O4

>  <MolWeight> (186)
443.4944

>  <COMPOUND_NAME> (186)
WAY-344231

>  <BAR_CODE_NO> (186)
2554579

$$$$
WAY-310660
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -1.1138    1.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5138    0.8793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1138    1.9379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7138    0.8966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0793    1.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5138    0.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7138    2.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000    2.2966    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3138    1.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6793    0.8655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0793   -0.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3138    1.9379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6793    0.1586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9345    2.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3000   -0.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9345    2.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5345    1.8966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3000   -0.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8966    0.1586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8966   -1.2414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8966   -1.9552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3000   -2.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -2.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3000   -3.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -2.9828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8966   -3.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8966   -4.0345    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  2  0  0  0  0
 10 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  1  0  0  0  0
 15 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  2  0  0  0  0
 26 27  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (187)
187

>  <Formula> (187)
C20H20F2N2O3

>  <MolWeight> (187)
374.3812064

>  <COMPOUND_NAME> (187)
WAY-310660

>  <BAR_CODE_NO> (187)
3914906

$$$$
WAY-310298
csChFnd80/06171916322D

 28 30  0  0  0  0  0  0  0  0999 V2000
   -0.9931    1.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4138    0.7069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9931    1.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5552    0.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4138    0.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1448    1.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5552    2.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3931    2.0276    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1138    1.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1448   -0.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7241    0.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1138    1.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7241    0.0483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7138    2.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3069   -0.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7138    2.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2759    1.6897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3241   -0.9517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8862    0.0483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1552    3.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8862   -1.2931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8862   -1.9310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3241   -2.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4655   -2.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3448   -2.9310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4655   -2.9138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8862   -3.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8655   -3.9138    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  2  0  0  0  0
 10 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  1  0  0  0  0
 15 19  2  0  0  0  0
 16 20  1  0  0  0  0
 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  2  0  0  0  0
 27 28  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (188)
188

>  <Formula> (188)
C21H22F2N2O3

>  <MolWeight> (188)
388.4077864

>  <COMPOUND_NAME> (188)
WAY-310298

>  <BAR_CODE_NO> (188)
3914499

$$$$
WAY-312231
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
    7.0151    1.2314    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4038    1.2314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2030    1.1904    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1694    2.4541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5104    4.7356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5840    2.3937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8548    6.0252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8948    4.9901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8446    7.0237    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3401    0.0216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2969    2.4217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8823    2.3872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9405    0.0216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0803    6.3767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8207    1.1904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7470    3.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0594    0.0065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2849    3.6121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4402    6.0554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6768    4.8349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1220    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1220    2.3872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7052    0.0216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7224    2.4217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3 12  1  0  0  0  0
  4  2  1  0  0  0  0
  5 16  2  0  0  0  0
  6  4  2  0  0  0  0
  7 19  2  0  0  0  0
  8  5  1  0  0  0  0
  9  7  1  0  0  0  0
 10  1  1  0  0  0  0
 11  1  1  0  0  0  0
 12 11  1  0  0  0  0
 13 10  1  0  0  0  0
 14  8  1  0  0  0  0
 15  3  1  0  0  0  0
 16 18  1  0  0  0  0
 17  2  2  0  0  0  0
 18  6  1  0  0  0  0
 19 20  1  0  0  0  0
 20 18  2  0  0  0  0
 21 15  2  0  0  0  0
 22 15  1  0  0  0  0
 23 21  1  0  0  0  0
 24 22  2  0  0  0  0
 25 24  1  0  0  0  0
 13  3  1  0  0  0  0
 25 23  2  0  0  0  0
  5  7  1  0  0  0  0
  9 14  1  0  0  0  0
M  END
>  <Mol_ID> (189)
189

>  <Formula> (189)
C20H20N2O3

>  <MolWeight> (189)
336.3844

>  <COMPOUND_NAME> (189)
WAY-312231

>  <BAR_CODE_NO> (189)
3916831

$$$$
WAY-311683
csChFnd80/06171916322D

 33 35  0  0  0  0  0  0  0  0999 V2000
    0.4917   -1.8417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042   -2.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333   -1.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0167   -4.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458   -1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5750    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9958   -0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1917   -4.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5833   -1.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333   -0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292   -2.5542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917   -3.2667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7875   -3.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458   -2.5542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4375   -3.2917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9625   -3.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5542   -2.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4292   -4.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9833    1.0333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8208   -0.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3375    1.0333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7917   -1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2042   -2.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9667   -1.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0125   -5.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2542   -4.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5708    1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917    1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2333   -1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4167   -6.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6625   -5.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2417   -6.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  9  1  0  0  0  0
  5  3  1  0  0  0  0
  6  7  2  0  0  0  0
  7 11  1  0  0  0  0
  8 10  2  0  0  0  0
  9 14  1  0  0  0  0
 10  5  1  0  0  0  0
 11  5  2  0  0  0  0
 12  2  1  0  0  0  0
 13  2  2  0  0  0  0
 14 17  1  0  0  0  0
 15  3  2  0  0  0  0
 16  4  2  0  0  0  0
 17 18  2  0  0  0  0
 18 12  1  0  0  0  0
 19  4  1  0  0  0  0
 20  6  1  0  0  0  0
 21  8  1  0  0  0  0
 22  7  1  0  0  0  0
 23 25  2  0  0  0  0
 24 23  1  0  0  0  0
 25 18  1  0  0  0  0
 26 19  1  0  0  0  0
 27 19  2  0  0  0  0
 28 20  1  0  0  0  0
 29 22  1  0  0  0  0
 30 21  1  0  0  0  0
 31 26  2  0  0  0  0
 32 27  1  0  0  0  0
 33 32  2  0  0  0  0
  6  8  1  0  0  0  0
 14 24  2  0  0  0  0
 33 31  1  0  0  0  0
M  END
>  <Mol_ID> (190)
190

>  <Formula> (190)
C24H23N3O5S

>  <MolWeight> (190)
465.52152

>  <COMPOUND_NAME> (190)
WAY-311683

>  <BAR_CODE_NO> (190)
3916143

$$$$
GI-526137
csChFnd80/06171916322D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.7091    0.2897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6214    1.0521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0357    1.0521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7091   -1.2580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9480    0.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6214    2.6037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3623    0.2897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0357    2.6037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0357   -2.0204    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.2784    1.0521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9480    3.3661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3623   -1.2580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0357   -3.5720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2784    2.6037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6927   -2.0471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6051    3.3890    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  2  0  0  0  0
 12 15  2  0  0  0  0
 14 16  1  0  0  0  0
  9 12  1  0  0  0  0
 11 14  1  0  0  0  0
M  END
>  <Mol_ID> (191)
191

>  <Formula> (191)
C10H9BrN2O3

>  <MolWeight> (191)
285.09406

>  <COMPOUND_NAME> (191)
GI-526137

>  <BAR_CODE_NO> (191)
3915914

$$$$
WAY-344089
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
    9.2667   -6.4042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5875   -5.1750    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.9792   -6.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6750   -5.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6292   -4.4167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2417   -3.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6917   -9.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0167   -7.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2500   -7.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9667   -8.3125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1542  -10.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8917   -4.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2250   -7.4417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0042   -3.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9417   -9.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6792   -6.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0917   -4.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7375   -6.2042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6875  -10.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9000  -11.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4292   -5.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1667  -11.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1500   -3.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4417   -8.0375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4375  -12.5542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6667   -2.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8292  -12.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8167   -1.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5667   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  2  1  0  0  0  0
  7 10  1  0  0  0  0
  8  1  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11  7  1  0  0  0  0
 12  4  2  0  0  0  0
 13  3  2  0  0  0  0
 14  6  2  0  0  0  0
 15  7  2  0  0  0  0
 16  2  1  0  0  0  0
 17 21  1  0  0  0  0
 18  9  2  0  0  0  0
 19 15  1  0  0  0  0
 20 11  2  0  0  0  0
 21 16  1  0  0  0  0
 22 19  2  0  0  0  0
 23  6  1  0  0  0  0
 24 15  1  0  0  0  0
 25 20  1  0  0  0  0
 26 14  1  0  0  0  0
 27 24  1  0  0  0  0
 28 25  1  0  0  0  0
 29 23  2  0  0  0  0
 30 29  1  0  0  0  0
  5  2  1  0  0  0  0
 14 17  1  0  0  0  0
 30 26  2  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (192)
192

>  <Formula> (192)
C21H21N3O6

>  <MolWeight> (192)
411.40794

>  <COMPOUND_NAME> (192)
WAY-344089

>  <BAR_CODE_NO> (192)
2554251

$$$$
WAY-344442
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
   13.8417  -14.5292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.9375  -13.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8042  -10.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2292   -8.8042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4667   -5.8417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3917    0.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2375  -13.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3042  -13.6417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3667  -15.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6750  -11.6792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1000    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8667    1.6750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6250    1.6958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7292  -16.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2417    2.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3667  -11.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5542   -1.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1000  -10.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6292   -8.7417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4250   -2.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5792   -4.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9667   -1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5250   -8.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1792   -5.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6417   -7.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0417   -7.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1250   -2.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7667  -11.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8917  -10.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1875  -10.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3 10  1  0  0  0  0
  4 18  1  0  0  0  0
  5 24  1  0  0  0  0
  6 17  1  0  0  0  0
  7  2  2  0  0  0  0
  8  1  2  0  0  0  0
  9  1  2  0  0  0  0
 10 16  1  0  0  0  0
 11 22  1  0  0  0  0
 12  6  1  0  0  0  0
 13 11  1  0  0  0  0
 14  1  1  0  0  0  0
 15 12  1  0  0  0  0
 16  7  1  0  0  0  0
 17 20  2  0  0  0  0
 18  3  1  0  0  0  0
 19  3  2  0  0  0  0
 20 21  1  0  0  0  0
 21  5  1  0  0  0  0
 22 27  2  0  0  0  0
 23  4  1  0  0  0  0
 24 26  1  0  0  0  0
 25 23  1  0  0  0  0
 26  4  1  0  0  0  0
 27 20  1  0  0  0  0
 28  2  1  0  0  0  0
 29 28  2  0  0  0  0
 30 29  1  0  0  0  0
 16 30  2  0  0  0  0
  5 25  1  0  0  0  0
  6 11  2  0  0  0  0
 15 13  1  0  0  0  0
M  END
>  <Mol_ID> (193)
193

>  <Formula> (193)
C20H24N4O5S

>  <MolWeight> (193)
432.49336

>  <COMPOUND_NAME> (193)
WAY-344442

>  <BAR_CODE_NO> (193)
2554668

$$$$
WAY-313340
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -1.9621    0.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9828   -0.0931    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1448    1.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7448   -0.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0172   -0.4483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6172    0.8897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3172   -1.0724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0966    1.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6966   -0.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2034   -1.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8034    0.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8828    0.9517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1552   -1.8103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7828   -0.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8621    1.3069    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.9552   -1.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6621    0.6517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0448    2.3276    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.9379   -1.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7310   -0.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6828   -1.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5690    0.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4828   -0.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3690    0.7897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3172    0.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  2  0  0  0  0
  9 12  2  0  0  0  0
 14 16  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (194)
194

>  <Formula> (194)
C18H20N2O4S

>  <MolWeight> (194)
360.4274

>  <COMPOUND_NAME> (194)
WAY-313340

>  <BAR_CODE_NO> (194)
3918217

$$$$
WAY-312891
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
    0.8449   -0.1935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9242   -0.1935    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3242    0.6858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3242   -1.0935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0139   -0.1935    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9242   -1.2556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9242    0.8444    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7137    0.6858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7137   -1.0935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5346    0.6858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5346   -1.0935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2447    1.6341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2447   -0.1935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5932    0.6858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5932   -1.0935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3344    1.6858    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7137    2.5858    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1139   -0.1935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8447    0.7341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3344   -0.1452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9068    0.7341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8447   -1.0452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4240   -0.1452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9068   -1.0452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4240   -1.9832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 17  2  0  0  0  0
 14 18  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
 24 25  1  0  0  0  0
  9 13  1  0  0  0  0
 15 18  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (195)
195

>  <Formula> (195)
C19H22N2O3S

>  <MolWeight> (195)
358.45458

>  <COMPOUND_NAME> (195)
WAY-312891

>  <BAR_CODE_NO> (195)
3917620

$$$$
WAY-312806
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
    0.0241    0.0897    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.3379   -0.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0414    0.5276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4034   -0.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3379   -0.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7207    0.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4241    0.7276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3207    0.7483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4034   -0.5517    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0241   -0.7724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7207   -0.7724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0759   -0.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4414    1.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7793    0.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3207    1.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6759    0.5276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7793   -0.7517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0414   -1.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0759   -0.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8034    1.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1621    0.7276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6759    1.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3207   -1.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4241   -1.4103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1621    1.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3207   -1.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  7 14  2  0  0  0  0
  8 15  1  0  0  0  0
  8 16  2  0  0  0  0
  9 17  1  0  0  0  0
 10 18  1  0  0  0  0
 11 19  2  0  0  0  0
 13 20  2  0  0  0  0
 14 21  1  0  0  0  0
 15 22  1  0  0  0  0
 18 23  1  0  0  0  0
 18 24  2  0  0  0  0
 20 25  1  0  0  0  0
 23 26  1  0  0  0  0
  9 10  1  0  0  0  0
 12 19  1  0  0  0  0
 21 25  2  0  0  0  0
M  END
>  <Mol_ID> (196)
196

>  <Formula> (196)
C22H26N2O2

>  <MolWeight> (196)
350.45404

>  <COMPOUND_NAME> (196)
WAY-312806

>  <BAR_CODE_NO> (196)
3917521

$$$$
WAY-311510
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -0.0379    0.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3172    0.5655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0379    1.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4207    0.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3172    0.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6793    0.7828    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.3172    1.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4207    1.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7828    0.7828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0310   -0.0793    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.6690   -0.0793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6793    1.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0793    0.5828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7828    1.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0207   -0.4862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4586    0.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1586    1.4034    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.3172   -0.7172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3310   -0.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2172   -1.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7138   -0.5483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1862   -1.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7690   -0.6103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4414   -1.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3862   -1.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2621   -1.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1862   -1.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  8 14  2  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 15 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  2  0  0  0  0
 19 22  1  0  0  0  0
 19 23  2  0  0  0  0
 20 24  1  0  0  0  0
 22 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  2  0  0  0  0
  7 12  1  0  0  0  0
  9 14  1  0  0  0  0
 20 22  2  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (197)
197

>  <Formula> (197)
C21H19FN2O3

>  <MolWeight> (197)
366.3855632

>  <COMPOUND_NAME> (197)
WAY-311510

>  <BAR_CODE_NO> (197)
3915903

$$$$
WAY-240663
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
    2.7658   -1.1415    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2382   -1.1415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0279    0.1551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0279   -2.3725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9727   -2.4346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9727    0.0896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5210    0.1551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5210   -2.3725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4451   -2.4346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4451    0.0896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2169   -1.1415    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1796   -1.2035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6894   -1.1415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4238   -2.3725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8963   -2.3725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6273   -1.0725    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6273   -3.6070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8963    0.1551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4238    0.1551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6273    1.4551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6894    1.4551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8963    2.6861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4238    2.6861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6480    3.9861    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3825    5.2206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6480    6.5206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (198)
198

>  <Formula> (198)
C21H27N3O2

>  <MolWeight> (198)
353.45798

>  <COMPOUND_NAME> (198)
WAY-240663

>  <BAR_CODE_NO> (198)
3915380

$$$$
WAY-310869
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -0.6207    0.1724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6138    0.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2862   -0.8069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2862    1.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1621   -0.9448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2517    1.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4379   -0.4448    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.9000   -1.9552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4379    0.7724    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.9000    2.2828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3621   -1.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4517    1.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4690   -1.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4690    1.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5069   -0.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5069    0.7724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000   -0.0172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7793   -1.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000   -1.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  9 14  1  0  0  0  0
 11 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
  7  9  1  0  0  0  0
 12 15  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (199)
199

>  <Formula> (199)
C16H19NO3

>  <MolWeight> (199)
273.32696

>  <COMPOUND_NAME> (199)
WAY-310869

>  <BAR_CODE_NO> (199)
3915161

$$$$
WAY-311436
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    0.2379   -0.1034    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.5586   -0.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9483   -0.5172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2276    0.7276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0379    0.2897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8241   -1.1414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6621   -0.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5586    0.9966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1103    0.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3759   -0.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6552    0.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8103    1.7897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4966   -0.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0862   -0.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3655    1.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3207   -0.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0724   -1.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0897    0.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7138   -1.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4586   -1.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    1.1310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2828   -1.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    1.9517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  2  0  0  0  0
 13 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  2  0  0  0  0
 18 21  1  0  0  0  0
 19 22  2  0  0  0  0
 21 23  1  0  0  0  0
  5  8  1  0  0  0  0
 15 18  1  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (200)
200

>  <Formula> (200)
C18H18N2O3

>  <MolWeight> (200)
310.34712

>  <COMPOUND_NAME> (200)
WAY-311436

>  <BAR_CODE_NO> (200)
3915822

$$$$
WAY-310385
csChFnd80/06171916322D

 30 32  0  0  0  0  0  0  0  0999 V2000
   -1.7207   -0.8241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7207    0.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4414   -1.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0034   -1.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4414    0.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1552   -0.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2828   -0.8241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0034   -2.0655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1552    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4414    1.2379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8586   -1.2414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4276   -1.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2828    0.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8655    0.4069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1552    1.6483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8586   -2.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1448   -0.8241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4276    0.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5793   -0.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1448    0.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8655    0.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5828    0.0069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8724    1.2448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2966    0.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0069   -0.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2966    1.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7207    0.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9966    1.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7276    1.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4448    1.6448    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 13 18  1  0  0  0  0
 14 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  2  0  0  0  0
 27 29  2  0  0  0  0
 29 30  1  0  0  0  0
  6  9  1  0  0  0  0
 18 20  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (201)
201

>  <Formula> (201)
C22H25BrN2O5

>  <MolWeight> (201)
477.3483

>  <COMPOUND_NAME> (201)
WAY-310385

>  <BAR_CODE_NO> (201)
3914599

$$$$
WAY-311872
csChFnd80/06171916322D

 32 34  0  0  0  0  0  0  0  0999 V2000
   -2.0828   -0.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8034   -1.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0828    0.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3655   -1.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5172   -0.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8034    0.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6448   -0.7621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3655   -2.0034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5172    0.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2207   -1.1793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8034    1.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0655   -1.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6448    0.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2310    0.4724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2207   -2.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5172    1.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7828   -0.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0655    0.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9414    0.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7828    0.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5034    0.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2207    0.0724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5069    1.3103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9345    0.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6448    0.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9345    1.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3655    0.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6448    1.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3655    1.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0793    0.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7966    0.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0793   -0.7621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 13 18  1  0  0  0  0
 14 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  2  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
  6  9  2  0  0  0  0
 18 20  1  0  0  0  0
 28 29  2  0  0  0  0
M  END
>  <Mol_ID> (202)
202

>  <Formula> (202)
C24H28N2O6

>  <MolWeight> (202)
440.48892

>  <COMPOUND_NAME> (202)
WAY-311872

>  <BAR_CODE_NO> (202)
3916394

$$$$
SD-9741
csChFnd80/06171916322D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -1.0554    0.4554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2554    0.9278    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0554   -0.4481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8312    0.9140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5446    0.4761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8312   -0.8964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6174    0.4554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3412    0.9278    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5446   -0.4446    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6174   -0.4481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8312   -1.8101    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1205    0.4761    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4174   -0.9239    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3067   -0.4101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8929    0.9278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1929   -0.4964    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5688    0.3174    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  2  0  0  0  0
  6 11  1  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
  7 10  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (203)
203

>  <Formula> (203)
C9H7Cl2N5O

>  <MolWeight> (203)
272.09078

>  <COMPOUND_NAME> (203)
SD-9741

>  <BAR_CODE_NO> (203)
3917841

$$$$
WAY-312798
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -0.0586   -0.8655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7448   -0.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6414   -0.4655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0586   -1.6621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7448    0.3379    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.4276   -0.8655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6414    0.3379    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.3207   -0.8655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7448   -2.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0586    0.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4276    0.7345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4276   -1.6621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3207    0.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3207   -1.6621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0103   -0.4655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4276    1.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0034   -2.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1172    1.9207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7448    1.9207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6724   -1.6621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1172    2.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7448    2.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3414   -2.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4276    3.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  2  0  0  0  0
 11 16  1  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  2  0  0  0  0
 17 20  1  0  0  0  0
 18 21  2  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
  7 10  1  0  0  0  0
  9 12  1  0  0  0  0
 22 24  2  0  0  0  0
M  END
>  <Mol_ID> (204)
204

>  <Formula> (204)
C21H26N2O

>  <MolWeight> (204)
322.44394

>  <COMPOUND_NAME> (204)
WAY-312798

>  <BAR_CODE_NO> (204)
3917508

$$$$
WAY-242738
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
   11.8155   -1.7680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8155   -2.5705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1220   -1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1220   -2.9680    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4290   -1.7640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4290   -2.5665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5170   -1.3665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5210   -0.5635    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5090   -2.9720    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2105   -1.7760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1300   -0.5595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2145   -0.1705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1100   -3.7710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7355   -1.3545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7355   -2.9600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6135    0.6285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2225    0.6285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9080   -0.5760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6090   -0.1745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9160    1.0300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3065    1.0220    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000    0.6205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4165   -4.1640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0500   -1.7640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0500   -2.5665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4125   -4.9670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  2  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9  2  2  0  0  0  0
 10  7  2  0  0  0  0
 11  3  1  0  0  0  0
 12  8  1  0  0  0  0
 13  4  1  0  0  0  0
 14  5  1  0  0  0  0
 15  6  1  0  0  0  0
 16 19  2  0  0  0  0
 17 12  1  0  0  0  0
 18 12  2  0  0  0  0
 19 18  1  0  0  0  0
 20 17  2  0  0  0  0
 21 16  1  0  0  0  0
 22 21  1  0  0  0  0
 23 13  1  0  0  0  0
 24 14  1  0  0  0  0
 25 24  1  0  0  0  0
 26 23  1  0  0  0  0
  6  4  1  0  0  0  0
 20 16  1  0  0  0  0
 15 25  1  0  0  0  0
M  END
>  <Mol_ID> (205)
205

>  <Formula> (205)
C20H24N2O4

>  <MolWeight> (205)
356.41556

>  <COMPOUND_NAME> (205)
WAY-242738

>  <BAR_CODE_NO> (205)
3916871

$$$$
WAY-344243
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
    2.6625   -1.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6417   -2.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3375   -2.5875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8542   -1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9625   -2.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0917   -0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9167   -0.6375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4917   -3.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3417   -3.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1042   -2.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3625   -0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7042    0.1208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0667   -4.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667    0.6333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3125   -1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2792   -2.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5292   -2.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3167   -3.5542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1375   -1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8792   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0500   -0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1875    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417   -0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6875    0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0625   -3.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6292   -3.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7500   -2.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5750   -2.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6417   -4.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0667   -4.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3750   -5.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8 10  1  0  0  0  0
  9  3  1  0  0  0  0
 10 16  2  0  0  0  0
 11  4  1  0  0  0  0
 12  6  2  0  0  0  0
 13  8  2  0  0  0  0
 14 22  2  0  0  0  0
 15  7  1  0  0  0  0
 16 20  1  0  0  0  0
 17 19  2  0  0  0  0
 18  8  1  0  0  0  0
 19 15  1  0  0  0  0
 20 15  2  0  0  0  0
 21 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 11  1  0  0  0  0
 24 11  2  0  0  0  0
 25  9  1  0  0  0  0
 26  9  2  0  0  0  0
 27 18  1  0  0  0  0
 28 27  1  0  0  0  0
 29 26  1  0  0  0  0
 30 25  2  0  0  0  0
 31 29  2  0  0  0  0
  3  2  1  0  0  0  0
 14 21  1  0  0  0  0
 10 17  1  0  0  0  0
 31 30  1  0  0  0  0
M  END
>  <Mol_ID> (206)
206

>  <Formula> (206)
C24H20N4O3

>  <MolWeight> (206)
412.4406

>  <COMPOUND_NAME> (206)
WAY-344243

>  <BAR_CODE_NO> (206)
2554626

$$$$
WAY-344643
csChFnd80/06171916322D

 30 32  0  0  0  0  0  0  0  0999 V2000
    8.5792   -4.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3875   -3.5542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5917   -4.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2292   -3.0542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0792   -5.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9750   -3.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5500   -6.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0500   -7.1542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0667   -5.4625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0375   -7.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5417   -7.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4792   -3.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5625   -6.3125    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   14.5292   -7.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5917   -6.3292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0292   -5.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9375   -5.2542    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   13.5167   -6.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0125   -7.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0500   -8.8542    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.6875   -3.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9417   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5042   -6.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.1000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.0667   -7.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8000   -4.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7875   -3.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9917   -3.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0042   -5.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0917   -4.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  2  0  0  0  0
  4  6  2  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7 13  1  0  0  0  0
  8  7  1  0  0  0  0
  9  5  1  0  0  0  0
 10  8  1  0  0  0  0
 11 10  1  0  0  0  0
 12  2  1  0  0  0  0
 13  9  1  0  0  0  0
 14 11  2  0  0  0  0
 15  5  2  0  0  0  0
 16  7  2  0  0  0  0
 17  3  1  0  0  0  0
 18 10  2  0  0  0  0
 19 23  2  0  0  0  0
 20 11  1  0  0  0  0
 21 12  1  0  0  0  0
 22  6  1  0  0  0  0
 23 18  1  0  0  0  0
 24 19  1  0  0  0  0
 25 13  1  0  0  0  0
 26 21  2  0  0  0  0
 27 21  1  0  0  0  0
 28 27  2  0  0  0  0
 29 26  1  0  0  0  0
 30 28  1  0  0  0  0
  4  2  1  0  0  0  0
 30 29  2  0  0  0  0
 19 14  1  0  0  0  0
M  END
>  <Mol_ID> (207)
207

>  <Formula> (207)
C21H18Cl2FN3O3

>  <MolWeight> (207)
450.2903232

>  <COMPOUND_NAME> (207)
WAY-344643

>  <BAR_CODE_NO> (207)
2554869

$$$$
WAY-313286
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -0.1483    0.3828    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.4034    0.7828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6138    1.4483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3069   -0.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4034    2.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4897    0.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1862    2.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9069    1.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5828   -1.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5103   -1.8241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4724    2.8379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6690    0.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3759   -1.2724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1931    3.7345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5724    0.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0414   -2.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0552   -3.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8034    1.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6966   -0.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8483    0.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2414   -3.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0034    2.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8966    0.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5138   -0.8345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0483    1.5828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1345   -2.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8069   -0.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1793   -2.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2276   -2.0724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  2  0  0  0  0
  7 14  2  0  0  0  0
  8 15  1  0  0  0  0
  9 16  2  0  0  0  0
 10 17  1  0  0  0  0
 12 18  2  0  0  0  0
 12 19  1  0  0  0  0
 15 20  1  0  0  0  0
 16 21  1  0  0  0  0
 18 22  1  0  0  0  0
 19 23  2  0  0  0  0
 20 24  1  0  0  0  0
 22 25  2  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
 26 28  2  0  0  0  0
 27 29  2  0  0  0  0
  5  7  1  0  0  0  0
 17 21  2  0  0  0  0
 23 25  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (208)
208

>  <Formula> (208)
C23H21N3O3

>  <MolWeight> (208)
387.43114

>  <COMPOUND_NAME> (208)
WAY-313286

>  <BAR_CODE_NO> (208)
3918144

$$$$
WAY-114210
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
    6.0220    5.5588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0220    4.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2432    3.4742    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8147    6.2676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4573    4.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4573    5.5588    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6005    4.1830    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2432    6.2676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8147    3.4742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6005    5.5588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4214    3.4742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8147    7.6574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4214    2.0987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6646    3.4462    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2424    1.3826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2774    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2142    4.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0351    2.0566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  6  1  0  0  0  0
  6  8  2  0  0  0  0
  7 10  1  0  0  0  0
  8  1  1  0  0  0  0
  9  2  1  0  0  0  0
 10  4  1  0  0  0  0
 11  7  1  0  0  0  0
 12  4  2  0  0  0  0
 13 11  1  0  0  0  0
 14  5  1  0  0  0  0
 15 13  2  0  0  0  0
 16 15  1  0  0  0  0
 17 11  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
  9  7  1  0  0  0  0
  3  5  2  0  0  0  0
 19 15  1  0  0  0  0
M  END
>  <Mol_ID> (209)
209

>  <Formula> (209)
C14H12ClN3O

>  <MolWeight> (209)
273.71758

>  <COMPOUND_NAME> (209)
WAY-114210

>  <BAR_CODE_NO> (209)
3916672

$$$$
WAY-244307
csChFnd80/06171916322D

 17 19  0  0  0  0  0  0  0  0999 V2000
    0.5116   -0.0197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8978   -0.0197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3022   -1.1404    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3022    1.1010    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5909   -1.2197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5909    1.1803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6194   -0.7128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1254   -2.4576    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6194    0.6734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9771   -1.2197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9771    1.1803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8194   -1.4059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8194    1.3665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6702   -0.0197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0194   -0.7128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0194    0.6734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8194    2.7527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  2  0  0  0  0
  7  9  2  0  0  0  0
 11 14  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (210)
210

>  <Formula> (210)
C13H12N2O2

>  <MolWeight> (210)
228.24658

>  <COMPOUND_NAME> (210)
WAY-244307

>  <BAR_CODE_NO> (210)
3918023

$$$$
WAY-345090
csChFnd80/06171916322D

 32 35  0  0  0  0  0  0  0  0999 V2000
   14.5292   -6.2042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0417   -2.7167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3375   -3.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8250   -2.1542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3042   -3.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6042   -2.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7792   -4.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8417   -4.4667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2875   -5.3125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.5542   -6.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5042   -6.2250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5167   -7.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5417   -5.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3167   -5.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1792   -5.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1042   -2.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7417   -4.4875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6417   -6.1542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6667   -4.4917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0625   -7.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0917   -5.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2167   -5.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6375   -6.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1292   -5.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1000   -7.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -5.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9750   -7.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8125   -1.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4500   -3.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5167   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8667   -1.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2167   -2.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  5  2  0  0  0  0
  4  6  2  0  0  0  0
  5  7  1  0  0  0  0
  6  5  1  0  0  0  0
  7 17  1  0  0  0  0
  8 14  2  0  0  0  0
  9  7  2  0  0  0  0
 10  1  1  0  0  0  0
 11  1  1  0  0  0  0
 12  1  2  0  0  0  0
 13  1  2  0  0  0  0
 14  9  1  0  0  0  0
 15 18  1  0  0  0  0
 16  2  1  0  0  0  0
 17 22  1  0  0  0  0
 18 23  1  0  0  0  0
 19 15  2  0  0  0  0
 20 10  1  0  0  0  0
 21 10  2  0  0  0  0
 22 15  1  0  0  0  0
 23 24  2  0  0  0  0
 24 21  1  0  0  0  0
 25 20  2  0  0  0  0
 26 11  1  0  0  0  0
 27 11  1  0  0  0  0
 28 16  1  0  0  0  0
 29 16  2  0  0  0  0
 30 29  1  0  0  0  0
 31 28  2  0  0  0  0
 32 30  2  0  0  0  0
 23 25  1  0  0  0  0
  3  8  1  0  0  0  0
  2  4  1  0  0  0  0
 32 31  1  0  0  0  0
M  END
>  <Mol_ID> (211)
211

>  <Formula> (211)
C21H20N6O4S

>  <MolWeight> (211)
452.4863

>  <COMPOUND_NAME> (211)
WAY-345090

>  <BAR_CODE_NO> (211)
2555352

$$$$
WAY-311821
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
    9.5150   -3.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4030   -2.3150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7280   -5.2910    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.8430   -3.8830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6800   -2.1440    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7870   -5.7070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0110   -2.1440    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.8560   -3.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1760   -3.2110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4030   -0.2240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1440    1.0240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3310   -2.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0110   -0.0110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3310   -0.0430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8560   -5.3230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5680    0.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2270    0.8210    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.9440   -3.8830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8430   -7.5200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4930   -3.2110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4930    1.0130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0510   -0.1710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -5.7070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9440   -7.5520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0720   -2.3040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3170   -2.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3170   -0.0430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  8  1  0  0  0  0
  8  5  1  0  0  0  0
  9  7  1  0  0  0  0
 10  2  1  0  0  0  0
 11 13  1  0  0  0  0
 12  9  1  0  0  0  0
 13  7  1  0  0  0  0
 14 11  1  0  0  0  0
 15  8  2  0  0  0  0
 16 10  2  0  0  0  0
 17 10  1  0  0  0  0
 18  4  1  0  0  0  0
 19  6  1  0  0  0  0
 20 12  2  0  0  0  0
 21 14  2  0  0  0  0
 22 17  1  0  0  0  0
 23 18  1  0  0  0  0
 24 19  1  0  0  0  0
 25 22  1  0  0  0  0
 26 20  1  0  0  0  0
 27 21  1  0  0  0  0
  6  4  2  0  0  0  0
 23 24  1  0  0  0  0
 12 14  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <Mol_ID> (212)
212

>  <Formula> (212)
C20H22N2O4S

>  <MolWeight> (212)
386.46468

>  <COMPOUND_NAME> (212)
WAY-311821

>  <BAR_CODE_NO> (212)
3916328

$$$$
WAY-310757
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -1.3517   -0.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5241    0.2828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3517   -0.8621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0724    0.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1034   -0.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0586    0.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5793   -1.1172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0724   -1.2690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8034   -0.0379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0724    1.2069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7138   -0.4379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1517    1.6621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8034   -0.8621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0724   -2.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1276   -1.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1207    0.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4276    2.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5345   -1.2690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9379   -1.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9483    0.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2138    3.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2483    2.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3517   -0.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1759   -0.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5897   -1.1552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5862    0.2759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 13 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 17 22  1  0  0  0  0
 19 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
  5  7  2  0  0  0  0
  9 13  1  0  0  0  0
 20 23  1  0  0  0  0
M  END
>  <Mol_ID> (213)
213

>  <Formula> (213)
C17H26N6O3

>  <MolWeight> (213)
362.42674

>  <COMPOUND_NAME> (213)
WAY-310757

>  <BAR_CODE_NO> (213)
3915025

$$$$
WAY-310764
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -1.2379   -0.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4103    0.1724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2379   -0.9724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9586    0.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0103   -0.5483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1379    0.9483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4621   -1.2276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9586   -1.3759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6897   -0.1483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9586    1.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8276   -0.5483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6828    1.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6897   -0.9724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9586   -2.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2379    0.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2379   -1.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4138    2.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4138   -1.3759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0621    0.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0552   -1.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3897    2.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4655   -0.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6621    3.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1793   -0.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9000   -0.5276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1793    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 13 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 19 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
  5  7  2  0  0  0  0
  9 13  1  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (214)
214

>  <Formula> (214)
C17H26N6O3

>  <MolWeight> (214)
362.42674

>  <COMPOUND_NAME> (214)
WAY-310764

>  <BAR_CODE_NO> (214)
3915032

$$$$
WAY-311615
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -1.2096    0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0578    0.5240    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2096   -1.0243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2440    0.8137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6387   -0.3381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3491    1.7516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0578   -1.3726    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2440   -1.6001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2854    0.1792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2440    2.0378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7904   -0.2174    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5628    1.9654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2854   -1.0243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2440   -2.8105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2939    0.8137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4766   -1.2036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9594    3.1171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3303   -1.6001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4491    0.9930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6870   -1.1312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2042   -0.0519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 13 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 19 21  1  0  0  0  0
  5  7  2  0  0  0  0
  9 13  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (215)
215

>  <Formula> (215)
C13H19N5O3

>  <MolWeight> (215)
293.32166

>  <COMPOUND_NAME> (215)
WAY-311615

>  <BAR_CODE_NO> (215)
3916044

$$$$
WAY-311784
csChFnd80/06171916322D

 34 38  0  0  0  0  0  0  0  0999 V2000
   -2.1517   -0.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3138    0.1103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1517   -1.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8690    0.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8897   -0.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5897    0.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3655   -1.2966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8690   -1.4483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6000   -0.2138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8690    1.0414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0655   -0.6138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5897    1.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6000   -1.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8690   -2.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3448    0.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3483   -1.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1241    1.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000    1.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3379   -1.4483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1724    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1690   -1.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1241    2.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3069    2.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5828   -0.6138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5897    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8345    3.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4069   -0.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8207   -1.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8069    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6345   -1.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6241    0.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0483   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8483   -0.8138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4310   -0.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  1  0  0  0  0
 12 17  2  0  0  0  0
 12 18  1  0  0  0  0
 13 19  2  0  0  0  0
 15 20  1  0  0  0  0
 16 21  1  0  0  0  0
 17 22  1  0  0  0  0
 18 23  2  0  0  0  0
 20 24  1  0  0  0  0
 22 25  2  0  0  0  0
 22 26  1  0  0  0  0
 24 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
 29 31  2  0  0  0  0
 30 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
  5  7  2  0  0  0  0
  9 13  1  0  0  0  0
 21 24  1  0  0  0  0
 23 25  1  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <Mol_ID> (216)
216

>  <Formula> (216)
C25H28N6O3

>  <MolWeight> (216)
460.52822

>  <COMPOUND_NAME> (216)
WAY-311784

>  <BAR_CODE_NO> (216)
3916280

$$$$
WAY-312194
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.2657    0.6465    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6446    0.6396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2657   -0.4535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2140    1.2086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6308   -0.4604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5895    1.1948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6895   -1.0018    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2140   -0.9914    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1623    0.6569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5895   -1.0018    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5343    0.6396    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5895    2.2913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2037   -2.0914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1002    1.2086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1554   -0.4397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5343   -0.4604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5895   -2.1052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0519    0.6569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1002    2.3051    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.1002   -0.9914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4929   -1.0121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0519   -0.4397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  2  0  0  0  0
 10 16  1  0  0  0  0
 10 17  1  0  0  0  0
 14 18  2  0  0  0  0
 14 19  1  0  0  0  0
 15 20  1  0  0  0  0
 16 21  2  0  0  0  0
 18 22  1  0  0  0  0
  5  7  1  0  0  0  0
 11 16  1  0  0  0  0
 20 22  2  0  0  0  0
M  END
>  <Mol_ID> (217)
217

>  <Formula> (217)
C14H14ClN5O2

>  <MolWeight> (217)
319.74626

>  <COMPOUND_NAME> (217)
WAY-312194

>  <BAR_CODE_NO> (217)
3916791

$$$$
WAY-310753
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
   -2.2448    0.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4069    0.3448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2448   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9552    0.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9862   -0.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6931    0.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4586   -1.0552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9552   -1.2034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6862    0.0241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9552    1.2724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1690   -0.3759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6931    1.5828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6862   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9552   -2.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2414    0.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2448   -1.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0207    1.9966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4172   -1.2034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0655    0.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0552   -1.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0207    2.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4690   -0.3793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7310    3.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2931   -0.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7034   -1.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6897    0.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5207   -1.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5069    0.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9276   -0.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7207   -0.5655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3034    0.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 13 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 19 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  2  0  0  0  0
 27 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
  5  7  2  0  0  0  0
  9 13  1  0  0  0  0
 20 22  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (218)
218

>  <Formula> (218)
C21H28N6O4

>  <MolWeight> (218)
428.48482

>  <COMPOUND_NAME> (218)
WAY-310753

>  <BAR_CODE_NO> (218)
3915021

$$$$
WAY-310728
csChFnd80/06171916322D

 28 30  0  0  0  0  0  0  0  0999 V2000
   -1.1655   -0.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4034    0.1207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1655   -0.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8138    0.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0276   -0.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0069    0.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4552   -1.1276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8138   -1.2621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4759   -0.1655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8138    0.9483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7241   -0.5138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4069    1.5483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4759   -0.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8138   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1138    0.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0862    0.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0862   -1.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0034    2.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1379   -1.2621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8345    0.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8310   -1.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8241    2.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2103   -0.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2310    1.5483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8552   -0.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0483    1.5483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5069   -0.5034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8483    0.5897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
 13 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
 20 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  2  0  0  0  0
  5  7  2  0  0  0  0
  9 13  1  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (219)
219

>  <Formula> (219)
C19H30N6O3

>  <MolWeight> (219)
390.4799

>  <COMPOUND_NAME> (219)
WAY-310728

>  <BAR_CODE_NO> (219)
3914988

$$$$
WAY-311026
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -0.7309   -0.3022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2760    0.0082    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7309   -1.3574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6481    0.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8829   -0.8160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6105    1.0151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2760   -1.6918    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6481   -1.8677    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5654   -0.3022    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6481    1.2633    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9071   -0.8160    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0826    1.7978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5654   -1.3574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6481   -2.9229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4791    0.2323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4484   -1.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4484    0.0771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2209    2.8185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0964    1.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4791   -1.8677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4726   -1.7470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5105    0.0771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4826    3.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8171    2.3564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0140   -0.8160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5205    3.3633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0760   -0.8160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  2  0  0  0  0
 12 19  1  0  0  0  0
 13 20  2  0  0  0  0
 16 21  1  0  0  0  0
 17 22  1  0  0  0  0
 18 23  1  0  0  0  0
 19 24  2  0  0  0  0
 21 25  1  0  0  0  0
 23 26  2  0  0  0  0
 25 27  1  0  0  0  0
  5  7  2  0  0  0  0
  9 13  1  0  0  0  0
 22 25  1  0  0  0  0
 24 26  1  0  0  0  0
M  END
>  <Mol_ID> (220)
220

>  <Formula> (220)
C20H25N5O2

>  <MolWeight> (220)
367.4448

>  <COMPOUND_NAME> (220)
WAY-311026

>  <BAR_CODE_NO> (220)
3915360

$$$$
WAY-312163
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -1.1241    0.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3483    0.3931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1241   -0.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8448    0.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1276   -0.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1448    1.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3483   -0.9414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8448   -1.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5690    0.1345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8448    1.3828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9517   -0.2690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6552    1.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5690   -0.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8448   -1.9172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3586    0.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3690   -0.9759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8552    2.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2310    0.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2966   -1.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9552   -1.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1828   -0.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6448    2.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0276    1.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3690   -2.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6034   -1.6759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2448    1.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8448    3.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1931   -2.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 12 18  2  0  0  0  0
 13 19  2  0  0  0  0
 16 20  1  0  0  0  0
 16 21  1  0  0  0  0
 17 22  2  0  0  0  0
 18 23  1  0  0  0  0
 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
 22 26  1  0  0  0  0
 22 27  1  0  0  0  0
 24 28  1  0  0  0  0
  5  7  2  0  0  0  0
  9 13  1  0  0  0  0
 23 26  2  0  0  0  0
 25 28  1  0  0  0  0
M  END
>  <Mol_ID> (221)
221

>  <Formula> (221)
C21H27N5O2

>  <MolWeight> (221)
381.47138

>  <COMPOUND_NAME> (221)
WAY-312163

>  <BAR_CODE_NO> (221)
3916749

$$$$
WAY-313150
csChFnd80/06171916322D

 34 38  0  0  0  0  0  0  0  0999 V2000
   -0.9538    0.1977    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2158   -0.3851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3503    0.7356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2848    0.0977    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8607   -0.4609    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7503   -0.8540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9779    0.6391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0986    1.3598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1676   -0.5471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2641    0.0805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8676    1.9873    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4641    1.1046    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7262    1.5942    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.3945   -0.8954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9089    0.0080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9980   -0.5747    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3704   -1.5747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2848    0.5460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1676   -0.5989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5807   -0.9264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9980    0.0563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9400    0.4736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8227   -0.6644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1635   -0.5989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5807    0.4046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2158   -0.1092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1635    0.0805    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7256    0.4046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3083    0.0563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3083   -0.5747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8911    0.3839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8911   -0.9264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4738    0.0563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4738   -0.5747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  1  0  0  0  0
 15 19  2  0  0  0  0
 16 20  1  0  0  0  0
 16 21  1  0  0  0  0
 18 22  2  0  0  0  0
 19 23  1  0  0  0  0
 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
 22 26  1  0  0  0  0
 24 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
 30 32  2  0  0  0  0
 31 33  1  0  0  0  0
 32 34  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
 23 26  2  0  0  0  0
 25 27  1  0  0  0  0
 33 34  2  0  0  0  0
M  END
>  <Mol_ID> (222)
222

>  <Formula> (222)
C25H22F3N5O

>  <MolWeight> (222)
465.4702896

>  <COMPOUND_NAME> (222)
WAY-313150

>  <BAR_CODE_NO> (222)
3917953

$$$$
WAY-312695
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
    0.0148    0.1386    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8769    0.6386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0148   -0.8545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9162    0.4455    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7252    0.1386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8769    1.6110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9162   -1.1545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8769   -1.3338    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4886   -0.3545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7252   -0.8545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1162    1.6110    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.8562    1.6110    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.8769    2.6076    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4645   -0.3407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5769   -1.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9404    0.5179    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9645   -1.1890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5769   -2.3235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4217   -0.8545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9300    0.5283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4266    1.3559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4217   -2.8028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2734   -1.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4162    1.3869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9059    2.2248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2734   -2.3235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9024    2.2386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 16 21  1  0  0  0  0
 18 22  1  0  0  0  0
 19 23  2  0  0  0  0
 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
 22 26  2  0  0  0  0
 24 27  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  2  0  0  0  0
 23 26  1  0  0  0  0
 25 27  1  0  0  0  0
M  END
>  <Mol_ID> (223)
223

>  <Formula> (223)
C19H17F3N4O

>  <MolWeight> (223)
374.3596896

>  <COMPOUND_NAME> (223)
WAY-312695

>  <BAR_CODE_NO> (223)
3917367

$$$$
WAY-310852
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -0.0793    0.0172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0793   -0.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7000    0.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6207    0.2379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7000   -1.0828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6207   -0.9448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3379    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7000    1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0207   -0.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3379   -0.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0207    1.1000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4379    1.1000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7000    1.8379    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.7621   -0.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9793   -1.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1207    0.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1379   -0.9828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6172   -0.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9793   -1.8241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7621    0.9379    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.8621    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2621   -1.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6172   -2.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1207    1.5759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0207    0.9379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2207    0.9172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2621   -1.8241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8621    1.5759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6379    1.5759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  1  0  0  0  0
 15 19  2  0  0  0  0
 16 20  1  0  0  0  0
 16 21  1  0  0  0  0
 18 22  2  0  0  0  0
 19 23  1  0  0  0  0
 20 24  1  0  0  0  0
 20 25  1  0  0  0  0
 21 26  1  0  0  0  0
 22 27  1  0  0  0  0
 24 28  1  0  0  0  0
 25 29  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
 23 27  2  0  0  0  0
 26 28  1  0  0  0  0
M  END
>  <Mol_ID> (224)
224

>  <Formula> (224)
C21H21F3N4O

>  <MolWeight> (224)
402.4128496

>  <COMPOUND_NAME> (224)
WAY-310852

>  <BAR_CODE_NO> (224)
3915139

$$$$
WAY-313210
csChFnd80/06171916322D

 34 38  0  0  0  0  0  0  0  0999 V2000
   -0.0310   -0.0310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0310   -0.6483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5310    0.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6483    0.1690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5310   -0.9862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6483   -0.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0931   -0.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5310    0.9690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0310   -0.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0931   -0.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1069    0.9690    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.5310    1.6138    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.1931    0.9690    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6690   -0.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6517   -0.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0069    0.2310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9828   -0.8862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2172   -0.6483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6517   -1.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6828    0.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6483    0.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7690   -0.9690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2172   -1.9483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0069    1.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9690    0.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7690   -1.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6310    1.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6690    1.9310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3310   -1.9483    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -2.9690    1.9310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9966    2.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8931   -1.6103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3310   -2.5862    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.6345    2.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 16 21  1  0  0  0  0
 18 22  1  0  0  0  0
 19 23  2  0  0  0  0
 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
 22 26  2  0  0  0  0
 24 27  2  0  0  0  0
 24 28  1  0  0  0  0
 26 29  1  0  0  0  0
 27 30  1  0  0  0  0
 28 31  2  0  0  0  0
 29 32  2  0  0  0  0
 29 33  1  0  0  0  0
 30 34  2  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
 23 26  1  0  0  0  0
 25 27  1  0  0  0  0
 31 34  1  0  0  0  0
M  END
>  <Mol_ID> (225)
225

>  <Formula> (225)
C23H16F3N5O3

>  <MolWeight> (225)
467.4000496

>  <COMPOUND_NAME> (225)
WAY-313210

>  <BAR_CODE_NO> (225)
3918040

$$$$
WAY-312983
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
    0.5032    0.2719    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0588   -0.7143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0588    1.2340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5826    0.0374    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7170   -1.5350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1588   -0.7143    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1588    1.2340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5205    2.1926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6998   -1.0660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5032   -2.6384    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.7243    0.2719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4860    1.6305    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.0895    3.1478    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4623    2.7581    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.6860   -1.6281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8278    0.2719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6481   -1.0419    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7032   -2.7281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3899    1.2340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3899   -0.7143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6481    0.0857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6032   -1.6074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4899    1.2340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4899   -0.7143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6032    0.6236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5653   -1.0419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0519    0.2719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5653    0.0857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1519    0.2719    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7105   -0.7143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 11 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 16 20  2  0  0  0  0
 17 21  1  0  0  0  0
 17 22  1  0  0  0  0
 19 23  2  0  0  0  0
 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
 22 26  1  0  0  0  0
 23 27  1  0  0  0  0
 25 28  1  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
  5  9  1  0  0  0  0
  7 11  1  0  0  0  0
 24 27  2  0  0  0  0
 26 28  1  0  0  0  0
M  END
>  <Mol_ID> (226)
226

>  <Formula> (226)
C20H18BrF3N4O2

>  <MolWeight> (226)
483.2817296

>  <COMPOUND_NAME> (226)
WAY-312983

>  <BAR_CODE_NO> (226)
3917747

$$$$
WAY-310546
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
    1.1766   -1.1247    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8217    0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6162   -1.5460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0999   -1.9126    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9064    1.3688    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6741    0.4456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7009   -0.5100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9711   -3.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2436   -0.9421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3460    0.9474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4707   -3.0378    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.4883   -3.2300    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.0675   -4.5003    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7010   -1.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4307    1.9835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7371   -0.2123    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1224   -2.7366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2301    3.4700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9064    1.7149    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1945   -0.5672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5818    4.1202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6179    3.0355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2306    0.5175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7171    0.3169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9620    1.9933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3672    1.6687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2825    2.7047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
 21 22  2  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <Mol_ID> (227)
227

>  <Formula> (227)
C17H11F3N4O2S

>  <MolWeight> (227)
392.3550496

>  <COMPOUND_NAME> (227)
WAY-310546

>  <BAR_CODE_NO> (227)
3914777

$$$$
WAY-312755
csChFnd80/06171916322D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -0.1797   -0.3553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7353   -0.0553    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1683    0.1307    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7353   -0.6613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1683   -0.8443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7767   -0.3493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2603   -0.9523    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2603    0.2477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0647    0.1727    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7763   -0.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7763   -0.6613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0797   -0.8653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6527    1.2197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2953    0.2477    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.6677    0.1787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7497    0.6857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0437    1.2137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9617    0.7037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  2  0  0  0  0
  5  4  2  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8  2  1  0  0  0  0
  9  6  1  0  0  0  0
 10  8  2  0  0  0  0
  7 11  2  0  0  0  0
 12  6  2  0  0  0  0
 13 17  1  0  0  0  0
 14 10  1  0  0  0  0
 15  9  1  0  0  0  0
 16  9  1  0  0  0  0
 17 16  1  0  0  0  0
 18 15  1  0  0  0  0
  4  2  1  0  0  0  0
 18 13  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <Mol_ID> (228)
228

>  <Formula> (228)
C11H11BrN4O2

>  <MolWeight> (228)
311.13464

>  <COMPOUND_NAME> (228)
WAY-312755

>  <BAR_CODE_NO> (228)
3917450

$$$$
WAY-230563
csChFnd80/06171916322D

 22 25  0  0  0  0  0  0  0  0999 V2000
   -1.8668   -1.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4599   -0.1447    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1565   -1.3516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2254   -2.4654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2461    0.2415    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4978    0.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5427   -0.1274    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7978   -2.4654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8668   -3.5826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0504    0.2588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2599   -1.1067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2461    1.5933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1565   -3.5826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6918    1.3726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7056   -0.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9815    1.3726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0435    2.4726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9953   -0.8516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6228    0.2795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6022    2.4967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6711    3.5898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9573    3.6036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  5 12  2  0  0  0  0
  8 13  2  0  0  0  0
 10 14  1  0  0  0  0
 10 15  2  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  2  0  0  0  0
 20 22  2  0  0  0  0
  6  7  2  0  0  0  0
  9 13  1  0  0  0  0
 18 19  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (229)
229

>  <Formula> (229)
C17H12N2O2S

>  <MolWeight> (229)
308.35438

>  <COMPOUND_NAME> (229)
WAY-230563

>  <BAR_CODE_NO> (229)
3915729

$$$$
WAY-311340
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -1.0447   -0.7449    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9240   -0.8725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8861    0.1275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3827   -1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3206   -0.0346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4585   -1.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6723    0.5689    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0585    0.5275    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4794   -1.1967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2206    0.0171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3723   -1.5829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1585    1.3585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3070   -1.8656    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7689   -0.7829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5139    1.9344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7930    1.7413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0760   -2.7311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1553   -1.5967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3691    1.6275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3691    2.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7070   -3.3587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8173   -2.2553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0794    2.2206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1070    3.4171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5794   -3.1208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9380    3.0827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5622    3.7206    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  2  0  0  0  0
 12 15  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  0  0  0  0
 15 19  1  0  0  0  0
 15 20  2  0  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
 19 23  2  0  0  0  0
 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
  5  7  1  0  0  0  0
 11 14  1  0  0  0  0
 22 25  1  0  0  0  0
 24 26  2  0  0  0  0
M  END
>  <Mol_ID> (230)
230

>  <Formula> (230)
C20H21ClN4O2

>  <MolWeight> (230)
384.85934

>  <COMPOUND_NAME> (230)
WAY-311340

>  <BAR_CODE_NO> (230)
3915715

$$$$
WAY-235142
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
    4.1390    5.9334    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0623    7.1817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1390    8.4300    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6567    6.4016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6567    7.9748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4371    4.7891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2194    6.5533    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.1390    3.6016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2194    5.1533    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4371    2.4053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3177    5.6169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3177    8.7160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4374    7.1817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1390    1.1963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0589    2.4053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.4016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.9748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3567    1.1963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4371    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0589    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9  7  1  0  0  0  0
 10  8  1  0  0  0  0
 11  4  2  0  0  0  0
 12  5  2  0  0  0  0
 13  7  1  0  0  0  0
 14 10  1  0  0  0  0
 15 10  2  0  0  0  0
 16 11  1  0  0  0  0
 17 16  2  0  0  0  0
 18 15  1  0  0  0  0
 19 14  2  0  0  0  0
 20 18  2  0  0  0  0
  3  5  1  0  0  0  0
 12 17  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (231)
231

>  <Formula> (231)
C17H18N2O

>  <MolWeight> (231)
266.33762

>  <COMPOUND_NAME> (231)
WAY-235142

>  <BAR_CODE_NO> (231)
3916057

$$$$
WAY-117311
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
    0.5375    1.0458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042   -1.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042   -1.6167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792   -2.1375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1500    0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792   -2.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167   -2.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792   -0.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042    1.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5625    0.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0958    1.4208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667    0.6708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708   -0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6458   -0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5500    2.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6375    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6458   -2.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167    2.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042    2.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    2.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292   -3.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8375   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9333    1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6833   -0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458   -2.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1292   -3.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7875   -3.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0458    0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500    1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  8  1  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  3  1  0  0  0  0
  8 14  1  0  0  0  0
  9  1  1  0  0  0  0
 10  5  1  0  0  0  0
 11  1  2  0  0  0  0
 12  1  2  0  0  0  0
 13 10  2  0  0  0  0
 14 13  1  0  0  0  0
 15  9  1  0  0  0  0
 16  9  2  0  0  0  0
 17  4  1  0  0  0  0
 18 16  1  0  0  0  0
 19 15  2  0  0  0  0
 20 18  2  0  0  0  0
 21  6  1  0  0  0  0
 22  7  1  0  0  0  0
 23 10  1  0  0  0  0
 24 13  1  0  0  0  0
 25 20  1  0  0  0  0
 26 17  1  0  0  0  0
 27 21  2  0  0  0  0
 28 22  2  0  0  0  0
 29 30  1  0  0  0  0
 30 23  2  0  0  0  0
 19 20  1  0  0  0  0
 24 29  2  0  0  0  0
  6  7  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (232)
232

>  <Formula> (232)
C23H24N4O2S

>  <MolWeight> (232)
420.52726

>  <COMPOUND_NAME> (232)
WAY-117311

>  <BAR_CODE_NO> (232)
3917728

$$$$
WAY-345109
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
    7.9917   -5.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3000   -5.0417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6000   -3.7667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2042   -6.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7250   -3.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6750   -3.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9125   -6.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3917   -7.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3542   -5.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0500   -6.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0917   -7.1042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5125   -8.0792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.4750   -7.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9667   -5.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5875   -7.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1167   -8.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9292   -4.8417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4250   -8.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2667   -5.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5375   -9.2750    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8542   -4.5792    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.9292   -3.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8292   -1.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0917   -1.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0417   -1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
 10  2  1  0  0  0  0
 11  9  1  0  0  0  0
 12 15  1  0  0  0  0
 13  7  2  0  0  0  0
 14  8  1  0  0  0  0
 15  4  2  0  0  0  0
 16  8  2  0  0  0  0
 17  9  2  0  0  0  0
 18 16  1  0  0  0  0
 19 14  2  0  0  0  0
 20 16  1  0  0  0  0
 21 18  2  0  0  0  0
 22 19  1  0  0  0  0
 23  5  1  0  0  0  0
 24  6  1  0  0  0  0
 25 23  2  0  0  0  0
 26 24  2  0  0  0  0
  6  5  2  0  0  0  0
 13 12  1  0  0  0  0
 26 25  1  0  0  0  0
 21 19  1  0  0  0  0
M  END
>  <Mol_ID> (233)
233

>  <Formula> (233)
C18H12F2N4OS

>  <MolWeight> (233)
370.3758864

>  <COMPOUND_NAME> (233)
WAY-345109

>  <BAR_CODE_NO> (233)
2555386

$$$$
WAY-311541
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -2.9863    2.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9863    0.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2622    2.7931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6932    2.7931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2622   -0.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6932   -0.1655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5449    2.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2829    4.3103    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.4311    2.0759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6932    4.3172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5449    0.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2622   -1.6034    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.6932   -1.6034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9068    1.3586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9068   -0.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1585   -0.8793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5102   -0.2552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3378   -2.3138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4965   -1.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7723   -2.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0137   -1.3586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4896   -3.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7309   -2.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0137   -3.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  9 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
  7 11  2  0  0  0  0
 19 20  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (234)
234

>  <Formula> (234)
C17H15Cl2N3O2

>  <MolWeight> (234)
364.2259

>  <COMPOUND_NAME> (234)
WAY-311541

>  <BAR_CODE_NO> (234)
3915945

$$$$
WAY-311747
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.1793    0.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6069    0.2241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1793    1.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9000    0.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0966    0.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0138   -0.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6069    1.5621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9000    1.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6138    0.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9207    0.8897    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.6000   -1.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6138    1.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3241    1.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3241    0.1793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2138   -1.1897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000   -1.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6138   -0.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6138   -1.8966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4172   -0.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4276   -1.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8276   -1.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  2  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
  5  7  2  0  0  0  0
  9 12  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (235)
235

>  <Formula> (235)
C16H21N3O2

>  <MolWeight> (235)
287.35684

>  <COMPOUND_NAME> (235)
WAY-311747

>  <BAR_CODE_NO> (235)
3916233

$$$$
WAY-310421-A
csChFnd80/06171916322D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -0.6526    0.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3354    1.2728    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3354   -0.6409    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5198    0.6108    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4526    0.8970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5871    2.2108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4526   -0.2996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2836   -1.5720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5198    1.7797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4802    1.4935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4802   -0.9030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8060   -1.1168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5474    2.4728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5388    0.8970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5388   -0.2996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7612   -1.8203    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5129    3.2004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5750    3.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4405    1.5280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6026   -3.0237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8543   -1.3409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5681   -3.7237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7784   -2.0754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6508   -3.2789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  2  0  0  0  0
 11 15  2  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  0  0  0  0
 13 19  1  0  0  0  0
 16 20  1  0  0  0  0
 16 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
  5  7  2  0  0  0  0
  6  9  2  0  0  0  0
 14 15  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (236)
236

>  <Formula> (236)
C19H26N4O

>  <MolWeight> (236)
326.43594

>  <COMPOUND_NAME> (236)
WAY-310421-A

>  <BAR_CODE_NO> (236)
3914635

$$$$
CL-421166
csChFnd80/06171916322D

 29 33  0  0  0  0  0  0  0  0999 V2000
    7.4046    7.4450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6883    6.7132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9272    8.0984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5868    7.4450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4874    6.5601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0386    6.1980    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6434    8.8713    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7337    7.9640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3665    6.6459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0081    8.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0064    7.1911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7561    5.7835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1812    9.4799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8295    8.9796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5713    6.4518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2240    7.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8464    7.0343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0273    5.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8937   10.2454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5533    9.7413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    7.0343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0723   10.3872    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7885   11.1639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3186   11.7987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1289   11.6680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0200   12.5865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6815   12.2989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5464   13.2399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3977   13.0942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  2  0  0  0  0
 11 17  1  0  0  0  0
 12 18  3  0  0  0  0
 13 19  1  0  0  0  0
 14 20  1  0  0  0  0
 15 21  2  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  2  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
  6  9  1  0  0  0  0
  8 11  1  0  0  0  0
 16 21  1  0  0  0  0
 20 22  1  0  0  0  0
 28 29  2  0  0  0  0
M  END
>  <Mol_ID> (237)
237

>  <Formula> (237)
C24H23N5

>  <MolWeight> (237)
381.47292

>  <COMPOUND_NAME> (237)
CL-421166

>  <BAR_CODE_NO> (237)
3917557

$$$$
CL-406456
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -0.6324   -0.6642    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6186   -0.6642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6324    1.0496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1496   -1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1048   -1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1048    0.1909    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6186    1.0496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1496    1.9047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6324   -2.3746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8676   -1.5125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6186   -2.3746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1186   -1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1048    1.9047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6324    2.7668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3642   -0.6470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1083   -3.2608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1324   -1.5125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6186    2.7668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3711   -0.6470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8883    0.2220    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8917    0.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3711    1.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4262    1.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8883    1.9909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9090    1.9530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  2  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
 12 17  3  0  0  0  0
 13 18  2  0  0  0  0
 15 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
  6  7  1  0  0  0  0
  9 11  1  0  0  0  0
 14 18  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (238)
238

>  <Formula> (238)
C19H21N5O

>  <MolWeight> (238)
335.40294

>  <COMPOUND_NAME> (238)
CL-406456

>  <BAR_CODE_NO> (238)
3917502

$$$$
WAY-311374
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
    3.5542   -0.3417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5500    0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8417   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8292    0.8958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1250   -0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8417   -1.5792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2625    0.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1250    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292   -1.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292   -2.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4250   -3.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6875    1.7333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167   -1.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042   -2.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042   -1.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8500   -3.2250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9792    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2542    1.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4042   -0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083   -3.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4042    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6917    0.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9667    2.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8542   -4.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7250   -2.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6917   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6917    0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  6  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 23  1  0  0  0  0
 13  9  2  0  0  0  0
 14 15  2  0  0  0  0
 15 13  1  0  0  0  0
 16 10  1  0  0  0  0
 17  7  1  0  0  0  0
 18  7  1  0  0  0  0
 19  5  2  0  0  0  0
 20 14  1  0  0  0  0
 21  8  2  0  0  0  0
 22 17  1  0  0  0  0
 23 18  1  0  0  0  0
 24 16  1  0  0  0  0
 25 20  1  0  0  0  0
 26 19  1  0  0  0  0
 27 26  2  0  0  0  0
  4  8  1  0  0  0  0
 22 12  1  0  0  0  0
 27 21  1  0  0  0  0
 11 14  1  0  0  0  0
M  END
>  <Mol_ID> (239)
239

>  <Formula> (239)
C20H23N5O2

>  <MolWeight> (239)
365.42892

>  <COMPOUND_NAME> (239)
WAY-311374

>  <BAR_CODE_NO> (239)
3915753

$$$$
WAY-311745
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -2.6759    1.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5138    0.9966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6759    2.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7552    0.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8241    1.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2552   -0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5621    2.9759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7448    3.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8034    1.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4069    1.9862    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0931   -0.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8034    2.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0241    3.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1655   -1.7517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8172    0.2483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3069   -2.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5448   -3.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2241   -1.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7069   -3.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3966   -1.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6379   -2.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7759   -3.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6966   -2.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  8 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
  5  7  2  0  0  0  0
  9 12  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (240)
240

>  <Formula> (240)
C18H19N3OS

>  <MolWeight> (240)
325.42796

>  <COMPOUND_NAME> (240)
WAY-311745

>  <BAR_CODE_NO> (240)
3916231

$$$$
WAY-310288
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
    1.4310   -0.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4310    0.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1310   -1.5897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7310   -1.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1310    1.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7310    1.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1690   -0.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0310   -0.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7310   -3.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1690    0.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1310    2.9310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0310    0.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4483   -1.5897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4483    1.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3310    1.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7483   -0.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7483    0.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0690   -1.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0690    1.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  2  0  0  0  0
 10 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
  7 10  1  0  0  0  0
  8 12  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (241)
241

>  <Formula> (241)
C16H17N3

>  <MolWeight> (241)
251.32628

>  <COMPOUND_NAME> (241)
WAY-310288

>  <BAR_CODE_NO> (241)
3914483

$$$$
WAY-312136-A
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -1.6207    0.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9103    0.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6172   -0.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3345    0.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9172    1.3793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1966    0.1414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9103   -1.0966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3345   -1.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0414    0.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1966    1.7897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6310    1.7897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1931   -0.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0414   -0.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1966    2.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6310    2.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5207   -1.0966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9103    3.0276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3448   -1.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7517   -1.8103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7448   -0.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5690   -1.8103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5690   -0.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9828   -1.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8069   -1.0966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3931   -1.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  8 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
  7 12  2  0  0  0  0
  9 13  2  0  0  0  0
 15 17  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (242)
242

>  <Formula> (242)
C19H20N4O2

>  <MolWeight> (242)
336.3877

>  <COMPOUND_NAME> (242)
WAY-312136-A

>  <BAR_CODE_NO> (242)
3916720

$$$$
WAY-311903
csChFnd80/06171916322D

 23 26  0  0  0  0  0  0  0  0999 V2000
   -0.1644   -0.6192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1162   -0.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1644   -1.7365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7907   -0.0606    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1162    1.0566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0713   -0.6192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7907   -2.2985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1162   -2.2985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7907    1.0566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1644    1.6497    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0713    1.6497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0575   -0.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7907   -3.4158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1162   -3.4158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7425    1.5842    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0575    1.0566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0437   -0.6192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1644   -3.9744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7597    2.6842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6976    1.0256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7287    3.2118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6494    1.5497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6838    2.6532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 13 18  1  0  0  0  0
 15 19  1  0  0  0  0
 15 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
  9 10  2  0  0  0  0
 12 16  2  0  0  0  0
 14 18  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (243)
243

>  <Formula> (243)
C19H19N3O

>  <MolWeight> (243)
305.37366

>  <COMPOUND_NAME> (243)
WAY-311903

>  <BAR_CODE_NO> (243)
3916430

$$$$
WAY-246857
csChFnd80/06171916322D

 28 30  0  0  0  0  0  0  0  0999 V2000
   -0.3415   -0.9199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6208   -1.5751    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3689   -0.8337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7725   -0.3510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3311   -1.6613    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6482   -0.1786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4898    0.3111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6898   -2.2751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0208   -1.8441    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6898   -1.0406    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2171    0.3938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4070   -2.2751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3346   -2.8924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4964    1.0490    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7587   -2.8924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6898   -3.5096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2068    1.1352    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5930    1.7559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2139    1.1490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4070   -3.5096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4827    1.7973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1861    1.6938    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2137    2.4559    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6240    2.2559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6551    3.0145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3585    2.9145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3309    2.1559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3861    3.6766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  8 12  2  0  0  0  0
  8 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
 14 17  1  0  0  0  0
 14 18  2  0  0  0  0
 14 19  2  0  0  0  0
 15 20  2  0  0  0  0
 17 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  2  0  0  0  0
 24 27  1  0  0  0  0
 25 28  1  0  0  0  0
  7 11  2  0  0  0  0
 16 20  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (244)
244

>  <Formula> (244)
C18H18N4O4S2

>  <MolWeight> (244)
418.48992

>  <COMPOUND_NAME> (244)
WAY-246857

>  <BAR_CODE_NO> (244)
3918030

$$$$
WAY-312001
csChFnd80/06171916322D

 34 37  0  0  0  0  0  0  0  0999 V2000
    0.2103    0.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2103    1.5103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5276    0.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9448    0.2379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9448    1.9379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2655    1.5069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5276   -0.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2655    0.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6828    0.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6828    1.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9448    2.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2759   -1.0414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2138   -1.0414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0966    2.7862    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.7966    2.7862    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.9448    3.6414    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2759   -1.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0241   -0.6034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1586    0.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207   -0.6034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0379   -2.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7759   -1.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8966    0.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1517   -1.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7793   -1.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9000   -0.6034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6448    0.6828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5379   -2.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6517    1.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2793   -1.8897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5379   -3.1931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0379   -2.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7793   -1.8793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  2  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
 12 19  1  0  0  0  0
 14 20  1  0  0  0  0
 14 21  2  0  0  0  0
 18 22  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  2  0  0  0  0
 21 25  1  0  0  0  0
 22 26  1  0  0  0  0
 24 27  1  0  0  0  0
 24 28  1  0  0  0  0
 26 29  1  0  0  0  0
 28 30  1  0  0  0  0
 29 31  1  0  0  0  0
 29 32  2  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
  6  8  2  0  0  0  0
  9 10  1  0  0  0  0
 23 26  1  0  0  0  0
 25 27  2  0  0  0  0
M  END
>  <Mol_ID> (245)
245

>  <Formula> (245)
C22H22F3N5O4

>  <MolWeight> (245)
477.4363896

>  <COMPOUND_NAME> (245)
WAY-312001

>  <BAR_CODE_NO> (245)
3916553

$$$$
WAY-237190
csChFnd80/06171916322D

 18 20  0  0  0  0  0  0  0  0999 V2000
    1.4199    0.3849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2027    1.0780    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4199   -1.0048    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6406    1.0780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2027    2.5056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1387    0.6780    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2027   -1.7013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6406    2.5056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4199    3.1987    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1387    2.9056    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9456    1.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2027   -3.1255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0180   -1.0048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8579    3.1987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0180   -3.8220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2352   -1.7013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2352   -3.1255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4801   -3.8220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
 12 15  2  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (246)
246

>  <Formula> (246)
C13H13N5

>  <MolWeight> (246)
239.27582

>  <COMPOUND_NAME> (246)
WAY-237190

>  <BAR_CODE_NO> (246)
3916969

$$$$
WAY-229387
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -1.9958    0.7208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9958    1.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8625    1.9333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833    2.1333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8833    0.4333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4208    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708    1.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833   -0.6667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958   -1.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2292   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792   -0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708   -2.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4500   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042   -1.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292    2.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0500   -2.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8167   -1.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  2  1  0  0  0  0
  6  3  2  0  0  0  0
  7  1  1  0  0  0  0
  8  7  2  0  0  0  0
  9  6  1  0  0  0  0
 10  3  1  0  0  0  0
 11 10  1  0  0  0  0
 12 15  2  0  0  0  0
 13 11  1  0  0  0  0
 14 11  2  0  0  0  0
 15 14  1  0  0  0  0
 16 13  2  0  0  0  0
 17  9  1  0  0  0  0
 18 12  1  0  0  0  0
 19 18  1  0  0  0  0
  8  4  1  0  0  0  0
  9  5  2  0  0  0  0
 16 12  1  0  0  0  0
M  END
>  <Mol_ID> (247)
247

>  <Formula> (247)
C14H15N5

>  <MolWeight> (247)
253.3024

>  <COMPOUND_NAME> (247)
WAY-229387

>  <BAR_CODE_NO> (247)
3916974

$$$$
WAY-312673
csChFnd80/06171916322D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -0.4000    0.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0414    0.5828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4000   -0.5414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2483    0.5828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0414    1.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7552    0.3517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2483   -0.9172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2483    1.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4000    1.7103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7552    1.5586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1931    0.9621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000   -0.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2483   -1.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9069    1.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5483   -0.9172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000   -2.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5483   -1.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2000   -2.0483    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
  7 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
 15 17  2  0  0  0  0
 17 18  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (248)
248

>  <Formula> (248)
C12H10FN5

>  <MolWeight> (248)
243.2397032

>  <COMPOUND_NAME> (248)
WAY-312673

>  <BAR_CODE_NO> (248)
3917335

$$$$
WAY-232364
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -1.5934    1.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9037    1.9345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5934   -0.3414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2486    1.9345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9037    3.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3417    1.4862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2727   -1.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2486    3.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5934    4.2345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3417    3.9345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2072    2.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2727   -2.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0721   -0.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0997    4.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0721   -3.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3894   -1.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3894   -2.6759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7100   -3.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7100   -4.9759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0549   -2.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0238   -5.7483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
  7 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
 15 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (249)
249

>  <Formula> (249)
C14H13N5O2

>  <MolWeight> (249)
283.28532

>  <COMPOUND_NAME> (249)
WAY-232364

>  <BAR_CODE_NO> (249)
3916967

$$$$
WAY-232363
csChFnd80/06171916322D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -1.6521    1.0795    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4797    0.3864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6521    2.4622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9624    0.6519    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4797   -0.9964    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7617    1.0795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4797    3.1553    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9624    2.8864    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7452    1.7691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7238   -1.6860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7617    2.4622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7238   -3.0723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9307   -0.9964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9652    3.2071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9307   -3.7619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6590   -3.8688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1376   -1.6860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1376   -3.0723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  2  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 15 18  1  0  0  0  0
  7 11  2  0  0  0  0
  8  9  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (250)
250

>  <Formula> (250)
C13H13N5

>  <MolWeight> (250)
239.27582

>  <COMPOUND_NAME> (250)
WAY-232363

>  <BAR_CODE_NO> (250)
3918244

$$$$
WAY-232367
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -0.3002    0.4205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1105    0.8929    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3002   -0.4933    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5136    0.8929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1105    1.8343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0002    0.6067    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4895   -0.9554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5136    1.8343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3002    2.3067    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9795    2.1067    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5381    1.3929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5136   -1.8933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2619   -0.4795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3136    2.2929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3343   -2.3278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2657   -2.3830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0895   -0.9140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1136   -1.8278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2381   -3.3071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
  7 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  2  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (251)
251

>  <Formula> (251)
C14H15N5

>  <MolWeight> (251)
253.3024

>  <COMPOUND_NAME> (251)
WAY-232367

>  <BAR_CODE_NO> (251)
3916973

$$$$
WAY-312484
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -1.8290    1.1418    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7980    0.5555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8290    2.3107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9635    0.7693    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7980   -0.6134    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2193    1.1418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7980    2.9004    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9635    2.6866    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6393    1.7555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2055   -1.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2193    2.3107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2262   -0.6134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2055   -2.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2469    2.9314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2538   -1.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2262   -2.9789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2538   -2.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2813   -2.9789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2813   -4.1479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  2  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
  7 11  2  0  0  0  0
  8  9  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (252)
252

>  <Formula> (252)
C13H13N5O

>  <MolWeight> (252)
255.27522

>  <COMPOUND_NAME> (252)
WAY-312484

>  <BAR_CODE_NO> (252)
3917125

$$$$
WAY-312344
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
    1.2336    0.5523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2129    1.1350    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2336   -0.6133    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2543    1.1350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2129    2.3281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9112    0.7971    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2129   -1.1960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2543    2.3281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2336    2.9109    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9112    2.6660    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5836    1.7143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2129   -2.3891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8077   -0.6133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2785    2.9109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8077   -2.9719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8284   -1.1960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8284   -2.3891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7871   -4.1374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8733   -2.9719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
 12 15  2  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (253)
253

>  <Formula> (253)
C14H15N5

>  <MolWeight> (253)
253.3024

>  <COMPOUND_NAME> (253)
WAY-312344

>  <BAR_CODE_NO> (253)
3916970

$$$$
CL-426948
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -0.4802    0.5332    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4802   -0.3151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1837    0.9470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3060    0.8021    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1837   -0.7220    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3060   -0.5461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9147    0.5332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1837    1.7952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7749    0.1263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9147   -0.2841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0354    1.7952    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1837    2.6125    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3664    1.7952    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6198    0.1263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6458   -0.7220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0370    0.8573    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0611   -0.6048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6458   -1.5392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3768   -0.3151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8818    0.8573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3768   -1.9530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1078   -0.7220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2922    0.1263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1078   -1.5392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8818   -0.5772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1060    0.1263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2922   -1.3082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5232   -0.5772    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1060   -1.3082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  2  0  0  0  0
 20 23  1  0  0  0  0
 21 24  2  0  0  0  0
 23 25  1  0  0  0  0
 23 26  2  0  0  0  0
 25 27  2  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
 22 24  1  0  0  0  0
 28 29  2  0  0  0  0
M  END
>  <Mol_ID> (254)
254

>  <Formula> (254)
C20H14F3N5O

>  <MolWeight> (254)
397.3532696

>  <COMPOUND_NAME> (254)
CL-426948

>  <BAR_CODE_NO> (254)
3915432

$$$$
WAY-310461
csChFnd80/06171916322D

 17 19  0  0  0  0  0  0  0  0999 V2000
    6.4820    2.2436    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7831    1.6828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5471    1.2153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2638    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6274    0.2804    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9986    2.3684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1916    1.3399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2684    1.8074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1232    3.7629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1800    2.8592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4943    4.0512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3501    0.2180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6072    2.6410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2284    2.7812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9478    0.3738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3869    1.6593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.8074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  2  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  6  1  0  0  0  0
  9  6  2  0  0  0  0
 10  8  1  0  0  0  0
 11  9  1  0  0  0  0
 12  7  1  0  0  0  0
 13  7  2  0  0  0  0
 14 13  1  0  0  0  0
 15 12  2  0  0  0  0
 16 14  2  0  0  0  0
 17 16  1  0  0  0  0
  5  4  1  0  0  0  0
 11 10  2  0  0  0  0
 16 15  1  0  0  0  0
M  END
>  <Mol_ID> (255)
255

>  <Formula> (255)
C13H10N2O2

>  <MolWeight> (255)
226.2307

>  <COMPOUND_NAME> (255)
WAY-310461

>  <BAR_CODE_NO> (255)
3914682

$$$$
WAY-312539
csChFnd80/06171916322D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -0.1448   -0.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6034   -0.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5897   -0.6862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5897    0.5310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9793    0.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9793   -0.7276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3069   -0.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3069    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7310    0.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7310   -0.7276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9621   -0.8310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9621    0.6828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1034   -0.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1034    1.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6103   -0.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6103    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8552   -0.0759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  2  0  0  0  0
  9 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12 16  2  0  0  0  0
 13 17  1  0  0  0  0
  7  8  2  0  0  0  0
 10 13  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (256)
256

>  <Formula> (256)
C13H11N3O

>  <MolWeight> (256)
225.24594

>  <COMPOUND_NAME> (256)
WAY-312539

>  <BAR_CODE_NO> (256)
3917192

$$$$
WAY-313194
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -0.5644    0.2993    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6748   -0.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1080   -0.6352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1851    1.3924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6748   -1.2248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6886    0.5166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2770   -0.7007    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5644   -1.5731    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9252    1.6269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6886   -1.8145    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6886   -0.0731    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6886    1.6890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7976   -1.7455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7597    0.3683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2907    2.7407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6976    0.7614    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6886   -1.2248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6886   -2.9593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9252   -1.9765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8907    0.6442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4080    2.9683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7093   -1.7696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8321   -1.2421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8114   -0.0731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7804    4.0545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  9 15  1  0  0  0  0
  9 16  2  0  0  0  0
 10 17  1  0  0  0  0
 10 18  1  0  0  0  0
 13 19  1  0  0  0  0
 14 20  1  0  0  0  0
 15 21  1  0  0  0  0
 17 22  2  0  0  0  0
 19 23  1  0  0  0  0
 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
  5  8  1  0  0  0  0
 11 17  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (257)
257

>  <Formula> (257)
C16H23N5O4

>  <MolWeight> (257)
349.38492

>  <COMPOUND_NAME> (257)
WAY-313194

>  <BAR_CODE_NO> (257)
3918010

$$$$
WAY-312982
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -0.4332    0.2916    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5504   -0.0739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2530   -0.6498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0470    1.4192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5504   -1.2462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5608    0.5296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4496   -0.7118    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4332   -1.6187    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0875    1.6641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5608   -1.8497    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5884   -0.0739    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5608    1.7021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9978   -1.7842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0806    0.2640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4668    2.7710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8668    0.7778    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5884   -1.2462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5608   -3.0429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1771   -1.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2771    0.2261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6185    3.0055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6401   -1.8222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8116   -0.8187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9875    4.1366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  9 15  1  0  0  0  0
  9 16  2  0  0  0  0
 10 17  1  0  0  0  0
 10 18  1  0  0  0  0
 13 19  1  0  0  0  0
 14 20  1  0  0  0  0
 15 21  1  0  0  0  0
 17 22  2  0  0  0  0
 19 23  1  0  0  0  0
 21 24  1  0  0  0  0
  5  8  1  0  0  0  0
 11 17  1  0  0  0  0
 20 23  1  0  0  0  0
M  END
>  <Mol_ID> (258)
258

>  <Formula> (258)
C14H19N5O5

>  <MolWeight> (258)
337.33116

>  <COMPOUND_NAME> (258)
WAY-312982

>  <BAR_CODE_NO> (258)
3917746

$$$$
WAY-344600
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
   10.2667   -5.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5167   -4.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5167   -6.0667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.3542   -7.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4417   -6.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0792   -7.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9875   -6.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3167   -5.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3542   -5.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3167   -4.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0792   -5.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9875   -8.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4417   -8.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5417   -5.0417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.0792   -9.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3417   -9.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1792   -6.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -3.9375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9125   -7.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4292  -10.5167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9750  -10.5417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2167   -6.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2167   -3.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1167   -5.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1167   -4.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  6  1  0  0  0  0
  5 17  1  0  0  0  0
  6  5  1  0  0  0  0
  7  9  1  0  0  0  0
  8  3  1  0  0  0  0
  9 11  1  0  0  0  0
 10  2  1  0  0  0  0
 11  5  2  0  0  0  0
 12  4  2  0  0  0  0
 13  6  2  0  0  0  0
 14  1  1  0  0  0  0
 15 13  1  0  0  0  0
 16 15  2  0  0  0  0
 17 14  1  0  0  0  0
 18  9  2  0  0  0  0
 19  3  1  0  0  0  0
 20 15  1  0  0  0  0
 21 16  1  0  0  0  0
 22  8  2  0  0  0  0
 23 10  2  0  0  0  0
 24 22  1  0  0  0  0
 25 23  1  0  0  0  0
 10  8  1  0  0  0  0
 25 24  2  0  0  0  0
  4  7  1  0  0  0  0
 12 16  1  0  0  0  0
M  END
>  <Mol_ID> (259)
259

>  <Formula> (259)
C18H14N2O4S

>  <MolWeight> (259)
354.37976

>  <COMPOUND_NAME> (259)
WAY-344600

>  <BAR_CODE_NO> (259)
2554829

$$$$
WAY-344904
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   11.3375   -6.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7792   -6.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4792   -8.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9417   -7.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9917   -8.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3250   -2.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3542   -1.6167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3625   -4.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5750   -5.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7917   -2.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1750   -4.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7917   -3.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9417   -2.9417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.2417   -3.8542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5667   -4.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1625   -3.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1167   -5.9667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8792   -8.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3167   -7.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000   -1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000   -4.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4500   -7.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6 13  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
  9  1  1  0  0  0  0
 10  7  1  0  0  0  0
 11  2  1  0  0  0  0
 12  8  1  0  0  0  0
 13 15  1  0  0  0  0
 14  9  2  0  0  0  0
 15 11  1  0  0  0  0
 16 11  2  0  0  0  0
 17  9  1  0  0  0  0
 18  3  1  0  0  0  0
 19  4  1  0  0  0  0
 20 10  2  0  0  0  0
 21 12  2  0  0  0  0
 22 17  1  0  0  0  0
 23 22  1  0  0  0  0
 24 21  1  0  0  0  0
 25 20  1  0  0  0  0
  4  5  1  0  0  0  0
 12 10  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (260)
260

>  <Formula> (260)
C18H19N3O3S

>  <MolWeight> (260)
357.42676

>  <COMPOUND_NAME> (260)
WAY-344904

>  <BAR_CODE_NO> (260)
2555136

$$$$
WAY-310467
csChFnd80/06171916322D

 28 30  0  0  0  0  0  0  0  0999 V2000
   -0.3552   -0.9586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7379   -1.0966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2759   -0.5586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0379   -1.2172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0379   -0.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000   -0.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3448   -1.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4172   -0.9793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9759   -0.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000   -0.6586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1828    0.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6621   -1.3345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7379   -0.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -1.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000   -0.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5621    0.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6759   -0.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6448    0.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000   -0.1172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0000   -0.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0241    0.6828    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1000    1.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4828    1.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7828    1.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5448    1.6034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8448    1.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2241    1.8655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2828    2.2828    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 11 16  1  0  0  0  0
 13 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  2  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
  7 10  2  0  0  0  0
 15 17  2  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <Mol_ID> (261)
261

>  <Formula> (261)
C20H20ClN5OS

>  <MolWeight> (261)
413.9237

>  <COMPOUND_NAME> (261)
WAY-310467

>  <BAR_CODE_NO> (261)
3914688

$$$$
WAY-311384
csChFnd80/06171916322D

 34 37  0  0  0  0  0  0  0  0999 V2000
    0.7828    0.0103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7828   -0.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2034    0.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3207    0.1621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2034   -0.7207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3207   -0.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6207    0.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2034    0.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0552   -0.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6207   -0.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2034    1.2414    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.7034    0.7414    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6828    0.7414    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4448   -0.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0552   -0.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6966    0.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6966   -0.6517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4828   -0.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1034   -1.1897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1862    0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8034   -0.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5828   -1.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4310    0.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4310   -0.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9069    0.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1655    1.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9069   -0.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1448    0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6793    1.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4310    1.4621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1655   -0.6724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6448    0.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9069   -1.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8862    0.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 20 24  2  0  0  0  0
 23 25  2  0  0  0  0
 23 26  1  0  0  0  0
 24 27  1  0  0  0  0
 25 28  1  0  0  0  0
 26 29  1  0  0  0  0
 26 30  2  0  0  0  0
 27 31  1  0  0  0  0
 28 32  1  0  0  0  0
 31 33  1  0  0  0  0
 32 34  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
 21 22  2  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <Mol_ID> (262)
262

>  <Formula> (262)
C22H17F3N4O5

>  <MolWeight> (262)
474.3893896

>  <COMPOUND_NAME> (262)
WAY-311384

>  <BAR_CODE_NO> (262)
3915763

$$$$
WAY-312367
csChFnd80/06171916322D

 31 35  0  0  0  0  0  0  0  0999 V2000
    0.1481   -0.0727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4515   -0.5969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5515    0.3928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4657   -0.0796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0481   -0.4589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1653   -1.1382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1136    0.1273    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4343    0.9928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7657   -0.5969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5274   -0.8727    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4519   -1.1382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6515    0.4204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3726   -0.6072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1860    0.1204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6515    1.0066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7002   -0.0934    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6726   -1.1382    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7274    0.4273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1757    1.3273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3002   -0.0969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2864   -1.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7136    1.0411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6002   -0.6175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6036    0.4411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5726   -1.6934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2343    1.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2002   -0.6279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2243    0.4204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7274    1.0204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2343    1.9721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5243   -0.0969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  9 13  1  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  2  0  0  0  0
 20 23  2  0  0  0  0
 20 24  1  0  0  0  0
 21 25  2  0  0  0  0
 22 26  1  0  0  0  0
 23 27  1  0  0  0  0
 24 28  2  0  0  0  0
 26 29  1  0  0  0  0
 26 30  2  0  0  0  0
 27 31  2  0  0  0  0
  5  7  1  0  0  0  0
  9 11  1  0  0  0  0
 19 22  1  0  0  0  0
 21 23  1  0  0  0  0
 28 31  1  0  0  0  0
M  END
>  <Mol_ID> (263)
263

>  <Formula> (263)
C23H12N2O6

>  <MolWeight> (263)
412.35118

>  <COMPOUND_NAME> (263)
WAY-312367

>  <BAR_CODE_NO> (263)
3916996

$$$$
WAY-245204
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.2729   -0.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1271    0.2007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9902   -0.3993    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1271   -0.9200    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7892    0.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1108    0.8904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4729    0.1283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3522   -1.0200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7892   -0.7200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4098    0.3421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3478    1.4007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8108    1.0007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1108   -0.1717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3522    0.8283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0281   -0.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0522   -1.6717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4098   -1.0579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0271    0.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0271    1.2800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0271   -0.7200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4719    1.8007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  7 14  2  0  0  0  0
  8 15  1  0  0  0  0
  8 16  2  0  0  0  0
  9 17  1  0  0  0  0
 10 18  1  0  0  0  0
 11 19  1  0  0  0  0
 17 20  1  0  0  0  0
 19 21  1  0  0  0  0
  5  9  2  0  0  0  0
 13 15  2  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (264)
264

>  <Formula> (264)
C15H15NO4S

>  <MolWeight> (264)
305.3489

>  <COMPOUND_NAME> (264)
WAY-245204

>  <BAR_CODE_NO> (264)
3915470

$$$$
WAY-226745
csChFnd80/06171916322D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.9239   -0.2617    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0416    0.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2274    0.3280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7688   -1.6824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4623    0.7142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6895    2.0487    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0722    1.7521    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3757   -0.5272    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9308   -2.5134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5554   -2.2755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2347    1.9280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1347   -0.5582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2136   -1.9479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6726    1.8418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5795    3.2038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5554   -0.6168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3619   -2.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3278    0.5970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  8 13  2  0  0  0  0
 11 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 18  2  0  0  0  0
  6  7  1  0  0  0  0
  9 13  1  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (265)
265

>  <Formula> (265)
C13H12N4O

>  <MolWeight> (265)
240.26058

>  <COMPOUND_NAME> (265)
WAY-226745

>  <BAR_CODE_NO> (265)
3914983

$$$$
WAY-311693
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
    0.6102    0.6679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0228    0.2839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6072    1.4089    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7008    0.6529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2522    0.2929    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0228   -0.4661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3368    0.2839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3368   -0.4661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7008   -0.8501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8972    0.6679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8972    1.4149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9938    0.6529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9938   -0.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6508   -0.4661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6508    0.2839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7008    1.4089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6162   -0.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2612   -1.9721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2612   -2.7251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6162   -1.6061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2612   -0.4541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2988   -0.8501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9182   -1.6061    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5422    0.3049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5362    1.7809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2988    0.6679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9438    0.2959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1872    0.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1872    1.4209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  2  0  0  0  0
  7  4  1  0  0  0  0
  8  7  2  0  0  0  0
  9  6  1  0  0  0  0
 10  5  1  0  0  0  0
 11  3  1  0  0  0  0
 12  7  1  0  0  0  0
 13  8  1  0  0  0  0
 14 13  2  0  0  0  0
 12 15  2  0  0  0  0
 16  4  2  0  0  0  0
 17  6  1  0  0  0  0
 18 20  1  0  0  0  0
 19 18  2  0  0  0  0
 20 17  1  0  0  0  0
 21  5  1  0  0  0  0
 22 14  1  0  0  0  0
 23 18  1  0  0  0  0
 24 10  1  0  0  0  0
 25 11  1  0  0  0  0
 26 15  1  0  0  0  0
 27 26  1  0  0  0  0
 24 28  2  0  0  0  0
 29 25  2  0  0  0  0
 11 10  2  0  0  0  0
  8  9  1  0  0  0  0
 29 28  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (266)
266

>  <Formula> (266)
C22H20N2O5

>  <MolWeight> (266)
392.4046

>  <COMPOUND_NAME> (266)
WAY-311693

>  <BAR_CODE_NO> (266)
3916158

$$$$
WAY-310402
csChFnd80/06171916322D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -0.3966   -0.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9793   -0.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3034   -0.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6586    0.6621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5966   -0.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8793   -1.2586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4207   -1.0793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9034    0.1414    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3966    0.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2172    1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1793   -1.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6034   -0.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8966    1.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1931    0.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7828    0.7828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  6 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  3  0  0  0  0
  5  9  1  0  0  0  0
  7 11  1  0  0  0  0
M  END
>  <Mol_ID> (267)
267

>  <Formula> (267)
C10H9N3S2

>  <MolWeight> (267)
235.32856

>  <COMPOUND_NAME> (267)
WAY-310402

>  <BAR_CODE_NO> (267)
3914616

$$$$
WAY-311276
csChFnd80/06171916322D

 16 18  0  0  0  0  0  0  0  0999 V2000
   -0.0448    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4793   -0.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0414   -0.8276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6655    0.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4724   -0.8276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2621    0.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7586   -1.2345    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6724   -1.2345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3828    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6621    1.2448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2483   -1.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7379   -0.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3828   -0.8241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3793    1.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0931    1.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8069    1.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  8 13  2  0  0  0  0
 10 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
  5  7  1  0  0  0  0
  9 13  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (268)
268

>  <Formula> (268)
C12H13N3S

>  <MolWeight> (268)
231.31672

>  <COMPOUND_NAME> (268)
WAY-311276

>  <BAR_CODE_NO> (268)
3915646

$$$$
CL-406828
csChFnd80/06171916322D

 25 29  0  0  0  0  0  0  0  0999 V2000
    0.0334   -1.4244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5011   -1.4244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7955   -0.9796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0334   -2.3003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5011   -2.3003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2597   -0.9796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7955   -0.1037    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5541   -1.4244    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7321   -2.7382    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7955   -2.7382    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2597   -2.7382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0218   -1.4244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5541    0.3342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0334    0.3342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5541   -2.3003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0218   -2.3003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5541    1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0334    1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7955    1.6515    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7955    2.5273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0334    2.9653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5541    2.9653    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0334    3.8446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5541    3.8446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7955    4.2825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
 11 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  2  0  0  0  0
  5  9  1  0  0  0  0
 10 15  2  0  0  0  0
 12 16  1  0  0  0  0
 18 19  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (269)
269

>  <Formula> (269)
C19H21N5S

>  <MolWeight> (269)
351.46854

>  <COMPOUND_NAME> (269)
CL-406828

>  <BAR_CODE_NO> (269)
3917586

$$$$
CL-319477
csChFnd80/06171916322D

 21 24  0  0  0  0  0  0  0  0999 V2000
    0.1210   -0.7860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3963   -0.6170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5831   -0.5170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1210   -1.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583    0.5036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7066   -1.0550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5831    0.0243    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0520   -0.7860    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3963   -1.4860    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5831   -1.5860    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2790    0.6140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3963    0.9036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1210    0.2933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0520    0.2933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0520   -1.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4480    1.1243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5583    1.4140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1210    0.8347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0520    0.8347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0859    1.5243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5831    1.1036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
 11 16  1  0  0  0  0
 12 17  2  0  0  0  0
 13 18  1  0  0  0  0
 14 19  1  0  0  0  0
 16 20  2  0  0  0  0
 18 21  1  0  0  0  0
  6  9  1  0  0  0  0
 10 15  2  0  0  0  0
 17 20  1  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <Mol_ID> (270)
270

>  <Formula> (270)
C16H15N3OS

>  <MolWeight> (270)
297.3748

>  <COMPOUND_NAME> (270)
CL-319477

>  <BAR_CODE_NO> (270)
3914964

$$$$
CL-417925
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.5916    2.6352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5916    4.1459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9263    1.8530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8507    2.1365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8751    4.6055    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9165    4.9135    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2610    2.6401    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9410    0.3178    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7698    3.3784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3152    0.6845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2464    4.1704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6160   -0.4498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3099    3.3784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6160   -1.9850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7040   -2.7770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0534   -2.0094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6943   -4.3073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3735   -2.7770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0241   -5.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3588   -4.3268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  6 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
  5  9  1  0  0  0  0
  7 11  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (271)
271

>  <Formula> (271)
C16H17N3S

>  <MolWeight> (271)
283.39128

>  <COMPOUND_NAME> (271)
CL-417925

>  <BAR_CODE_NO> (271)
3916535

$$$$
WAY-310942
csChFnd80/06171916322D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.4364   -0.5998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6223   -1.0136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1260   -1.4825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8329    0.4727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5705   -2.1274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6085   -0.4756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5088   -2.4239    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2639   -1.3067    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9570    0.6416    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1433    1.3451    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5326   -2.7171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5705   -1.0653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6777   -0.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5605    2.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5533   -2.1722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1223    3.3002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2395    3.1313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3122    4.3382    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  8 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
  5  7  1  0  0  0  0
  9 13  1  0  0  0  0
 12 15  1  0  0  0  0
M  END
>  <Mol_ID> (272)
272

>  <Formula> (272)
C12H13N3O2S

>  <MolWeight> (272)
263.31552

>  <COMPOUND_NAME> (272)
WAY-310942

>  <BAR_CODE_NO> (272)
3915249

$$$$
WAY-344727
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   11.8750   -5.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7375   -7.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0250   -2.8667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.2000   -5.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3875   -6.7792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.9917   -4.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9167   -8.6125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3792   -7.1792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5417   -5.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2375   -8.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6917   -2.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333   -1.1542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208   -4.5875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458   -2.8750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3417   -4.2750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5542   -4.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5167   -1.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6167   -2.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2125   -1.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2500   -4.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0792   -2.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -4.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6542   -4.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4125  -10.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7875   -2.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3 11  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  4  2  0  0  0  0
  9  6  2  0  0  0  0
 10  8  1  0  0  0  0
 11 16  2  0  0  0  0
 12  3  2  0  0  0  0
 13  3  2  0  0  0  0
 14  3  1  0  0  0  0
 15  4  1  0  0  0  0
 16 20  1  0  0  0  0
 17 19  2  0  0  0  0
 18  6  1  0  0  0  0
 19 21  1  0  0  0  0
 20 21  2  0  0  0  0
 21 25  1  0  0  0  0
 22  9  1  0  0  0  0
 23 15  1  0  0  0  0
 24 10  1  0  0  0  0
 25 23  1  0  0  0  0
  9  5  1  0  0  0  0
  7 10  2  0  0  0  0
 17 11  1  0  0  0  0
M  END
>  <Mol_ID> (273)
273

>  <Formula> (273)
C17H20N4O2S2

>  <MolWeight> (273)
376.4963

>  <COMPOUND_NAME> (273)
WAY-344727

>  <BAR_CODE_NO> (273)
2554964

$$$$
CL-403013
csChFnd80/06171916322D

 20 23  0  0  0  0  0  0  0  0999 V2000
    0.2972   -0.6426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4214    0.0160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9648   -0.6426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2972   -1.9357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4214    1.3126    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5421   -0.6426    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9648   -1.9357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0855    0.0160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8304   -2.5909    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4214   -2.5909    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4696    2.0643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3765    2.0643    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5421   -1.9357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0855   -2.5840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2062   -0.6426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0662    3.2953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6972    1.6643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7731    3.2953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2062   -1.9357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0179    4.3505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
 11 16  2  0  0  0  0
 11 17  1  0  0  0  0
 12 18  2  0  0  0  0
 14 19  1  0  0  0  0
 18 20  1  0  0  0  0
  7  9  1  0  0  0  0
 10 13  2  0  0  0  0
 15 19  1  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (274)
274

>  <Formula> (274)
C15H16N4S

>  <MolWeight> (274)
284.37934

>  <COMPOUND_NAME> (274)
CL-403013

>  <BAR_CODE_NO> (274)
3916254

$$$$
GI-560189
csChFnd80/06171916322D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.6688   -0.8132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8239   -0.1546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6688   -2.1304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6485   -0.8132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8653    1.2420    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9826   -0.8132    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4899   -2.7891    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.8239   -2.7891    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6485   -2.1304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8657    0.0040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6688    1.9799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9826   -2.1304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8657   -2.9684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6860    3.3972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5899    1.3006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5105    4.1351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7864    2.0178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7657    3.4558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  9 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  2  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
  7  9  1  0  0  0  0
  8 12  2  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (275)
275

>  <Formula> (275)
C14H13N3S

>  <MolWeight> (275)
255.33812

>  <COMPOUND_NAME> (275)
GI-560189

>  <BAR_CODE_NO> (275)
3918045

$$$$
WAY-311753-A
csChFnd80/06171916322D

 21 24  0  0  0  0  0  0  0  0999 V2000
   -0.3724   -0.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8069   -0.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3724   -1.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3414   -0.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8034   -1.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5138   -0.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0862   -1.7241    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3448   -1.7241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3345    0.7552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0552   -0.4862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5069   -1.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2276   -0.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0552   -1.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0517    1.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2241   -1.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7621    0.7448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0517    1.9828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4724    1.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7655    2.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4828    1.9759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1931    2.3862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 20 21  1  0  0  0  0
  5  7  1  0  0  0  0
 10 13  1  0  0  0  0
 12 15  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (276)
276

>  <Formula> (276)
C16H15N3OS

>  <MolWeight> (276)
297.3748

>  <COMPOUND_NAME> (276)
WAY-311753-A

>  <BAR_CODE_NO> (276)
3916239

$$$$
WAY-217268
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    6.5410   -0.0635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5980   -1.5270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4050   -1.5270    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9470   -3.2525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6465    2.6740    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1100    1.6170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7520   -0.0635    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.2280    1.6170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4925   -4.2645    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.0470   -3.2525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6095   -3.8035    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9645   -2.6110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6120   -0.8765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6450   -3.1800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -2.0145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9400    0.2890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6205   -0.2530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8175    2.1590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9970   -4.9420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5025    2.1590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5880    2.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6690   -6.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9340    3.2435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9 10  1  0  0  0  0
 10  2  2  0  0  0  0
 11  4  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 12  1  0  0  0  0
 15 14  2  0  0  0  0
 16 13  1  0  0  0  0
 17 15  1  0  0  0  0
 18  6  1  0  0  0  0
 19 14  1  0  0  0  0
 20  8  1  0  0  0  0
 21 16  1  0  0  0  0
 22 19  1  0  0  0  0
 23 21  1  0  0  0  0
  8  5  2  0  0  0  0
  4  9  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (277)
277

>  <Formula> (277)
C16H17N3O2S2

>  <MolWeight> (277)
347.45508

>  <COMPOUND_NAME> (277)
WAY-217268

>  <BAR_CODE_NO> (277)
3917517

$$$$
WAY-310587-A
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.5850   -0.6342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2092    0.0279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2736   -0.6273    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8678   -1.4963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0678    0.0106    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9264    0.8624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5633   -1.4756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1505   -2.0100    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3264    0.8486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6609    1.3589    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0747    1.1486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3702   -1.8135    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1505    1.1348    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0736   -1.2894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3092    1.9831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9839   -0.4100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8943   -1.6376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6505    2.5589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1574    2.3589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6943    0.1175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6150   -1.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4908   -0.2273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1770    0.3210    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  9 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 15 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 21  2  0  0  0  0
 20 22  2  0  0  0  0
 22 23  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (278)
278

>  <Formula> (278)
C15H13ClN4OS2

>  <MolWeight> (278)
364.87292

>  <COMPOUND_NAME> (278)
WAY-310587-A

>  <BAR_CODE_NO> (278)
3914821

$$$$
WAY-310586-A
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.6029   -0.6529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2443    0.0264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2833   -0.6426    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8925   -1.5357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1270    0.0126    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9511    0.8850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5764   -1.5150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1546   -2.0667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3925    0.8747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7063    1.3954    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0787    1.1816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4075   -1.8667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2408    1.1678    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1351   -1.3253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4029    2.0402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9764   -1.6840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0385   -0.4219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7270    2.6298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2753    2.4264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7178   -1.1426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7730    0.1195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5902   -0.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2971    0.3298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  9 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  1  0  0  0  0
 15 19  2  0  0  0  0
 16 20  2  0  0  0  0
 17 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  2  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (279)
279

>  <Formula> (279)
C16H16N4OS2

>  <MolWeight> (279)
344.45444

>  <COMPOUND_NAME> (279)
WAY-310586-A

>  <BAR_CODE_NO> (279)
3914820

$$$$
WAY-313237
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
    0.5034   -0.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9966    0.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3483   -0.5241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7586   -1.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8483    0.1310    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7379    0.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6138   -1.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0759   -1.7655    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1103    0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4276    1.3690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0655    1.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4276   -1.5448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9172    1.1448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0552   -0.9966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5448    0.6034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8828   -0.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8621   -1.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3517    0.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3690   -0.1897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5069    0.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4966   -0.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5276    1.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3207    0.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9103    0.6414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6828    0.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  9 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 15 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 21  2  0  0  0  0
 18 22  1  0  0  0  0
 20 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  2  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (280)
280

>  <Formula> (280)
C17H18N4O2S2

>  <MolWeight> (280)
374.48042

>  <COMPOUND_NAME> (280)
WAY-313237

>  <BAR_CODE_NO> (280)
3918081

$$$$
WAY-344287
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
   12.5792   -6.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7375   -5.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1542   -5.3292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0417   -4.4250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4417   -6.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9625   -4.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8750   -5.3292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0917   -6.2667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.0042   -5.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1417   -7.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2792   -5.3167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.8542   -6.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2917   -7.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0417   -4.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8667   -7.2917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.3250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000   -4.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1667   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2042   -2.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0792   -3.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2500   -2.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1167   -6.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5792   -8.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8625   -8.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2792   -2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4125   -0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1417   -9.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2917   -9.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  2  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  5  1  0  0  0  0
  8  2  1  0  0  0  0
  9  8  1  0  0  0  0
 10  1  1  0  0  0  0
 11  3  1  0  0  0  0
 12 13  1  0  0  0  0
 13 10  2  0  0  0  0
 14  6  1  0  0  0  0
 15  5  2  0  0  0  0
 16 12  2  0  0  0  0
 17 14  2  0  0  0  0
 18 14  1  0  0  0  0
 19 21  1  0  0  0  0
 20 17  1  0  0  0  0
 21 18  2  0  0  0  0
 22  9  1  0  0  0  0
 23 10  1  0  0  0  0
 24 13  1  0  0  0  0
 25 19  1  0  0  0  0
 26 25  1  0  0  0  0
 27 23  2  0  0  0  0
 28 27  1  0  0  0  0
 11 12  1  0  0  0  0
 24 28  2  0  0  0  0
  6  9  2  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (281)
281

>  <Formula> (281)
C20H16N4O3S

>  <MolWeight> (281)
392.43104

>  <COMPOUND_NAME> (281)
WAY-344287

>  <BAR_CODE_NO> (281)
2554490

$$$$
WAY-227614
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
    4.8952    2.0862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6778    2.7790    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8952    0.6975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4363    2.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4363    0.6975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1473    2.7835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1036    0.0211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4022    2.0547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4755    3.4824    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6092    2.7610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6092    4.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9583    3.4824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3286    4.8968    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2265    2.7790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2265    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7830    2.0547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7830    4.8712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9900    2.7610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9900    4.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  2  0  0  0  0
  8  6  1  0  0  0  0
  9  2  1  0  0  0  0
 10  8  1  0  0  0  0
 11 10  1  0  0  0  0
 12  2  1  0  0  0  0
 13 11  1  0  0  0  0
 14  4  1  0  0  0  0
 15  5  1  0  0  0  0
 16 10  2  0  0  0  0
 17 11  2  0  0  0  0
 18 14  2  0  0  0  0
 19 15  2  0  0  0  0
 20 16  1  0  0  0  0
 21 20  2  0  0  0  0
  5  4  2  0  0  0  0
 19 18  1  0  0  0  0
 21 17  1  0  0  0  0
M  END
>  <Mol_ID> (282)
282

>  <Formula> (282)
C17H16FNO2

>  <MolWeight> (282)
285.3128432

>  <COMPOUND_NAME> (282)
WAY-227614

>  <BAR_CODE_NO> (282)
3914670

$$$$
WAY-311156
csChFnd80/06171916322D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -0.9828    0.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9793   -0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0828   -0.2793    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.8793    1.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8793    0.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0966   -1.1897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9172    0.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1966   -1.3552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7552    2.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7793    1.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8793    0.0621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2310   -1.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8034   -0.4379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2448    1.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7793    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6690    0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8345   -1.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3448    1.2207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7345   -0.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9690   -1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966   -1.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  2  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
  9 10  2  0  0  0  0
 16 18  2  0  0  0  0
M  END
>  <Mol_ID> (283)
283

>  <Formula> (283)
C16H22N2O3

>  <MolWeight> (283)
290.35748

>  <COMPOUND_NAME> (283)
WAY-311156

>  <BAR_CODE_NO> (283)
3915515

$$$$
WAY-114273
csChFnd80/06171916322D

 20 21  0  0  0  0  0  0  0  0999 V2000
    7.4033    2.0980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6253    1.3848    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8331    2.0980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8331    3.4968    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4033    3.4968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1883    1.4060    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.9801    2.0980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5715    3.5040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0272    1.4060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    1.4060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9801    3.5040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7794    4.2031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5715    2.0980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6253    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1883    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3564    4.2031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3763    1.7802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7264    0.1978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.8429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9820    5.5596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8 12  2  0  0  0  0
  9  3  1  0  0  0  0
 10  7  1  0  0  0  0
 11  7  2  0  0  0  0
 12 11  1  0  0  0  0
 13 10  2  0  0  0  0
 14  2  1  0  0  0  0
 15  6  1  0  0  0  0
 16  8  1  0  0  0  0
 17  9  1  0  0  0  0
 18  9  1  0  0  0  0
 19 16  1  0  0  0  0
 20 16  1  0  0  0  0
  3  4  2  0  0  0  0
 13  8  1  0  0  0  0
M  END
>  <Mol_ID> (284)
284

>  <Formula> (284)
C17H24N2O

>  <MolWeight> (284)
272.38526

>  <COMPOUND_NAME> (284)
WAY-114273

>  <BAR_CODE_NO> (284)
3916694

$$$$
GI-523734
csChFnd80/06171916322D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -0.8711    0.0796    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.3602    1.5329    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2900   -1.3695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3602   -0.8293    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3831    0.4104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1601    1.5329    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2732    2.7433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8145   -1.7297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2010   -2.4920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6292    0.0293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7726    2.6511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7204    4.1840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2542   -3.2249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6701   -3.9830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1412   -0.4900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1821   -4.3641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  8  2  0  0  0  0
  3  9  1  0  0  0  0
  4 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  2  0  0  0  0
 10 15  1  0  0  0  0
 13 16  2  0  0  0  0
  6 10  2  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <Mol_ID> (285)
285

>  <Formula> (285)
C11H13N3OS

>  <MolWeight> (285)
235.30542

>  <COMPOUND_NAME> (285)
GI-523734

>  <BAR_CODE_NO> (285)
3916761

$$$$
WAY-310786-A
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.0606    0.6315    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9394    0.6309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2490    1.5817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4404    2.1700    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3690    1.5827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0634    1.2236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0143    1.5332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8561    0.2453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3199    1.8923    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7578    0.8645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5997   -0.4233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5505   -0.1137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2941   -0.7824    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7067   -1.9012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7013   -1.7972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1086   -0.8839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5213   -0.0746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5267   -0.1785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1194   -1.0918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2886   -2.6066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2832   -2.5027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  2  0  0  0  0
  1  2  1  0  0  0  0
  5  9  1  0  0  0  0
  2 18  1  0  0  0  0
  2  3  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 11 12  2  0  0  0  0
 17 18  1  0  0  0  0
 15 16  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 20  1  0  0  0  0
 16 17  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (286)
286

>  <Formula> (286)
C16H14N2O2S

>  <MolWeight> (286)
298.35956

>  <COMPOUND_NAME> (286)
WAY-310786-A

>  <BAR_CODE_NO> (286)
3915059

$$$$
WAY-311449-A
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    0.0249   -1.6288    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7393   -1.2164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4538   -1.6288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1682   -1.2164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1682   -0.3914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4538    0.0212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7393   -0.3914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8827    0.0212    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.6721    0.8072    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0598   -0.6400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5497    0.1998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7330   -1.1580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9620   -0.3033    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8456   -0.2570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1625   -1.0830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4750   -1.6398    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1778    0.3185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9347    0.7396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1778    1.1606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6640    1.1606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9071    0.7396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6640    0.3185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9406    1.6398    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5497    1.6398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  2  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 12  1  0  0  0  0
  1 12  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (287)
287

>  <Formula> (287)
C16H15N3O3S2

>  <MolWeight> (287)
361.4386

>  <COMPOUND_NAME> (287)
WAY-311449-A

>  <BAR_CODE_NO> (287)
3915836

$$$$
WAY-311045
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -1.6751    1.4174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0131    1.4174    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6786    0.4553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5062    1.9036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0027    0.4587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6731    2.0898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8441   -0.0137    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5062   -0.0240    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3407    1.4174    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5062    2.8656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8214   -0.0275    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042    1.8380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3407    0.4553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5062   -0.9861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8042   -1.0033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2904    2.5139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1682   -0.0275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6283   -1.4895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4628   -1.0068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6283   -2.4516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2973   -1.4895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4559   -2.9309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2973   -2.4516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1249   -2.9309    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  2  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
  5  7  2  0  0  0  0
  9 13  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (288)
288

>  <Formula> (288)
C16H17ClN4O2S

>  <MolWeight> (288)
364.84978

>  <COMPOUND_NAME> (288)
WAY-311045

>  <BAR_CODE_NO> (288)
3915384

$$$$
WAY-234064
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   10.9300   -0.1620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9300   -2.1860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8225    0.4150    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1790    0.8095    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8225   -2.7930    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4485   -2.1860    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4485   -0.1620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1790   -3.1675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0065   -1.1840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4295   -4.7060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7180    0.7790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3975   -6.4365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1790   -5.1715    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -1.1840    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.1790    2.7930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7180   -3.1675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3990   -8.1770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4135   -6.4060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4230   -8.1770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3870   -9.9075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3915   -8.1365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3630   -9.8775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  7  1  0  0  0  0
  7  4  1  0  0  0  0
  8  2  1  0  0  0  0
  9  3  2  0  0  0  0
 10  5  1  0  0  0  0
 11  7  2  0  0  0  0
 12 10  1  0  0  0  0
 13  8  2  0  0  0  0
 14  9  1  0  0  0  0
 15  4  1  0  0  0  0
 16  6  1  0  0  0  0
 17 12  2  0  0  0  0
 18 12  1  0  0  0  0
 19 17  1  0  0  0  0
 20 17  1  0  0  0  0
 21 18  2  0  0  0  0
 22 21  1  0  0  0  0
  9  5  1  0  0  0  0
  8  6  1  0  0  0  0
 20 22  2  0  0  0  0
M  END
>  <Mol_ID> (289)
289

>  <Formula> (289)
C15H15ClN4O2

>  <MolWeight> (289)
318.7582

>  <COMPOUND_NAME> (289)
WAY-234064

>  <BAR_CODE_NO> (289)
3915361

$$$$
WAY-312802
csChFnd80/06171916322D

 32 34  0  0  0  0  0  0  0  0999 V2000
    3.7291   -0.1930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1704   -0.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7291   -0.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7291    0.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3567   -0.1930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8947    0.2656    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8947   -0.6758    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2740    0.2656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0498    0.6794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0326   -0.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4050    0.6794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4394   -0.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1773    0.2104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5670    0.2035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3187   -0.2827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2808    0.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2296   -0.2827    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2744    0.6414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5365    0.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1985    0.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4710    0.6518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4503   -0.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0261    0.6518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0537   -0.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3123    0.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8951    0.1759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1744   -0.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7330   -0.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8951   -0.7862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3330   -0.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7330    0.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7330   -0.8758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  2  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
 28 32  1  0  0  0  0
 12 13  1  0  0  0  0
 18 19  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (290)
290

>  <Formula> (290)
C26H30N4O2

>  <MolWeight> (290)
430.542

>  <COMPOUND_NAME> (290)
WAY-312802

>  <BAR_CODE_NO> (290)
3917513

$$$$
WAY-311706
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
    0.0172    1.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0172    1.9655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6034    0.9069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6448    0.9069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6207    2.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5828    2.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6034    0.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6448    0.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6207    3.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5828    3.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2276   -0.1724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0172   -0.1931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2655   -0.1931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0172    3.3655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8345    0.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2276   -0.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2655   -0.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4552   -0.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8345   -1.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6655   -1.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8655   -1.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4552   -0.8724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6655   -1.9448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8655   -1.9448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2655   -2.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2655   -2.9931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6724   -3.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  1  0  0  0  0
 13 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  2  0  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  2  0  0  0  0
 23 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
  8 12  1  0  0  0  0
 10 14  1  0  0  0  0
 19 22  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (291)
291

>  <Formula> (291)
C18H24N6O3

>  <MolWeight> (291)
372.42156

>  <COMPOUND_NAME> (291)
WAY-311706

>  <BAR_CODE_NO> (291)
3916177

$$$$
WAY-310600
csChFnd80/06171916322D

 23 26  0  0  0  0  0  0  0  0999 V2000
   -0.2448   -0.1517    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.1552    0.4483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9448    0.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4655   -0.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0759   -0.7897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8759    0.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2448    1.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9448    0.8103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5655   -0.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0138   -1.3724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1241   -1.1517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2759    1.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1966   -0.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0034    1.7103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5655    1.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2034    0.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3448   -1.9897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0448   -1.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0138    0.9690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9345   -0.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2034    0.7897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3345    0.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0552    0.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  8  2  0  0  0  0
  3  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  2  0  0  0  0
  6 12  1  0  0  0  0
  6 13  2  0  0  0  0
  7 14  2  0  0  0  0
  8 15  1  0  0  0  0
  9 16  2  0  0  0  0
 10 17  1  0  0  0  0
 11 18  1  0  0  0  0
 12 19  2  0  0  0  0
 13 20  1  0  0  0  0
 15 21  2  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
  7  8  1  0  0  0  0
 16 21  1  0  0  0  0
 17 18  2  0  0  0  0
 20 22  2  0  0  0  0
M  END
>  <Mol_ID> (292)
292

>  <Formula> (292)
C18H15N3O2

>  <MolWeight> (292)
305.3306

>  <COMPOUND_NAME> (292)
WAY-310600

>  <BAR_CODE_NO> (292)
3914836

$$$$
WAY-311643
csChFnd80/06171916322D

 30 32  0  0  0  0  0  0  0  0999 V2000
    3.3517   -0.6101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8690   -1.4101    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9310    0.1588    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2517   -0.6412    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9690   -1.3619    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4069    0.9105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7207    0.1278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0517   -1.3274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9897   -0.4515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9207   -2.2757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2897    0.9105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9897    1.7278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6517    0.1243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5897   -2.0895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6310   -0.5274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3103   -2.0619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2586   -0.5239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7414   -1.2757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6414   -1.2757    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0966   -0.4895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9966   -0.5032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6483    0.3105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4793    0.2968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3931    0.3105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0414    1.0761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8414    1.0761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5103    1.8485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3966    1.8485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8483    2.6588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4103    3.4381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  2  0  0  0  0
  8 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  2  0  0  0  0
 26 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
  7 11  2  0  0  0  0
 17 18  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (293)
293

>  <Formula> (293)
C21H22N4O4S

>  <MolWeight> (293)
426.48878

>  <COMPOUND_NAME> (293)
WAY-311643

>  <BAR_CODE_NO> (293)
3916087

$$$$
WAY-345262
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
   13.1167  -10.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5167  -11.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4667  -12.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4167  -11.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8292  -10.4375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.8917   -9.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6250   -5.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3125   -3.4917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.7542  -12.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2792   -6.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3292   -5.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6667   -4.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -12.5042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3667   -8.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3167  -13.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2292  -12.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2667   -4.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5792   -6.8625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6125   -3.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6375   -8.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1417   -7.1625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0792   -8.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1292  -14.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0792  -13.4792    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.6917   -6.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3667   -4.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2542   -2.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8875  -14.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3917   -6.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7292   -5.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7 10  1  0  0  0  0
  8 19  2  0  0  0  0
  9  2  1  0  0  0  0
 10 18  1  0  0  0  0
 11  7  1  0  0  0  0
 12 11  1  0  0  0  0
 13  9  3  0  0  0  0
 14  6  1  0  0  0  0
 15  3  1  0  0  0  0
 16  4  1  0  0  0  0
 17  7  2  0  0  0  0
 18 22  1  0  0  0  0
 19 17  1  0  0  0  0
 20 10  2  0  0  0  0
 21 14  2  0  0  0  0
 22 14  1  0  0  0  0
 23 15  1  0  0  0  0
 24 16  1  0  0  0  0
 25 11  2  0  0  0  0
 26 12  2  0  0  0  0
 27 19  1  0  0  0  0
 28 24  1  0  0  0  0
 29 25  1  0  0  0  0
 30 29  2  0  0  0  0
  3  4  2  0  0  0  0
 23 24  1  0  0  0  0
 12  8  1  0  0  0  0
 26 30  1  0  0  0  0
M  END
>  <Mol_ID> (294)
294

>  <Formula> (294)
C23H21N3O3S

>  <MolWeight> (294)
419.49614

>  <COMPOUND_NAME> (294)
WAY-345262

>  <BAR_CODE_NO> (294)
2555492

$$$$
WAY-118264
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    2.4450   -0.3955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5381   -0.0920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4450   -1.3230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2519    0.0839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0105   -0.8472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2071    0.8183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5381   -1.6230    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.2519   -1.8058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0553   -0.3955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0519   -0.8472    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8864    1.6977    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0553   -1.3230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3998   -0.0437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3585   -0.0437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0519    0.7701    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8171    0.7701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7654    0.7701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2274    1.5735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2274   -0.0437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1792    1.5735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1792   -0.0437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6343    0.7701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  3  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
  5  7  1  0  0  0  0
  9 12  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (295)
295

>  <Formula> (295)
C18H18N2OS

>  <MolWeight> (295)
310.41332

>  <COMPOUND_NAME> (295)
WAY-118264

>  <BAR_CODE_NO> (295)
3918018

$$$$
WAY-115880
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -1.8515    0.6899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1722    1.9623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4998    0.5347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8619   -0.5998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0239    2.8899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6860    2.7899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1830    1.8243    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5105   -0.9032    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4964   -0.3584    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3584   -2.2308    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0239    4.5864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8343    4.4864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9692   -0.9032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3964    5.3381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7140   -2.1446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6795    0.3761    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0278   -3.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1657   -2.1205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7761   -4.6964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9416   -3.4067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2381   -4.6757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  8 13  1  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
  5  7  1  0  0  0  0
 12 14  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (296)
296

>  <Formula> (296)
C16H22N2O2S

>  <MolWeight> (296)
306.42308

>  <COMPOUND_NAME> (296)
WAY-115880

>  <BAR_CODE_NO> (296)
3916066

$$$$
WL-103296
csChFnd80/06171916322D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -1.7660    0.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5350    0.9193    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9798    1.1158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7660   -1.0014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4409    0.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1971    0.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9798   -1.7048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4754    0.8917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4409   -0.5497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1971   -1.0014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3892    0.4124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4271    0.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3892   -0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4029    0.5020    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4547   -1.1048    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  2  0  0  0  0
  7 10  2  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (297)
297

>  <Formula> (297)
C9H9N5O

>  <MolWeight> (297)
203.20066

>  <COMPOUND_NAME> (297)
WL-103296

>  <BAR_CODE_NO> (297)
3918014

$$$$
WL-127501
csChFnd80/06171916322D

 20 21  0  0  0  0  0  0  0  0999 V2000
    0.5678    0.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.5721    1.5430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7585   -0.7585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9244   -0.7845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8680    2.2885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7498    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1888   -0.1084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9145   -2.2495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2290   -0.0303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9244   -2.3275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2203    1.5083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8680    3.8271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1108    1.7467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9535    3.8704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2116   -1.2526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4315   -2.5702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5639   -0.7975    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9201   -3.8704    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1336    2.9343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5639    2.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  2  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 17  1  0  0  0  0
 10 18  3  0  0  0  0
 13 19  1  0  0  0  0
 19 20  1  0  0  0  0
  9 11  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <Mol_ID> (298)
298

>  <Formula> (298)
C14H14N2O4

>  <MolWeight> (298)
274.27196

>  <COMPOUND_NAME> (298)
WL-127501

>  <BAR_CODE_NO> (298)
3917404

$$$$
WL-390968
csChFnd80/06171916322D

 26 27  0  0  0  0  0  0  0  0999 V2000
   -1.4510    0.1572    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.0919   -1.1004    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.2249    1.4389    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.2721    0.1572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7545   -1.1790    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.3603   -2.5514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7485    1.4571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5961    2.7569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0822   -1.1790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9915    1.4631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5163    0.1451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4583   -2.6844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2237   -1.6929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9468   -3.8452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1451   -2.5091    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4800    2.7811    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5756    3.9177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0726    2.9564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6118   -1.1608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5695    1.4752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7074   -4.8488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8984    5.2297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3555    0.1632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2031   -6.2938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0048    6.2938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8911    0.1753    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  2  0  0  0  0
  7 16  2  0  0  0  0
  8 17  1  0  0  0  0
  8 18  2  0  0  0  0
  9 19  1  0  0  0  0
 10 20  2  0  0  0  0
 14 21  1  0  0  0  0
 17 22  1  0  0  0  0
 19 23  2  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
 23 26  1  0  0  0  0
  7 11  1  0  0  0  0
 20 23  1  0  0  0  0
M  END
>  <Mol_ID> (299)
299

>  <Formula> (299)
C19H23BrO6

>  <MolWeight> (299)
427.28632

>  <COMPOUND_NAME> (299)
WL-390968

>  <BAR_CODE_NO> (299)
3917665

$$$$
CL-241969
csChFnd80/06171916322D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -0.9136   -0.2722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2239   -0.0446    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9136   -1.0032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5550    0.0968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2071   -0.6343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0071    0.6450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2239   -1.2239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5550   -1.3619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1826   -0.2722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9381   -0.6343    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7174    0.7968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1826   -1.0032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9450    1.4968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2071    0.2554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6554    1.6450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9278    0.4071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1450    1.1071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  8 12  2  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
  5  7  1  0  0  0  0
  9 12  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (300)
300

>  <Formula> (300)
C14H11NO2

>  <MolWeight> (300)
225.24264

>  <COMPOUND_NAME> (300)
CL-241969

>  <BAR_CODE_NO> (300)
3899238

$$$$
CL-271149
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.8940   -0.0766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3302    0.6234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8940   -1.4766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1250    0.6234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3164    2.0303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5371   -0.0766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3302   -2.1766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1043   -2.1766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1250    2.0303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9009    2.7441    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5371    2.7303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7474    0.6234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5371   -1.4766    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3302   -3.5697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1043   -3.5766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3423    2.7234    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7474    2.0303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8802   -4.2766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9577    2.7234    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  2  0  0  0  0
  9 16  2  0  0  0  0
 11 17  1  0  0  0  0
 14 18  2  0  0  0  0
 17 19  1  0  0  0  0
  9 10  1  0  0  0  0
 12 17  2  0  0  0  0
 15 18  1  0  0  0  0
M  END
>  <Mol_ID> (301)
301

>  <Formula> (301)
C15H10O4

>  <MolWeight> (301)
254.2375

>  <COMPOUND_NAME> (301)
CL-271149

>  <BAR_CODE_NO> (301)
3898220

$$$$
CL-394221
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -1.4117   -0.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3220    0.2076    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4117   -1.2820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4255    0.4594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3332   -0.6648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0780    1.3318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3220   -1.6441    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4255   -1.8613    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4048   -0.1200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4634    1.6214    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4745   -0.5751    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2021    1.5869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4048   -1.3165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4634   -3.0234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9814    0.4594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1090   -1.4993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5642    2.6387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3875   -1.9337    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1435    0.5318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2711   -1.4269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6539    2.8938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7780   -0.4269    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8539    4.1628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 13 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 19 22  1  0  0  0  0
 21 23  1  0  0  0  0
  5  7  2  0  0  0  0
  9 13  1  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (302)
302

>  <Formula> (302)
C15H24N6O2

>  <MolWeight> (302)
320.39006

>  <COMPOUND_NAME> (302)
CL-394221

>  <BAR_CODE_NO> (302)
3898902

$$$$
CL-401096
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
    0.4555   -0.1242    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4757   -0.5449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2658   -0.5932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5969    0.8068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2860    0.0171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7757   -1.4760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9865    0.1171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3969   -1.5656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5865    0.9654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0929    1.5344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0550   -0.5760    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2860    0.9965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7446   -1.4760    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1929   -2.2760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9762    0.0171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1243    1.7965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9860   -0.2656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3343   -2.2932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5451    0.8171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1243    1.7171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1653    0.6551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6860   -0.9449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5244    0.7171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1136    0.9654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6343   -0.6346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9658   -0.1656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1141    1.5068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8343    0.3068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7 15  1  0  0  0  0
  9 16  1  0  0  0  0
 11 17  1  0  0  0  0
 13 18  1  0  0  0  0
 15 19  2  0  0  0  0
 16 20  2  0  0  0  0
 17 21  1  0  0  0  0
 17 22  2  0  0  0  0
 19 23  1  0  0  0  0
 21 24  2  0  0  0  0
 22 25  1  0  0  0  0
 23 26  1  0  0  0  0
 23 27  2  0  0  0  0
 24 28  1  0  0  0  0
  7  9  2  0  0  0  0
 11 13  1  0  0  0  0
 19 20  1  0  0  0  0
 25 28  2  0  0  0  0
M  END
>  <Mol_ID> (303)
303

>  <Formula> (303)
C20H15N3O5

>  <MolWeight> (303)
377.3502

>  <COMPOUND_NAME> (303)
CL-401096

>  <BAR_CODE_NO> (303)
3898164

$$$$
CL-403078
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
    0.8122    0.5431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7339    0.5431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5656    1.8788    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5656   -0.7975    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5167    1.8788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5167   -0.7975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1117    1.8788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1117   -0.7975    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0432    1.8788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7339    3.2145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0677   -0.7975    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7339   -2.1381    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8652    0.5431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8652    3.2145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4572   -1.5754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7839   -2.3240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8163    0.5431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8163    3.2145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8407   -2.1136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4113    0.5431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4113    3.2145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3428    0.5431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3672    3.2145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4015   -2.0941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1647    1.8788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1158    1.8788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1647   -3.3955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  2  0  0  0  0
  7 14  1  0  0  0  0
  8 15  2  0  0  0  0
  8 16  2  0  0  0  0
  9 17  2  0  0  0  0
  9 18  1  0  0  0  0
 11 19  1  0  0  0  0
 13 20  1  0  0  0  0
 14 21  2  0  0  0  0
 17 22  1  0  0  0  0
 18 23  2  0  0  0  0
 19 24  1  0  0  0  0
 20 25  2  0  0  0  0
 22 26  2  0  0  0  0
 24 27  2  0  0  0  0
  8 13  1  0  0  0  0
 11 17  1  0  0  0  0
 21 25  1  0  0  0  0
 23 26  1  0  0  0  0
M  END
>  <Mol_ID> (304)
304

>  <Formula> (304)
C19H15N3O4S

>  <MolWeight> (304)
381.4051

>  <COMPOUND_NAME> (304)
CL-403078

>  <BAR_CODE_NO> (304)
3898344

$$$$
CL-414430
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
    0.1243    1.0941    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.2247    0.3419    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4671    0.3419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3916    2.5985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5612    1.0941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1749   -1.1874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5550    1.4112    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6225   -1.1874    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9396    2.7850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8605    0.3046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4866   -1.9893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0657    1.1687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6856    4.1278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8605   -1.2309    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0106    2.3499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6127   -0.2860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1598   -2.0142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5088    2.1136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1544   -0.5222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1598   -3.5559    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4963   -1.2309    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0994    0.6590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4164    3.3383    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -6.4963   -4.3081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8329   -1.9893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8329   -3.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  9 13  2  0  0  0  0
 10 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 17 21  2  0  0  0  0
 18 22  1  0  0  0  0
 18 23  1  0  0  0  0
 20 24  2  0  0  0  0
 21 25  1  0  0  0  0
 24 26  1  0  0  0  0
  7  9  1  0  0  0  0
 11 14  1  0  0  0  0
 19 22  2  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <Mol_ID> (305)
305

>  <Formula> (305)
C18H18ClN5O2

>  <MolWeight> (305)
371.82082

>  <COMPOUND_NAME> (305)
CL-414430

>  <BAR_CODE_NO> (305)
3897947

$$$$
CL-416406
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -0.7320    0.8959    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7320    0.1476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3699    1.2649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0147    1.1166    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3699   -0.2386    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0147   -0.0903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0147    0.8959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3699    2.0097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4094    0.5235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0147    0.1476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1182    2.0097    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6251    2.0097    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3699    2.7580    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.1508    0.5235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6596   -0.2386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5232   -0.1386    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5232    1.1649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3044    0.1476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6596   -0.9869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2646   -0.1386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9492   -0.2386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3044   -1.3593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6404   -0.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9492   -0.9869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3853   -0.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7577   -1.4213    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5025   -1.4213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5404   -2.1213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7404   -2.1213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1335   -2.5455    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  2  0  0  0  0
 20 23  1  0  0  0  0
 21 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  2  0  0  0  0
 28 30  2  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
 22 24  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (306)
306

>  <Formula> (306)
C20H17F3N6O

>  <MolWeight> (306)
414.3837896

>  <COMPOUND_NAME> (306)
CL-416406

>  <BAR_CODE_NO> (306)
3899052

$$$$
CL-417231
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -1.2506    0.0570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4506   -0.7602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3644   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9334    1.1570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6597   -0.4844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7644   -1.8706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6817   -1.3223    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1610    0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7368    1.9812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1804    1.4432    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9701    0.6156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4597   -1.3050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8817   -2.1499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8472    1.7018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0839    0.8950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5666   -1.0257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1920   -3.2533    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6541    2.5260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8839    0.0743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9977    0.3536    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.8045   -0.4602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3114    1.4605    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  8 14  2  0  0  0  0
 11 15  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
  7 13  1  0  0  0  0
  9 14  1  0  0  0  0
 16 19  1  0  0  0  0
M  END
>  <Mol_ID> (307)
307

>  <Formula> (307)
C15H9NO6

>  <MolWeight> (307)
299.23506

>  <COMPOUND_NAME> (307)
CL-417231

>  <BAR_CODE_NO> (307)
3898456

$$$$
CL-418233
csChFnd80/06171916322D

 33 37  0  0  0  0  0  0  0  0999 V2000
    2.9278   -1.2068    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1520    0.0769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4275   -1.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9466   -2.3414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8758    1.3907    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6913   -0.2643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1514    0.1370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2034   -2.4605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5644   -1.7589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3755    1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6442   -2.0434    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.8569   -3.1216    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.7445   -3.8595    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7194   -2.5347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0993    2.7346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0332   -1.8109    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6893   -4.0344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4619    4.0924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5877    2.9212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3169   -2.5868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0632   -0.3112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5563    5.1182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8701    4.3944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6307   -1.8629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3770    0.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6608   -0.3632    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9746    0.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2583   -0.4153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0046    1.8603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5721    0.3086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3184    2.5841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6022    1.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9160    2.5321    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 16 21  1  0  0  0  0
 18 22  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
 29 31  2  0  0  0  0
 30 32  2  0  0  0  0
 32 33  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
 22 23  2  0  0  0  0
 25 26  1  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <Mol_ID> (308)
308

>  <Formula> (308)
C22H17F4N5O2

>  <MolWeight> (308)
459.3962928

>  <COMPOUND_NAME> (308)
CL-418233

>  <BAR_CODE_NO> (308)
3898136

$$$$
CL-421423
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -1.0138   -0.1823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1897   -0.1823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7310    0.2315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2690   -0.9616    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0690   -0.9616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3069    0.4902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7310    1.0557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4414   -0.1823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6000   -1.4478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8586   -1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1310    0.4039    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0276    1.2384    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4414    1.4695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0138    1.4833    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.1621    0.2315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4621   -0.3478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1621    1.0557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2862   -0.4340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7724    0.2315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7724   -1.1064    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5621   -0.0236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5621   -0.8443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  2  0  0  0  0
 11 16  1  0  0  0  0
 13 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
  5  9  1  0  0  0  0
 15 17  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (309)
309

>  <Formula> (309)
C16H13ClN2O3

>  <MolWeight> (309)
316.73902

>  <COMPOUND_NAME> (309)
CL-421423

>  <BAR_CODE_NO> (309)
3898960

$$$$
CL-425381
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -0.9519   -1.5180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9519   -2.4146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2174   -1.0939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7070   -1.0939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2174   -2.8594    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7070   -2.8594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5309   -1.5180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4657   -1.5180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5309   -2.4146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4657   -2.4146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3274   -1.0939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2105   -1.0628    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.3274   -2.8594    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3274   -0.1870    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0516   -1.5180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0723    0.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5688    0.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0723    1.1027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5688    1.1027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3274    1.5475    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3274    2.4130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5688    2.8475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1967    2.4234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5688    3.7234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9519    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1760    4.1682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9519    3.7441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  2  0  0  0  0
 11 14  1  0  0  0  0
 11 15  2  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
 19 20  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <Mol_ID> (310)
310

>  <Formula> (310)
C21H19BrN2O3

>  <MolWeight> (310)
427.29116

>  <COMPOUND_NAME> (310)
CL-425381

>  <BAR_CODE_NO> (310)
3897540

$$$$
CL-45611
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
    2.4136   -0.0826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1757   -0.3343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7481   -0.6929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4136    0.6657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5757    0.2657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4895   -1.0584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0757   -0.3032    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1757    0.8933    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3895    0.2071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2653   -1.1205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0757    0.4795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4101   -0.6929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7136   -0.4826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4101    0.8657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2623   -0.3032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2623    0.4795    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9347    0.8657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6036    0.4795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9347    1.6416    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2726    0.8657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6036   -0.3032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9485    0.4795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2726   -0.6929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9485   -0.3032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6071    0.8657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2726   -1.4584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6071   -0.6929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6071    1.6278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9243   -1.8412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2692   -0.3205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  9 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 18 21  2  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 23 26  1  0  0  0  0
 24 27  1  0  0  0  0
 25 28  1  0  0  0  0
 26 29  1  0  0  0  0
 27 30  1  0  0  0  0
  5  8  1  0  0  0  0
 10 13  1  0  0  0  0
 15 16  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (311)
311

>  <Formula> (311)
C23H27N3O4

>  <MolWeight> (311)
409.47818

>  <COMPOUND_NAME> (311)
CL-45611

>  <BAR_CODE_NO> (311)
3897284

$$$$
GI-523479
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.1177    0.1550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1340   -0.6278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9419    0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5512    0.6412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5246   -1.1071    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9547   -0.6243    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1936   -0.6278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4936    0.7688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2236    0.1515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5512    1.4688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5108   -1.9312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0005   -0.8002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2936    0.5895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167    0.3860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2650    1.8757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1660    1.8757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2064   -2.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5522   -0.1864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9788    1.4653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167   -3.1692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6961    1.8757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  2  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
 15 19  1  0  0  0  0
 17 20  2  0  0  0  0
 19 21  1  0  0  0  0
  5  7  1  0  0  0  0
  6  9  1  0  0  0  0
 13 18  2  0  0  0  0
M  END
>  <Mol_ID> (312)
312

>  <Formula> (312)
C16H17N3O2

>  <MolWeight> (312)
283.32508

>  <COMPOUND_NAME> (312)
GI-523479

>  <BAR_CODE_NO> (312)
3899226

$$$$
GI-531449
csChFnd80/06171916322D

 22 25  0  0  0  0  0  0  0  0999 V2000
    0.5286    0.3612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5286    1.3922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3286   -0.5009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3783   -0.1561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2852    1.3922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2803    2.2405    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9217   -1.5975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4561   -0.5009    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2852    0.3612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1956    1.9094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3768    2.2405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6423   -2.5216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2370   -1.7871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1561    0.8784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1956   -0.1561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1025    1.3922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1906    3.2267    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2182   -3.6319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6611   -2.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1025    0.3612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2611    1.8163    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.0768   -3.8216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  2  0  0  0  0
 11 17  2  0  0  0  0
 12 18  2  0  0  0  0
 13 19  1  0  0  0  0
 15 20  2  0  0  0  0
 16 21  1  0  0  0  0
 18 22  1  0  0  0  0
  5  9  2  0  0  0  0
 11 14  1  0  0  0  0
 16 20  1  0  0  0  0
 19 22  2  0  0  0  0
M  END
>  <Mol_ID> (313)
313

>  <Formula> (313)
C17H11BrN2O2

>  <MolWeight> (313)
355.18544

>  <COMPOUND_NAME> (313)
GI-531449

>  <BAR_CODE_NO> (313)
3899011

$$$$
GI-551650
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -3.8495    0.0879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3708    1.5584    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -5.3835    0.0977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0728   -1.2360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9687    0.9233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6116    2.4670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5989    2.8920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8671    1.5633    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1554   -1.2311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8495   -2.5696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7230    1.8271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6116    4.0059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3884   -2.5696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0777   -3.9033    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.6839    1.1920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8793    3.3513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9297    2.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8403   -0.3371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3366    1.4656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2472   -0.9673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4978   -0.0684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5872    2.3644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8999   -0.6986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9893    1.7294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1554    0.1954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  9 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  2  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  2  0  0  0  0
  6  8  1  0  0  0  0
 10 13  1  0  0  0  0
 20 21  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (314)
314

>  <Formula> (314)
C20H14BrNO3

>  <MolWeight> (314)
396.23406

>  <COMPOUND_NAME> (314)
GI-551650

>  <BAR_CODE_NO> (314)
3897956

$$$$
GI-566989
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -0.0304    0.3082    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.0304   -1.2456    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.3151    1.0503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3411    1.1111    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3107   -0.4601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0304   -2.7994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3151    2.5607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6301    0.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6388    0.3255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6388   -1.2456    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.3107   -3.5850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3324   -3.5850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6301    3.3159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9582    1.0503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6388   -2.7994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9973   -0.4601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9582    2.5911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3557   -1.2456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2733    3.4070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  2  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
 13 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
  9 10  1  0  0  0  0
 11 15  1  0  0  0  0
 14 17  1  0  0  0  0
M  END
>  <Mol_ID> (315)
315

>  <Formula> (315)
C16H20O3

>  <MolWeight> (315)
260.3282

>  <COMPOUND_NAME> (315)
GI-566989

>  <BAR_CODE_NO> (315)
3897856

$$$$
GI-574354
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.2139   -1.2471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8930   -1.2954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7277   -0.2609    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8139   -2.1885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4895   -0.3575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4102   -2.2850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8519   -0.4161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2967   -3.1747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6240   -0.4023    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9861    0.6115    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8068   -3.2230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5381    0.4529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2622   -1.4333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0826    0.6253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1243    1.4874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6450    0.2943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4585    1.6391    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2309    0.8943    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8105    2.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3346    1.1736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2240    2.5012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3274    2.0288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9139    2.2081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  7 13  2  0  0  0  0
  9 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  2  0  0  0  0
 14 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
 19 23  1  0  0  0  0
  8 11  1  0  0  0  0
 20 23  2  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (316)
316

>  <Formula> (316)
C17H13N3O2S

>  <MolWeight> (316)
323.36902

>  <COMPOUND_NAME> (316)
GI-574354

>  <BAR_CODE_NO> (316)
3897435

$$$$
WAY-113826
csChFnd80/06171916322D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -4.5630  -10.0275    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4835  -10.0620    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6425  -10.0275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5750   -7.9480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5750  -12.1070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.9205   -8.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8810  -10.0275    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4210   -8.2600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0000   -8.2600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5285   -6.2385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6590  -11.8300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6590   -8.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8015  -10.0275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4490   -6.4580    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -9.7385  -11.8300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7385   -8.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8810   -6.4580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9445   -4.1705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5825   -4.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1420   -3.1885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  1  2  0  0  0  0
  6  7  1  0  0  0  0
  7 13  1  0  0  0  0
  8  2  1  0  0  0  0
  9  6  2  0  0  0  0
 10 14  1  0  0  0  0
 11  3  1  0  0  0  0
 12  3  2  0  0  0  0
 13 16  2  0  0  0  0
 14  8  1  0  0  0  0
 15 11  2  0  0  0  0
 16 12  1  0  0  0  0
 17  6  1  0  0  0  0
 18 10  1  0  0  0  0
 19 14  1  0  0  0  0
 20 19  1  0  0  0  0
 15 13  1  0  0  0  0
 20 18  1  0  0  0  0
M  END
>  <Mol_ID> (317)
317

>  <Formula> (317)
C13H18N2O4S

>  <MolWeight> (317)
298.35802

>  <COMPOUND_NAME> (317)
WAY-113826

>  <BAR_CODE_NO> (317)
3898285

$$$$
WAY-115178
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    7.6921    2.1253    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.2660    0.7147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4698    2.8274    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.2849    2.1440    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.2096    3.6110    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.4698    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4134    4.5578    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6921    0.7147    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.6921    3.5546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9119    4.1064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7239    5.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4074    6.0060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3164    5.1344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8335    3.2725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4482    3.7051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9461    1.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2066    0.1505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5386    1.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3510    7.2410    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9867    2.5579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7642    0.1505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7363    7.6734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  6  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8  1  1  0  0  0  0
  9  1  1  0  0  0  0
 10  5  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 15  2  0  0  0  0
 14 10  2  0  0  0  0
 15 14  1  0  0  0  0
 16  1  1  0  0  0  0
 17  2  1  0  0  0  0
 18  3  1  0  0  0  0
 19 12  1  0  0  0  0
 20 13  1  0  0  0  0
 21 16  1  0  0  0  0
 22  8  1  0  0  0  0
 23 19  1  0  0  0  0
  2  4  1  0  0  0  0
  5  4  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <Mol_ID> (318)
318

>  <Formula> (318)
C19H26O4

>  <MolWeight> (318)
318.40734

>  <COMPOUND_NAME> (318)
WAY-115178

>  <BAR_CODE_NO> (318)
3928945

$$$$
WAY-117472
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
    4.8147    2.1563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6483    2.8353    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8147    0.7352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6483    0.0564    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3896    0.7425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0593    2.8564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6483    4.2209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0593    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4392    2.1563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2754    2.1563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2754    0.7140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4392    4.9352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1665    0.0637    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2229    4.2423    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8361    4.9352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4844    2.8564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4844    0.0141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4392    6.3352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8361    6.3634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6271    7.0209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  3  1  0  0  0  0
  9  2  1  0  0  0  0
 10  6  2  0  0  0  0
 11 10  1  0  0  0  0
 12  7  1  0  0  0  0
 13  5  2  0  0  0  0
 14 12  1  0  0  0  0
 15  7  2  0  0  0  0
 16 10  1  0  0  0  0
 17 11  1  0  0  0  0
 18 12  2  0  0  0  0
 19 14  1  0  0  0  0
 20 15  1  0  0  0  0
 21 20  2  0  0  0  0
  5  9  1  0  0  0  0
  8 11  2  0  0  0  0
 18 21  1  0  0  0  0
M  END
>  <Mol_ID> (319)
319

>  <Formula> (319)
C18H19NO2

>  <MolWeight> (319)
281.34896

>  <COMPOUND_NAME> (319)
WAY-117472

>  <BAR_CODE_NO> (319)
3898679

$$$$
WAY-117476
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    6.0082    2.1106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8473    2.7860    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0082    0.7035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8473    0.0281    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5881    0.7387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2182    2.8141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8473    4.1860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2182    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6302    2.1106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4424    2.1106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4424    0.6965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6302    4.8754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3639    0.0633    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4272    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0292    4.8754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6594    2.8141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6594    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6302    6.2756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2171    4.8966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0292    6.3106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8473    6.9720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  3  1  0  0  0  0
  9  2  1  0  0  0  0
 10  6  2  0  0  0  0
 11 10  1  0  0  0  0
 12  7  1  0  0  0  0
 13  5  2  0  0  0  0
 14 12  1  0  0  0  0
 15  7  2  0  0  0  0
 16 10  1  0  0  0  0
 17 11  1  0  0  0  0
 18 12  2  0  0  0  0
 19 14  1  0  0  0  0
 20 15  1  0  0  0  0
 21 19  1  0  0  0  0
 22 20  2  0  0  0  0
  9  5  1  0  0  0  0
 11  8  2  0  0  0  0
 22 18  1  0  0  0  0
M  END
>  <Mol_ID> (320)
320

>  <Formula> (320)
C19H21NO2

>  <MolWeight> (320)
295.37554

>  <COMPOUND_NAME> (320)
WAY-117476

>  <BAR_CODE_NO> (320)
3898680

$$$$
WAY-117823
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -0.1352   -0.9426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0614   -0.2598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1352   -2.3529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3283   -0.2598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0614    1.1057    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2545   -0.9874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0614   -3.0357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3283   -3.0357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5248   -0.9874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1145    1.7850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2545   -2.3529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4924   -0.3046    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5248   -2.3529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0903    3.1505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3283    1.1057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4924   -2.9909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2662    3.8988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1028    3.7712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5248    1.8298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4800    3.2160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  8 13  2  0  0  0  0
 10 14  2  0  0  0  0
 10 15  1  0  0  0  0
 11 16  2  0  0  0  0
 14 17  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  2  0  0  0  0
 17 20  2  0  0  0  0
  7 11  1  0  0  0  0
  9 13  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (321)
321

>  <Formula> (321)
C16H14N2O2

>  <MolWeight> (321)
266.29456

>  <COMPOUND_NAME> (321)
WAY-117823

>  <BAR_CODE_NO> (321)
3897545

$$$$
WAY-118304
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
    1.2076    0.2730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1972    1.2833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5903    0.6419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8386   -1.1098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2373    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5662    2.6661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9627    2.0247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6041   -0.3684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8524   -2.1236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9407    0.0385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9648    2.5281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9490    3.0385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2352   -1.7512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2338   -1.2064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3752    0.0488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9579   -2.4443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1972   -1.2029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0993   -1.1857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3924   -2.4339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  8 13  2  0  0  0  0
 10 14  2  0  0  0  0
 10 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  2  0  0  0  0
  7 12  1  0  0  0  0
  9 13  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (322)
322

>  <Formula> (322)
C17H17NO

>  <MolWeight> (322)
251.32298

>  <COMPOUND_NAME> (322)
WAY-118304

>  <BAR_CODE_NO> (322)
3897611

$$$$
WAY-118442
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
    1.0659    0.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0659   -0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8866    1.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2418    1.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3418   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8866   -0.5483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8866    2.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2418    2.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3824   -0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3866   -1.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0659    2.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6866    2.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0962   -0.5483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3134   -1.7483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0556    3.6483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6935    3.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0617   -1.3517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2418    4.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7582   -1.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7444   -2.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6582   -1.2483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2341   -3.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4824   -2.7483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6341   -3.7483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3824   -3.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
  8 11  2  0  0  0  0
 14 17  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (323)
323

>  <Formula> (323)
C18H20N2O5

>  <MolWeight> (323)
344.3618

>  <COMPOUND_NAME> (323)
WAY-118442

>  <BAR_CODE_NO> (323)
3898345

$$$$
WAY-118455
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
    0.8414    1.1548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6621    1.6237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8414    0.2030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0172    1.6237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6621    2.5548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621    1.1548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1172   -0.1970    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6621   -0.2452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0172    2.5548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8414    3.0030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621    3.0030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2621    1.6030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6103    0.2030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1621   -1.0142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4655    3.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3207   -0.2452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5379   -1.4452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2897   -1.0521    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9828   -1.4763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9724   -2.3970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7897   -1.0004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2345   -2.9763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7207   -2.9245    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5345   -3.8452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4828   -3.8004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
  9 10  2  0  0  0  0
 17 18  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (324)
324

>  <Formula> (324)
C18H20N2O4S

>  <MolWeight> (324)
360.4274

>  <COMPOUND_NAME> (324)
WAY-118455

>  <BAR_CODE_NO> (324)
3898266

$$$$
WAY-118927
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
    9.1430   -3.5950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6480   -5.1460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4890   -3.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3160   -6.1105    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.0295   -5.1460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1760   -5.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5240   -2.3085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6290    0.3330    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4050   -4.5945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7940   -2.4465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9325   -5.1115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0720   -3.0325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2435   -1.9410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1615   -4.0085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9970   -1.1485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2485    0.5055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9275   -2.4810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2135   -0.8270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -1.3785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  2  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8 16  2  0  0  0  0
  9  6  1  0  0  0  0
 10 13  1  0  0  0  0
 11  9  2  0  0  0  0
 12  9  1  0  0  0  0
 13 12  2  0  0  0  0
 14 11  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17  7  1  0  0  0  0
 18  7  2  0  0  0  0
 19 10  1  0  0  0  0
  4  5  1  0  0  0  0
 15  8  1  0  0  0  0
 10 14  2  0  0  0  0
M  END
>  <Mol_ID> (325)
325

>  <Formula> (325)
C15H13N3S

>  <MolWeight> (325)
267.34882

>  <COMPOUND_NAME> (325)
WAY-118927

>  <BAR_CODE_NO> (325)
3897412

$$$$
WAY-118973-A
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
    1.5046    0.2165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3754    0.2165    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9921   -0.4585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6504    1.0040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9421    1.4915    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2296    1.0040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1171   -0.4585    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1579   -1.2460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9546   -0.4085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2546   -1.2460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5046    1.1790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5546   -1.7335    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.8129   -0.2418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0879    0.5540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9954   -1.5043    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3496    0.4957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5413    0.7415    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5371   -0.3168    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6454   -0.9460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9454    0.1707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4046    1.2582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4704   -0.1335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1329   -0.6460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1079    0.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4829   -1.2043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9421    0.7165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9621    1.0665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  7  3  1  0  0  0  0
  8  7  2  0  0  0  0
  9  2  1  0  0  0  0
 10  3  2  0  0  0  0
 11  4  1  0  0  0  0
 12 10  1  0  0  0  0
 13  9  2  0  0  0  0
 14 13  1  0  0  0  0
 15  8  1  0  0  0  0
 16 17  1  0  0  0  0
 17 20  1  0  0  0  0
 18 16  2  0  0  0  0
 19 15  1  0  0  0  0
 20 23  1  0  0  0  0
 21  6  1  0  0  0  0
 22 19  2  0  0  0  0
 23 25  2  0  0  0  0
 24 22  1  0  0  0  0
 25 19  1  0  0  0  0
 26 14  1  0  0  0  0
 27 16  1  0  0  0  0
  5  4  2  0  0  0  0
 12  8  1  0  0  0  0
 11 14  2  0  0  0  0
 24 20  2  0  0  0  0
M  END
>  <Mol_ID> (326)
326

>  <Formula> (326)
C20H19N5OS

>  <MolWeight> (326)
377.46276

>  <COMPOUND_NAME> (326)
WAY-118973-A

>  <BAR_CODE_NO> (326)
3898610

$$$$
WAY-119944
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
    0.6135    1.9342    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2963    2.3169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6135    1.1342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0244    2.3169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9652    1.9342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2963    3.0963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0244    0.7687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7037    1.9169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6273    2.3169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9756    1.1687    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.9652    3.4825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7037    1.1342    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6273    3.0963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4244    0.7307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4244   -0.1037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6900   -0.5210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7037   -1.3658    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0273   -0.1037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7037   -2.1658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3727   -2.5831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0100   -2.5693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4037   -3.3693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0100   -3.3831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6900   -3.7831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2348   -3.9175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9244   -3.4831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  9 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
 22 25  1  0  0  0  0
 25 26  1  0  0  0  0
  8 12  1  0  0  0  0
 11 13  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (327)
327

>  <Formula> (327)
C20H24FN3O2

>  <MolWeight> (327)
357.4218632

>  <COMPOUND_NAME> (327)
WAY-119944

>  <BAR_CODE_NO> (327)
3898819

$$$$
WAY-220526
csChFnd80/06171916322D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.9155   -7.7280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6185   -9.2800    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3905   -5.5035    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2745   -8.4460    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8740   -9.8015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9775   -6.8935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1320  -11.5165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1670   -7.6120    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -8.1680   -9.8015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0350  -12.2115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8350  -13.0455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0210   -6.2680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8630   -7.6120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3715  -15.2700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5215  -14.4590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1815  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  8  1  0  0  0  0
  6  4  1  0  0  0  0
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9  5  1  0  0  0  0
 10  7  2  0  0  0  0
 11  7  1  0  0  0  0
 12  8  1  0  0  0  0
 13 12  1  0  0  0  0
 14 11  2  0  0  0  0
 15 10  1  0  0  0  0
 16 14  1  0  0  0  0
 13  9  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <Mol_ID> (328)
328

>  <Formula> (328)
C12H16N2OS

>  <MolWeight> (328)
236.33324

>  <COMPOUND_NAME> (328)
WAY-220526

>  <BAR_CODE_NO> (328)
3899220

$$$$
WAY-223321
csChFnd80/06171916322D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -0.4552    0.1273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4552   -1.2520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7897    0.5445    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6966    0.9618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7897   -1.6659    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6966   -2.1280    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5724   -0.6073    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9793    0.4031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5552    2.3825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1345    1.2342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  8 10  1  0  0  0  0
  5  7  1  0  0  0  0
M  END
>  <Mol_ID> (329)
329

>  <Formula> (329)
C4H5N3O2S

>  <MolWeight> (329)
159.1664

>  <COMPOUND_NAME> (329)
WAY-223321

>  <BAR_CODE_NO> (329)
3899222

$$$$
WAY-224162
csChFnd80/06171916322D

 16 17  0  0  0  0  0  0  0  0999 V2000
    3.1662    2.3466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7440    2.3466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3114    1.0109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6019    1.0246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4681    0.2186    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0072    3.4608    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5647    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4744    4.7281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8861    1.7091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8587    1.0003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8930    6.0017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7449    5.3369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2358    4.1529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9562    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0108    0.6785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2403    0.7104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  2  0  0  0  0
  8  6  1  0  0  0  0
  9  4  1  0  0  0  0
 10  4  1  0  0  0  0
 11  8  1  0  0  0  0
 12  8  1  0  0  0  0
 13  8  1  0  0  0  0
 14 10  1  0  0  0  0
 15  9  1  0  0  0  0
 16 14  1  0  0  0  0
  5  3  1  0  0  0  0
 16 15  1  0  0  0  0
M  END
>  <Mol_ID> (330)
330

>  <Formula> (330)
C13H21NO2

>  <MolWeight> (330)
223.31134

>  <COMPOUND_NAME> (330)
WAY-224162

>  <BAR_CODE_NO> (330)
3898348

$$$$
WAY-225422
csChFnd80/06171916322D

 23 24  0  0  0  0  0  0  0  0999 V2000
   -1.5240   -0.2654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4620   -0.7930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5171    0.8346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5792   -0.8137    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4068   -0.2447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4482    1.3794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3587   -0.2689    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1378   -1.7585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0516   -1.7585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3999    0.8484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3035   -0.8240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3413    1.3932    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2484   -0.2896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2827    0.8691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1898   -0.8447    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2240    1.4173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2999   -0.2309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1449   -0.3102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1484    0.7829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0829   -0.8689    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1104    1.3242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0346   -0.3378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0518    0.7587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  7 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
  6 10  2  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (331)
331

>  <Formula> (331)
C15H17N3O3S2

>  <MolWeight> (331)
351.44378

>  <COMPOUND_NAME> (331)
WAY-225422

>  <BAR_CODE_NO> (331)
3898728

$$$$
WAY-225460
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
    1.7034    1.4275    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.8344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6966    0.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9931    1.8378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1345    1.4137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.6585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9828    0.1965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2724    1.4344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8448    1.8206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1448    3.0654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2724    0.6102    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8586    2.6482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4414    0.1965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1552    0.6102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8690    0.1965    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1552    1.4344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8690   -0.6277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5793   -1.0484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1586   -1.0484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5793   -1.8725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1586   -1.8725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8690   -2.2794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8690   -3.1035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5828   -3.5139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1552   -3.5139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3034   -3.1035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  9 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (332)
332

>  <Formula> (332)
C20H23N3O3

>  <MolWeight> (332)
353.41492

>  <COMPOUND_NAME> (332)
WAY-225460

>  <BAR_CODE_NO> (332)
3898965

$$$$
WAY-225472
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    3.6914    4.7754    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.9302    4.0756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1810    4.6343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1514    3.6051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4700    5.4811    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5569    3.6051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4339    2.3877    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.0577    2.6700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2450    2.3877    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9993    3.5110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4049    5.9928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6329    2.3877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2450    4.7754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3504    1.1997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.8298    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4406    6.8808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2527    4.7284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7266    1.2174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3970    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0353    5.4341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2527    7.5807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7090    3.5874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3328    3.5757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4441    2.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  8  1  0  0  0  0
  8  2  2  0  0  0  0
  9  6  1  0  0  0  0
 10  1  2  0  0  0  0
 11  1  2  0  0  0  0
 12  9  1  0  0  0  0
 13  6  2  0  0  0  0
 14 12  2  0  0  0  0
 15 20  1  0  0  0  0
 16  5  1  0  0  0  0
 17  5  1  0  0  0  0
 18 14  1  0  0  0  0
 19 18  1  0  0  0  0
 20 17  1  0  0  0  0
 21 16  1  0  0  0  0
 22 23  2  0  0  0  0
 23 12  1  0  0  0  0
 24 22  1  0  0  0  0
 15 21  1  0  0  0  0
  7  4  1  0  0  0  0
 18 24  2  0  0  0  0
M  END
>  <Mol_ID> (333)
333

>  <Formula> (333)
C15H15FN2O4S2

>  <MolWeight> (333)
370.4190032

>  <COMPOUND_NAME> (333)
WAY-225472

>  <BAR_CODE_NO> (333)
3898357

$$$$
WAY-227320
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.6757   -0.7964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4929   -0.7964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4032   -1.5722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1860   -0.1205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7515   -1.5791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0515   -0.1860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0757   -2.0584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3864   -1.8101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6381   -0.1964    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5239    0.6312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5515   -1.7550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8515   -0.3584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1243    0.4692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1032   -1.1412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9450    0.3830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7864    1.2278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4381    1.0450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2692    1.8933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0968    1.8140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5761    2.4933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4071    2.4140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  9 13  1  0  0  0  0
 11 14  1  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
  5  7  1  0  0  0  0
 12 14  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (334)
334

>  <Formula> (334)
C17H19NO3

>  <MolWeight> (334)
285.33766

>  <COMPOUND_NAME> (334)
WAY-227320

>  <BAR_CODE_NO> (334)
3897967

$$$$
WAY-227469
csChFnd80/06171916322D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.5440    1.1933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5836    0.5347    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5061    2.4761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6337    0.5140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6836   -0.0964    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2249    1.6347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0440   -0.5550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5958    3.1036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7268    1.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6836   -1.3550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7268    2.4554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7732   -1.9653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5939   -1.9653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8164    3.0864    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.7732   -3.1860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5939   -3.1860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6836   -3.8343    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  8 11  2  0  0  0  0
 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  2  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
  9 11  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (335)
335

>  <Formula> (335)
C11H9ClN2O2S

>  <MolWeight> (335)
268.71936

>  <COMPOUND_NAME> (335)
WAY-227469

>  <BAR_CODE_NO> (335)
3899257

$$$$
WAY-227722
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   13.4710   -4.0430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7560   -4.1230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8345   -3.4035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5540   -3.4035    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6125   -4.8220    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2605   -3.6115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2355   -5.1775    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7630   -4.7020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9920   -3.3920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9135   -4.0190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9095   -2.7805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4590   -2.7845    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5695   -3.7915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6325   -4.0150    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   15.6285   -2.7685    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.3660   -4.4945    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.4525   -2.9245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4660   -4.8700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0620   -3.2880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -4.6380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9680   -2.1455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9410   -2.4130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2460   -2.5930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  2  0  0  0  0
  6  2  1  0  0  0  0
  7  8  1  0  0  0  0
  8  1  2  0  0  0  0
  9 15  1  0  0  0  0
 10  4  1  0  0  0  0
 11  4  1  0  0  0  0
 12  3  2  0  0  0  0
 13  6  1  0  0  0  0
 14 10  1  0  0  0  0
 15 11  1  0  0  0  0
 16 13  1  0  0  0  0
 17  6  2  0  0  0  0
 18  8  1  0  0  0  0
 19 13  2  0  0  0  0
 20 14  1  0  0  0  0
 21 15  1  0  0  0  0
 22 17  1  0  0  0  0
 23 22  2  0  0  0  0
  7  5  1  0  0  0  0
  9 14  1  0  0  0  0
 23 19  1  0  0  0  0
M  END
>  <Mol_ID> (336)
336

>  <Formula> (336)
C17H19ClN2O3

>  <MolWeight> (336)
334.79736

>  <COMPOUND_NAME> (336)
WAY-227722

>  <BAR_CODE_NO> (336)
3897240

$$$$
WAY-229410
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
    0.0748    0.0463    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2132    0.5623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1382   -0.5117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8072    0.6553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7232   -0.6857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2122   -0.3437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2482    0.2503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6778    0.0463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4808    0.0433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1318    1.0573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2608   -0.9467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8838    0.0463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7958    0.5443    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9808   -0.4697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9778    0.5683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5838   -0.4697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5838    0.5683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7898   -0.4757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9362    1.2433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7802   -1.2857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7492   -0.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8242    0.4303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8062   -1.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5062    1.4203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9562    1.0183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3202   -1.5317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  5  6  2  0  0  0  0
  7  4  1  0  0  0  0
  8  1  1  0  0  0  0
  9 12  1  0  0  0  0
 10  2  2  0  0  0  0
 11  3  2  0  0  0  0
 12 17  2  0  0  0  0
 13  9  2  0  0  0  0
 14  8  1  0  0  0  0
 15  8  2  0  0  0  0
 14 16  2  0  0  0  0
 17 15  1  0  0  0  0
 18  9  1  0  0  0  0
  4 19  2  0  0  0  0
 20  5  1  0  0  0  0
 21  6  1  0  0  0  0
 22  7  2  0  0  0  0
 23 26  1  0  0  0  0
 24 19  1  0  0  0  0
 24 25  2  0  0  0  0
 26 20  2  0  0  0  0
 12 16  1  0  0  0  0
  6  7  1  0  0  0  0
 21 23  2  0  0  0  0
 25 22  1  0  0  0  0
M  END
>  <Mol_ID> (337)
337

>  <Formula> (337)
C21H13NO4

>  <MolWeight> (337)
343.33222

>  <COMPOUND_NAME> (337)
WAY-229410

>  <BAR_CODE_NO> (337)
3897396

$$$$
WAY-230289
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    1.8422   -0.6121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6112   -0.2087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2457   -0.0293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7078   -1.4880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4078    0.6017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4422   -0.2914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5836    0.6948    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4112   -0.1949    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9284   -1.7949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3905   -1.9983    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1491    1.0155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7560    0.4775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1440    0.4258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8595   -2.6052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9578    0.2638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1250    1.2362    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5267    0.8982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3336    0.7293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6026   -0.0604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9060    1.3534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4440   -0.2293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7302    1.1913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9888    0.3982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8267    0.2258    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
 23 24  1  0  0  0  0
  5  7  1  0  0  0  0
 11 12  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (338)
338

>  <Formula> (338)
C17H16ClNO4S

>  <MolWeight> (338)
365.83124

>  <COMPOUND_NAME> (338)
WAY-230289

>  <BAR_CODE_NO> (338)
3898909

$$$$
WAY-230798-B
csChFnd80/06171916322D

 24 27  0  0  0  0  0  0  0  0999 V2000
    7.5040   -5.9395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8945   -6.2580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4390   -6.9170    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4830   -4.7875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9315   -4.6355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1935   -6.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4810   -7.5620    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9300   -7.3950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9955   -5.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2195   -6.0045    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.8860   -8.4600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4320   -8.3515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2620   -8.0905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9620   -6.9315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1935   -9.0685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9620   -8.3515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2615   -9.1045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6485   -3.3970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9065  -10.4810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6240   -6.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6450   -8.7205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9280  -11.4805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0005   -6.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.3300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  2  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8  7  2  0  0  0  0
  9  2  2  0  0  0  0
 10  9  1  0  0  0  0
 11  8  1  0  0  0  0
 12  3  1  0  0  0  0
 13 11  1  0  0  0  0
 14  6  1  0  0  0  0
 15 12  2  0  0  0  0
 16 15  1  0  0  0  0
 17 13  2  0  0  0  0
 18  5  1  0  0  0  0
 19 17  1  0  0  0  0
 20 13  1  0  0  0  0
 21 17  1  0  0  0  0
 22 19  1  0  0  0  0
 23 20  2  0  0  0  0
 24 23  1  0  0  0  0
  4  6  2  0  0  0  0
  8 10  1  0  0  0  0
 14 16  2  0  0  0  0
 21 24  2  0  0  0  0
M  END
>  <Mol_ID> (339)
339

>  <Formula> (339)
C18H16N4OS

>  <MolWeight> (339)
336.41084

>  <COMPOUND_NAME> (339)
WAY-230798-B

>  <BAR_CODE_NO> (339)
3899261

$$$$
WAY-233292
csChFnd80/06171916322D

 23 27  0  0  0  0  0  0  0  0999 V2000
   -0.1774   -0.0832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3192   -1.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2567    0.3065    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0157    1.1789    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3847   -1.1384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1463   -1.9798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1636   -0.0384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2567    1.8720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8808    0.7685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0157    2.0961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5916   -2.2418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2502   -0.4591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6295   -2.7487    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6774    1.2237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8567    2.6168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6468   -2.5867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2192   -0.8177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4916   -3.7832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6774    2.1065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5739    0.7685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8567    3.4030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4261   -1.9177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4670    2.4547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
 11 16  1  0  0  0  0
 12 17  2  0  0  0  0
 13 18  1  0  0  0  0
 14 19  1  0  0  0  0
 14 20  1  0  0  0  0
 15 21  1  0  0  0  0
 16 22  2  0  0  0  0
 19 23  2  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 13  1  0  0  0  0
 15 19  1  0  0  0  0
 17 22  1  0  0  0  0
M  END
>  <Mol_ID> (340)
340

>  <Formula> (340)
C19H23N3O

>  <MolWeight> (340)
309.40542

>  <COMPOUND_NAME> (340)
WAY-233292

>  <BAR_CODE_NO> (340)
3897580

$$$$
WAY-234609-B
csChFnd80/06171916322D

 29 33  0  0  0  0  0  0  0  0999 V2000
   -1.5931   -0.8089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1344   -0.0709    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7275   -0.5365    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1344   -1.5434    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9758   -0.3399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5758    0.6394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7275    0.3566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0035   -1.0916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9758   -1.2709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7862    0.1049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0035    0.8704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8276   -0.7192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7862   -1.7227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5620   -0.3399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0758    1.7739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8276    0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5621   -1.2537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5620   -1.2709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6621    2.3084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5759    1.0187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3897   -0.8847    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4966    1.9359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1138   -1.4192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4897    0.0187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1690    2.4808    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9483   -1.0503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3276    0.3808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1587    2.1118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0621   -0.1675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  2  0  0  0  0
 11 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 13 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  2  0  0  0  0
 17 21  1  0  0  0  0
 19 22  2  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
 23 26  1  0  0  0  0
 24 27  1  0  0  0  0
 25 28  1  0  0  0  0
 26 29  1  0  0  0  0
  5  9  2  0  0  0  0
  6  7  2  0  0  0  0
 14 18  1  0  0  0  0
 20 22  1  0  0  0  0
 27 29  1  0  0  0  0
M  END
>  <Mol_ID> (341)
341

>  <Formula> (341)
C23H26N4O2

>  <MolWeight> (341)
390.47814

>  <COMPOUND_NAME> (341)
WAY-234609-B

>  <BAR_CODE_NO> (341)
3899270

$$$$
WAY-234624-A
csChFnd80/06171916322D

 24 27  0  0  0  0  0  0  0  0999 V2000
    9.6370   -6.9060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0645   -7.8345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6645   -5.0760    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5105   -6.9060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5105   -5.0760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0645   -9.6370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5105  -10.5470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2095   -7.8345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5105  -12.3680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0645  -13.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9195  -13.2780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9195   -9.6370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0645  -15.0895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2550   -4.1930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9195  -15.0895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5105  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8000   -6.9240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9195   -7.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9195   -4.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8095   -5.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6370  -12.3585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3470  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3470   -5.0850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3470   -6.9060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  6  1  0  0  0  0
  8  1  2  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11  9  2  0  0  0  0
 12  7  2  0  0  0  0
 13 10  2  0  0  0  0
 14  3  1  0  0  0  0
 15 11  1  0  0  0  0
 16 15  2  0  0  0  0
 17  8  1  0  0  0  0
 18  4  2  0  0  0  0
 19  5  2  0  0  0  0
 20 17  1  0  0  0  0
 21 10  1  0  0  0  0
 22 15  1  0  0  0  0
 23 19  1  0  0  0  0
 24 18  1  0  0  0  0
  4  5  1  0  0  0  0
 20 14  1  0  0  0  0
 24 23  2  0  0  0  0
 16 13  1  0  0  0  0
M  END
>  <Mol_ID> (342)
342

>  <Formula> (342)
C20H21N3O

>  <MolWeight> (342)
319.40024

>  <COMPOUND_NAME> (342)
WAY-234624-A

>  <BAR_CODE_NO> (342)
3897290

$$$$
WAY-235289
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -0.2384    0.6410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9867    1.0617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4995    1.0617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2384   -0.2211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9867    1.8996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7005    0.6410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4995    1.8996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2616    0.6617    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9867   -0.6383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4995   -0.6590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2384    2.3237    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7005    2.3237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4488    1.0617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2616    2.2996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2788   -0.2004    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9867   -1.5004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4995   -1.5004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4488    1.8996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2108    0.6617    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.3133   -1.0590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4409   -0.2211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1409   -0.1590    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2384   -1.9211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5995   -1.5004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0616   -1.4590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6133   -2.3383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0788   -2.3004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3616   -2.7590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  2  0  0  0  0
  7 14  2  0  0  0  0
  8 15  1  0  0  0  0
  9 16  1  0  0  0  0
 10 17  2  0  0  0  0
 12 18  2  0  0  0  0
 13 19  1  0  0  0  0
 15 20  1  0  0  0  0
 15 21  2  0  0  0  0
 15 22  2  0  0  0  0
 16 23  2  0  0  0  0
 20 24  2  0  0  0  0
 20 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  2  0  0  0  0
 26 28  2  0  0  0  0
  7 11  1  0  0  0  0
 13 18  1  0  0  0  0
 17 23  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (343)
343

>  <Formula> (343)
C21H15BrN2O3S

>  <MolWeight> (343)
455.3244

>  <COMPOUND_NAME> (343)
WAY-235289

>  <BAR_CODE_NO> (343)
3898196

$$$$
WAY-236238
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    1.4002   -0.3513    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0864   -0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7174   -0.7479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4002    0.4384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8450   -0.5237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0933   -1.5272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0347   -0.3513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7140    0.8315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2416   -1.2030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2381    0.1556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0347    0.4384    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4174   -0.5203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0209    0.1590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6860    0.8487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4033    0.4349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6929    1.6797    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1240    0.8487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8412    0.4349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8412   -0.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5550    0.8487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5550   -0.8065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2722    0.4349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2722   -0.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
  8 11  1  0  0  0  0
 12 13  2  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (344)
344

>  <Formula> (344)
C17H18N2O4

>  <MolWeight> (344)
314.33582

>  <COMPOUND_NAME> (344)
WAY-236238

>  <BAR_CODE_NO> (344)
3897303

$$$$
WAY-236338-A
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -1.2075  -15.1530    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.1990   -8.8135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2350   -7.9835    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0525   -6.2475    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5285   -3.7570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1740  -13.4845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6580  -15.9580    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.1490  -10.2640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5030   -5.4340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8365   -2.9180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2015  -16.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0190   -7.7570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1595   -6.3395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7105   -8.7885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2350  -12.7130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5575  -12.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6080  -11.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2015  -11.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1195   -7.9080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5850   -5.4675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8365   -1.4425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1530   -2.9770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1950   -1.4090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2035   -3.6980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4865   -0.6790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1530   -0.6120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4615   -2.9770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5285   -1.4090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  8  1  0  0  0  0
  3  2  1  0  0  0  0
  4 19  1  0  0  0  0
  5  9  1  0  0  0  0
  6  1  1  0  0  0  0
  7  1  1  0  0  0  0
  8 17  1  0  0  0  0
  9  4  1  0  0  0  0
 10  5  1  0  0  0  0
 11  1  2  0  0  0  0
 12  2  2  0  0  0  0
 13  3  1  0  0  0  0
 14  3  1  0  0  0  0
 15  6  2  0  0  0  0
 16  6  1  0  0  0  0
 17 16  2  0  0  0  0
 18 15  1  0  0  0  0
 19 14  1  0  0  0  0
 20 13  1  0  0  0  0
 21 10  2  0  0  0  0
 22  5  2  0  0  0  0
 23 22  1  0  0  0  0
 24 10  1  0  0  0  0
 25 23  2  0  0  0  0
 26 21  1  0  0  0  0
 27 24  2  0  0  0  0
 28 27  1  0  0  0  0
  8 18  2  0  0  0  0
  4 20  1  0  0  0  0
 21 25  1  0  0  0  0
 26 28  2  0  0  0  0
M  END
>  <Mol_ID> (345)
345

>  <Formula> (345)
C22H21N3O3

>  <MolWeight> (345)
375.42044

>  <COMPOUND_NAME> (345)
WAY-236338-A

>  <BAR_CODE_NO> (345)
3897319

$$$$
WAY-236740
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
    9.7368    6.3667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.7368   11.9952    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.6281    2.8542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7368    4.9528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6281    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8284    2.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7812    7.7628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7812   10.5815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1419    6.3667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3231    6.4021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3918    2.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9283   12.7068    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.4565   12.6535    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8284    0.7201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0200    2.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3918    0.7201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5364    8.5007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9640    8.5007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5809    9.8968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9640    9.8611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0200    4.2324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2560    2.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4565    4.2324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4565    2.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2560    4.9528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2006    2.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2006    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  8  1  0  0  0  0
  3  6  1  0  0  0  0
  4  1  1  0  0  0  0
  5 14  1  0  0  0  0
  6 15  1  0  0  0  0
  7  1  1  0  0  0  0
  8 20  2  0  0  0  0
  9  1  2  0  0  0  0
 10  1  2  0  0  0  0
 11  3  2  0  0  0  0
 12  2  1  0  0  0  0
 13  2  2  0  0  0  0
 14  6  2  0  0  0  0
 15 21  1  0  0  0  0
 16  5  2  0  0  0  0
 17  7  1  0  0  0  0
 18  7  2  0  0  0  0
 19 17  2  0  0  0  0
 20 18  1  0  0  0  0
 21 25  2  0  0  0  0
 22 24  1  0  0  0  0
 23  4  1  0  0  0  0
 24 23  2  0  0  0  0
 25 23  1  0  0  0  0
 26 11  1  0  0  0  0
 27 16  1  0  0  0  0
 28 26  2  0  0  0  0
 29 27  2  0  0  0  0
 19  8  1  0  0  0  0
 15 22  2  0  0  0  0
 11 16  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (346)
346

>  <Formula> (346)
C20H13N3O5S

>  <MolWeight> (346)
407.39932

>  <COMPOUND_NAME> (346)
WAY-236740

>  <BAR_CODE_NO> (346)
3898750

$$$$
WAY-237008
csChFnd80/06171916322D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -1.9044   -0.0945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1147    0.3710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6940    0.3642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9044   -1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3147   -0.0807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4871   -0.0945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6940   -1.4669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4749    0.3779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4871   -1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2768    0.3642    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2715   -0.0807    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4680    1.2952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0611   -0.5324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8474   -0.0738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9370    0.8366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6853   -0.4393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8370    1.0297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2956    0.2400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6  9  2  0  0  0  0
  6 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
  7  9  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (347)
347

>  <Formula> (347)
C13H12ClNO3

>  <MolWeight> (347)
265.69228

>  <COMPOUND_NAME> (347)
WAY-237008

>  <BAR_CODE_NO> (347)
3898153

$$$$
WAY-296510
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -0.8517    0.6862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0276    0.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1379   -0.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2069    1.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6000   -0.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6000    1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9483    0.1862    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.4517   -1.3345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8931    1.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6000    2.7552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7759   -0.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7552    1.7172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9448   -0.4345    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3517    0.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3690   -1.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9724    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3552   -1.9241    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9552   -2.3448    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3759   -0.7448    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.9483   -0.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0310    1.2552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9724    0.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8931   -1.6828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0621    1.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0310    1.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8621   -2.2138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8621   -2.3138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  2  0  0  0  0
 16 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  2  0  0  0  0
 22 25  2  0  0  0  0
 23 26  1  0  0  0  0
 23 27  2  0  0  0  0
  7  9  1  0  0  0  0
 12 14  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (348)
348

>  <Formula> (348)
C17H11F3N2O4S

>  <MolWeight> (348)
396.3404496

>  <COMPOUND_NAME> (348)
WAY-296510

>  <BAR_CODE_NO> (348)
3897322

$$$$
WAY-296511
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -1.2414    0.7103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0241    0.9828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9793   -0.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5621    1.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6621    0.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1897    1.8241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1241   -0.0897    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.4897   -0.7897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1517    0.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5621    2.0552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4793    0.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    2.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2897   -0.8276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6483    1.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1241    0.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1379   -0.8276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9241   -0.6276    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7241   -0.4690    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0000    0.4103    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.5724   -0.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5724   -1.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207   -0.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207   -1.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8517   -0.8276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7000   -0.8276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1207   -1.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1276   -0.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9724   -1.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9759   -0.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4103   -0.8448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  2  0  0  0  0
 16 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
  7  9  1  0  0  0  0
 12 14  2  0  0  0  0
 23 24  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (349)
349

>  <Formula> (349)
C21H20F3N3O3

>  <MolWeight> (349)
419.3970096

>  <COMPOUND_NAME> (349)
WAY-296511

>  <BAR_CODE_NO> (349)
3897323

$$$$
WAY-296515
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
    2.5883    0.8069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1742   -0.6347    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9967   -0.1389    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7842    0.8902    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8633    1.7277    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7633    1.3027    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8425    0.1444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3425    1.8861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1867   -1.2973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1242   -0.5181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1867    0.0111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2117   -0.7223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5367   -1.5972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8534    0.3444    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2325   -1.2973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7008    2.8861    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5258    1.9236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1867   -2.5139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2325   -2.4681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2117   -3.0473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2617   -0.7223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1300    0.9736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0842    2.9652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2617   -3.0473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2867   -1.2973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3675    0.9736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2800    3.0111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2867   -2.5139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9633    1.9694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 11  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  2  0  0  0  0
  6  5  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  1  0  0  0  0
  9  2  1  0  0  0  0
 10  7  1  0  0  0  0
 11 10  1  0  0  0  0
 12  9  1  0  0  0  0
 13  2  2  0  0  0  0
 14  2  2  0  0  0  0
 15 12  2  0  0  0  0
 16  8  2  0  0  0  0
 17  8  1  0  0  0  0
 18  9  2  0  0  0  0
 19 20  2  0  0  0  0
 20 18  1  0  0  0  0
 21 15  1  0  0  0  0
 22 17  1  0  0  0  0
 23 17  2  0  0  0  0
 24 19  1  0  0  0  0
 25 21  2  0  0  0  0
 26 22  2  0  0  0  0
 27 23  1  0  0  0  0
 28 24  2  0  0  0  0
 29 27  2  0  0  0  0
  6  7  2  0  0  0  0
 26 29  1  0  0  0  0
 19 15  1  0  0  0  0
 28 25  1  0  0  0  0
M  END
>  <Mol_ID> (350)
350

>  <Formula> (350)
C21H17N3O3S2

>  <MolWeight> (350)
423.50798

>  <COMPOUND_NAME> (350)
WAY-296515

>  <BAR_CODE_NO> (350)
3897328

$$$$
WAY-296524
csChFnd80/06171916322D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -1.5103    1.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1000    0.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1000    1.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3379    1.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2655    0.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2655    1.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7483    0.3862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7483    1.8207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1483    1.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3379   -0.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9724    1.1069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3862    0.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9724   -0.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3862   -1.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1379   -0.3276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9724   -1.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2138   -1.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3862   -2.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6276   -1.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2138   -2.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
  6  9  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (351)
351

>  <Formula> (351)
C16H15NO3

>  <MolWeight> (351)
269.2952

>  <COMPOUND_NAME> (351)
WAY-296524

>  <BAR_CODE_NO> (351)
3897340

$$$$
WAY-296536
csChFnd80/06171916322D

 23 24  0  0  0  0  0  0  0  0999 V2000
    2.0792   -3.4042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0792   -2.5792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3625   -2.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7917   -2.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5042   -2.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8750   -3.6167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4875   -4.1167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2167   -2.1667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3625   -1.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5042   -3.4042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3625   -2.5667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667   -3.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9375   -2.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667   -0.9250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6417   -2.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6417   -2.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3625   -3.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6417   -0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9375   -3.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708   -2.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6500   -3.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708   -1.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  1  2  0  0  0  0
  7  1  2  0  0  0  0
  8  5  1  0  0  0  0
  9  3  1  0  0  0  0
 10  5  2  0  0  0  0
 11 16  2  0  0  0  0
 12  1  1  0  0  0  0
 13  8  1  0  0  0  0
 14  9  1  0  0  0  0
 15  3  2  0  0  0  0
 16 13  1  0  0  0  0
 17 22  2  0  0  0  0
 18  9  2  0  0  0  0
 19 13  2  0  0  0  0
 20 14  1  0  0  0  0
 21 15  1  0  0  0  0
 22 19  1  0  0  0  0
 23 21  2  0  0  0  0
 23 18  1  0  0  0  0
 17 11  1  0  0  0  0
M  END
>  <Mol_ID> (352)
352

>  <Formula> (352)
C15H17N3O4S

>  <MolWeight> (352)
335.37818

>  <COMPOUND_NAME> (352)
WAY-296536

>  <BAR_CODE_NO> (352)
3897354

$$$$
WAY-296542
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -1.4103    0.7483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9000    0.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4103    1.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9000    0.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4103    0.7414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9000   -0.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9103    1.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9103    1.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9000   -0.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0897    0.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4103   -0.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9103    2.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9103    2.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5897    0.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4103    2.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0897    0.4414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5897    1.3310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0897   -0.1448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5897   -0.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5897   -1.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0897   -1.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0897   -1.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0897   -1.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0897   -1.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5897   -2.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5897   -2.7931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0897   -3.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
 10 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
  9 11  2  0  0  0  0
 13 15  2  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (353)
353

>  <Formula> (353)
C22H20N2O3

>  <MolWeight> (353)
360.4058

>  <COMPOUND_NAME> (353)
WAY-296542

>  <BAR_CODE_NO> (353)
3897364

$$$$
WAY-296545
csChFnd80/06171916322D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -0.1750    0.1764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6833   -0.1653    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3542    1.0764    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9167   -0.4236    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.2597    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8458   -1.0653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9167    0.7972    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2167    1.3972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7458   -1.2028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7542   -0.1028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1458   -0.3861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3750    2.3139    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000   -1.7236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4750   -0.6861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0625   -0.2653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  2  1  0  0  0  0
  7 10  1  0  0  0  0
  8  3  1  0  0  0  0
  9  6  2  0  0  0  0
 10  4  2  0  0  0  0
 11  5  2  0  0  0  0
 12  8  1  0  0  0  0
 13  6  1  0  0  0  0
 14 10  1  0  0  0  0
 15 11  1  0  0  0  0
  7  8  2  0  0  0  0
 11  9  1  0  0  0  0
M  END
>  <Mol_ID> (354)
354

>  <Formula> (354)
C9H12N6

>  <MolWeight> (354)
204.23178

>  <COMPOUND_NAME> (354)
WAY-296545

>  <BAR_CODE_NO> (354)
3897368

$$$$
WAY-296550
csChFnd80/06171916322D

 24 25  0  0  0  0  0  0  0  0999 V2000
   -1.8034    0.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0897   -0.3931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8034    0.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5241   -0.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3759    0.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0897   -1.2207    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5241    1.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1000    1.2586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2379    0.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3379   -0.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8000   -1.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2931   -1.4310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6793   -1.9310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2379    0.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1000    2.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0483    0.0172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3379   -1.2207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7690   -0.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4862    0.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4828    0.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1966   -0.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1862    1.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9103    0.0310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9069    0.8552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
  6 13  2  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
 10 16  1  0  0  0  0
 10 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
  9 14  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (355)
355

>  <Formula> (355)
C16H19N3O4S

>  <MolWeight> (355)
349.40476

>  <COMPOUND_NAME> (355)
WAY-296550

>  <BAR_CODE_NO> (355)
3897375

$$$$
WAY-296583-A
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.7897   -0.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2793    0.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0345   -0.4414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0448   -1.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9414    0.9759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2931   -1.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3793   -1.7069    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4310    1.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5828    0.7966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0759   -1.4828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2517    1.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6897   -0.9345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7379    2.2172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4759   -1.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5172   -0.1207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5517    2.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0897   -0.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1276    0.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9138    0.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8724   -0.8793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
  7  8  1  0  0  0  0
 10 12  2  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (356)
356

>  <Formula> (356)
C16H15N3OS

>  <MolWeight> (356)
297.3748

>  <COMPOUND_NAME> (356)
WAY-296583-A

>  <BAR_CODE_NO> (356)
3897414

$$$$
WAY-296586
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.4138    0.3552    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.7276   -0.5828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2138    0.9345    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.1862    1.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4724   -0.1034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6931   -0.5655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1931   -1.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9931    0.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3138    1.9172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9724    0.5552    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.7724    1.9345    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6138    1.7345    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.8069   -1.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6276   -2.2828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8931    0.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1931    2.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3517   -2.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2517   -0.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0138    1.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3241   -2.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2241   -0.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7724   -1.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7517   -1.1448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  2  0  0  0  0
  8 15  1  0  0  0  0
  9 16  1  0  0  0  0
 13 17  2  0  0  0  0
 13 18  1  0  0  0  0
 15 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  2  0  0  0  0
 20 22  2  0  0  0  0
 22 23  1  0  0  0  0
  6  8  2  0  0  0  0
 16 19  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (357)
357

>  <Formula> (357)
C15H15F3N2O3

>  <MolWeight> (357)
328.2864096

>  <COMPOUND_NAME> (357)
WAY-296586

>  <BAR_CODE_NO> (357)
3897417

$$$$
WAY-296642
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.8964    1.8756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6343    1.4756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1446    1.3859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8757    2.7445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6653    0.5652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3964    1.9238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1757    0.5445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5964    3.1859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9136    0.1445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3446    2.7756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5657    0.0756    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3657   -0.3865    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0554    0.8238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1243   -0.6348    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3657   -1.2658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6036   -1.6865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1140   -1.6865    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6036   -2.5348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1140   -2.5348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3657   -2.9555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3657   -3.8348    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  2  0  0  0  0
 12 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 20 21  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (358)
358

>  <Formula> (358)
C15H11ClN2O2S

>  <MolWeight> (358)
318.77804

>  <COMPOUND_NAME> (358)
WAY-296642

>  <BAR_CODE_NO> (358)
3897488

$$$$
WAY-296646
csChFnd80/06171916322D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -1.9652   -0.1846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1858    0.2568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9652   -1.0880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7410    0.2637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4031   -0.1846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7479   -1.5363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5238   -0.1846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3624    0.2568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5238   -1.0880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1452   -0.1846    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3624    1.1602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3065   -1.5363    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.9245    0.2568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7004   -0.1846    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9245    1.1602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4866    0.2568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7004    1.6016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4866    1.1602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2693   -0.2018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6  9  2  0  0  0  0
  8 10  1  0  0  0  0
  8 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
  7  9  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (359)
359

>  <Formula> (359)
C14H13BrN2O2

>  <MolWeight> (359)
321.16922

>  <COMPOUND_NAME> (359)
WAY-296646

>  <BAR_CODE_NO> (359)
3897494

$$$$
WAY-296649
csChFnd80/06171916322D

 18 19  0  0  0  0  0  0  0  0999 V2000
    1.2103   -0.4897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3724   -0.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5586   -1.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6793    0.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3897   -0.0483    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.0966   -1.2276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4103   -1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5517    0.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7276    0.7241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8966   -0.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8793   -0.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5414    0.8241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7586   -0.6759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0414    0.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8759    1.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8897    0.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7276    1.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2414    1.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
  8 11  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (360)
360

>  <Formula> (360)
C14H20N2O2

>  <MolWeight> (360)
248.3208

>  <COMPOUND_NAME> (360)
WAY-296649

>  <BAR_CODE_NO> (360)
3897497

$$$$
WAY-296651
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
    0.0586   -0.5034    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.6103   -0.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7276   -0.0207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4655   -1.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3552    0.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3966   -0.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4690    0.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5103   -0.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0483   -1.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2862   -1.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8414    1.4345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0103    0.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5655   -1.0862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9552    1.4345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1207    0.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4552   -2.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7759   -1.9172    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.6931   -1.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8379    1.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7897    0.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9483    1.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9069    0.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2793   -2.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4517    1.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4034    0.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5552    1.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5172    0.5724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2345    1.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3414    1.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0621    1.3793    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  2  0  0  0  0
  7 14  2  0  0  0  0
  8 15  1  0  0  0  0
  9 16  1  0  0  0  0
  9 17  1  0  0  0  0
 10 18  2  0  0  0  0
 12 19  2  0  0  0  0
 12 20  1  0  0  0  0
 15 21  1  0  0  0  0
 15 22  2  0  0  0  0
 16 23  2  0  0  0  0
 19 24  1  0  0  0  0
 20 25  2  0  0  0  0
 21 26  2  0  0  0  0
 22 27  1  0  0  0  0
 24 28  2  0  0  0  0
 26 29  1  0  0  0  0
 28 30  1  0  0  0  0
  5  7  1  0  0  0  0
 18 23  1  0  0  0  0
 25 28  1  0  0  0  0
 27 29  2  0  0  0  0
M  END
>  <Mol_ID> (361)
361

>  <Formula> (361)
C23H16ClFN2O3

>  <MolWeight> (361)
422.8361432

>  <COMPOUND_NAME> (361)
WAY-296651

>  <BAR_CODE_NO> (361)
3897500

$$$$
WAY-296654
csChFnd80/06171916322D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -0.9797   -0.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9590    0.9552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6176   -0.9345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0203   -0.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8694    0.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0513    1.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8280    1.4759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8383   -0.5966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8203   -0.1759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8280    0.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8203    1.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1513    2.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1383   -1.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8513   -0.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8824   -1.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3694   -2.3448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4893    0.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3410   -1.1759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 14 17  1  0  0  0  0
 14 18  2  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <Mol_ID> (362)
362

>  <Formula> (362)
C13H22N2O3

>  <MolWeight> (362)
254.32538

>  <COMPOUND_NAME> (362)
WAY-296654

>  <BAR_CODE_NO> (362)
3897503

$$$$
WAY-296661
csChFnd80/06171916322D

 23 24  0  0  0  0  0  0  0  0999 V2000
   -0.2103   -1.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9103   -1.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000   -1.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2207   -0.5276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9276   -2.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5414   -1.3966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5103   -2.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2103    0.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2103   -3.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2414   -1.9172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1241   -2.8448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9621    0.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5241    0.7621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8517   -3.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9621    1.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2414    2.0207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2414    2.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4379    1.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4379    3.2034    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.1241    2.0207    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.1241    2.8034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4379    3.9828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8000    1.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
  7  9  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (363)
363

>  <Formula> (363)
C17H26N2O4

>  <MolWeight> (363)
322.39934

>  <COMPOUND_NAME> (363)
WAY-296661

>  <BAR_CODE_NO> (363)
3897510

$$$$
WAY-296670
csChFnd80/06171916322D

 28 32  0  0  0  0  0  0  0  0999 V2000
    0.3193   -0.2186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2366   -0.2186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1393    0.5883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1393   -1.0255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6952    0.5883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6952   -1.0255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0565    0.5883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3193    1.3952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0427   -1.0255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3193   -1.8324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6021    0.5883    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2366    1.3952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2366   -1.8324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5013   -0.2324    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4738    1.3814    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4600   -1.8186    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0193    1.3366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0883   -0.1634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4082   -0.2599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9090    1.3814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9918   -0.1220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8669    0.5021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8255   -1.0393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3952    0.6849    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7703    0.4745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4220    1.2952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7289   -1.0668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2289   -0.3186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  2  0  0  0  0
  9 16  2  0  0  0  0
 11 17  1  0  0  0  0
 11 18  1  0  0  0  0
 14 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  2  0  0  0  0
 19 23  1  0  0  0  0
 20 24  1  0  0  0  0
 22 25  1  0  0  0  0
 22 26  1  0  0  0  0
 23 27  2  0  0  0  0
 25 28  2  0  0  0  0
  8 12  1  0  0  0  0
  9 14  1  0  0  0  0
 10 13  2  0  0  0  0
 21 24  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (364)
364

>  <Formula> (364)
C23H21N3O2

>  <MolWeight> (364)
371.43174

>  <COMPOUND_NAME> (364)
WAY-296670

>  <BAR_CODE_NO> (364)
3897523

$$$$
WAY-296716
csChFnd80/06171916322D

 20 21  0  0  0  0  0  0  0  0999 V2000
    0.9481    1.2652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1619    0.4135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3278    0.4652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9481    2.7894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7136   -1.0555    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5757    0.9135    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1550   -1.0555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7450    0.9756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2826    3.5100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3209    3.6342    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8170   -0.0624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9623   -2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2791    0.4480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4998   -1.5589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5105   -1.7520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5933   -2.8589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9692   -0.3175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0174   -2.5348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3864    0.0273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5485   -1.0555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
  5  7  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (365)
365

>  <Formula> (365)
C15H16N2O2S

>  <MolWeight> (365)
288.36474

>  <COMPOUND_NAME> (365)
WAY-296716

>  <BAR_CODE_NO> (365)
3897582

$$$$
WAY-296724
csChFnd80/06171916322D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -1.9865    0.3161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8812    1.3301    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4173    0.7663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6610   -1.1482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3844    0.5249    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0313    2.5206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9877    2.3429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5227   -0.2477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7428    2.2306    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.7664   -2.1622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7145    1.2183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1972   -1.7119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4409   -3.6265    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.9800    0.4130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3102    1.1064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9155   -1.0856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5757    0.3012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1810   -1.8908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5111   -1.1974    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 19 18  2  0  0  0  0
 10 12  2  0  0  0  0
 19 17  1  0  0  0  0
 18 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 14  2  0  0  0  0
 15 14  1  0  0  0  0
 14 11  1  0  0  0  0
 13 10  1  0  0  0  0
 12  8  1  0  0  0  0
 11  5  1  0  0  0  0
 10  4  1  0  0  0  0
  9  3  1  0  0  0  0
  8  3  2  0  0  0  0
  7  2  2  0  0  0  0
  6  2  2  0  0  0  0
  5  2  1  0  0  0  0
  1  4  2  0  0  0  0
  3  1  1  0  0  0  0
  2  1  1  0  0  0  0
M  END
>  <Mol_ID> (366)
366

>  <Formula> (366)
C12H10Cl2N2O2S

>  <MolWeight> (366)
317.191

>  <COMPOUND_NAME> (366)
WAY-296724

>  <BAR_CODE_NO> (366)
3897595

$$$$
WAY-296737
csChFnd80/06171916322D

 21 24  0  0  0  0  0  0  0  0999 V2000
    1.2517    1.0586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6000    1.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8379   -0.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1690    1.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9897   -0.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4897    2.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9172   -1.0207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5103   -0.2345    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9448    1.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1690    3.1931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3000   -0.5207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7793    1.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2690    1.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1897    0.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9448   -0.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2690   -1.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2690   -0.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9483   -2.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9621   -1.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2828   -2.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3000   -3.6103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  9 13  2  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
  5  7  1  0  0  0  0
  8  9  1  0  0  0  0
 12 14  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (367)
367

>  <Formula> (367)
C16H10N2O2S

>  <MolWeight> (367)
294.3278

>  <COMPOUND_NAME> (367)
WAY-296737

>  <BAR_CODE_NO> (367)
3897613

$$$$
WAY-296740
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
    1.2310    0.1966    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.3897    0.1966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0448    0.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2310   -0.7448    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2034    0.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3897   -0.7448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8621    0.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0448    1.6034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4241   -1.2172    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.0241    0.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2034   -1.2172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6828    0.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8483    2.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000   -2.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0241   -0.7966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8517    0.6828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6828    1.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8897   -1.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7241    0.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7517   -0.7724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  2  0  0  0  0
 12 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 18 20  1  0  0  0  0
  6  9  1  0  0  0  0
 13 17  2  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (368)
368

>  <Formula> (368)
C17H17NOS

>  <MolWeight> (368)
283.38798

>  <COMPOUND_NAME> (368)
WAY-296740

>  <BAR_CODE_NO> (368)
3897617

$$$$
WAY-296754
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    0.0379    0.6207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1690    1.3552    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.0517   -0.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000    1.4690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9069    0.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8379    2.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4862    1.2069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2414   -1.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0586   -1.4448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5138    2.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1862    0.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4690   -1.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3759   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3310   -2.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000    3.8552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0724   -0.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3586   -2.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5759   -1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3000    0.7310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5000   -3.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5310    3.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6690   -1.7517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6310   -2.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  2  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
  8 13  2  0  0  0  0
  8 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  2  0  0  0  0
 12 17  1  0  0  0  0
 13 18  1  0  0  0  0
 13 19  1  0  0  0  0
 14 20  2  0  0  0  0
 15 21  1  0  0  0  0
 16 22  1  0  0  0  0
 18 23  2  0  0  0  0
  6 10  1  0  0  0  0
 17 22  2  0  0  0  0
 20 23  1  0  0  0  0
M  END
>  <Mol_ID> (369)
369

>  <Formula> (369)
C18H18N2O3

>  <MolWeight> (369)
310.34712

>  <COMPOUND_NAME> (369)
WAY-296754

>  <BAR_CODE_NO> (369)
3897633

$$$$
WAY-296822-A
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
    0.9931    0.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8138    0.1138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5103   -0.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7379    0.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0759    0.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3621   -0.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3207   -0.5517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7586   -1.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4103    1.3862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0448    1.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8862    1.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1759   -0.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5828   -1.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0931   -1.8241    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4379    0.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3690   -1.5931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2483    0.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9862   -1.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8138   -0.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7724   -1.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4276    0.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3897   -0.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2138    0.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2517    1.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4621    1.3897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8655    1.6931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
 11 15  2  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
  5  9  2  0  0  0  0
 12 15  1  0  0  0  0
 13 14  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (370)
370

>  <Formula> (370)
C19H16N4O2S

>  <MolWeight> (370)
364.42094

>  <COMPOUND_NAME> (370)
WAY-296822-A

>  <BAR_CODE_NO> (370)
3897715

$$$$
WAY-296823-A
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
    1.2828   -0.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7966   -0.6759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1069   -0.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9448    0.7517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0345   -0.6759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0483   -1.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5966    0.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4414    1.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2931   -1.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3828   -1.9483    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2655    1.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4172    0.4793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0793   -1.7207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7483    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9034    1.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6966   -1.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5759    1.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4897   -1.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5241   -0.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1000   -0.8621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1379    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9241   -0.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5379    0.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3621    1.3207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3241    0.2552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
  9 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (371)
371

>  <Formula> (371)
C18H16N2O4S

>  <MolWeight> (371)
356.39564

>  <COMPOUND_NAME> (371)
WAY-296823-A

>  <BAR_CODE_NO> (371)
3897716

$$$$
WAY-296824
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -1.0868    0.2666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0868    1.1287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3420   -0.1851    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8247   -0.1713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8247    1.5494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3247    1.5494    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4132   -0.6506    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7868   -0.9506    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1132    0.5666    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5868    0.2873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5627    1.1287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8040    2.4149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3247    2.3873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1580   -0.2127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3960   -1.4851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0627    2.8494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8960   -0.6506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1373   -1.9334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8753   -1.5127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6373   -1.9713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5960   -2.8334    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3960   -1.5713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  3  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  2  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
 12 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 10 11  2  0  0  0  0
 13 16  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (372)
372

>  <Formula> (372)
C15H16N2O4S

>  <MolWeight> (372)
320.36354

>  <COMPOUND_NAME> (372)
WAY-296824

>  <BAR_CODE_NO> (372)
3897717

$$$$
WAY-296836
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.8724    0.7103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8724   -0.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2103    1.3276    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.0310    1.0897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0310   -0.9103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2103   -1.1310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2690    0.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2103    2.5483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7517    0.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000   -2.0724    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.2690   -0.5310    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.0310    2.5483    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.4276    2.5483    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.2103    3.7897    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9724    0.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3276   -1.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5897    1.1690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5897   -0.9517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3276   -2.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3897   -0.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3897   -2.9724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4483   -1.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4483   -2.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 11 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  2  0  0  0  0
 16 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
  5  9  1  0  0  0  0
  7 11  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (373)
373

>  <Formula> (373)
C14H12BrF3N4O

>  <MolWeight> (373)
389.1704896

>  <COMPOUND_NAME> (373)
WAY-296836

>  <BAR_CODE_NO> (373)
3897734

$$$$
WAY-296843
csChFnd80/06171916322D

 23 24  0  0  0  0  0  0  0  0999 V2000
   -0.1230    1.3011    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9813   -2.2864    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9813   -0.2239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1230   -1.7739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8813   -1.7739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8813   -0.7364    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1230   -0.7364    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9813    0.7928    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7687    1.8303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4062    0.4136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6438    2.2011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7687   -2.2864    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8230   -2.2864    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6770    1.3011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7687    2.8636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5687    2.8636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5770    1.8303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6562    3.3761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4562    3.4011    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.6562   -1.7489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7687   -3.2739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7063   -1.7489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8230   -3.2989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  8  1  0  0  0  0
  4  7  2  0  0  0  0
  5  6  1  0  0  0  0
  6  3  2  0  0  0  0
  7  3  1  0  0  0  0
  8  1  1  0  0  0  0
  9  1  1  0  0  0  0
 10  1  2  0  0  0  0
 11  1  2  0  0  0  0
 12  4  1  0  0  0  0
 13  5  1  0  0  0  0
 14  9  2  0  0  0  0
 15  9  1  0  0  0  0
 16 18  1  0  0  0  0
 17 14  1  0  0  0  0
 18 15  2  0  0  0  0
 19 16  1  0  0  0  0
 20 12  1  0  0  0  0
 21 12  1  0  0  0  0
 22 13  1  0  0  0  0
 23 13  1  0  0  0  0
 17 16  2  0  0  0  0
  5  2  2  0  0  0  0
M  END
>  <Mol_ID> (374)
374

>  <Formula> (374)
C13H17ClN6O2S

>  <MolWeight> (374)
356.83108

>  <COMPOUND_NAME> (374)
WAY-296843

>  <BAR_CODE_NO> (374)
3897742

$$$$
WAY-296867
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -0.8456    0.8530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8215    0.8530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3594    1.6943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3594    0.0185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3008    1.6943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3008    0.0185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8456    2.5357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6026    1.6943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6026    0.0185    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8456   -0.8367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2767    1.6943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2767    0.0185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3594    3.3702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0888    2.5357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0888   -0.8126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7629    0.8530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6026    3.3702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6923   -1.6919    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0509   -0.8815    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3992   -2.3608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2716   -1.8436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4302   -3.3401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1199   -2.3298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2716   -3.8160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1337   -3.3091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 11 16  2  0  0  0  0
 13 17  1  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  2  0  0  0  0
 12 16  1  0  0  0  0
 14 17  2  0  0  0  0
 20 21  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (375)
375

>  <Formula> (375)
C21H16N2OS

>  <MolWeight> (375)
344.42954

>  <COMPOUND_NAME> (375)
WAY-296867

>  <BAR_CODE_NO> (375)
3897781

$$$$
WAY-296882
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -0.3828    0.4276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1828    0.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1897    1.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000   -0.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9414    0.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1000    1.6379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2724    1.8172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0690    1.0172    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8517   -0.9828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6724    0.8276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9724   -0.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4379    0.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7103   -0.7931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7724   -1.8310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4310    0.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7414   -0.9138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3172    0.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1414   -1.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5621   -2.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4724   -0.4414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6897   -0.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    0.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5690   -0.6828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2000   -1.3310    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6690    0.8276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4276    1.6690    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.0379    0.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  2  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  2  0  0  0  0
 12 17  1  0  0  0  0
 13 18  1  0  0  0  0
 14 19  1  0  0  0  0
 15 20  2  0  0  0  0
 17 21  1  0  0  0  0
 17 22  2  0  0  0  0
 21 23  2  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
 22 26  1  0  0  0  0
 23 27  1  0  0  0  0
  6  7  1  0  0  0  0
 16 20  1  0  0  0  0
 18 19  2  0  0  0  0
 25 27  2  0  0  0  0
M  END
>  <Mol_ID> (376)
376

>  <Formula> (376)
C19H14Cl2N4OS

>  <MolWeight> (376)
417.31166

>  <COMPOUND_NAME> (376)
WAY-296882

>  <BAR_CODE_NO> (376)
3897799

$$$$
WAY-296889
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -1.4897   -0.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2759   -0.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8207   -0.8552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2276    0.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9379   -0.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5345   -1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1517   -0.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4000    0.4069    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6103   -0.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3586   -1.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6276   -0.6379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2483   -0.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0793    0.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0276   -0.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7034    1.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6483    0.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4862    1.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1034    1.5483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8862    1.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  2  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (377)
377

>  <Formula> (377)
C14H12N2OS2

>  <MolWeight> (377)
288.38788

>  <COMPOUND_NAME> (377)
WAY-296889

>  <BAR_CODE_NO> (377)
3897806

$$$$
WAY-296891
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -2.4270   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4270    0.2466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5615   -1.2534    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2822   -1.2534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5615    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2822    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6753   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1442   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6753    0.2466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5615    1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1442    0.2466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2109   -1.2534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2109    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0765    0.2466    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2109    1.7845    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9385    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8213    0.2466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6799    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8213   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5454    0.2466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6799   -1.2534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5454   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  2  0  0  0  0
  9 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (378)
378

>  <Formula> (378)
C16H13N3O3

>  <MolWeight> (378)
295.29272

>  <COMPOUND_NAME> (378)
WAY-296891

>  <BAR_CODE_NO> (378)
3897808

$$$$
WAY-296904
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -0.1759    0.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1759   -0.3172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4724    0.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8310    0.8138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4724   -0.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8310   -0.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4724    1.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0517    0.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4828    0.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4724   -1.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1241   -0.3172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4828   -0.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8310   -1.4448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1241    1.9379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7724    0.8069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1345    0.8172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1241   -1.8172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1759   -1.8172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7724   -0.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1345   -0.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7724    1.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7862    0.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7724   -1.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7862   -0.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.9379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  6 13  2  0  0  0  0
  7 14  1  0  0  0  0
  8 15  2  0  0  0  0
  9 16  1  0  0  0  0
 10 17  2  0  0  0  0
 10 18  1  0  0  0  0
 11 19  1  0  0  0  0
 12 20  1  0  0  0  0
 14 21  2  0  0  0  0
 16 22  2  0  0  0  0
 17 23  1  0  0  0  0
 20 24  2  0  0  0  0
 21 25  1  0  0  0  0
  9 12  2  0  0  0  0
 15 21  1  0  0  0  0
 19 23  2  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <Mol_ID> (379)
379

>  <Formula> (379)
C21H17N3O

>  <MolWeight> (379)
327.37918

>  <COMPOUND_NAME> (379)
WAY-296904

>  <BAR_CODE_NO> (379)
3897825

$$$$
WAY-296922
csChFnd80/06171916322D

 23 24  0  0  0  0  0  0  0  0999 V2000
   -2.2931   -0.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5069   -0.5828    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3034    0.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9586   -0.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0276    0.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5276    0.7552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9793    0.9586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6897   -0.4586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9655   -1.6586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2034    0.1034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3828   -0.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2172   -0.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0414   -0.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1897   -1.3276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4345    0.1207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2586    0.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6552    0.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6828   -0.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4724    0.8793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2207    1.5690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5103   -0.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9103    0.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6207    2.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
  5  6  2  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (380)
380

>  <Formula> (380)
C15H16N2O5S

>  <MolWeight> (380)
336.36294

>  <COMPOUND_NAME> (380)
WAY-296922

>  <BAR_CODE_NO> (380)
3897846

$$$$
WAY-296945-A
csChFnd80/06171916322D

 21 22  0  0  0  0  0  0  0  0999 V2000
    1.2223    0.2265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3162    0.2265    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9584   -1.0996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9584    1.5007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0901    1.5007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4969   -1.0996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1845   -2.4304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4969    1.5007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2647    2.8504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5908    1.5007    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.3162    2.8315    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2284    0.2265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3647    0.2265    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3647    2.8315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9461    0.2265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8277    0.4578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5908   -1.0996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9461   -0.5805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1713   -2.5483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8281   -2.0859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5964   -3.0108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
  8 12  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (381)
381

>  <Formula> (381)
C18H28N2O

>  <MolWeight> (381)
288.42772

>  <COMPOUND_NAME> (381)
WAY-296945-A

>  <BAR_CODE_NO> (381)
3897875

$$$$
WAY-296952
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -0.9832    0.9586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8211    0.4793    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1590    0.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9832    1.9103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6245    0.0034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2832    1.2931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3245   -0.3448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6548    0.9552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1832    2.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8349    2.3724    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.4590    0.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6142   -0.9586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4858    0.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6410    1.9310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2625   -0.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4245   -1.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4927   -0.4448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3168    0.9724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2625   -0.9448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3168   -0.9207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3237   -1.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1375   -0.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1375   -2.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9548   -0.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9651   -1.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7927   -2.2966    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  2  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  2  0  0  0  0
 15 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  2  0  0  0  0
 25 26  1  0  0  0  0
  9 14  1  0  0  0  0
 16 19  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (382)
382

>  <Formula> (382)
C18H18ClFN2O3S

>  <MolWeight> (382)
396.8635232

>  <COMPOUND_NAME> (382)
WAY-296952

>  <BAR_CODE_NO> (382)
3897882

$$$$
WAY-296962
csChFnd80/06171916322D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -0.2724   -1.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2724   -0.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9379   -1.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3759   -1.4414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3897    0.0724    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.9241    0.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5862   -1.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9379   -2.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0379   -1.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3897    0.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0379   -0.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5862   -0.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2379   -1.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5862   -2.5759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6897   -1.4414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0379    1.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2621    1.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2379   -2.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0379    1.9379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2621    1.9379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3897    2.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6897    2.3207    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.6897    3.0586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3379    1.9379    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  2  0  0  0  0
 10 16  1  0  0  0  0
 10 17  2  0  0  0  0
 13 18  1  0  0  0  0
 16 19  2  0  0  0  0
 17 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
  7 12  1  0  0  0  0
  9 11  1  0  0  0  0
 14 18  2  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (383)
383

>  <Formula> (383)
C19H14N2O3

>  <MolWeight> (383)
318.32606

>  <COMPOUND_NAME> (383)
WAY-296962

>  <BAR_CODE_NO> (383)
3897893

$$$$
WAY-296966
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
    0.3793    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1103    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2241    0.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1931    1.6034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9517   -0.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8552    0.7448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1276   -0.5172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0172    0.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5931    1.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5310    0.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2724   -1.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000    1.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3138    0.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5483   -0.5448    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1000   -1.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8103   -0.1138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5552    1.3345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3379   -0.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5241   -0.5448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6069   -1.5724    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3483   -0.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7690    0.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7448   -1.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5931    0.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3655    0.8724    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5655   -1.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9931   -0.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 23 26  2  0  0  0  0
 24 27  2  0  0  0  0
  5  7  1  0  0  0  0
  9 12  2  0  0  0  0
 16 18  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (384)
384

>  <Formula> (384)
C20H15FN2O2S2

>  <MolWeight> (384)
398.4737032

>  <COMPOUND_NAME> (384)
WAY-296966

>  <BAR_CODE_NO> (384)
3897897

$$$$
WAY-296984
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
    1.2310    0.2966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8379    0.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6310    0.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2172   -0.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6034    1.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5655    0.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8621    1.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1069    0.5828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5655   -0.8241    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.1138    1.9966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0655    1.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3655    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6000    1.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5621   -1.5759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0828   -0.4414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8414    1.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3690    1.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0862   -1.9414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7379   -1.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3966   -1.9379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0345   -1.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0345   -0.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6862   -1.9172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6759   -0.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3345   -1.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3241   -0.7897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  2  0  0  0  0
 12 17  2  0  0  0  0
 14 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
  5  7  1  0  0  0  0
 11 16  1  0  0  0  0
 13 17  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <Mol_ID> (385)
385

>  <Formula> (385)
C23H24N2O

>  <MolWeight> (385)
344.44946

>  <COMPOUND_NAME> (385)
WAY-296984

>  <BAR_CODE_NO> (385)
3897924

$$$$
WAY-296988
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -1.1552   -0.3203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9586    0.1487    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3414    0.1487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1552   -1.2651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7724    0.6142    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4310   -0.6651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4931    0.9625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4690   -0.3203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3414   -1.7341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5931    0.1487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7724    1.5659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4690   -1.2651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2793    0.1487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4103    0.6142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5931    2.0349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0931   -0.3134    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2793    1.0866    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4103    1.5659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8931    0.1659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7069   -0.2858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7931   -1.1893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5276    0.1142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7276   -1.3893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1897   -0.5720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  2  0  0  0  0
 14 18  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
  9 12  2  0  0  0  0
 15 18  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (386)
386

>  <Formula> (386)
C16H18N2O5S

>  <MolWeight> (386)
350.38952

>  <COMPOUND_NAME> (386)
WAY-296988

>  <BAR_CODE_NO> (386)
3897930

$$$$
WAY-296991
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -0.9886   -0.5049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572   -1.4549    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2053    0.0910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6845   -1.4549    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6447   -0.4674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9678   -0.2299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6072   -0.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1886    0.7451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3905   -0.7882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7905    0.8493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5530    0.5285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7489    1.1785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3489   -0.4507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4989    0.8368    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.4470    1.4243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7011   -0.9340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1678    1.0493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6761   -0.6257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9136    0.3410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  5  1  0  0  0  0
  8  6  2  0  0  0  0
  9  7  2  0  0  0  0
 10  7  1  0  0  0  0
 11 12  1  0  0  0  0
 12 10  2  0  0  0  0
 13  9  1  0  0  0  0
 14 11  1  0  0  0  0
 15  8  1  0  0  0  0
 16  6  1  0  0  0  0
 17  8  1  0  0  0  0
 18 16  2  0  0  0  0
 19 18  1  0  0  0  0
  2  5  2  0  0  0  0
 19 17  2  0  0  0  0
 11 13  2  0  0  0  0
M  END
>  <Mol_ID> (387)
387

>  <Formula> (387)
C15H11ClN2O

>  <MolWeight> (387)
270.71364

>  <COMPOUND_NAME> (387)
WAY-296991

>  <BAR_CODE_NO> (387)
3897933

$$$$
WAY-296992
csChFnd80/06171916322D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -1.2793   -0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9931    0.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5655    0.2172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2759   -1.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7069   -0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9966    1.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1517   -0.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9931   -1.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7069   -1.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8621    0.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4207   -1.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5828   -0.1793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8586    1.0552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2931    0.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3724    1.0586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0448   -0.0897    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.1759    1.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5931    0.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
  8  9  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (388)
388

>  <Formula> (388)
C13H14N2O2S

>  <MolWeight> (388)
262.32746

>  <COMPOUND_NAME> (388)
WAY-296992

>  <BAR_CODE_NO> (388)
3897934

$$$$
WAY-296993
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -2.6712   -0.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7953   -0.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9402   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2781    0.5337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5126   -1.0146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2298    0.6130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2540   -1.5146    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8022   -1.1905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1540    0.3440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6229   -1.2732    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6505    1.3820    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4229   -0.5318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0357   -0.6387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8978   -0.8560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1505    0.2371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5185   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4081   -0.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2633    0.6544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0288    0.2371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8805    1.3268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7564    1.1130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9047    0.0199    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3909    1.7716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1322   -0.8560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2667    1.5578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  3  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
  5  7  1  0  0  0  0
  9 12  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (389)
389

>  <Formula> (389)
C19H20N2O3S

>  <MolWeight> (389)
356.4387

>  <COMPOUND_NAME> (389)
WAY-296993

>  <BAR_CODE_NO> (389)
3897936

$$$$
WAY-297020
csChFnd80/06171916322D

 22 25  0  0  0  0  0  0  0  0999 V2000
   -0.3034   -0.6483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9828    0.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5793    0.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3034   -2.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1414    1.5517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3379   -0.5207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8655   -0.6483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5793   -2.8793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9586   -2.8793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5897    1.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3276    0.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8655   -2.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1655    0.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3345    3.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8069    0.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1655   -2.8793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4276   -0.6483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8138    3.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5552    1.8621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4276   -2.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7207    0.0862    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.5552    4.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  2  0  0  0  0
  7 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  2  0  0  0  0
 14 18  2  0  0  0  0
 15 19  2  0  0  0  0
 16 20  2  0  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
  8 12  1  0  0  0  0
 10 11  2  0  0  0  0
 17 20  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (390)
390

>  <Formula> (390)
C17H11BrN2O2

>  <MolWeight> (390)
355.18544

>  <COMPOUND_NAME> (390)
WAY-297020

>  <BAR_CODE_NO> (390)
3897978

$$$$
WAY-297023
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -1.4274   -0.2794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9688   -1.2484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9964    0.6895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3171   -0.2794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3964   -2.2174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0792   -1.2725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4309    1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0792    0.6895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2967    0.6413    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2967   -1.2139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9240   -3.1967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6137   -2.2243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0102    2.6137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6619    1.6344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4036    0.5826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0688   -3.1967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1309    2.6137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9691    1.4447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8795   -0.3518    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4967    0.4550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4553    2.4137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9312   -0.4105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5346    0.3826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9588    3.3688    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4036   -1.3415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0277   -0.5381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4519   -1.4139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 14  2  0  0  0  0
  9 15  1  0  0  0  0
 11 16  2  0  0  0  0
 13 17  2  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  3  0  0  0  0
 22 25  1  0  0  0  0
 23 26  1  0  0  0  0
 25 27  1  0  0  0  0
 12 16  1  0  0  0  0
 14 17  1  0  0  0  0
 20 22  2  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (391)
391

>  <Formula> (391)
C23H20N2OS

>  <MolWeight> (391)
372.4827

>  <COMPOUND_NAME> (391)
WAY-297023

>  <BAR_CODE_NO> (391)
3897983

$$$$
WAY-297024
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -1.6878    0.5094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4568    0.0680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9671    0.0059    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4258    1.3576    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2120    0.5232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4568   -0.8113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2602    0.5094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5396    1.3576    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9878    0.0680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2120   -1.2665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5018    0.0680    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9878   -0.8113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2673    0.5094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0329    0.0680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2673    1.3956    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0329   -0.8113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8053    0.5094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8053   -1.2527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5708    0.0680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5708   -0.8113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3398   -1.2527    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  9 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 20 21  1  0  0  0  0
  7  8  2  0  0  0  0
 10 12  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (392)
392

>  <Formula> (392)
C15H10ClN3OS

>  <MolWeight> (392)
315.7774

>  <COMPOUND_NAME> (392)
WAY-297024

>  <BAR_CODE_NO> (392)
3897984

$$$$
WAY-297031
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -1.9345    1.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3517    0.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1172    1.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3414    2.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9448    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1724    0.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7069    0.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1690    2.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1207   -0.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5828    1.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1172    0.7103    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9379    0.7138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1103   -0.1172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1241    1.5345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3517    0.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.9414   -0.7172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1759    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3483   -1.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5897   -0.7103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5897    0.7172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9345   -2.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1586   -1.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3379   -2.8379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5690   -2.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1586   -2.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  2  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  2  0  0  0  0
 18 21  2  0  0  0  0
 18 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (393)
393

>  <Formula> (393)
C19H17NO4S

>  <MolWeight> (393)
355.40758

>  <COMPOUND_NAME> (393)
WAY-297031

>  <BAR_CODE_NO> (393)
3897996

$$$$
WAY-297037-A
csChFnd80/06171916322D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.2158    0.5921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7876    0.0162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2158    1.7473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2089    0.0162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7876   -1.1320    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2089    2.3266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2124    0.5921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7876   -1.7079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2124    1.7473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7911   -1.1286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7911   -2.8631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2124    2.3266    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -3.7876   -1.7044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7980   -3.4389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3227    2.0300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5089    3.4404    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.7876   -2.8596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6  9  2  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  2  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
  7  9  1  0  0  0  0
 14 17  1  0  0  0  0
M  END
>  <Mol_ID> (394)
394

>  <Formula> (394)
C13H18N2O2

>  <MolWeight> (394)
234.29422

>  <COMPOUND_NAME> (394)
WAY-297037-A

>  <BAR_CODE_NO> (394)
3898004

$$$$
WAY-297045
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -1.5327   -0.4288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9741   -1.1943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6672   -0.6219    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9741    0.3436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3844   -1.8460    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8568   -1.1943    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5913   -1.4874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0052   -0.0426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8568    0.3540    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5224    1.1298    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3017   -0.4288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3086   -1.9598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1742   -1.9391    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.8363   -0.3357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1844   -0.4184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4983    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0018   -1.2012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3328    1.0988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3294   -0.0598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9983    1.6712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9914    0.5092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8259    1.3781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4983    1.9574    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.3328    2.8229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3294    1.6609    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
 11 15  2  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 16 18  1  0  0  0  0
 16 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
  5  7  2  0  0  0  0
  9 11  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (395)
395

>  <Formula> (395)
C14H10BrN5O5

>  <MolWeight> (395)
408.1637

>  <COMPOUND_NAME> (395)
WAY-297045

>  <BAR_CODE_NO> (395)
3898013

$$$$
WAY-297046
csChFnd80/06171916322D

 22 25  0  0  0  0  0  0  0  0999 V2000
   -0.0862   -0.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0862   -0.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7448   -1.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5621   -1.2172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5655    0.2966    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.7448    0.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4000   -0.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7448   -1.9690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2172   -0.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5655    1.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2172   -0.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3966   -0.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0448   -1.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4000   -2.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8655   -1.2172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2172    1.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0828    1.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0448   -1.9690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2172    2.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0828    2.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5655    2.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8655    2.5414    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  2  0  0  0  0
 10 16  1  0  0  0  0
 10 17  2  0  0  0  0
 13 18  1  0  0  0  0
 16 19  2  0  0  0  0
 17 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
  7 12  1  0  0  0  0
  9 11  1  0  0  0  0
 14 18  2  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (396)
396

>  <Formula> (396)
C19H14ClNO

>  <MolWeight> (396)
307.77356

>  <COMPOUND_NAME> (396)
WAY-297046

>  <BAR_CODE_NO> (396)
3898014

$$$$
WAY-297070
csChFnd80/06171916322D

 15 17  0  0  0  0  0  0  0  0999 V2000
    0.2043    0.3619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1543   -0.0761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0423   -0.7899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7802    1.6688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1543   -1.5105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3957    0.6343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2043   -1.9519    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4664   -0.6450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2078    1.8205    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0543    2.8308    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3957   -2.2278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6370   -0.0761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0492    0.6619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6370   -1.5105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4733    0.8101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  8 13  2  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
  5  7  1  0  0  0  0
  9 13  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <Mol_ID> (397)
397

>  <Formula> (397)
C11H12N2OS

>  <MolWeight> (397)
220.29078

>  <COMPOUND_NAME> (397)
WAY-297070

>  <BAR_CODE_NO> (397)
3898044

$$$$
WAY-297091
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -1.6458    0.1234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6458   -0.7766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8700    0.5855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4251    0.5855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8700   -1.2386    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4251   -1.2386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0872    0.1234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8700    1.4855    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2079    0.1234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0872   -0.7766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2079   -0.7766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7128    0.6027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4921    0.1407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7128    1.5234    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2749    0.6027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4921   -0.7593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0542    0.1407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2749    1.5027    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2749   -1.2145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0542   -0.7593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  2  0  0  0  0
 17 20  2  0  0  0  0
  7 10  2  0  0  0  0
  9 11  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (398)
398

>  <Formula> (398)
C16H9ClO3

>  <MolWeight> (398)
284.69386

>  <COMPOUND_NAME> (398)
WAY-297091

>  <BAR_CODE_NO> (398)
3898077

$$$$
WAY-297107
csChFnd80/06171916322D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -0.3207   -0.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0241   -0.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0828    0.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1172   -0.7931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0310   -1.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6310    0.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6552    0.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3207   -1.3931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8690   -0.7931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6379   -1.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5483    0.7793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3207   -0.2724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8897    1.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1552    0.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0966   -2.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1586    1.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6241    1.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8897    0.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1172    0.9828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8552    1.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  2  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
 11 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  2  0  0  0  0
 17 19  2  0  0  0  0
 19 20  1  0  0  0  0
  5  8  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (399)
399

>  <Formula> (399)
C16H17NO3

>  <MolWeight> (399)
271.31108

>  <COMPOUND_NAME> (399)
WAY-297107

>  <BAR_CODE_NO> (399)
3898096

$$$$
WAY-297157
csChFnd80/06171916322D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -0.3892    0.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2592    0.2966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3892    1.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0409    0.2966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9109    0.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0409    1.8103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6892    0.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5592    0.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9109    1.4241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6892    1.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0409    2.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5592   -0.4517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9109   -0.8276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9109   -1.5759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2592   -0.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2592   -1.9517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5592   -1.9517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3892   -0.8241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3892   -1.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0409   -1.9483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  2  0  0  0  0
  6 11  1  0  0  0  0
  8 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  2  0  0  0  0
 19 20  1  0  0  0  0
  7 10  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (400)
400

>  <Formula> (400)
C16H18N2O2

>  <MolWeight> (400)
270.32632

>  <COMPOUND_NAME> (400)
WAY-297157

>  <BAR_CODE_NO> (400)
3898156

$$$$
WAY-297170-A
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -1.5276   -2.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5276   -1.4448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8138   -2.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2138   -2.6828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5138   -0.5828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8138   -3.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2276   -3.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2621   -0.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7931   -0.1655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5207   -3.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2138   -4.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2621    0.6759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5414    1.0862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8621    0.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5414    1.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1793    1.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8621    2.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1793    1.8862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000    2.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1793    1.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8586    2.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5379    1.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5379    1.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2207    2.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2207    0.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9000    1.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9000    1.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  8 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  2  0  0  0  0
  7 10  2  0  0  0  0
 17 18  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (401)
401

>  <Formula> (401)
C23H29N3O

>  <MolWeight> (401)
363.49586

>  <COMPOUND_NAME> (401)
WAY-297170-A

>  <BAR_CODE_NO> (401)
3898176

$$$$
WAY-297173
csChFnd80/06171916322D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -0.5012    1.0376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7219    0.6617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2402   -0.0003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0564    2.2548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7219   -0.6486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8150    1.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5012   -1.0383    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5195   -0.0245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9219    3.2376    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1919    2.4962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8150   -1.3038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9391    0.6617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1678   -1.1555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9391   -0.6486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4471   -1.1555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5195   -2.2486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7505   -1.1555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0954   -2.2486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  8 13  1  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
  5  7  1  0  0  0  0
 12 14  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (402)
402

>  <Formula> (402)
C13H16N2O2S

>  <MolWeight> (402)
264.34334

>  <COMPOUND_NAME> (402)
WAY-297173

>  <BAR_CODE_NO> (402)
3898181

$$$$
WAY-297182
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
   -1.0310    0.6241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0310   -0.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7138    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2897    0.8483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7138   -0.5517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2897   -0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3690    0.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7138    1.7897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1690    0.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3690   -0.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0310   -1.1517    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.4690    1.7897    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7138    2.5621    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9138    1.7897    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.9483    0.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0517   -0.5207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3310    0.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3310   -0.4517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7379   -0.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1690   -1.2897    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2690   -0.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9379   -1.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4759    0.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2483    0.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6310   -0.4517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2483   -1.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4310   -0.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6621   -1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8103   -1.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4000   -1.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
 29 31  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
 22 23  2  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (403)
403

>  <Formula> (403)
C19H19ClF3N5O2S

>  <MolWeight> (403)
473.8996696

>  <COMPOUND_NAME> (403)
WAY-297182

>  <BAR_CODE_NO> (403)
3898193

$$$$
WAY-297191
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -0.6862    0.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1207    0.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6862    1.5793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3172    0.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -0.7828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9345    0.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9345    1.5793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1379    0.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3138    1.6069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3172   -1.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7379    0.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1379   -0.7828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5621    0.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7379   -0.7724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9862   -1.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3828    0.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5517   -1.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3828   -0.7828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2345   -1.2586    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  9 13  1  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  2  0  0  0  0
 17 19  2  0  0  0  0
 19 20  1  0  0  0  0
  7  8  1  0  0  0  0
 11 13  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (404)
404

>  <Formula> (404)
C16H13FN2O

>  <MolWeight> (404)
268.2856232

>  <COMPOUND_NAME> (404)
WAY-297191

>  <BAR_CODE_NO> (404)
3898210

$$$$
WAY-297192
csChFnd80/06171916322D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -1.1247   -0.5109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3454   -0.0626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9143   -0.0626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1247   -1.4247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4443   -0.5109    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1454    0.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6937   -0.5109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9143   -1.8729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3281   -1.8902    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1063    0.1029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7512    0.9167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6937   -1.4247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4764   -0.0626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0029   -0.0626    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4764   -1.8729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2557   -0.5109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5857    0.6098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2557   -1.4247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4719    0.4340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2925    1.4546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0615    1.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8925    2.1374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7719    1.9719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3684    2.6512    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  2  0  0  0  0
 10 14  1  0  0  0  0
 12 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 17 19  2  0  0  0  0
 17 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
 23 24  1  0  0  0  0
  8 12  1  0  0  0  0
 10 11  1  0  0  0  0
 16 18  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (405)
405

>  <Formula> (405)
C18H11FN2O2S

>  <MolWeight> (405)
338.3555432

>  <COMPOUND_NAME> (405)
WAY-297192

>  <BAR_CODE_NO> (405)
3898211

$$$$
WAY-297196
csChFnd80/06171916322D

 20 23  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0034   -0.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6483    0.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6517    0.6586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6483   -0.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6483   -0.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000    0.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6517    1.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3034    0.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3034   -0.4724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6448   -1.5966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000   -0.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000   -1.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9483    0.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000    1.7828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0172    0.5138    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0172   -0.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9483    1.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4586   -0.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8 16  2  0  0  0  0
  9 17  1  0  0  0  0
 10 18  1  0  0  0  0
 15 19  2  0  0  0  0
 17 20  1  0  0  0  0
  7 12  1  0  0  0  0
  9 10  1  0  0  0  0
 16 19  1  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (406)
406

>  <Formula> (406)
C16H16N2OS

>  <MolWeight> (406)
284.37604

>  <COMPOUND_NAME> (406)
WAY-297196

>  <BAR_CODE_NO> (406)
3898216

$$$$
WAY-297234
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -2.6862    0.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6862    0.9966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9862   -0.1897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3655   -0.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2862    0.9966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3655    1.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2862    0.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0655    0.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0655    0.9966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5483   -0.2172    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1759    0.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9034   -0.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6517    0.1828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9034   -1.0517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3517   -0.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1276    0.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3517   -1.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8483   -0.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1276    0.9448    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.0517   -1.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8345   -1.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  6  9  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  2  0  0  0  0
 18 21  2  0  0  0  0
  5  7  2  0  0  0  0
  8  9  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (407)
407

>  <Formula> (407)
C15H12BrN3OS

>  <MolWeight> (407)
362.24428

>  <COMPOUND_NAME> (407)
WAY-297234

>  <BAR_CODE_NO> (407)
3898282

$$$$
WAY-297239
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
    0.0345    0.1448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0345   -0.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7138    0.5241    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.7241    0.3862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7138   -1.0552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7241   -0.8966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3931    0.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7138    1.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1655   -0.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3931   -0.6552    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.5138    1.3241    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0862    1.3241    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.7138    2.1034    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9655   -0.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0759   -1.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3448    0.4034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3448   -0.9552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7552   -0.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0759   -1.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1448    0.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4345   -1.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7552   -2.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5448    1.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4345   -1.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1138   -0.6552    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.2448    1.8241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3241    1.1241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1138   -2.2345    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.8552    2.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5069    1.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  2  0  0  0  0
 20 23  1  0  0  0  0
 21 24  2  0  0  0  0
 21 25  1  0  0  0  0
 23 26  2  0  0  0  0
 23 27  1  0  0  0  0
 24 28  1  0  0  0  0
 26 29  1  0  0  0  0
 27 30  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
 22 24  1  0  0  0  0
 29 30  2  0  0  0  0
M  END
>  <Mol_ID> (408)
408

>  <Formula> (408)
C19H15Cl2F3N4O2

>  <MolWeight> (408)
459.2492096

>  <COMPOUND_NAME> (408)
WAY-297239

>  <BAR_CODE_NO> (408)
3898290

$$$$
WAY-297242
csChFnd80/06171916322D

 33 36  0  0  0  0  0  0  0  0999 V2000
    2.4931   -1.5622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2586   -1.6104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2793   -2.4691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7276   -0.3518    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5966   -2.7035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8034   -0.5553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4759   -2.2656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9207   -3.6449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6793    0.2620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6345   -2.7035    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1793   -3.7863    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3966   -0.2587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2759   -3.1484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8793   -1.1346    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7069   -4.5415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2655   -1.6518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9138   -4.3070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4207   -1.6518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6517   -0.6173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0069   -0.6173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2897    0.4206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4207    0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0483    1.3965    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6793    2.4516    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0310    2.0447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0897    0.8275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0897    3.4482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8897    3.4861    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7207    4.5033    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3483    4.5861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1069    5.5413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9517    5.5861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1483    4.6482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  2  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
 10 16  1  0  0  0  0
 13 17  1  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 23 26  2  0  0  0  0
 24 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  2  0  0  0  0
 28 30  2  0  0  0  0
 29 31  1  0  0  0  0
 30 32  1  0  0  0  0
 30 33  1  0  0  0  0
  6  9  1  0  0  0  0
 15 17  2  0  0  0  0
 21 22  1  0  0  0  0
 31 32  2  0  0  0  0
M  END
>  <Mol_ID> (409)
409

>  <Formula> (409)
C22H18ClN5O4S

>  <MolWeight> (409)
483.92742

>  <COMPOUND_NAME> (409)
WAY-297242

>  <BAR_CODE_NO> (409)
3898296

$$$$
WAY-297246
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -0.2207    0.8829    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6241    1.9863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5207    1.2863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2241   -0.4137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0207    1.9863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2207    3.1794    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5207    2.7346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7207    0.5898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7724   -1.4585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7207    0.7829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7207    3.1967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7690    3.3346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8897    1.2863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1207   -1.1620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3207   -2.7758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1172    0.7829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1172    3.1967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8897    2.6863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0655   -2.1758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2724   -3.8068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8172    1.9863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8172   -0.4137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6207   -3.5240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4103   -1.9102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2138    1.9863    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1172   -1.6447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5690   -4.5551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3655   -2.9240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9103    0.7829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1517   -5.9033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  2  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 11 17  2  0  0  0  0
 12 18  1  0  0  0  0
 14 19  1  0  0  0  0
 15 20  2  0  0  0  0
 16 21  2  0  0  0  0
 16 22  1  0  0  0  0
 19 23  2  0  0  0  0
 19 24  1  0  0  0  0
 21 25  1  0  0  0  0
 22 26  1  0  0  0  0
 23 27  1  0  0  0  0
 24 28  1  0  0  0  0
 25 29  1  0  0  0  0
 27 30  1  0  0  0  0
  6  7  1  0  0  0  0
 13 18  2  0  0  0  0
 17 21  1  0  0  0  0
 20 23  1  0  0  0  0
M  END
>  <Mol_ID> (410)
410

>  <Formula> (410)
C24H24N2O4

>  <MolWeight> (410)
404.45836

>  <COMPOUND_NAME> (410)
WAY-297246

>  <BAR_CODE_NO> (410)
3898302

$$$$
WAY-297247
csChFnd80/06171916322D

 28 30  0  0  0  0  0  0  0  0999 V2000
    1.5103    0.4586    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.7966    0.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5103    1.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2310    0.0552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7966   -0.7828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0828    0.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2207    1.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7966    1.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9483    0.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0828   -1.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6276    0.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9345    1.2966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2207    2.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7931    2.5310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0793    1.2862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6586    0.0690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6276   -0.7828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0828   -2.0207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5103    2.9448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3448   -1.1931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6276   -2.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0586   -0.7828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7793   -1.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0586    0.0448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5276   -0.8655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8586   -2.0207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0793   -1.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6655   -2.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  2  0  0  0  0
  9 16  2  0  0  0  0
 10 17  1  0  0  0  0
 10 18  1  0  0  0  0
 14 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  2  0  0  0  0
 23 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
  9 12  1  0  0  0  0
 11 17  2  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <Mol_ID> (411)
411

>  <Formula> (411)
C19H18N2O7

>  <MolWeight> (411)
386.35542

>  <COMPOUND_NAME> (411)
WAY-297247

>  <BAR_CODE_NO> (411)
3898303

$$$$
WAY-297248
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -2.5172   -0.5207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6724   -0.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7759    0.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5172   -2.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6724    1.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7414   -0.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5172    1.5379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2931    0.4690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9517   -2.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7414    1.7828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8069   -0.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8586    1.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000   -1.7552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8069    1.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0966    1.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6966    2.7690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0241   -1.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9207    0.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7552    2.9379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7655   -0.5207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7655   -2.9931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1414    1.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3207    2.9379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1655   -0.5207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2483   -2.9931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9069   -1.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1414   -1.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  2  0  0  0  0
 12 15  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  1  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
 17 20  1  0  0  0  0
 17 21  2  0  0  0  0
 18 22  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  2  0  0  0  0
 21 25  1  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
  5  7  1  0  0  0  0
 11 14  1  0  0  0  0
 22 23  2  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <Mol_ID> (412)
412

>  <Formula> (412)
C21H19N3O3

>  <MolWeight> (412)
361.39386

>  <COMPOUND_NAME> (412)
WAY-297248

>  <BAR_CODE_NO> (412)
3898305

$$$$
WAY-297254
csChFnd80/06171916322D

 15 16  0  0  0  0  0  0  0  0999 V2000
    0.2826    1.0030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9209    0.3065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4860    0.3065    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5722    2.3617    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9209   -1.0832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1243    1.0030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5205    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4860   -1.0832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9550    2.5065    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1243   -1.7797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3278    0.3065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8791    0.9479    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.6895   -1.7797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3278   -1.0832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1243   -3.1694    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
 10 14  2  0  0  0  0
 10 15  1  0  0  0  0
  7  9  1  0  0  0  0
 11 14  1  0  0  0  0
M  END
>  <Mol_ID> (413)
413

>  <Formula> (413)
C10H10ClN3S

>  <MolWeight> (413)
239.7245

>  <COMPOUND_NAME> (413)
WAY-297254

>  <BAR_CODE_NO> (413)
3898314

$$$$
WAY-297267
csChFnd80/06171916322D

 31 33  0  0  0  0  0  0  0  0999 V2000
   -0.3828   -0.0483    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.2586    0.3310    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.3828   -0.7897    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.0414    0.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8966   -0.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2586    1.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2586   -1.1690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8621   -1.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1241   -0.6690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7034   -0.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0414    1.1103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8966   -0.7897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5586    0.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8966    1.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3828    1.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3414   -1.9483    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2828   -1.8483    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4414   -0.8897    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8621   -0.7483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3621    0.3517    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5586   -1.1897    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2172    0.7517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8966    2.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5586    1.0724    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.3828    2.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6034   -0.8276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9241   -0.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2172   -0.8069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2586    2.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8759   -1.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5172   -0.8069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  2  0  0  0  0
  5 12  2  0  0  0  0
  5 13  1  0  0  0  0
  6 14  2  0  0  0  0
  6 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
 10 19  2  0  0  0  0
 10 20  1  0  0  0  0
 12 21  1  0  0  0  0
 13 22  3  0  0  0  0
 14 23  1  0  0  0  0
 14 24  1  0  0  0  0
 15 25  2  0  0  0  0
 19 26  1  0  0  0  0
 20 27  1  0  0  0  0
 21 28  1  0  0  0  0
 23 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  2  0  0  0  0
  7 12  1  0  0  0  0
 25 29  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <Mol_ID> (414)
414

>  <Formula> (414)
C21H16ClF3N2O2S2

>  <MolWeight> (414)
484.9421496

>  <COMPOUND_NAME> (414)
WAY-297267

>  <BAR_CODE_NO> (414)
3898334

$$$$
WAY-297278
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
   -0.5310    0.8172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5310    1.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1690    0.5966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8897    0.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1690    1.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8897    1.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1897    0.8172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2517    0.8172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1897    1.2379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1690    1.8552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2517    1.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5690    0.5966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6103    1.4552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5690    0.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1000    1.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2103   -0.0448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9310   -0.0448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2103   -0.4448    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.9310   -0.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1690   -0.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5690   -0.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3103   -0.6655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1690   -1.0828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5310   -0.4448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1897   -1.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1897   -1.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5483   -1.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5483   -1.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9310   -1.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9310   -1.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3897   -2.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  2  0  0  0  0
 20 23  1  0  0  0  0
 20 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 26 28  2  0  0  0  0
 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
 19 21  1  0  0  0  0
 29 30  2  0  0  0  0
M  END
>  <Mol_ID> (415)
415

>  <Formula> (415)
C22H22N6O3

>  <MolWeight> (415)
418.44848

>  <COMPOUND_NAME> (415)
WAY-297278

>  <BAR_CODE_NO> (415)
3898353

$$$$
WAY-297284
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -0.2966   -0.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8172   -0.4828    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0241   -0.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0759   -1.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3552   -0.4207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8759   -1.0034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7552    0.0586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5448   -0.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4448   -1.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6759   -0.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5379    0.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8621    0.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7448   -0.6621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1966   -0.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0552    0.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4034    0.1793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6621    0.7379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3966   -0.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7241    0.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9172   -0.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5241    1.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2448    0.5172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8448    1.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5621    0.9586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3621    1.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 17  2  0  0  0  0
 14 18  1  0  0  0  0
 16 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  2  0  0  0  0
  9 13  1  0  0  0  0
 15 18  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (416)
416

>  <Formula> (416)
C18H21N3O3S

>  <MolWeight> (416)
359.44264

>  <COMPOUND_NAME> (416)
WAY-297284

>  <BAR_CODE_NO> (416)
3898360

$$$$
WAY-297285
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
    0.0759   -0.9414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5724   -1.2241    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1276   -0.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6103   -1.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2103   -1.5241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8724   -0.6034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2724   -1.8655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7276    0.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2276   -1.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2724   -2.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7103   -1.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7759    0.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3103   -0.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8241   -2.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3724   -1.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3759    1.0345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1897    1.0759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4448   -2.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7103   -1.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4034    1.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8276    2.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9897    2.0345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8552    2.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0276    2.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4552    3.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2759    3.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  2  0  0  0  0
 23 26  1  0  0  0  0
  9 13  1  0  0  0  0
 18 19  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (417)
417

>  <Formula> (417)
C19H23N3O3S

>  <MolWeight> (417)
373.46922

>  <COMPOUND_NAME> (417)
WAY-297285

>  <BAR_CODE_NO> (417)
3898361

$$$$
WAY-297292
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -0.3207   -0.9483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3207   -0.1276    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.3931   -1.3517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0310   -0.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3207   -1.7724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9069    0.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1034   -0.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1034   -0.9483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7379   -0.9483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0310   -2.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6966    1.2586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7000    0.2483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8172   -1.3621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7310   -1.7724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1034    1.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6793    0.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3138    2.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4793    1.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1034    2.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6931    1.8966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
  8 13  2  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
  7  8  1  0  0  0  0
 10 14  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (418)
418

>  <Formula> (418)
C16H19NO3

>  <MolWeight> (418)
273.32696

>  <COMPOUND_NAME> (418)
WAY-297292

>  <BAR_CODE_NO> (418)
3898372

$$$$
WAY-297294
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -3.0345   -0.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0414   -1.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3138    0.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7483    0.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3276   -1.4241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7448   -1.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5862   -0.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3138    1.0793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4655   -0.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5862   -1.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4655   -1.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8621    0.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8690   -1.4379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1414   -0.1793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8621    1.0655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5793    0.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2897   -0.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0034    0.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7069   -0.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9966    1.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4138    0.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7069    1.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4172    1.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1310   -0.1931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1345    1.4552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1276   -1.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8483    1.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
 10 13  2  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
 21 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
  7 10  1  0  0  0  0
  9 11  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (419)
419

>  <Formula> (419)
C20H20N2O5

>  <MolWeight> (419)
368.3832

>  <COMPOUND_NAME> (419)
WAY-297294

>  <BAR_CODE_NO> (419)
3898375

$$$$
WAY-297306
csChFnd80/06171916322D

 34 38  0  0  0  0  0  0  0  0999 V2000
    0.8425    1.1648    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8425    0.4855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4425    1.5096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2045    1.3648    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2045    0.2648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4425    0.1476    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0252    1.1648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4425    2.1855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1955    0.8269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0127   -0.3904    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0252    0.4855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7666    2.1855    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.4425    2.8648    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.1252    2.1855    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8748    0.8269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6045    0.1476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2127    0.2476    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2127    1.4096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2390    0.4096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6666   -0.5248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8955    0.2476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8748   -0.3524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6666   -0.0869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3390   -0.6662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2334   -0.3524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2127   -0.9352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8955   -0.9352    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2334   -1.5145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9127   -1.5145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8955   -2.0904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2575   -2.0904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2334   -2.6904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9127   -2.6904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2575   -3.2904    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 11 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 17 22  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
 22 26  1  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
 29 31  2  0  0  0  0
 30 32  1  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
  5  9  1  0  0  0  0
  7 11  1  0  0  0  0
 23 24  2  0  0  0  0
 26 27  1  0  0  0  0
 32 33  2  0  0  0  0
M  END
>  <Mol_ID> (420)
420

>  <Formula> (420)
C22H16ClF4N5O2

>  <MolWeight> (420)
493.8413528

>  <COMPOUND_NAME> (420)
WAY-297306

>  <BAR_CODE_NO> (420)
3898391

$$$$
WAY-297314
csChFnd80/06171916322D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -0.0759   -0.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0759    0.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7828   -0.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6379   -0.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6414    0.9759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7828    0.9759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7828   -1.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5103   -0.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6379   -1.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3483   -0.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6414    1.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7897    1.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0759   -1.9103    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -1.9103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2207    0.1448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3483   -1.9103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0655    0.1517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0724    2.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3517    2.2172    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  3  0  0  0  0
  9 16  1  0  0  0  0
 10 17  3  0  0  0  0
 11 18  2  0  0  0  0
 11 19  1  0  0  0  0
  9 13  1  0  0  0  0
 12 18  1  0  0  0  0
M  END
>  <Mol_ID> (421)
421

>  <Formula> (421)
C13H9BrN4S

>  <MolWeight> (421)
333.20636

>  <COMPOUND_NAME> (421)
WAY-297314

>  <BAR_CODE_NO> (421)
3898403

$$$$
WAY-297315
csChFnd80/06171916322D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -0.0076   -0.4131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0180    0.7214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9904   -1.0303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9751   -0.9269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9648    1.2835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9801    1.2835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9352   -2.1407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9938   -0.5096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0096   -2.0614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9268   -0.3441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9648    2.4076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9801    2.4076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0613   -2.6579    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8835   -2.7510    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9904    0.0111    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0062   -2.5889    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8855    0.2421    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0076    2.9697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0076    4.0973    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  3  0  0  0  0
  9 16  1  0  0  0  0
 10 17  3  0  0  0  0
 11 18  1  0  0  0  0
 18 19  1  0  0  0  0
  9 13  1  0  0  0  0
 12 18  2  0  0  0  0
M  END
>  <Mol_ID> (422)
422

>  <Formula> (422)
C13H9FN4S

>  <MolWeight> (422)
272.3007632

>  <COMPOUND_NAME> (422)
WAY-297315

>  <BAR_CODE_NO> (422)
3898404

$$$$
WAY-297334
csChFnd80/06171916322D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -1.0957    1.4960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0957    2.2670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4477    1.1120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7467    1.1300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7467    2.6300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2003    1.4960    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4477    0.3800    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4007    2.2670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4477    2.6630    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.4007    1.4960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0487    2.6630    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4603   -2.2570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1853   -0.0040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8273   -1.8730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4483   -2.9980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1173   -1.8940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1853   -0.7540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8273   -1.1290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7653   -2.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0963   -3.3940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7653   -3.0280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  2  0  0  0  0
  7  3  1  0  0  0  0
  8 10  1  0  0  0  0
  9  2  1  0  0  0  0
 10  4  2  0  0  0  0
 11  8  1  0  0  0  0
 12 14  1  0  0  0  0
 13  7  1  0  0  0  0
 14 18  1  0  0  0  0
 12 15  2  0  0  0  0
 16 12  1  0  0  0  0
 17 13  1  0  0  0  0
 18 17  1  0  0  0  0
 19 16  2  0  0  0  0
 20 15  1  0  0  0  0
 21 19  1  0  0  0  0
  5  8  2  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (423)
423

>  <Formula> (423)
C17H17Cl2NO

>  <MolWeight> (423)
322.22898

>  <COMPOUND_NAME> (423)
WAY-297334

>  <BAR_CODE_NO> (423)
3898431

$$$$
WAY-297355
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -1.8444   -0.6720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8444    0.3694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9375   -1.1962    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7547   -1.2065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9547    0.8901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7547    0.8901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0375   -0.6720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9375   -2.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6547   -0.6824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0409    0.3866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9547    1.9349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6547    0.3590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8625   -1.1893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8375   -2.7582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8591    0.9073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8375   -3.8030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7444   -2.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7660    0.3866    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8487    1.9487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6660    0.9107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6660    1.8590    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4798    0.4383    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.3039    1.8590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3039    0.9107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0349    2.6038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
 10 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 15 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
  7 10  1  0  0  0  0
  9 12  2  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (424)
424

>  <Formula> (424)
C18H19N3O3S

>  <MolWeight> (424)
357.42676

>  <COMPOUND_NAME> (424)
WAY-297355

>  <BAR_CODE_NO> (424)
3898462

$$$$
WAY-297359
csChFnd80/06171916322D

 34 37  0  0  0  0  0  0  0  0999 V2000
   -1.5897    0.3690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3586    0.5759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1931   -0.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0586    0.9586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9207    0.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5586    1.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4172   -0.1517    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.5897   -1.0034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3345    0.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2759    1.7276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6897    0.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3241    1.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0172   -0.8379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8931    1.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6621   -0.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7724   -0.8379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6621    1.2138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2241   -0.9931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3345   -1.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4517    1.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9069   -0.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8483    1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6966   -0.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9034    0.1931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6379    1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3793   -0.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6931   -1.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0586   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3724   -1.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0586   -1.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8483   -0.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0517    0.1690    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.6379   -0.5966    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.2345   -1.2793    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
 23 26  1  0  0  0  0
 23 27  2  0  0  0  0
 26 28  2  0  0  0  0
 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 31 34  1  0  0  0  0
  7  9  1  0  0  0  0
 12 14  2  0  0  0  0
 19 21  1  0  0  0  0
 29 30  2  0  0  0  0
M  END
>  <Mol_ID> (425)
425

>  <Formula> (425)
C25H27F3N2O4

>  <MolWeight> (425)
476.4880896

>  <COMPOUND_NAME> (425)
WAY-297359

>  <BAR_CODE_NO> (425)
3898468

$$$$
WAY-297360
csChFnd80/06171916322D

 18 19  0  0  0  0  0  0  0  0999 V2000
    0.9759   -0.6483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4552   -0.4276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1759   -1.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4172   -0.2897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3552    0.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7172   -1.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8759   -0.6103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1621    0.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7931    0.4621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0759   -1.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6069   -0.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2621    0.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1345    0.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7828    1.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2241    0.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7690    0.9103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1828    0.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7069    0.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  2  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
  6  7  1  0  0  0  0
 14 15  2  0  0  0  0
M  END
>  <Mol_ID> (426)
426

>  <Formula> (426)
C13H14N2O3

>  <MolWeight> (426)
246.26186

>  <COMPOUND_NAME> (426)
WAY-297360

>  <BAR_CODE_NO> (426)
3898469

$$$$
WAY-297374
csChFnd80/06171916322D

 23 26  0  0  0  0  0  0  0  0999 V2000
   -2.2828    0.9379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1621    1.5759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2828   -0.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3966    1.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0448    0.9379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1621    2.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1621   -0.9897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3621   -0.9897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3966    2.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5207    0.9379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0448   -0.3517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0655    1.5759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2828    3.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1621   -2.2621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5207   -0.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0655   -1.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1862   -0.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000   -1.0517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000   -2.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4172   -0.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3862   -2.9517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5379   -1.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5379   -2.3517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
  6 13  1  0  0  0  0
  7 14  2  0  0  0  0
  8 15  1  0  0  0  0
 11 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
  7 11  1  0  0  0  0
  9 13  2  0  0  0  0
 10 15  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (427)
427

>  <Formula> (427)
C18H19N3O2

>  <MolWeight> (427)
309.36236

>  <COMPOUND_NAME> (427)
WAY-297374

>  <BAR_CODE_NO> (427)
3898485

$$$$
WAY-297405
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -0.3813    0.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0093    0.7278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9513    0.4908    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9123    1.0878    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2103   -0.3282    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6027    0.6978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3363    1.2408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6393   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9447    1.1928    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4583    0.2028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8817    0.1698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2213   -0.5832    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4863   -1.3332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5417    1.1538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7357    1.1088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3567    1.1088    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.8177    0.6288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8687    1.6728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4657    1.6338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4177    0.5748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9893    0.4908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4583   -0.4122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9123   -1.7472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0777   -1.4892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9893   -0.7212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7773   -2.3262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2307   -2.0712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5143    0.2028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5143   -0.4122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1803   -2.4762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  6  1  0  0  0  0
 10  3  1  0  0  0  0
 11  6  2  0  0  0  0
 12  8  2  0  0  0  0
 13  8  1  0  0  0  0
 14  9  1  0  0  0  0
 15 19  1  0  0  0  0
 16 15  1  0  0  0  0
 14 17  2  0  0  0  0
 18 14  1  0  0  0  0
 19 18  2  0  0  0  0
 20 17  1  0  0  0  0
 10 21  2  0  0  0  0
 22 10  1  0  0  0  0
 13 23  2  0  0  0  0
 24 13  1  0  0  0  0
 25 22  2  0  0  0  0
 26 23  1  0  0  0  0
 27 24  2  0  0  0  0
 28 21  1  0  0  0  0
 29 25  1  0  0  0  0
 30 27  1  0  0  0  0
  7  4  2  0  0  0  0
 28 29  2  0  0  0  0
 26 30  2  0  0  0  0
 20 15  2  0  0  0  0
M  END
>  <Mol_ID> (428)
428

>  <Formula> (428)
C23H17ClN4O2

>  <MolWeight> (428)
416.85968

>  <COMPOUND_NAME> (428)
WAY-297405

>  <BAR_CODE_NO> (428)
3898525

$$$$
WAY-297423
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
    3.0311   -0.1313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6691   -0.1313    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4484    1.1963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9415   -1.1106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2484    1.1652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8622   -1.2865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3346    1.9687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7829    1.4825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2760   -0.8313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5033   -1.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4553   -2.5486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6898    0.4618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0654    0.1135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4723    0.2514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2344   -0.8658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0240    1.5135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6344   -0.7313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6413   -2.1279    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.3861    1.6480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1930    0.4997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5861    0.6066    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  2  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
  5  7  1  0  0  0  0
  9 12  2  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (429)
429

>  <Formula> (429)
C16H13Cl2NO2

>  <MolWeight> (429)
322.18592

>  <COMPOUND_NAME> (429)
WAY-297423

>  <BAR_CODE_NO> (429)
3898547

$$$$
WAY-297429
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -0.4345   -0.9925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9862   -1.9339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9966   -0.0339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6552   -0.9925    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0759   -1.9339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4345   -2.8822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0655   -0.0339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4448    0.9075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1931   -0.0442    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6138   -0.9925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6138   -2.8822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9966   -3.8339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6138    0.9075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0069    1.8661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7552    0.9075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2448    0.5075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1552   -0.5925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0655   -3.8339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0552    1.8661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2034    1.8558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8448    0.9075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7655    2.8075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3862    1.8558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8345    2.8075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3655    3.7868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 14  2  0  0  0  0
  9 15  1  0  0  0  0
  9 16  2  0  0  0  0
  9 17  2  0  0  0  0
 11 18  2  0  0  0  0
 13 19  2  0  0  0  0
 15 20  2  0  0  0  0
 15 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
 24 25  1  0  0  0  0
  7 10  1  0  0  0  0
 12 18  1  0  0  0  0
 14 19  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (430)
430

>  <Formula> (430)
C20H17NO3S

>  <MolWeight> (430)
351.41888

>  <COMPOUND_NAME> (430)
WAY-297429

>  <BAR_CODE_NO> (430)
3898554

$$$$
WAY-297438
csChFnd80/06171916322D

 29 31  0  0  0  0  0  0  0  0999 V2000
   -2.0207    0.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7207    0.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1207    1.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2379    0.1931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4207    0.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -0.7690    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4207    1.9103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5379    0.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1000    0.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8379   -0.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6379    1.5517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4793    2.7724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2621    0.3724    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5586    3.6310    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3379    2.7138    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6207    2.8517    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.3621   -0.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1414   -0.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2414   -1.6897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414   -0.3276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0414   -2.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7207   -1.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1414   -2.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -1.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6414   -0.6690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9207   -3.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6000   -2.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3414   -0.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2621    0.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
 22 25  1  0  0  0  0
 23 26  1  0  0  0  0
 24 27  1  0  0  0  0
 25 28  1  0  0  0  0
 28 29  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <Mol_ID> (431)
431

>  <Formula> (431)
C19H16F3N3O2S2

>  <MolWeight> (431)
439.4744496

>  <COMPOUND_NAME> (431)
WAY-297438

>  <BAR_CODE_NO> (431)
3898565

$$$$
WAY-297454
csChFnd80/06171916322D

 22 25  0  0  0  0  0  0  0  0999 V2000
   -1.1792   -0.2100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1929    0.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1792   -1.2618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2481    0.3175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7930   -0.7480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6447    1.0762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1929   -1.5825    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2481   -1.8100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6554   -0.2100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2481    1.3796    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8447   -0.6549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6792    1.1762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6554   -1.2618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5657    0.2900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2930    0.3003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4899   -0.2238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5657    1.3279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3830    0.3003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4554    1.9175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3312    1.3693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3209   -0.1928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3209   -1.3997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
  5  7  1  0  0  0  0
  9 13  1  0  0  0  0
 12 15  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (432)
432

>  <Formula> (432)
C17H16N2O2S

>  <MolWeight> (432)
312.38614

>  <COMPOUND_NAME> (432)
WAY-297454

>  <BAR_CODE_NO> (432)
3898586

$$$$
WAY-297462
csChFnd80/06171916322D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -1.7897   -0.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0690   -0.5586    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4931   -0.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7793    0.6828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3552   -0.1448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4897   -1.2690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6655   -1.2690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2069   -0.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4931    1.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3552   -0.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2138    0.6828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0690   -0.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9276    1.0966    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.7862   -0.5414    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -0.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    0.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2103   -0.5310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2069    1.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9310   -0.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9241    0.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
  9 11  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (433)
433

>  <Formula> (433)
C13H13ClN2O2S2

>  <MolWeight> (433)
328.83752

>  <COMPOUND_NAME> (433)
WAY-297462

>  <BAR_CODE_NO> (433)
3898594

$$$$
WAY-297464
csChFnd80/06171916322D

 31 35  0  0  0  0  0  0  0  0999 V2000
   -0.5768   -0.1464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6024   -0.1464    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0024   -0.4922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5768    0.5286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0024    0.8703    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6024    0.5286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1601   -0.4922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1601    0.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7393    0.5286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7393   -0.1464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2024   -0.4922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0024   -1.1922    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2024    0.8703    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5226   -1.0714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5226   -0.6714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2232   -1.1922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1601    1.5536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8024    1.8911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3226    0.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3607    2.9161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2232    1.5536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7774    2.5786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6232   -1.5297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8024   -1.5297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0768   -1.5922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4768   -1.3464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7393    1.8911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3226    1.5536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6399   -2.2089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8024   -2.2089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2232   -2.5464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  1  1  0  0  0  0
  8  4  1  0  0  0  0
  9 10  1  0  0  0  0
 10  7  1  0  0  0  0
 11  2  1  0  0  0  0
 12  3  2  0  0  0  0
 13  6  1  0  0  0  0
 14  7  1  0  0  0  0
 15  7  1  0  0  0  0
 16 11  1  0  0  0  0
 17  8  1  0  0  0  0
 18 21  1  0  0  0  0
 19  9  1  0  0  0  0
 20 22  1  0  0  0  0
 21 13  1  0  0  0  0
 22 18  1  0  0  0  0
 23 16  2  0  0  0  0
 24 16  1  0  0  0  0
 25 14  1  0  0  0  0
 26 15  1  0  0  0  0
 27 17  2  0  0  0  0
 28 19  2  0  0  0  0
 29 23  1  0  0  0  0
 30 24  2  0  0  0  0
 31 30  1  0  0  0  0
 25 26  1  0  0  0  0
  8  9  2  0  0  0  0
  2  6  1  0  0  0  0
 27 28  1  0  0  0  0
 31 29  2  0  0  0  0
M  END
>  <Mol_ID> (434)
434

>  <Formula> (434)
C26H29N3O2

>  <MolWeight> (434)
415.52736

>  <COMPOUND_NAME> (434)
WAY-297464

>  <BAR_CODE_NO> (434)
3898597

$$$$
WAY-297807
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
    0.1796   -0.1996    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5376   -0.5996    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1417    0.6176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9141   -0.5893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3583   -0.6341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7376   -1.3996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1066   -1.3341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417    1.0487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6141   -0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7859    0.1004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7825   -1.3513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5796    0.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6307    0.0797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5997   -1.3513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3003    1.0659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0307   -0.6513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9141    0.7797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2520    2.0797    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8480   -0.6513    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5934    1.2107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9520   -0.0341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2583    0.0487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3175    0.8487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6693   -0.3996    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0963    0.0280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8583    0.7487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3624    0.0280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  8 12  1  0  0  0  0
 10 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  2  0  0  0  0
 17 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  2  0  0  0  0
 22 25  1  0  0  0  0
 22 26  2  0  0  0  0
 23 27  2  0  0  0  0
  9 12  1  0  0  0  0
 14 16  2  0  0  0  0
 24 27  1  0  0  0  0
M  END
>  <Mol_ID> (435)
435

>  <Formula> (435)
C18H20N4O4S

>  <MolWeight> (435)
388.4408

>  <COMPOUND_NAME> (435)
WAY-297807

>  <BAR_CODE_NO> (435)
3899056

$$$$
WAY-297808
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -1.8414   -0.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0414   -0.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414   -1.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5655    0.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5552   -0.8138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7931    0.6483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0414   -1.4931    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5655   -1.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2793   -0.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0069    0.8241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6103   -2.0690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4103   -1.8172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2793   -1.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2586    1.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5586    0.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0586    1.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3655    0.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6207    1.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4276    1.3483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9828    0.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7828    0.9103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7276   -0.0448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0345    1.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  2  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  2  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
  5  7  1  0  0  0  0
  9 13  2  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (436)
436

>  <Formula> (436)
C16H14N2O4S

>  <MolWeight> (436)
330.35836

>  <COMPOUND_NAME> (436)
WAY-297808

>  <BAR_CODE_NO> (436)
3899058

$$$$
WAY-297520-A
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
    1.5172    0.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0276   -0.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3414   -0.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1793    0.7897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000   -0.6345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2828   -1.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8276    0.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6759    1.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0586   -1.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6172   -1.9103    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    1.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6483    0.5207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8448   -1.6793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9862    2.0414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1379    1.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4621   -1.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8069    1.9448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2552   -1.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2931   -0.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8655   -0.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9034    0.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6931   -0.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3069    0.5517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0931    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7069    0.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2655   -0.5103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
  9 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (437)
437

>  <Formula> (437)
C19H19N3O3S

>  <MolWeight> (437)
369.43746

>  <COMPOUND_NAME> (437)
WAY-297520-A

>  <BAR_CODE_NO> (437)
3898674

$$$$
WAY-297561
csChFnd80/06171916322D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -1.6756    0.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6756   -0.3929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7790    1.5243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5755    1.5243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5755   -1.0239    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7790   -1.0239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9066    0.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7790    2.8174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5280    0.9002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5280   -0.3929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9066   -0.3929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6763   -1.0239    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3583   -1.6515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1756    0.0174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7797   -0.3619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8866   -1.0239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7797    0.9002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0107   -0.3619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8970   -1.1205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1004   -0.7136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
  7 11  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <Mol_ID> (438)
438

>  <Formula> (438)
C15H21N3O2

>  <MolWeight> (438)
275.34614

>  <COMPOUND_NAME> (438)
WAY-297561

>  <BAR_CODE_NO> (438)
3898727

$$$$
WAY-297563
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.1599    0.3174    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0919   -0.4653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9841    0.3174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5091    0.8036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5702   -0.9446    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9126   -0.4619    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2357   -0.4653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5358    0.9312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1816    0.3140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5091    1.6312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5529   -1.7688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0427   -0.6377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3358    0.7519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9747    0.5485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2229    2.0381    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2082    2.0381    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1643   -2.1722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5944   -0.0239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9367    1.6278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1747   -3.0067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6539    2.0381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8885   -3.4101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  2  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
 15 19  1  0  0  0  0
 17 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
  5  7  1  0  0  0  0
  6  9  1  0  0  0  0
 13 18  2  0  0  0  0
M  END
>  <Mol_ID> (439)
439

>  <Formula> (439)
C17H21N3O2

>  <MolWeight> (439)
299.36754

>  <COMPOUND_NAME> (439)
WAY-297563

>  <BAR_CODE_NO> (439)
3898730

$$$$
WAY-297580
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -1.3897   -0.4862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2103   -0.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9000    0.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9103   -1.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6207   -1.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6207    0.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1207   -0.0724    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.1207   -0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1586   -1.9345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4483   -1.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4345    0.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5483    0.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8517   -0.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3034    0.0724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4655    1.2345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0138    0.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7276    0.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0034    1.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4414    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7103    1.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4276    1.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1517    0.0897    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
 10 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
  7  8  1  0  0  0  0
 11 13  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (440)
440

>  <Formula> (440)
C17H21ClN2O2

>  <MolWeight> (440)
320.81384

>  <COMPOUND_NAME> (440)
WAY-297580

>  <BAR_CODE_NO> (440)
3898749

$$$$
WAY-297596
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -1.9621    1.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9552    0.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5310    1.0897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6759    1.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2379   -0.1517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6621   -0.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5310    0.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3897    1.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2379   -0.9793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3897    0.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1828   -0.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8931    0.2724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6069   -0.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3103    0.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000   -0.9621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0241   -0.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3103    1.0966    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3103   -1.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0241   -0.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3103   -2.2000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 18 20  1  0  0  0  0
  5  7  1  0  0  0  0
  8 10  2  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (441)
441

>  <Formula> (441)
C15H13Cl2N3

>  <MolWeight> (441)
306.18982

>  <COMPOUND_NAME> (441)
WAY-297596

>  <BAR_CODE_NO> (441)
3898772

$$$$
WAY-297603
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.6244   -0.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1859   -0.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3486    0.0899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8762   -1.0929    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6756    0.3657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4445   -1.0964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3762    0.9174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0486   -0.3412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2037   -1.5722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4997    0.2795    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3376    1.1174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2342   -1.3584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0934    1.3071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6658    1.3519    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.7796    0.0588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0279   -1.1688    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.8445   -0.4791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9859    0.9519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8003    0.8657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6721   -0.5584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8135    0.8657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1514    0.1174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  2  0  0  0  0
  8 16  1  0  0  0  0
 10 17  1  0  0  0  0
 10 18  1  0  0  0  0
 13 19  2  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 20 22  1  0  0  0  0
  6  9  1  0  0  0  0
 15 19  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (442)
442

>  <Formula> (442)
C15H14Cl2N2O3

>  <MolWeight> (442)
341.18926

>  <COMPOUND_NAME> (442)
WAY-297603

>  <BAR_CODE_NO> (442)
3898780

$$$$
WAY-297608
csChFnd80/06171916322D

 24 25  0  0  0  0  0  0  0  0999 V2000
    2.4585   -0.0830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5689   -0.0830    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.7413    0.7826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9791   -0.8174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2896    0.7826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0206    1.2826    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5689    1.0826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5896   -1.6278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8689   -0.7381    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4654    1.0826    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0896   -2.3554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3587    1.3929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9827   -2.3036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208    0.8308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5071    2.2550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8485    1.1446    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5416    0.5826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4071   -0.2830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3692    0.9067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0795   -0.8381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0554    0.3343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9071   -0.5312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9347   -1.7174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5932   -1.0830    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
 22 24  1  0  0  0  0
  5  6  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (443)
443

>  <Formula> (443)
C16H17ClN2O4S

>  <MolWeight> (443)
368.83518

>  <COMPOUND_NAME> (443)
WAY-297608

>  <BAR_CODE_NO> (443)
3898785

$$$$
WAY-297609
csChFnd80/06171916322D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -1.2621   -0.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5414   -0.7103    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.9655   -0.7103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2621    0.5276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1724   -0.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5345   -1.5345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6759   -0.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9655   -1.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6862    0.5207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1586    0.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8897   -0.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8655    0.9517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6034   -0.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5897    0.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3034    0.9655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0241    0.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2897    1.7897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
  7  9  2  0  0  0  0
 13 14  2  0  0  0  0
M  END
>  <Mol_ID> (444)
444

>  <Formula> (444)
C13H17N3O

>  <MolWeight> (444)
231.29358

>  <COMPOUND_NAME> (444)
WAY-297609

>  <BAR_CODE_NO> (444)
3898786

$$$$
WAY-297617
csChFnd80/06171916322D

 20 21  0  0  0  0  0  0  0  0999 V2000
    2.2299    4.0592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4136    2.9026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5453    3.6433    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5453    2.2374    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2299    1.7839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7764    5.4199    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.7849    1.5193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9868    2.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4157    5.7297    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.6454    1.5193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7212    6.4554    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9401    0.1586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.9026    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    7.1736    1.5193    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8473    2.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3159    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9868    3.6283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8828    1.2699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4359    2.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7764    0.4535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  2  2  0  0  0  0
  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8  7  1  0  0  0  0
  9  6  1  0  0  0  0
 10 19  1  0  0  0  0
 11  6  2  0  0  0  0
 12 10  1  0  0  0  0
 13  2  1  0  0  0  0
 14  8  1  0  0  0  0
 15 10  2  0  0  0  0
 16 12  1  0  0  0  0
 17  8  2  0  0  0  0
 18 15  1  0  0  0  0
 19 14  1  0  0  0  0
 20  5  1  0  0  0  0
  4  5  1  0  0  0  0
 18 16  2  0  0  0  0
M  END
>  <Mol_ID> (445)
445

>  <Formula> (445)
C11H11BrN4O4

>  <MolWeight> (445)
343.13344

>  <COMPOUND_NAME> (445)
WAY-297617

>  <BAR_CODE_NO> (445)
3898798

$$$$
WAY-297621
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
    0.7103    0.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3241    0.2931    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.4897   -0.4897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1621    0.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5448    0.9103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8897   -0.1207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8586    0.9793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2034   -0.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3897    0.1586    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2103    0.9103    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4138    0.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6241   -0.9690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5897    1.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0586    0.1103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2897   -0.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2586    1.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5103   -0.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7103   -1.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6379    1.9414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1897   -0.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3621   -1.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5897   -0.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2552   -0.5448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6759   -1.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3379   -0.9690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  2  0  0  0  0
 20 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (446)
446

>  <Formula> (446)
C19H24N2O3S

>  <MolWeight> (446)
360.47046

>  <COMPOUND_NAME> (446)
WAY-297621

>  <BAR_CODE_NO> (446)
3898802

$$$$
WAY-297626
csChFnd80/06171916322D

 18 19  0  0  0  0  0  0  0  0999 V2000
    0.2690   -0.7138    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.3310   -0.2931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0276   -1.4034    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.0069   -0.7138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3310    0.4552    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.9517   -0.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7138   -1.4034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6276   -1.8241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2276   -1.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3069    0.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9931    0.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6517   -0.4448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9483   -1.5862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3069    1.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9931    1.5966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6310    0.4552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9483    1.9552    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9483    2.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  9 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  2  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <Mol_ID> (447)
447

>  <Formula> (447)
C9H14N4O4S

>  <MolWeight> (447)
274.29686

>  <COMPOUND_NAME> (447)
WAY-297626

>  <BAR_CODE_NO> (447)
3898809

$$$$
WAY-297643
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    7.1795   -6.2770    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.9335   -5.2925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3950   -5.2615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7075   -6.2875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4410   -7.3025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3950   -9.3540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6615   -6.2770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4410   -9.3540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1795   -8.3180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6410   -8.3180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2255   -6.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9335   -3.2410    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.3025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1950  -10.3490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -9.3540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2255   -4.2565    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1950  -12.3795    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8875   -5.2615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8875   -9.3540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -3.2410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4410  -13.3845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1335   -6.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1335   -8.3180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  9  1  0  0  0  0
  7  3  1  0  0  0  0
  8  5  2  0  0  0  0
  9  1  1  0  0  0  0
 10  6  1  0  0  0  0
 11  5  1  0  0  0  0
 12  2  2  0  0  0  0
 13 11  2  0  0  0  0
 14  8  1  0  0  0  0
 15 13  1  0  0  0  0
 16 11  1  0  0  0  0
 17 14  1  0  0  0  0
 18  7  2  0  0  0  0
 19 10  2  0  0  0  0
 20 16  1  0  0  0  0
 21 17  1  0  0  0  0
 22 18  1  0  0  0  0
 23 19  1  0  0  0  0
  7 10  1  0  0  0  0
 22 23  2  0  0  0  0
 14 15  2  0  0  0  0
M  END
>  <Mol_ID> (448)
448

>  <Formula> (448)
C17H17NO5

>  <MolWeight> (448)
315.32058

>  <COMPOUND_NAME> (448)
WAY-297643

>  <BAR_CODE_NO> (448)
3898834

$$$$
WAY-297656
csChFnd80/06171916322D

 28 30  0  0  0  0  0  0  0  0999 V2000
   -2.1552   -0.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0655    0.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4345   -1.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1034   -0.9793    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9655    0.5931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2172    0.7345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5034   -1.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6172   -0.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2345    1.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3034   -0.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2034   -1.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5966   -0.0931    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1828    1.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6345    0.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1345   -1.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4793    2.7207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8931    1.1069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3552   -0.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8552    1.0724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2828   -0.2448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1345    1.7448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0034   -0.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9207   -0.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6448   -1.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1448    0.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5690   -1.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0690    0.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8034   -0.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  2  0  0  0  0
 13 16  1  0  0  0  0
 13 17  2  0  0  0  0
 14 18  2  0  0  0  0
 14 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  2  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
  5  8  1  0  0  0  0
 15 18  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <Mol_ID> (449)
449

>  <Formula> (449)
C20H17NO5S2

>  <MolWeight> (449)
415.48268

>  <COMPOUND_NAME> (449)
WAY-297656

>  <BAR_CODE_NO> (449)
3898851

$$$$
WAY-297661
csChFnd80/06171916322D

 22 23  0  0  0  0  0  0  0  0999 V2000
    3.6321    3.4578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6321    2.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4126    1.4109    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4126    5.6437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4126    4.1806    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.5101    6.4800    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2107    2.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8427    4.1806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3327    6.0097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8427    1.4109    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0620    4.8601    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1442    7.7691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2107    3.4578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0904    8.1521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2727    1.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2727    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0620    2.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9448    1.9858    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7032    9.0233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5649    0.9144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0193    2.0904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7 13  1  0  0  0  0
  8  1  1  0  0  0  0
  9  4  2  0  0  0  0
 10  2  1  0  0  0  0
 11  8  3  0  0  0  0
 12  6  1  0  0  0  0
 13  5  1  0  0  0  0
 14  9  1  0  0  0  0
 15 18  1  0  0  0  0
 16  7  2  0  0  0  0
 17 15  2  0  0  0  0
 18 10  1  0  0  0  0
 19 15  1  0  0  0  0
 20 12  1  0  0  0  0
 21 19  1  0  0  0  0
 22 21  1  0  0  0  0
  3  7  1  0  0  0  0
 14 12  2  0  0  0  0
M  END
>  <Mol_ID> (450)
450

>  <Formula> (450)
C15H16N2O3S2

>  <MolWeight> (450)
336.42914

>  <COMPOUND_NAME> (450)
WAY-297661

>  <BAR_CODE_NO> (450)
3898858

$$$$
WAY-297667
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -0.8655    0.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0207    0.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0828    1.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4448   -0.1931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0207   -0.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8069    0.8828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9793    1.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3655    2.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8828   -0.9690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6966    0.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1931    2.7483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5828    3.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1448   -1.8793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0172   -0.4310    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4724    1.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4828    3.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0793   -2.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4655   -2.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9690   -0.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2690    0.5069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4552    2.0448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3310   -3.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7276   -3.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5483   -1.1793    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6517   -3.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  2  0  0  0  0
 13 17  1  0  0  0  0
 13 18  2  0  0  0  0
 14 19  1  0  0  0  0
 15 20  1  0  0  0  0
 15 21  2  0  0  0  0
 17 22  2  0  0  0  0
 18 23  1  0  0  0  0
 19 24  2  0  0  0  0
 22 25  1  0  0  0  0
  5  9  1  0  0  0  0
 12 16  1  0  0  0  0
 19 20  1  0  0  0  0
 23 25  2  0  0  0  0
M  END
>  <Mol_ID> (451)
451

>  <Formula> (451)
C19H13N3OS2

>  <MolWeight> (451)
363.45602

>  <COMPOUND_NAME> (451)
WAY-297667

>  <BAR_CODE_NO> (451)
3898866

$$$$
WAY-297696-A
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -1.0931   -0.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8793   -0.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4241   -0.7345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8310    0.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4897    0.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0517   -1.3034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2448   -0.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0034    0.5276    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2759   -0.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8414   -1.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0241   -0.5172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4517   -0.9931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6448    0.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4241   -0.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4759    0.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0448    0.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    1.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8828    1.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    1.6724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  9 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 18 19  1  0  0  0  0
  7  8  1  0  0  0  0
 10 12  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (452)
452

>  <Formula> (452)
C14H11N3OS

>  <MolWeight> (452)
269.32164

>  <COMPOUND_NAME> (452)
WAY-297696-A

>  <BAR_CODE_NO> (452)
3898905

$$$$
WAY-297698
csChFnd80/06171916322D

 24 27  0  0  0  0  0  0  0  0999 V2000
    1.7375   -2.8375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6375   -2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667   -3.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000   -1.9667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4792   -2.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3042   -1.7667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5500   -2.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8292   -2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8500   -3.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1708   -2.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292   -4.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3833   -3.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5667   -2.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000   -3.6375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0292   -2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7667   -2.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2292   -3.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708   -4.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1000   -3.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500   -3.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9792   -3.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4375   -3.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4042   -4.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1542   -4.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  2  0  0  0  0
  8  5  1  0  0  0  0
  9  3  1  0  0  0  0
 10  7  1  0  0  0  0
 11  9  2  0  0  0  0
 12 11  1  0  0  0  0
 13  8  2  0  0  0  0
 14  5  2  0  0  0  0
 15 13  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 11  1  0  0  0  0
 19 12  1  0  0  0  0
 20 17  1  0  0  0  0
 21 17  2  0  0  0  0
 22 21  1  0  0  0  0
 23 20  2  0  0  0  0
 24 22  2  0  0  0  0
  6  8  1  0  0  0  0
  7  4  1  0  0  0  0
 10 12  2  0  0  0  0
 24 23  1  0  0  0  0
M  END
>  <Mol_ID> (453)
453

>  <Formula> (453)
C20H16N2OS

>  <MolWeight> (453)
332.41884

>  <COMPOUND_NAME> (453)
WAY-297698

>  <BAR_CODE_NO> (453)
3928907

$$$$
WAY-297700
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    1.3720   -0.5106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9893   -1.1589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1030   -0.6589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9893    0.1411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5030   -1.7244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375   -1.1589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1893   -1.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6651   -0.1589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375    0.1411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1280   -0.5106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8375   -1.7831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3720   -0.3934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5030    0.5756    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1280    0.7894    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8763    0.7894    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6280    0.7756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8763    0.0411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8763    1.5411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9970    0.1273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0107    1.4273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7487    0.1411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7487    1.4273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1142    0.7756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8659    0.7756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 15 18  2  0  0  0  0
 16 19  2  0  0  0  0
 16 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
 23 24  1  0  0  0  0
  5  7  1  0  0  0  0
  9 10  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (454)
454

>  <Formula> (454)
C18H17NO4S

>  <MolWeight> (454)
343.39688

>  <COMPOUND_NAME> (454)
WAY-297700

>  <BAR_CODE_NO> (454)
3898910

$$$$
WAY-297705
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -1.9310    0.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9310   -0.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6207    0.1690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5828    0.5483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2759   -0.9552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5828   -0.9552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6207   -0.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1310    0.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2310    0.1690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5828    1.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2310   -0.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5828   -1.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0310   -0.9552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000    0.8310    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.8828   -0.9552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2517    0.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1172    1.4759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6310    0.1862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3793    0.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7552   -0.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7517    0.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5034   -0.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    0.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8793    0.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6310    0.2069    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
 11 15  2  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
  5  7  2  0  0  0  0
  9 11  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (455)
455

>  <Formula> (455)
C15H16ClN5O4

>  <MolWeight> (455)
365.77164

>  <COMPOUND_NAME> (455)
WAY-297705

>  <BAR_CODE_NO> (455)
3898917

$$$$
WAY-297707
csChFnd80/06171916322D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -1.6694    0.2691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5797    0.2691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3452    1.1656    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2728   -0.6137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0142    1.2173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0280   -0.6965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3487    0.7932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3487   -0.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1030    1.2070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0755   -0.6965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3038    1.3449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3038   -0.8516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6272    0.2691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2418    0.7932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2418   -0.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7203    0.2691    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2073    1.3449    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2824   -0.6689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3755   -0.6689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6479   -1.6240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9513    0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0444   -1.5516    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0099   -0.0344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0686   -1.1585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  2  0  0  0  0
 11 14  2  0  0  0  0
 12 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
  7  8  2  0  0  0  0
 10 13  1  0  0  0  0
 14 15  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (456)
456

>  <Formula> (456)
C18H11ClN2O2S

>  <MolWeight> (456)
354.81014

>  <COMPOUND_NAME> (456)
WAY-297707

>  <BAR_CODE_NO> (456)
3928919

$$$$
WAY-297716
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
    6.0917   -4.4667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0917   -3.6417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8042   -3.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5167   -3.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3792   -3.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6667   -3.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9167   -4.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6792   -5.0500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2375   -3.2292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3792   -3.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3792   -4.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1667   -3.3917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1667   -4.7375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9500   -3.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6625   -4.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5167   -4.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6542   -4.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3792   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6667   -3.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3792   -4.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9417   -4.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9417   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9417   -3.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6667   -1.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2292   -1.9875    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  6  2  0  0  0  0
  6 14  1  0  0  0  0
  7  1  2  0  0  0  0
  8  1  2  0  0  0  0
  9  4  1  0  0  0  0
 10  2  1  0  0  0  0
 11 17  2  0  0  0  0
 12  5  1  0  0  0  0
 13 11  1  0  0  0  0
 14  9  1  0  0  0  0
 15 12  1  0  0  0  0
 16  4  2  0  0  0  0
 17 21  1  0  0  0  0
 18 10  2  0  0  0  0
 19 10  1  0  0  0  0
 20  1  1  0  0  0  0
 21 14  2  0  0  0  0
 22 23  1  0  0  0  0
 23 19  2  0  0  0  0
 24 18  1  0  0  0  0
 25 22  1  0  0  0  0
 22 24  2  0  0  0  0
  5 11  1  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <Mol_ID> (457)
457

>  <Formula> (457)
C16H15FN2O5S

>  <MolWeight> (457)
366.3641032

>  <COMPOUND_NAME> (457)
WAY-297716

>  <BAR_CODE_NO> (457)
3898929

$$$$
WAY-297724
csChFnd80/06171916322D

 21 22  0  0  0  0  0  0  0  0999 V2000
    2.2169   -0.5411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5445   -0.2169    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8307   -0.1169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2652   -1.2859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8963    0.1589    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2204   -0.8894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8687    0.4589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5169   -0.4514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9445   -1.6169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2514   -0.2376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5687   -1.1894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4037    0.1244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0555   -0.2756    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7175    0.0969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3796   -0.2894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7175    0.8589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0348    0.0969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3796    1.2486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0348    0.8589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6969    1.2244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7037    1.9831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  8 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
  9 11  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (458)
458

>  <Formula> (458)
C15H17NO4S

>  <MolWeight> (458)
307.36478

>  <COMPOUND_NAME> (458)
WAY-297724

>  <BAR_CODE_NO> (458)
3898939

$$$$
WAY-297733
csChFnd80/06171916322D

 14 15  0  0  0  0  0  0  0  0999 V2000
    0.3552    0.1000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.4690    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8379    0.7621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8379   -0.5724    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8828   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8828    0.8103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6276    0.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6172   -0.3138    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.7000   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6966    0.8103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2931    0.9897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2897   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1069    0.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1207   -1.3138    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  2  0  0  0  0
  9 14  1  0  0  0  0
  7  8  1  0  0  0  0
 10 13  1  0  0  0  0
M  END
>  <Mol_ID> (459)
459

>  <Formula> (459)
C10H10ClNOS

>  <MolWeight> (459)
227.7105

>  <COMPOUND_NAME> (459)
WAY-297733

>  <BAR_CODE_NO> (459)
3898954

$$$$
WAY-297748
csChFnd80/06171916322D

 18 19  0  0  0  0  0  0  0  0999 V2000
    0.6970   -0.2726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4073    0.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0203    0.1377    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6901   -1.0933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1176   -0.2830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4107    0.9584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7444   -0.2726    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4004   -1.5071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1176   -1.0933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7004    1.3722    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1280    1.3688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4617    0.1481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3444   -0.9933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1789   -0.9899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5444    0.9757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2306   -0.1864    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3617    1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7824    0.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  7 13  2  0  0  0  0
  7 14  2  0  0  0  0
 12 15  2  0  0  0  0
 12 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
  8  9  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (460)
460

>  <Formula> (460)
C11H10N2O3S2

>  <MolWeight> (460)
282.3387

>  <COMPOUND_NAME> (460)
WAY-297748

>  <BAR_CODE_NO> (460)
3898973

$$$$
WAY-297749
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -0.3138    0.5448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3138   -0.2828    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.3966    0.9517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0276    0.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3966   -0.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0276   -0.6862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1103    0.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3966    1.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7345    0.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0276    1.7897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1103   -0.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3966   -1.5207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7345   -0.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8276    0.9517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1103    2.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4483    0.9552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8207   -0.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1103   -1.9310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4483   -0.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8276    1.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1621    0.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8276   -1.5207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1621   -0.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5379   -1.9310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5379   -2.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  2  0  0  0  0
  9 16  1  0  0  0  0
 11 17  2  0  0  0  0
 12 18  1  0  0  0  0
 13 19  1  0  0  0  0
 14 20  2  0  0  0  0
 16 21  2  0  0  0  0
 17 22  1  0  0  0  0
 19 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
  9 13  2  0  0  0  0
 15 20  1  0  0  0  0
 18 22  2  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (461)
461

>  <Formula> (461)
C21H18N2O2

>  <MolWeight> (461)
330.37982

>  <COMPOUND_NAME> (461)
WAY-297749

>  <BAR_CODE_NO> (461)
3898977

$$$$
WAY-297750
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -2.2759   -0.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2759    1.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0655   -0.9172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4724   -0.9172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4724    1.8621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0655    1.8621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1448   -0.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6828   -0.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6828    1.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4724    3.2586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1448    1.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3552   -0.9172    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0793   -0.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5000   -1.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3552    1.8793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5655   -0.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5655    2.5793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7759   -0.9345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7759   -2.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9862   -0.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9862   -3.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1966   -0.9345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1966   -2.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 15 17  3  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (462)
462

>  <Formula> (462)
C19H18N2OS

>  <MolWeight> (462)
322.42402

>  <COMPOUND_NAME> (462)
WAY-297750

>  <BAR_CODE_NO> (462)
3898979

$$$$
WAY-297759
csChFnd80/06171916322D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.9069    0.0138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9069   -0.5655    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.0931   -0.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1138    1.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7655    0.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9069   -1.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0724    0.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0931   -1.7034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2793    1.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9069   -2.2862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9069   -2.2862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0724    1.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0724   -0.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0724    1.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0724    0.0138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0724    1.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0724    2.8966    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  7 13  2  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
  5  9  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <Mol_ID> (463)
463

>  <Formula> (463)
C11H11BrN2O3

>  <MolWeight> (463)
299.12064

>  <COMPOUND_NAME> (463)
WAY-297759

>  <BAR_CODE_NO> (463)
3898991

$$$$
WAY-297779
csChFnd80/06171916322D

 23 26  0  0  0  0  0  0  0  0999 V2000
    4.1555    3.4651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8278    2.9916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0844    4.1022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2574    2.5800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1555    4.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5451    3.1199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7835    5.2574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6470    2.2613    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6904    4.1022    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7134    4.5007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6374    1.5577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0051    1.1328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1113    5.8281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4428    6.6513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5408    0.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9968    2.7747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6111    0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8326    7.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5270    7.5807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5852    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0766    1.9428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9128    0.5309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  5  2  0  0  0  0
  8  6  1  0  0  0  0
  9  3  2  0  0  0  0
 10  6  2  0  0  0  0
 11  2  1  0  0  0  0
 12  4  2  0  0  0  0
 13  9  1  0  0  0  0
 14  5  1  0  0  0  0
 15  7  1  0  0  0  0
 16  8  1  0  0  0  0
 17  8  1  0  0  0  0
 18 12  1  0  0  0  0
 19 14  2  0  0  0  0
 20 19  1  0  0  0  0
 21 16  1  0  0  0  0
 22 17  1  0  0  0  0
 23 22  1  0  0  0  0
  3  7  1  0  0  0  0
 18 11  2  0  0  0  0
 15 20  2  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (464)
464

>  <Formula> (464)
C19H18N2O2

>  <MolWeight> (464)
306.35842

>  <COMPOUND_NAME> (464)
WAY-297779

>  <BAR_CODE_NO> (464)
3899021

$$$$
WAY-297836
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.9961   -0.4757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6685    0.0071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3305    0.0209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9961   -1.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4167    0.7968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4719   -0.1653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5926    0.7968    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4695   -0.2170    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7098   -1.7136    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2788   -1.7136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9685    1.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0305    0.4450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0695    0.3485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7685    1.2243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8453    0.1209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8695    1.1588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4453    0.6968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0419   -0.6653    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2281    0.4692    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8315   -0.9032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4281   -0.3308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  8 13  1  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
  5  7  1  0  0  0  0
 12 14  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (465)
465

>  <Formula> (465)
C14H14N4O2S

>  <MolWeight> (465)
302.35156

>  <COMPOUND_NAME> (465)
WAY-297836

>  <BAR_CODE_NO> (465)
3899096

$$$$
WAY-297839
csChFnd80/06171916322D

 33 36  0  0  0  0  0  0  0  0999 V2000
    1.9000   -0.2034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9000   -1.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7069    0.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0414    0.0690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7069   -1.5931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0414   -1.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5138   -0.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7069    1.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5103   -0.6828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5138   -1.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7724    1.1828    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.7069    2.0897    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6172    1.1828    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4000   -0.6828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3000   -1.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8724    0.1207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8724   -1.4931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1828   -1.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3000   -2.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8069    0.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6897   -2.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1828   -2.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2621    0.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1655    0.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6207    1.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6483    0.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5552    1.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5552    0.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0103    0.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0379    2.5172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9207    0.9517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9724    2.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5862    0.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  2  0  0  0  0
 27 29  2  0  0  0  0
 27 30  1  0  0  0  0
 29 31  1  0  0  0  0
 30 32  1  0  0  0  0
 31 33  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
 21 22  2  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (466)
466

>  <Formula> (466)
C22H19F3N4O3S

>  <MolWeight> (466)
476.4714696

>  <COMPOUND_NAME> (466)
WAY-297839

>  <BAR_CODE_NO> (466)
3899100

$$$$
WAY-297845
csChFnd80/06171916322D

 24 25  0  0  0  0  0  0  0  0999 V2000
    1.3069    0.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4448   -0.5207    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0448    0.6621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6034    0.7172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2448   -0.6483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6310    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1103    1.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6069   -1.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4207    0.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8172    0.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1172    1.9414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1414   -2.0759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4276   -1.4483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5310    1.1207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4828   -2.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2414    0.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2966   -2.8828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9586    1.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2414   -0.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6690    0.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9586    1.9517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9586   -0.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6690   -0.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3828    1.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  1  0  0  0  0
  8 13  2  0  0  0  0
 10 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  2  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 20 24  1  0  0  0  0
  5  6  2  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (467)
467

>  <Formula> (467)
C17H20N2O4S

>  <MolWeight> (467)
348.4167

>  <COMPOUND_NAME> (467)
WAY-297845

>  <BAR_CODE_NO> (467)
3899107

$$$$
WAY-297847
csChFnd80/06171916322D

 22 23  0  0  0  0  0  0  0  0999 V2000
    0.0448   -0.3034    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.4241    0.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7379   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4138   -1.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3345    0.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0966    1.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0690   -0.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0655    0.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3207   -1.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1000   -1.6759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7828   -0.3103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7552    1.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000    1.7345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7966    1.0517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7276   -0.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7276    0.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6862   -1.5759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5828   -1.9828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9379    1.8172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0655   -0.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2379    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4448   -0.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  2  0  0  0  0
  7 15  1  0  0  0  0
  8 16  2  0  0  0  0
  9 17  1  0  0  0  0
 10 18  3  0  0  0  0
 13 19  1  0  0  0  0
 15 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
  9 11  1  0  0  0  0
 16 20  1  0  0  0  0
M  END
>  <Mol_ID> (468)
468

>  <Formula> (468)
C16H16N2O4

>  <MolWeight> (468)
300.30924

>  <COMPOUND_NAME> (468)
WAY-297847

>  <BAR_CODE_NO> (468)
3899111

$$$$
WAY-297848
csChFnd80/06171916322D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -0.6458    0.3958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667    0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3583    0.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542    1.6333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0708    0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.4833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7833   -0.0250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9542    1.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3625    1.6333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3750    1.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4958    0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9208    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6333    1.6250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.4958    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2083   -0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2083    1.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9208    0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6583   -0.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4833    1.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  5  1  0  0  0  0
  8  4  1  0  0  0  0
  9  3  2  0  0  0  0
 10  6  1  0  0  0  0
 11  7  1  0  0  0  0
 12 17  2  0  0  0  0
 13 12  1  0  0  0  0
 14 11  1  0  0  0  0
 15 11  2  0  0  0  0
 16 14  2  0  0  0  0
 17 15  1  0  0  0  0
 18  5  1  0  0  0  0
 19  5  1  0  0  0  0
 10  8  2  0  0  0  0
 16 12  1  0  0  0  0
M  END
>  <Mol_ID> (469)
469

>  <Formula> (469)
C13H13ClN2O2S

>  <MolWeight> (469)
296.77252

>  <COMPOUND_NAME> (469)
WAY-297848

>  <BAR_CODE_NO> (469)
3899113

$$$$
WAY-297855
csChFnd80/06171916322D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -0.8207   -0.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0862   -0.6690    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5138   -0.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8379    0.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6138   -0.2310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6517   -1.2690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5172   -1.2379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2379   -0.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5621    0.9310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3414   -0.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2621    0.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9448   -0.7517    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.0414   -0.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9862    0.8931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0172    0.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7621   -0.5690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0138    1.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7172    1.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4655   -0.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4414    0.6828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  2  0  0  0  0
 18 20  2  0  0  0  0
  9 11  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (470)
470

>  <Formula> (470)
C13H13BrN2O3S

>  <MolWeight> (470)
357.22292

>  <COMPOUND_NAME> (470)
WAY-297855

>  <BAR_CODE_NO> (470)
3899123

$$$$
WAY-297857
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -2.2103    0.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2069   -0.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4966    0.7138    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9310    0.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4931   -0.9483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9310   -0.9483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7724    0.3034    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.6448    0.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7690   -0.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6448   -0.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0621    0.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0552   -0.9483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6552    0.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3690    0.7138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6552   -0.5241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0828    0.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7897    0.7276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0828   -0.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5069    0.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7828    1.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7931   -0.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5069   -0.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  2  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (471)
471

>  <Formula> (471)
C17H16N2O2S

>  <MolWeight> (471)
312.38614

>  <COMPOUND_NAME> (471)
WAY-297857

>  <BAR_CODE_NO> (471)
3899125

$$$$
WAY-297861
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -0.4172    0.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7966    0.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1759    0.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2759    0.9517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7966    0.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1586    0.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4172   -0.1103    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2414    0.1690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1414    1.0310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5379    1.2724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1586   -0.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5172    0.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4414   -0.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4034    0.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5172    0.0103    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.8414   -0.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2241   -0.5483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8241    0.7724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8966   -0.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0414   -0.5897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4621   -0.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8414   -0.9483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6828   -0.9483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0414   -1.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4621   -1.3310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
  5  7  1  0  0  0  0
 12 15  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (472)
472

>  <Formula> (472)
C18H26N2O4S

>  <MolWeight> (472)
366.47504

>  <COMPOUND_NAME> (472)
WAY-297861

>  <BAR_CODE_NO> (472)
3899129

$$$$
WAY-297884
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
    0.1034   -0.5828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000   -1.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5966   -0.1724    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.8241   -0.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8241   -1.8379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5966   -1.8207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5966    0.6483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3138   -0.5828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5517   -0.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5517   -1.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8207   -2.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3310   -1.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1172    1.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3069    1.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2724   -1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5414   -3.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0552   -1.8034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1172    1.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3103    1.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690   -2.6759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5966    2.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5966    3.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2276    3.1069    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6000    3.9345    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4207    3.1207    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  2  0  0  0  0
  7 14  1  0  0  0  0
 10 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 17  2  0  0  0  0
 13 18  1  0  0  0  0
 14 19  2  0  0  0  0
 15 20  1  0  0  0  0
 18 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
 16 20  2  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <Mol_ID> (473)
473

>  <Formula> (473)
C20H14F3NO

>  <MolWeight> (473)
341.3264696

>  <COMPOUND_NAME> (473)
WAY-297884

>  <BAR_CODE_NO> (473)
3899160

$$$$
WAY-297910
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -0.7275    0.0940    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7275   -0.6405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3654    0.4733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0033    0.3319    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3654   -1.0267    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0033   -0.8888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0033    0.0940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3654    1.2319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4173   -0.2888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0033   -0.6405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1033    1.2319    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3654    1.9733    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6033    1.2319    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.1725   -0.2888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6447   -1.0267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5346    0.3733    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5346   -0.9267    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3275   -0.6888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7447   -1.7405    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2967    0.3733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8447   -1.2267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4827   -1.8888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6553    1.0112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6553   -0.2888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4173    1.0112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2725    1.6733    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4173   -0.2888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7725    0.3733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5346    0.3733    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  2  0  0  0  0
 20 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
 24 27  2  0  0  0  0
 25 28  2  0  0  0  0
 28 29  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
 21 22  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (474)
474

>  <Formula> (474)
C18H9Cl2F3N4O2

>  <MolWeight> (474)
441.1908696

>  <COMPOUND_NAME> (474)
WAY-297910

>  <BAR_CODE_NO> (474)
3899189

$$$$
WAY-297926
csChFnd80/06171916322D

 31 35  0  0  0  0  0  0  0  0999 V2000
   -1.9500   -0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708   -0.1375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708    0.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3125   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9500    0.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3125    0.9833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5958   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5958    0.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0125    1.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2333    0.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2333   -0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3125   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6500    2.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708    1.7333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0125    1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292   -0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6625    2.8625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1333   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9708   -0.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5958    1.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708    0.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9042   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1333   -1.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8333   -1.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2333    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708    1.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  6  2  0  0  0  0
  4  1  1  0  0  0  0
  5  1  2  0  0  0  0
  6  5  1  0  0  0  0
  7  1  1  0  0  0  0
  8  5  1  0  0  0  0
  9  3  1  0  0  0  0
 10 11  1  0  0  0  0
 11  7  1  0  0  0  0
 12  2  1  0  0  0  0
 13  4  2  0  0  0  0
 14 16  1  0  0  0  0
 15 14  2  0  0  0  0
 16  9  1  0  0  0  0
 17 12  2  0  0  0  0
 18 12  1  0  0  0  0
 19 14  1  0  0  0  0
 20  7  1  0  0  0  0
 21  7  1  0  0  0  0
 22 17  1  0  0  0  0
 23 18  2  0  0  0  0
 24 23  1  0  0  0  0
 25  8  2  0  0  0  0
 26 10  2  0  0  0  0
 27 24  1  0  0  0  0
 28 21  1  0  0  0  0
 29 20  1  0  0  0  0
 30 25  1  0  0  0  0
 31 26  1  0  0  0  0
 28 29  1  0  0  0  0
 10  8  1  0  0  0  0
  2  3  1  0  0  0  0
 31 30  2  0  0  0  0
 22 24  2  0  0  0  0
M  END
>  <Mol_ID> (475)
475

>  <Formula> (475)
C25H25N3O2S

>  <MolWeight> (475)
431.5499

>  <COMPOUND_NAME> (475)
WAY-297926

>  <BAR_CODE_NO> (475)
3899207

$$$$
WAY-297961
csChFnd80/06171916322D

 23 24  0  0  0  0  0  0  0  0999 V2000
    0.2276   -0.2138    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.3552   -0.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2276    0.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8069   -0.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3552   -1.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9345   -0.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7931    0.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3448    0.7828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8069   -1.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3759   -0.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2276   -1.5310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9345   -1.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5207   -0.5448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9345    0.3552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8069    1.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3448    0.4310    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.3345    1.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3759   -1.5172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9310    0.0966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0552   -0.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2448    1.7828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6345   -0.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2552    2.4310    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  2  0  0  0  0
  7 15  2  0  0  0  0
  7 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 18  1  0  0  0  0
 10 19  3  0  0  0  0
 13 20  1  0  0  0  0
 15 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
  9 11  1  0  0  0  0
 17 21  2  0  0  0  0
M  END
>  <Mol_ID> (476)
476

>  <Formula> (476)
C16H14Cl2N2O3

>  <MolWeight> (476)
353.19996

>  <COMPOUND_NAME> (476)
WAY-297961

>  <BAR_CODE_NO> (476)
3899259

$$$$
WAY-297963-A
csChFnd80/06171916322D

 24 27  0  0  0  0  0  0  0  0999 V2000
    0.8703    0.2514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6745    0.2431    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3870   -0.3736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9370    0.9806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2745    1.4389    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6120    0.9889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4297   -0.3736    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6880   -1.1111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2203   -0.3319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6370   -1.1111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7370    1.1389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0255   -1.5611    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0245   -0.1736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2828    0.5556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4672   -1.3569    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0755   -0.8361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1630    1.2181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2880    0.2139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8505   -1.0736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9130   -0.0736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4630   -0.5486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5130    0.4431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8547    0.7389    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0745    0.7139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  7  3  1  0  0  0  0
  8  7  2  0  0  0  0
  9  2  1  0  0  0  0
 10  3  2  0  0  0  0
 11  4  1  0  0  0  0
 12 10  1  0  0  0  0
 13  9  2  0  0  0  0
 14 13  1  0  0  0  0
 15  8  1  0  0  0  0
 16 15  1  0  0  0  0
 17  6  1  0  0  0  0
 18 22  2  0  0  0  0
 19 16  1  0  0  0  0
 20 16  2  0  0  0  0
 21 19  2  0  0  0  0
 22 20  1  0  0  0  0
 23 18  1  0  0  0  0
 24 14  1  0  0  0  0
  4  5  2  0  0  0  0
  8 12  1  0  0  0  0
 14 11  2  0  0  0  0
 21 18  1  0  0  0  0
M  END
>  <Mol_ID> (477)
477

>  <Formula> (477)
C18H16N4OS

>  <MolWeight> (477)
336.41084

>  <COMPOUND_NAME> (477)
WAY-297963-A

>  <BAR_CODE_NO> (477)
3899262

$$$$
WAY-297969
csChFnd80/06171916322D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -0.2793    0.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8862    0.8552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4345    0.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5103   -0.2966    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4897    0.4172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8862    1.6034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9897    0.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2621   -0.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2034    0.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0586   -0.6034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7000    0.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7000   -0.9034    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3621    1.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7897   -0.7828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1828   -0.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0724    1.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0724   -1.4793    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.8138   -1.5828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6103   -2.0690    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 13 16  2  0  0  0  0
 14 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
  5  8  1  0  0  0  0
 14 15  2  0  0  0  0
M  END
>  <Mol_ID> (478)
478

>  <Formula> (478)
C11H8N2O4S2

>  <MolWeight> (478)
296.32222

>  <COMPOUND_NAME> (478)
WAY-297969

>  <BAR_CODE_NO> (478)
3899271

$$$$
WAY-297993
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -1.1415   -0.9446    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1553   -0.9446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7139   -1.7343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7760   -0.1343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3447   -0.0964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3447   -1.7964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6898   -1.4619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3760   -2.6515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6898   -0.4619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5415    0.8036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3102   -0.0964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3378   -1.7964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5415   -1.9619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5415    0.0243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8378   -0.9446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4035   -1.4619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4035   -0.4619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8102   -0.9446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1965   -0.0998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4240   -1.7826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    0.6761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6758    0.6002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0102    1.5864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0965    1.3761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4585    2.3761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4758    2.2761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8965    3.0554    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.0898    3.0036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2068    3.9968    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 13 16  2  0  0  0  0
 14 17  2  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
  7  9  2  0  0  0  0
 12 15  2  0  0  0  0
 16 17  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <Mol_ID> (479)
479

>  <Formula> (479)
C21H13N3O5

>  <MolWeight> (479)
387.34502

>  <COMPOUND_NAME> (479)
WAY-297993

>  <BAR_CODE_NO> (479)
3899299

$$$$
WAY-335404
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
    4.8792   -1.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1667   -0.9792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8792   -2.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1667   -2.6375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4542   -2.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4542   -1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042   -2.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917   -2.2250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7375   -2.6375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.5917   -0.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5917   -2.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917   -1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1125   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042   -3.4625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0250   -2.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8333    0.2458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3042   -1.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5875   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3042   -2.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5917   -3.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6000    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3125   -3.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0167   -2.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2917    0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0167   -0.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0250   -3.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0167   -0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  2  1  0  0  0  0
  7 15  1  0  0  0  0
  8  7  1  0  0  0  0
  9  5  1  0  0  0  0
 10  1  1  0  0  0  0
 11  3  1  0  0  0  0
 12  8  1  0  0  0  0
 13 12  1  0  0  0  0
 14  7  2  0  0  0  0
 15  9  1  0  0  0  0
 16 13  2  0  0  0  0
 17 16  1  0  0  0  0
 18 19  1  0  0  0  0
 19 12  2  0  0  0  0
 20 10  2  0  0  0  0
 21 10  1  0  0  0  0
 22 11  1  0  0  0  0
 23 11  2  0  0  0  0
 24 18  2  0  0  0  0
 25 17  1  0  0  0  0
 26 23  1  0  0  0  0
 27 22  2  0  0  0  0
 28 21  2  0  0  0  0
 29 20  1  0  0  0  0
 30 26  2  0  0  0  0
 31 28  1  0  0  0  0
  6  5  2  0  0  0  0
 29 31  2  0  0  0  0
 30 27  1  0  0  0  0
 16 24  1  0  0  0  0
M  END
>  <Mol_ID> (480)
480

>  <Formula> (480)
C24H20N4O2S

>  <MolWeight> (480)
428.5062

>  <COMPOUND_NAME> (480)
WAY-335404

>  <BAR_CODE_NO> (480)
2543608

$$$$
WAY-335445
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -1.7942    0.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8976    0.5674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7942   -1.0084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6908    0.5674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0011    0.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8976    1.6364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8976   -1.5153    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6908   -1.5153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6183    0.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0011   -1.0084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0011    2.1467    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7942    2.1467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6183   -1.0084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230   -1.8877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8955    1.6364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5748   -1.7498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1541   -2.8601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8230    2.1467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2230   -2.5843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8024   -3.6498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8230    3.2123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8127    1.8192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8230   -3.5119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8127    3.5364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4299    2.7019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
  8 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  2  0  0  0  0
 18 21  2  0  0  0  0
 18 22  1  0  0  0  0
 19 23  2  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
  7 10  2  0  0  0  0
  9 13  1  0  0  0  0
 20 23  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (481)
481

>  <Formula> (481)
C21H16N2O2

>  <MolWeight> (481)
328.36394

>  <COMPOUND_NAME> (481)
WAY-335445

>  <BAR_CODE_NO> (481)
2569054

$$$$
WL-133541
csChFnd80/06171916322D

 22 23  0  0  0  0  0  0  0  0999 V2000
    1.4149   -1.5392    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0881   -2.3114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4097   -0.0052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7468   -2.3011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0933   -3.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2386   -1.5496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0726    0.7618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7468    0.7722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7572   -3.8403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0839   -1.5237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4304   -4.6177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2386   -4.6281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6898   -2.3892    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2542   -0.0207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0622    2.3063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7416    2.3166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0943   -4.6177    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4210   -0.7463    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0165   -1.2283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3993    3.0837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4210   -1.8657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3941    4.6281    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  2  0  0  0  0
  7 15  2  0  0  0  0
  8 16  1  0  0  0  0
  9 17  1  0  0  0  0
 10 18  3  0  0  0  0
 13 19  1  0  0  0  0
 15 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
  9 11  1  0  0  0  0
 16 20  2  0  0  0  0
M  END
>  <Mol_ID> (482)
482

>  <Formula> (482)
C16H15ClN2O3

>  <MolWeight> (482)
318.7549

>  <COMPOUND_NAME> (482)
WL-133541

>  <BAR_CODE_NO> (482)
3897423

$$$$
WL-148210
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -1.8347    0.4653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4243    0.0067    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8347    1.9653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1347   -0.2864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0860   -1.4036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4136    1.2343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4243    2.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1347    2.7343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4450    0.4446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5343   -1.7140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9140   -2.5036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9343    1.2550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1067    3.8343    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4450    1.9860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5446   -0.5933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9964   -3.1243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0239   -0.9243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653   -3.4554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4860   -2.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
  7 13  2  0  0  0  0
  8 14  2  0  0  0  0
 10 15  1  0  0  0  0
 10 16  2  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
  6  7  1  0  0  0  0
  9 14  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (483)
483

>  <Formula> (483)
C15H9NO3

>  <MolWeight> (483)
251.23686

>  <COMPOUND_NAME> (483)
WL-148210

>  <BAR_CODE_NO> (483)
3897959

$$$$
WL-155514
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.7993   -0.0968    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.7110   -1.3676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2703   -0.2501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4447    1.3232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2682   -1.2143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3762   -2.8966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6213    0.9965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3631   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0020    1.4765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5491    2.5738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9137    0.2057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8976   -2.6505    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7276   -3.6873    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0368   -3.5501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1543    0.8472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8921   -1.8033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6918    2.8845    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6535    3.8245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7877   -0.5527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3207   -0.7020    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0791    0.4801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0831   -2.0413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  2  0  0  0  0
  6 14  1  0  0  0  0
  7 15  2  0  0  0  0
  8 16  1  0  0  0  0
  9 17  1  0  0  0  0
 10 18  3  0  0  0  0
 15 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
  9 11  1  0  0  0  0
 12 13  1  0  0  0  0
 16 19  2  0  0  0  0
M  END
>  <Mol_ID> (484)
484

>  <Formula> (484)
C16H17N5O

>  <MolWeight> (484)
295.33908

>  <COMPOUND_NAME> (484)
WL-155514

>  <BAR_CODE_NO> (484)
3899079

$$$$
WL-166459
csChFnd80/06171916322D

 28 32  0  0  0  0  0  0  0  0999 V2000
   -0.3880   -1.8281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6181   -3.3536    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.9403   -1.0587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7228   -1.0587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0911   -3.8074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4274   -4.4781    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9403    0.4735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3738   -1.6176    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7228    0.4735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0577   -1.8281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2221   -2.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4330   -5.3066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9596   -4.3663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3880    1.2494    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.8276   -3.0906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6885   -3.2090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9060   -5.7604    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6303   -5.7538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3880    2.7881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3663   -3.2090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0370   -4.7148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1690   -5.8721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7228    3.5575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9403    3.5575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0370   -4.5964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7228    5.0962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9403    5.0962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3880    5.8721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
 11 16  2  0  0  0  0
 12 17  1  0  0  0  0
 13 18  1  0  0  0  0
 14 19  1  0  0  0  0
 15 20  1  0  0  0  0
 16 21  1  0  0  0  0
 18 22  2  0  0  0  0
 19 23  2  0  0  0  0
 19 24  1  0  0  0  0
 20 25  2  0  0  0  0
 23 26  1  0  0  0  0
 24 27  2  0  0  0  0
 26 28  2  0  0  0  0
  9 14  1  0  0  0  0
 13 15  2  0  0  0  0
 17 21  2  0  0  0  0
 22 25  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (485)
485

>  <Formula> (485)
C24H21N3O

>  <MolWeight> (485)
367.44304

>  <COMPOUND_NAME> (485)
WL-166459

>  <BAR_CODE_NO> (485)
3898495

$$$$
WL-179356
csChFnd80/06171916322D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -1.6515   -0.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6515    0.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7757   -0.9862    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4377   -1.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7757    0.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4377    0.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2515   -0.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2239   -0.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4998    1.3586    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.2239    0.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6450   -0.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0830    0.5138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1140   -1.0414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0140    0.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4623   -0.2586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4623    1.2931    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.3485   -0.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8002    0.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
  5  7  2  0  0  0  0
  8 10  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (486)
486

>  <Formula> (486)
C12H7ClN2OS2

>  <MolWeight> (486)
294.77978

>  <COMPOUND_NAME> (486)
WL-179356

>  <BAR_CODE_NO> (486)
3897944

$$$$
WL-180607
csChFnd80/06171916322D

 18 19  0  0  0  0  0  0  0  0999 V2000
    1.3166    1.2613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0132    0.5095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6546    0.6578    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4649    2.7544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0132   -0.9939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2868    1.2613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6477    1.7406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9649   -0.8146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9546    3.0509    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2868   -1.7491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5903    0.5095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1442    1.5578    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.4546   -1.0146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5903   -0.9939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8937   -1.7456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6489   -0.4456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1420   -3.0560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1903   -2.4905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
 10 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
  7  9  1  0  0  0  0
 11 14  1  0  0  0  0
M  END
>  <Mol_ID> (487)
487

>  <Formula> (487)
C14H19N3S

>  <MolWeight> (487)
261.38576

>  <COMPOUND_NAME> (487)
WL-180607

>  <BAR_CODE_NO> (487)
3899054

$$$$
WL-305634
csChFnd80/06171916322D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -4.3835    0.4283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3835   -0.9795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1712   -1.6795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9509    0.4283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1712    1.1360    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7375    1.1289    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5977    1.1253    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1731   -3.0795    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9524   -0.9717    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4748    0.4291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6871    1.1291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8995    0.4293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8996   -0.9707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1122   -1.6706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3247   -0.9705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3245    0.4295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1119    1.1295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6870    2.5291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  2  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  9  1  0  0  0  0
  9  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  1  7  1  0  0  0  0
  3  8  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 17  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 11 12  1  0  0  0  0
 11 18  2  0  0  0  0
M  END
>  <Mol_ID> (488)
488

>  <Formula> (488)
C12H12N4OS

>  <MolWeight> (488)
260.31488

>  <COMPOUND_NAME> (488)
WL-305634

>  <BAR_CODE_NO> (488)
3898832

$$$$
CL-148612
csChFnd80/06171916322D

 32 35  0  0  0  0  0  0  0  0999 V2000
   -1.3278   -0.2624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3278   -1.1037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0588    0.1583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6140    0.1618    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0588   -1.5210    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6071   -1.5175    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7864   -0.2624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6071    1.0721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7864   -1.1037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1136   -1.1037    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5140    0.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1205    1.4859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5140   -1.5175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8308   -0.6831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1136   -0.2727    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1136   -1.9382    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2347   -0.2624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1239    2.3273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8446    1.0652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2347   -1.1037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8308    0.1480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5550   -1.1037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8515    2.7445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5722    1.4825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5550    0.5652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2757   -0.6831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5757    2.3238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2757    0.1480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0032    0.5687    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7308    0.1480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4550    0.5687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7308   -0.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  2  0  0  0  0
 10 16  2  0  0  0  0
 11 17  2  0  0  0  0
 12 18  2  0  0  0  0
 12 19  1  0  0  0  0
 13 20  2  0  0  0  0
 14 21  2  0  0  0  0
 14 22  1  0  0  0  0
 18 23  1  0  0  0  0
 19 24  2  0  0  0  0
 21 25  1  0  0  0  0
 22 26  2  0  0  0  0
 23 27  2  0  0  0  0
 25 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
  7  9  1  0  0  0  0
 17 20  1  0  0  0  0
 24 27  1  0  0  0  0
 26 28  1  0  0  0  0
M  END
>  <Mol_ID> (489)
489

>  <Formula> (489)
C23H21N5O3S

>  <MolWeight> (489)
447.50954

>  <COMPOUND_NAME> (489)
CL-148612

>  <BAR_CODE_NO> (489)
2540067

$$$$
CL-17390
csChFnd80/06171916322D

 23 26  0  0  0  0  0  0  0  0999 V2000
   -2.3882    0.0096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9813    0.0096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3882   -0.7938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0985    0.4131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3433    0.4027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9813   -0.7938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6882   -1.1869    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0985   -1.1869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7951    0.0096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3567    0.0269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7951   -0.7938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4847    0.2821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1049    0.3407    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6222    1.0924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6222   -0.4076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5049    0.7786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2187    1.6303    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5049   -0.1145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3291   -1.0455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2946    1.2545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2946   -0.5904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0946    0.7786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0946   -0.1145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  8 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  1  0  0  0  0
 15 19  2  0  0  0  0
 16 20  1  0  0  0  0
 18 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
  6  7  1  0  0  0  0
  9 11  1  0  0  0  0
 16 18  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (490)
490

>  <Formula> (490)
C18H14N2O3

>  <MolWeight> (490)
306.31536

>  <COMPOUND_NAME> (490)
CL-17390

>  <BAR_CODE_NO> (490)
3900271

$$$$
CL-268388
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
    1.3256    0.3692    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.3256    1.9074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.3692    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6625   -0.3804    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.6625    2.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.9074    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.3256    0.3804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6625   -1.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9881    0.3692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6625    4.2231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3256   -2.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3256   -2.6960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9881   -2.6960    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3256    4.9950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6625   -1.9074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3256   -4.2231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9881   -2.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6625   -4.9950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9881   -4.2231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  9 15  2  0  0  0  0
 11 16  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
  9 14  1  0  0  0  0
 12 16  2  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (491)
491

>  <Formula> (491)
C19H21NO

>  <MolWeight> (491)
279.37614

>  <COMPOUND_NAME> (491)
CL-268388

>  <BAR_CODE_NO> (491)
3900331

$$$$
CL-28786
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.0138    0.4141    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0138   -0.9859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1931    1.1244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2069    1.0762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1759   -1.6859    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2552   -1.7238    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4138    0.4141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1931    2.5244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4276    0.3762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2345    2.4865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1759   -3.0859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2241   -3.1342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6345    1.1244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3828    3.2348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6448    1.0762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4552    3.1762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0138   -3.7928    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4276   -3.8342    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.4828   -3.8342    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.6034    2.5244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6759    2.5244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  2  0  0  0  0
 11 17  1  0  0  0  0
 11 18  1  0  0  0  0
 12 19  1  0  0  0  0
 13 20  1  0  0  0  0
 15 21  2  0  0  0  0
 12 17  2  0  0  0  0
 14 20  2  0  0  0  0
 16 21  1  0  0  0  0
M  END
>  <Mol_ID> (492)
492

>  <Formula> (492)
C15H10Cl2N4

>  <MolWeight> (492)
317.1727

>  <COMPOUND_NAME> (492)
CL-28786

>  <BAR_CODE_NO> (492)
3900854

$$$$
CL-309050
csChFnd80/06171916322D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -1.5170    0.4372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4239   -0.0869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8998    1.5993    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4963   -0.2800    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6588    0.4544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1170    1.5993    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4825    0.4372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7382   -0.1111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5687   -0.1180    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7623    0.5441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7726   -1.3145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8382   -0.0318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8485   -1.8869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8864   -1.2421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  2  0  0  0  0
  6  7  2  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (493)
493

>  <Formula> (493)
C9H9N3OS

>  <MolWeight> (493)
207.25226

>  <COMPOUND_NAME> (493)
CL-309050

>  <BAR_CODE_NO> (493)
3900058

$$$$
CL-350222
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
    1.0256   -0.0442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9497   -0.0442    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5669    0.7627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5738   -0.8270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8738   -0.0442    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9497    0.8765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9497   -0.9614    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572    0.7627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3400   -0.8270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3325   -0.8442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3256    0.7455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8331    1.5592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8020   -0.0442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2566   -0.8442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2497    0.7455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7744    1.5524    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3744    2.3592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7014   -0.0442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2193    0.7627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1400    0.7627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7744   -0.0304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6020   -0.0304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2365   -0.8270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1331   -0.8270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3158   -1.3304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9779   -1.9890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8744   -1.3304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 17  2  0  0  0  0
 14 18  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
  9 13  2  0  0  0  0
 15 18  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (494)
494

>  <Formula> (494)
C19H20N2O5S

>  <MolWeight> (494)
388.4375

>  <COMPOUND_NAME> (494)
CL-350222

>  <BAR_CODE_NO> (494)
3900675

$$$$
CL-394739
csChFnd80/06171916322D

 32 35  0  0  0  0  0  0  0  0999 V2000
   -0.5173    1.0761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9760    0.4140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2654    1.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8553    1.7933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7242   -0.3136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7553    0.4036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7447    0.3657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7240    1.6450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6346    1.8761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3553   -0.7964    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0551   -0.5446    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9967   -0.3343    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2242    1.0761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4930    0.6347    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5137   -0.3860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4758    1.4140    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4827    2.3933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9760    2.5933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3449   -1.5757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7553   -0.5860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1551    0.2036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1137    1.8864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0173   -1.9860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6656   -1.9550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8551    0.5554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1137   -0.5757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9967   -2.7860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6449   -2.7446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5240    0.1140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7654   -1.0239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3242   -3.1653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4827   -0.6757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  2  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 18  1  0  0  0  0
 10 19  1  0  0  0  0
 12 20  1  0  0  0  0
 14 21  1  0  0  0  0
 16 22  1  0  0  0  0
 19 23  2  0  0  0  0
 19 24  1  0  0  0  0
 21 25  1  0  0  0  0
 21 26  2  0  0  0  0
 23 27  1  0  0  0  0
 24 28  2  0  0  0  0
 25 29  2  0  0  0  0
 26 30  1  0  0  0  0
 27 31  2  0  0  0  0
 29 32  1  0  0  0  0
 10 12  1  0  0  0  0
 14 16  1  0  0  0  0
 28 31  1  0  0  0  0
 30 32  2  0  0  0  0
M  END
>  <Mol_ID> (495)
495

>  <Formula> (495)
C26H30N4O2

>  <MolWeight> (495)
430.542

>  <COMPOUND_NAME> (495)
CL-394739

>  <BAR_CODE_NO> (495)
3900472

$$$$
CL-402110
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -1.3358   -2.2699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.4993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3358   -3.8159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6716   -1.4993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0047    0.0467    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3498   -2.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.5819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6716   -4.5819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0214   -2.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3358    0.8174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3498   -3.8019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7136   -1.5320    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0214   -3.8019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3358    2.3727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6763    0.0374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7136   -4.5492    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6810    3.1433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0121    0.8080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0214    2.3680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.6847    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3405    2.3727    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  8 13  2  0  0  0  0
 10 14  1  0  0  0  0
 10 15  2  0  0  0  0
 11 16  2  0  0  0  0
 14 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 18 22  2  0  0  0  0
  7 11  1  0  0  0  0
  9 13  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (496)
496

>  <Formula> (496)
C16H12N2O4

>  <MolWeight> (496)
296.27748

>  <COMPOUND_NAME> (496)
CL-402110

>  <BAR_CODE_NO> (496)
3900569

$$$$
CL-406156
csChFnd80/06171916322D

 23 26  0  0  0  0  0  0  0  0999 V2000
   -1.8312    1.0047    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2268    1.6481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0143   -0.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4900    1.7470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2760    0.5147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6920    3.1130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5188   -0.8315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9898   -1.6926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8265    0.9700    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -5.7707    0.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1966    3.4594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0137   -2.3013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4798   -3.1526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1578    1.7173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8117   -0.5691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2359    2.3261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9843   -3.4594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4891    0.9403    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8155    1.6926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4693   -0.5939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1418    0.9106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7907   -1.3709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1270   -0.6335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 12 17  2  0  0  0  0
 14 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
  5  7  1  0  0  0  0
 11 16  2  0  0  0  0
 13 17  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (497)
497

>  <Formula> (497)
C19H22N2O2

>  <MolWeight> (497)
310.39018

>  <COMPOUND_NAME> (497)
CL-406156

>  <BAR_CODE_NO> (497)
3899913

$$$$
CL-406432
csChFnd80/06171916322D

 25 29  0  0  0  0  0  0  0  0999 V2000
   -1.5085   -0.9695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8774    0.0650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3326   -1.6419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7912   -2.1592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5119   -0.4040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1188    0.2512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4774   -1.5557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9119   -2.0385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4812   -0.9833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5223    0.3857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8843   -0.4626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3188   -0.9316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6292   -2.7385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4812   -0.2799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4812    0.8270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6122   -0.6247    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5502    1.1857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5571    1.4684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2398    0.2960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9950    2.2201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4774    1.3098    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6571    2.4270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3743    0.4581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1260    2.4029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8053    1.4926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  9 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 18 22  2  0  0  0  0
 19 23  1  0  0  0  0
 20 24  1  0  0  0  0
 23 25  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
 17 19  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (498)
498

>  <Formula> (498)
C20H26N2O2S

>  <MolWeight> (498)
358.49764

>  <COMPOUND_NAME> (498)
CL-406432

>  <BAR_CODE_NO> (498)
3901212

$$$$
CL-414657
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -4.1832   -1.6960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6931   -1.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1832   -3.2620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4999   -0.9320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8478   -2.4980    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1729    0.2330    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6931   -3.7063    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4999   -4.0206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8275   -1.6960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6827    0.4714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2463   -4.1452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3758   -5.0718    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8275   -3.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1192    1.8857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4034    2.1566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9670    3.5655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4571    3.7714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3782    2.5197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0152    5.1694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8147    1.1162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9117    2.7201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7792   -0.0921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3083    0.9320    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.8275    1.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2639    0.1571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  2  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
 10 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  2  0  0  0  0
 22 25  2  0  0  0  0
  5  7  1  0  0  0  0
  9 13  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (499)
499

>  <Formula> (499)
C17H15FN2O4S

>  <MolWeight> (499)
362.3754032

>  <COMPOUND_NAME> (499)
CL-414657

>  <BAR_CODE_NO> (499)
3901021

$$$$
CL-415100
csChFnd80/06171916322D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -0.0923   -0.2231    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.3732   -1.0039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0732    1.0231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2924   -1.0039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3770    0.4346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3732   -2.5463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8464   -0.5154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2346    2.2848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6117    1.0231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2924   -2.5463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0656   -1.0270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3770    1.8501    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4156    0.0615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0923   -3.3272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7271   -3.3272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0657   -1.1847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8464    0.4654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9385    3.6349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3464    2.3617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6386   -3.3579    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7388   -1.0270    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0657   -2.5463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4771    3.6118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8465    2.3617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  1  0  0  0  0
  3  8  2  0  0  0  0
  3  9  1  0  0  0  0
  4 10  2  0  0  0  0
  4 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  2  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  2  0  0  0  0
  8 18  1  0  0  0  0
  9 19  2  0  0  0  0
 10 20  1  0  0  0  0
 11 21  3  0  0  0  0
 15 22  1  0  0  0  0
 18 23  2  0  0  0  0
 19 24  1  0  0  0  0
  8 12  1  0  0  0  0
 10 14  1  0  0  0  0
 16 22  1  0  0  0  0
 19 23  1  0  0  0  0
M  END
>  <Mol_ID> (500)
500

>  <Formula> (500)
C18H15N3O3

>  <MolWeight> (500)
321.33

>  <COMPOUND_NAME> (500)
CL-415100

>  <BAR_CODE_NO> (500)
3901046

$$$$
CL-416433
csChFnd80/06171916322D

 26 27  0  0  0  0  0  0  0  0999 V2000
    1.8466    1.3293    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8466   -0.1768    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.2740    1.8269    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5435    2.2787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3330   -0.6745    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3209   -0.3798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0870   -1.5454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2235    0.6090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7465    3.7979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8382    1.6370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3143   -1.7811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7820    0.6548    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8531   -1.9710    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.5939   -0.6745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4050   -2.1609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0430   -0.4387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6632   -3.5163    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8605   -2.0037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1393   -0.6286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3741   -0.9233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0271   -3.5949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9129   -1.1132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5855   -3.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4826   -2.5407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8886    0.1179    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -8.0542   -2.7175    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  6 11  1  0  0  0  0
  8 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 13 17  2  0  0  0  0
 14 18  1  0  0  0  0
 14 19  2  0  0  0  0
 15 20  2  0  0  0  0
 15 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
 22 25  1  0  0  0  0
 24 26  1  0  0  0  0
  5  8  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (501)
501

>  <Formula> (501)
C15H17Cl2N3O4S2

>  <MolWeight> (501)
438.34918

>  <COMPOUND_NAME> (501)
CL-416433

>  <BAR_CODE_NO> (501)
3900963

$$$$
CL-418243
csChFnd80/06171916322D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.0240   -0.1816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1864   -0.5747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0516   -0.9333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4240    1.0357    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1312    0.2805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4588   -1.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0826   -0.1816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6895    1.0357    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3519   -0.1126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6657   -2.2126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9929   -1.0023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9102    0.5736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4378    2.0633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6243   -1.3609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7067    1.9253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9205    3.2253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8209   -1.7574    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 14 17  1  0  0  0  0
  7  8  1  0  0  0  0
 10 14  2  0  0  0  0
M  END
>  <Mol_ID> (502)
502

>  <Formula> (502)
C12H13ClN2O2

>  <MolWeight> (502)
252.69682

>  <COMPOUND_NAME> (502)
CL-418243

>  <BAR_CODE_NO> (502)
3900988

$$$$
CL-419274
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    1.4921   -1.4783    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.8411   -2.2497    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1755   -2.2497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4921    0.0693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8411   -3.7742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2639   -1.7693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1755   -3.7742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1549   -1.4783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1848    0.7992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8411    0.7992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4921   -4.5318    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2639   -4.2547    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.1740   -3.0027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7813   -0.3511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1549   -4.5318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4946   -2.2266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1549    0.0785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1848    2.3468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8411    2.3468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8250   -1.4506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4921    3.1044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1740   -2.2266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4690    4.6335    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  2  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  2  0  0  0  0
  9 18  1  0  0  0  0
 10 19  2  0  0  0  0
 16 20  1  0  0  0  0
 18 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
  7 11  1  0  0  0  0
 12 13  1  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <Mol_ID> (503)
503

>  <Formula> (503)
C16H15FN2O3S

>  <MolWeight> (503)
334.3653032

>  <COMPOUND_NAME> (503)
CL-419274

>  <BAR_CODE_NO> (503)
3900557

$$$$
CL-425158
csChFnd80/06171916322D

 17 19  0  0  0  0  0  0  0  0999 V2000
    1.5787    0.9356    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.2464    1.6942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5787   -0.6276    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.0688    1.4169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0935    0.9087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2464    3.2228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2464   -1.4015    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.0688   -1.0858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9313    0.1194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0935   -0.6276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4334    1.6518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0935    4.0121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2464   -2.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4334    3.2228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7310    0.8702    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    1.5787   -3.7310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0935   -3.6887    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
 11 14  2  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  2  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <Mol_ID> (504)
504

>  <Formula> (504)
C13H12INO2

>  <MolWeight> (504)
341.14435

>  <COMPOUND_NAME> (504)
CL-425158

>  <BAR_CODE_NO> (504)
3900865

$$$$
CL-5740
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.6771   -0.2685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6771   -1.5547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4988    0.1212    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8391    0.4143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8081   -2.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5402   -1.9616    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8022    1.3074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2919   -0.9098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9736   -0.2478    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8288    1.6902    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9736   -1.5581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7978   -3.4961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0126    1.4936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0840    0.3867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0771   -2.2064    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3988    2.6902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8816    0.5315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6505    2.9660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1402    0.8039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5195    2.0143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  7 13  1  0  0  0  0
  9 14  1  0  0  0  0
 11 15  2  0  0  0  0
 13 16  2  0  0  0  0
 13 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
  6  8  2  0  0  0  0
  9 11  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (505)
505

>  <Formula> (505)
C14H14N4O2

>  <MolWeight> (505)
270.28656

>  <COMPOUND_NAME> (505)
CL-5740

>  <BAR_CODE_NO> (505)
3900523

$$$$
GI-557174
csChFnd80/06171916322D

 16 17  0  0  0  0  0  0  0  0999 V2000
    1.8757    1.4319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3964    1.3975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8757    2.5423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9860    0.7009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3964    0.2043    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8623    2.1112    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0791    2.5423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0791    1.4319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1274   -0.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1653   -1.6681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1278   -1.6543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9071   -0.3094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9071   -2.9957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4657   -0.3094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4657   -2.9957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2450   -1.6543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
  7  8  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (506)
506

>  <Formula> (506)
C13H13NO2

>  <MolWeight> (506)
215.24782

>  <COMPOUND_NAME> (506)
GI-557174

>  <BAR_CODE_NO> (506)
3901184

$$$$
GI-557200
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -1.6881    0.5627    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.1949   -0.3057    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.6159    1.3912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1812   -0.3057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0881    1.3558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3558   -0.6734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1949   -2.0381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9805    2.2020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7842    2.2020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1812   -2.0381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6805   -0.3412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3558   -1.8165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6881   -2.9020    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9805    3.8236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7842    3.8236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6805    1.2051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0274   -1.1165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6881   -4.2312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6159    4.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0274    1.9805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3521   -0.3412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0482   -4.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3521    1.2051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9521   -4.0097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3521   -4.3420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  8  2  0  0  0  0
  3  9  1  0  0  0  0
  4 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  2  0  0  0  0
 11 16  1  0  0  0  0
 11 17  2  0  0  0  0
 13 18  1  0  0  0  0
 14 19  2  0  0  0  0
 16 20  2  0  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
 20 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 10 13  1  0  0  0  0
 15 19  1  0  0  0  0
 21 23  2  0  0  0  0
M  END
>  <Mol_ID> (507)
507

>  <Formula> (507)
C22H27NO2

>  <MolWeight> (507)
337.45528

>  <COMPOUND_NAME> (507)
GI-557200

>  <BAR_CODE_NO> (507)
3901304

$$$$
GI-558712
csChFnd80/06171916322D

 28 30  0  0  0  0  0  0  0  0999 V2000
    2.4253   -1.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1598   -0.8383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7322   -0.8383    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4081   -2.0970    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8874   -1.2797    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1598   -0.1763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0598   -1.1728    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.1426   -2.5176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8874   -2.1038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6805    0.2479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3495   -0.7935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5702   -1.6659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4322   -1.6280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3322    0.0030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3402   -1.2176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3747    0.3996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0402   -0.8314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0574   -0.0211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7574    0.3651    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7781    1.1720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4678    1.5686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0678    1.5479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4678    2.4099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1954    1.1444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1954    2.8341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9229    1.5686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9229    2.4099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6402    2.7617    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  2  0  0  0  0
  7 13  2  0  0  0  0
 11 14  2  0  0  0  0
 11 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
 21 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  2  0  0  0  0
 27 28  1  0  0  0  0
  8  9  1  0  0  0  0
 17 18  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (508)
508

>  <Formula> (508)
C18H15ClN4O4S

>  <MolWeight> (508)
418.8541

>  <COMPOUND_NAME> (508)
GI-558712

>  <BAR_CODE_NO> (508)
3899537

$$$$
GI-568769
csChFnd80/06171916322D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -1.7728   -0.2337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8866    0.2560    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5383    0.4732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0004   -1.2716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0694    1.3008    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0168   -0.1475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1004    1.4353    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5487    0.1767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0107   -1.5889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6306    0.6560    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7970   -0.8613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5720    0.3560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8134   -0.6682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3341    1.0767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8168   -0.9682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3410    0.7836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5893   -0.2371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6099   -0.5371    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  6 10  1  0  0  0  0
  8 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
  5  7  2  0  0  0  0
  9 11  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (509)
509

>  <Formula> (509)
C13H11ClN4

>  <MolWeight> (509)
258.70624

>  <COMPOUND_NAME> (509)
GI-568769

>  <BAR_CODE_NO> (509)
3901238

$$$$
SD-219264
csChFnd80/06171916322D

 30 32  0  0  0  0  0  0  0  0999 V2000
   -3.3414   -0.1378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9345   -0.8654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9172    0.5725    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1655   -0.1240    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1034   -0.8792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3172    1.2967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5655    0.5967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2793   -0.8861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1172   -1.7033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0931   -0.0516    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1414    1.3104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8966    2.0104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3931    0.6104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8793   -1.6102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8586   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0552   -1.6240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0276   -0.1896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3724   -0.9102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1966   -0.9240    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6207   -0.2137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4448   -0.2275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2207    0.5001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8724    0.4760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7034    0.4622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1034   -0.2516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1207    1.1725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9345   -0.2654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9552    1.1587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3586    0.4380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1828    0.4380    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  2  0  0  0  0
  8 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  2  0  0  0  0
 27 29  2  0  0  0  0
 29 30  1  0  0  0  0
  7 11  1  0  0  0  0
 17 18  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (510)
510

>  <Formula> (510)
C20H19ClN4O4S

>  <MolWeight> (510)
446.90726

>  <COMPOUND_NAME> (510)
SD-219264

>  <BAR_CODE_NO> (510)
3900098

$$$$
WAY-113322
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -1.9998    0.6308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8964    0.6308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5515   -0.3174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5343    1.5722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3826    1.5550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3619   -0.3174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0343   -1.2450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6515   -0.3071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7036    1.5826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7381   -0.3174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5722   -2.1899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2205   -1.2381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2795    0.6446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6619   -2.1933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3657    0.6550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1826   -3.1450    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.9002    1.5929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9174   -0.2899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9864    1.6067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0036   -0.2761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5381    0.6722    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6174    0.6929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 10 13  2  0  0  0  0
 12 14  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (511)
511

>  <Formula> (511)
C18H19FN2O

>  <MolWeight> (511)
298.3546632

>  <COMPOUND_NAME> (511)
WAY-113322

>  <BAR_CODE_NO> (511)
3900443

$$$$
WAY-113676
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
    3.7077    4.7754    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5056    5.9017    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7077    7.0282    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4287    5.1624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2240    3.4144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4287    6.5705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6085    3.1561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0544    1.8304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2736    2.3465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4390    1.5839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1734    4.4938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1734    7.3097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3423    2.6634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8849    0.2696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.1624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.5705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2927    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7151    2.3936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1845    1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  2  0  0  0  0
  9  5  2  0  0  0  0
 10  8  1  0  0  0  0
 11  4  2  0  0  0  0
 12  6  2  0  0  0  0
 13 10  2  0  0  0  0
 14 10  1  0  0  0  0
 15 11  1  0  0  0  0
 16 15  2  0  0  0  0
 17 14  2  0  0  0  0
 18 13  1  0  0  0  0
 19 17  1  0  0  0  0
  3  6  1  0  0  0  0
 12 16  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (512)
512

>  <Formula> (512)
C15H11N3O

>  <MolWeight> (512)
249.26734

>  <COMPOUND_NAME> (512)
WAY-113676

>  <BAR_CODE_NO> (512)
3901055

$$$$
WAY-113729
csChFnd80/06171916322D

 23 24  0  0  0  0  0  0  0  0999 V2000
   -0.5792    0.6174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8033    1.3105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5792   -0.8446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6829    1.3416    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0654    0.6174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8413   -1.5688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0829    1.3416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0654   -0.8446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2792    1.3588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8551   -2.9688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2104    0.4588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4346    2.7347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5171    0.6795    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2275    2.7968    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6275   -3.6826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1068   -3.6653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5587    0.9312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5171   -0.7584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6413   -5.0584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5587    2.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6587    0.2105    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.7587    2.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7587    0.9312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  2  0  0  0  0
  9 13  1  0  0  0  0
  9 14  2  0  0  0  0
 10 15  1  0  0  0  0
 10 16  2  0  0  0  0
 11 17  1  0  0  0  0
 13 18  1  0  0  0  0
 15 19  1  0  0  0  0
 17 20  2  0  0  0  0
 17 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
  6  8  2  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (513)
513

>  <Formula> (513)
C16H15NO5S

>  <MolWeight> (513)
333.359

>  <COMPOUND_NAME> (513)
WAY-113729

>  <BAR_CODE_NO> (513)
3899312

$$$$
WAY-114004
csChFnd80/06171916322D

 20 21  0  0  0  0  0  0  0  0999 V2000
    1.3516   11.0742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0515   12.2700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0515    9.8006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2002    8.5463    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3003    2.4502    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4225    9.8006    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.5226    3.7335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4225    7.3503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4225   12.2700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1226    6.0961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1226   11.0742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1226    3.7335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2227    4.9003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4225    4.9003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5226    6.0961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5226    1.2153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0875   10.2963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.5505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1226    1.2153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2227    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  3  1  0  0  0  0
  7 13  1  0  0  0  0
  8  4  1  0  0  0  0
  9  2  1  0  0  0  0
 10  8  1  0  0  0  0
 11  6  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 10  2  0  0  0  0
 15 10  1  0  0  0  0
 16  5  1  0  0  0  0
 17  1  1  0  0  0  0
 18  1  1  0  0  0  0
 19 16  1  0  0  0  0
 20 16  1  0  0  0  0
  9 11  1  0  0  0  0
  7 12  2  0  0  0  0
M  END
>  <Mol_ID> (514)
514

>  <Formula> (514)
C17H27NO2

>  <MolWeight> (514)
277.40178

>  <COMPOUND_NAME> (514)
WAY-114004

>  <BAR_CODE_NO> (514)
3899869

$$$$
WAY-115363
csChFnd80/06171916322D

 15 16  0  0  0  0  0  0  0  0999 V2000
    0.4757    0.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1450    0.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1067    0.6034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4550   -0.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7933    0.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1243    1.3724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7239    0.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0757   -0.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7933   -0.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4347    0.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7067   -0.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4347   -0.8069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0761    0.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3343   -0.8276    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.0761   -0.4448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  7 11  1  0  0  0  0
  9 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
  8 11  2  0  0  0  0
 13 15  2  0  0  0  0
M  END
>  <Mol_ID> (515)
515

>  <Formula> (515)
C12H8BrNO

>  <MolWeight> (515)
262.10202

>  <COMPOUND_NAME> (515)
WAY-115363

>  <BAR_CODE_NO> (515)
3901286

$$$$
WAY-115602
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -1.7908   -0.0804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6390   -0.2700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5011    0.7541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1770   -0.7217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2080    0.3714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9011   -1.1011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6528    0.9576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3321   -0.5183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0839    0.1679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7459   -1.2907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0701    0.3162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3459   -0.6493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8368    0.5334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4196   -0.1390    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0989    1.3645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2679    0.0679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8782   -0.6045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5575    0.8679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7127   -0.4286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4058    1.0748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9886    0.4162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2817   -1.0873    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
  8 11  2  0  0  0  0
 10 12  2  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (516)
516

>  <Formula> (516)
C19H15NO2

>  <MolWeight> (516)
289.3279

>  <COMPOUND_NAME> (516)
WAY-115602

>  <BAR_CODE_NO> (516)
3900615

$$$$
WAY-116085
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
    2.8791    0.2825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5067   -0.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2446    1.0825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9032    0.2169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4964   -0.8175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2964   -1.3106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2343    0.9307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1619   -0.7624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8584   -0.0106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1519   -0.1693    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7795    0.6238    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7174    0.2169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0653    1.1894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2657    1.5238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5381    0.8238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8347   -0.7900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4761    0.4169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7657   -1.1969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5933   -0.5900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5243   -0.9969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  2  0  0  0  0
 12 15  1  0  0  0  0
 12 16  2  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  2  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (517)
517

>  <Formula> (517)
C14H13NO4S

>  <MolWeight> (517)
291.32232

>  <COMPOUND_NAME> (517)
WAY-116085

>  <BAR_CODE_NO> (517)
3899512

$$$$
WAY-243249
csChFnd80/06171916322D

 22 23  0  0  0  0  0  0  0  0999 V2000
   -1.4589   -1.7657    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7244   -2.1519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4865   -0.9381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1589   -2.1657    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0210   -1.7174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7762   -0.5036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8451   -2.0243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4072   -3.1036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5072   -2.8726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0589   -0.8899    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3244   -2.4726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6618   -0.4864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6273    0.4619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4756   -0.9416    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4031    0.9481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4790    1.8757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3273    2.2964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6928    2.4101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4135    3.2481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7790    3.3584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6549    3.7757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2549    3.6584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  7 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
  6 10  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (518)
518

>  <Formula> (518)
C15H22N2O4S

>  <MolWeight> (518)
326.41118

>  <COMPOUND_NAME> (518)
WAY-243249

>  <BAR_CODE_NO> (518)
3901351

$$$$
WAY-298009
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    0.0103   -0.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7138    1.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7310   -1.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4759   -0.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2000    1.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0103    2.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2000   -1.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0241   -2.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2172    1.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1793   -1.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9379   -0.0034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7138    3.8103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2966    2.5966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7862   -3.8172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4241   -2.5276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7000    1.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6655   -1.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4241    0.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0103    5.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0448   -5.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4034   -0.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7138   -0.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6931    0.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8552   -0.0552    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  2  0  0  0  0
  8 14  1  0  0  0  0
  8 15  2  0  0  0  0
  9 16  1  0  0  0  0
 10 17  2  0  0  0  0
 11 18  1  0  0  0  0
 12 19  1  0  0  0  0
 14 20  1  0  0  0  0
 16 21  2  0  0  0  0
 18 22  1  0  0  0  0
 18 23  1  0  0  0  0
 21 24  1  0  0  0  0
  7 11  1  0  0  0  0
 17 21  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (519)
519

>  <Formula> (519)
C18H18ClNO4

>  <MolWeight> (519)
347.79282

>  <COMPOUND_NAME> (519)
WAY-298009

>  <BAR_CODE_NO> (519)
3899322

$$$$
WAY-298015
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
    0.1069    0.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1069    0.6276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6069   -0.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3517   -0.1897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3517    0.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6069    0.7862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9069    0.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8069   -0.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8310    0.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8310    0.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3517    1.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3483   -0.7138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4483   -1.0138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2793   -0.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1828    1.4276    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8931    1.4276    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3517    1.9655    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6828   -0.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2793   -0.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7517    0.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2207   -0.3897    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.7310   -1.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1931   -0.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5828    0.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5069   -0.8517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1931   -0.7517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0690   -0.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0207   -0.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6517   -1.0517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1414   -0.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
 14 19  2  0  0  0  0
 14 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  2  0  0  0  0
 21 24  1  0  0  0  0
 21 25  1  0  0  0  0
 22 26  2  0  0  0  0
 24 27  1  0  0  0  0
 25 28  1  0  0  0  0
 26 29  1  0  0  0  0
 29 30  1  0  0  0  0
  6  7  2  0  0  0  0
  9 10  1  0  0  0  0
 23 26  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (520)
520

>  <Formula> (520)
C20H19F3N4O3

>  <MolWeight> (520)
420.3850696

>  <COMPOUND_NAME> (520)
WAY-298015

>  <BAR_CODE_NO> (520)
3899328

$$$$
WAY-298023
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -1.3586   -0.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5793    0.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3586   -1.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1586    0.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5793    1.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2207   -0.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5793   -1.6862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1586   -1.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9586   -0.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2207    1.5345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3586    1.5345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2207   -1.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9586   -1.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0207    1.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0414   -1.7069    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.8207    1.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0207    0.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6207    1.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8034   -0.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6207    0.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4138    1.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  8 13  2  0  0  0  0
 10 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
  7 12  2  0  0  0  0
  9 13  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (521)
521

>  <Formula> (521)
C17H13ClN2O

>  <MolWeight> (521)
296.75092

>  <COMPOUND_NAME> (521)
WAY-298023

>  <BAR_CODE_NO> (521)
3899338

$$$$
WAY-298026
csChFnd80/06171916322D

 22 25  0  0  0  0  0  0  0  0999 V2000
   -0.7034   -0.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4138   -0.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0069   -0.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7069    0.5483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4138   -1.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1310   -0.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7138   -0.2552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0172   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0103    0.9621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4241    0.9586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7000   -1.9172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1276   -1.9207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8414   -0.6828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7069    0.5621    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.8448   -1.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4138    0.9828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1345    0.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4069    1.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8448    0.9897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1241   -0.2483    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.1138    2.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8379    1.8172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  2  0  0  0  0
 19 22  2  0  0  0  0
  8 11  2  0  0  0  0
  9 14  1  0  0  0  0
 13 15  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (522)
522

>  <Formula> (522)
C19H14FNO

>  <MolWeight> (522)
291.3189632

>  <COMPOUND_NAME> (522)
WAY-298026

>  <BAR_CODE_NO> (522)
3899342

$$$$
WAY-298028
csChFnd80/06171916322D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -1.4793   -0.4499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4793   -0.7740    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5689   -0.9775    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4724    0.5846    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0931    0.0742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3345   -0.4499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4620    0.8984    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1620    0.0846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2483   -0.9775    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3345    0.5915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6896    1.0053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1690   -0.4499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1690    0.5846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0793   -0.9775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0897    1.1087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9828   -0.4602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    0.5846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  2  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
  5  7  2  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (523)
523

>  <Formula> (523)
C11H12N4OS

>  <MolWeight> (523)
248.30418

>  <COMPOUND_NAME> (523)
WAY-298028

>  <BAR_CODE_NO> (523)
3899344

$$$$
WAY-298036
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.2138   -1.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4724   -0.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9138   -0.6345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2138   -1.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4724    0.1690    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.1552   -1.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9138    0.1690    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.5931   -1.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4724   -2.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2138    0.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1552    0.5655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1552   -1.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5931    0.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5931   -1.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2828   -0.6345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1552    1.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2793   -2.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414    1.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4724    1.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414    2.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4724    2.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1552    2.9414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  2  0  0  0  0
 11 16  1  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
  7 10  1  0  0  0  0
  9 12  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (524)
524

>  <Formula> (524)
C19H22N2O

>  <MolWeight> (524)
294.39078

>  <COMPOUND_NAME> (524)
WAY-298036

>  <BAR_CODE_NO> (524)
3899352

$$$$
WAY-298040
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -1.8019   -0.4262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6674   -0.7607    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6812    0.4979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0605   -1.0193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3812   -0.1710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8191   -1.7021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8019    0.8600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1812   -0.6538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2915   -0.4883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7157   -2.0193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0605    0.3014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4570   -1.4124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8050    0.6496    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5326    0.0876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4119    0.4221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3671   -0.8228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5637    1.3462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1119   -0.1710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4292    1.6669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9740    0.1634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1119    1.0738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6119    2.5772    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
  8 11  2  0  0  0  0
 10 12  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (525)
525

>  <Formula> (525)
C17H17BrN2O2

>  <MolWeight> (525)
361.23308

>  <COMPOUND_NAME> (525)
WAY-298040

>  <BAR_CODE_NO> (525)
3899358

$$$$
WAY-298046
csChFnd80/06171916322D

 22 23  0  0  0  0  0  0  0  0999 V2000
    1.9276   -0.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9276   -1.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1207    0.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7483    0.0759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1207   -1.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7483   -1.8034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3103   -0.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7276    1.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3103   -1.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7276   -2.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5207    0.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5379    1.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5379   -3.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4517    0.0552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0379    0.7552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3897    0.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8793    0.8069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4897    1.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8310    0.7448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9621    2.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3621    1.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9000    2.3655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
  7  9  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (526)
526

>  <Formula> (526)
C17H20N2O3

>  <MolWeight> (526)
300.3523

>  <COMPOUND_NAME> (526)
WAY-298046

>  <BAR_CODE_NO> (526)
3899369

$$$$
WAY-298066
csChFnd80/06171916322D

 29 33  0  0  0  0  0  0  0  0999 V2000
    0.8862    0.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1621    0.4517    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.5966    0.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0621   -0.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0690   -0.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1724    1.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2103   -0.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5931    1.2759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8724   -0.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5103   -1.3828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0690   -1.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7828    0.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8862    1.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5448    1.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0310    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3621   -1.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7897   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5034   -0.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7759    0.9759    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.8862    2.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5379    2.5138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2552    1.2793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5172   -0.6759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1862   -1.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5034   -1.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9655   -2.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2517    2.9310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1138   -1.6345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7759   -2.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  6 13  2  0  0  0  0
  6 14  1  0  0  0  0
  7 15  1  0  0  0  0
  9 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  2  0  0  0  0
 12 19  1  0  0  0  0
 13 20  1  0  0  0  0
 14 21  1  0  0  0  0
 14 22  2  0  0  0  0
 15 23  2  0  0  0  0
 16 24  2  0  0  0  0
 17 25  2  0  0  0  0
 17 26  1  0  0  0  0
 21 27  1  0  0  0  0
 25 28  1  0  0  0  0
 26 29  1  0  0  0  0
  7  9  2  0  0  0  0
  8 13  1  0  0  0  0
 18 25  1  0  0  0  0
 23 24  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (527)
527

>  <Formula> (527)
C22H16BrNO5

>  <MolWeight> (527)
454.27014

>  <COMPOUND_NAME> (527)
WAY-298066

>  <BAR_CODE_NO> (527)
3899391

$$$$
WAY-298073
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -2.5002   -0.1351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5002   -1.3213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4692    0.4856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5588    0.4856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4692   -1.9213    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5588   -1.9213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4312   -0.1351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4692    1.6787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6071   -0.1351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4312   -1.3213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4864   -3.1213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6071   -1.3213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6619    0.4649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6619   -1.9006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6929   -0.1523    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6791    1.6787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7412    0.4477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7412    1.6615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7688   -0.1523    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7929    2.2615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6998    2.2615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8170    0.4649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8308    1.6477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
 10 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
  7 10  1  0  0  0  0
  9 12  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (528)
528

>  <Formula> (528)
C17H15N3O3

>  <MolWeight> (528)
309.3193

>  <COMPOUND_NAME> (528)
WAY-298073

>  <BAR_CODE_NO> (528)
3899405

$$$$
WAY-298077
csChFnd80/06171916322D

 19 20  0  0  0  0  0  0  0  0999 V2000
    1.9621   -3.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2862   -1.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2345   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2862   -4.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9138   -0.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9034   -4.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9414   -5.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2448    0.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2793   -5.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0448    0.3517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8828    1.4793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6793    1.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9483    1.5207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5759    2.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8345    2.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9483    3.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4793    3.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5586    4.8241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8655    4.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
  7  9  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (529)
529

>  <Formula> (529)
C17H21NO

>  <MolWeight> (529)
255.35474

>  <COMPOUND_NAME> (529)
WAY-298077

>  <BAR_CODE_NO> (529)
3899412

$$$$
WAY-298079
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    2.0506   -0.5122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9886   -0.5122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5989   -1.4363    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5989    0.4154    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4403    0.4154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4403   -1.4363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6575   -1.4363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6575    0.4154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6218    0.4154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6218   -1.4363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2093   -0.5122    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1782   -2.3605    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1782    1.3361    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1700   -0.5122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2390   -0.5122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7666    0.4154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8597    0.4257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2494    1.3499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3907    1.3671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4045   -0.4846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7976    2.2912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8769    2.3050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
  8 11  1  0  0  0  0
 10 14  2  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (530)
530

>  <Formula> (530)
C16H15N5O

>  <MolWeight> (530)
293.3232

>  <COMPOUND_NAME> (530)
WAY-298079

>  <BAR_CODE_NO> (530)
3899414

$$$$
WAY-118529-A
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.3586   -1.1377    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0517   -1.5653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3931   -1.5343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3897   -0.3343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6586   -1.2653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0034   -2.5860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0931   -1.1032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3207    0.1140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3414   -1.6860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6897   -0.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0483   -0.2860    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0586   -1.3343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4034   -0.0895    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7724    0.1140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0897   -0.5343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7931    0.9657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0966    1.3623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4483    1.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0931    2.1140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4414    2.1140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7724    2.5105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7724    3.2657    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 21 22  1  0  0  0  0
  8 11  1  0  0  0  0
 13 15  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (531)
531

>  <Formula> (531)
C17H18FN3O

>  <MolWeight> (531)
299.3427232

>  <COMPOUND_NAME> (531)
WAY-118529-A

>  <BAR_CODE_NO> (531)
3900631

$$$$
WAY-119171
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
   14.3055  -14.2265    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.5470   -8.0395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0835   -8.9850    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1575  -10.7585    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0100   -8.9850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0540   -8.9850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4730   -8.0395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7685  -13.3595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3055  -16.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.6945  -11.5860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0540  -10.7585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7490   -8.3940    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8425  -13.3595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7490  -11.2710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6205   -8.0495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0835  -10.7585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1575   -8.9850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6205  -11.5960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8130   -9.8130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5470   -6.2660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0100  -10.7585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4730  -11.5960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2315  -14.2265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6895  -11.5860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1525  -10.6800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6945  -13.3595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3 16  1  0  0  0  0
  4 10  1  0  0  0  0
  5  2  1  0  0  0  0
  6  7  1  0  0  0  0
  7  5  2  0  0  0  0
  8  1  1  0  0  0  0
  9  1  1  0  0  0  0
 10 25  1  0  0  0  0
 11 22  1  0  0  0  0
 12  6  1  0  0  0  0
 13  1  2  0  0  0  0
 14 11  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17  4  1  0  0  0  0
 18  4  1  0  0  0  0
 19 12  1  0  0  0  0
 20  2  2  0  0  0  0
 21  5  1  0  0  0  0
 22 21  2  0  0  0  0
 23  8  2  0  0  0  0
 24  8  1  0  0  0  0
 25 24  2  0  0  0  0
 26 23  1  0  0  0  0
 10 26  2  0  0  0  0
  3 15  1  0  0  0  0
 11  6  2  0  0  0  0
 14 19  1  0  0  0  0
M  END
>  <Mol_ID> (532)
532

>  <Formula> (532)
C18H17N3O5

>  <MolWeight> (532)
355.34468

>  <COMPOUND_NAME> (532)
WAY-119171

>  <BAR_CODE_NO> (532)
3900639

$$$$
WAY-119261
csChFnd80/06171916322D

 16 18  0  0  0  0  0  0  0  0999 V2000
   -0.7285    0.6595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5681    0.6595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7285   -0.6612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8974    1.3181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5681   -0.6612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7991    1.4285    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3922   -1.3164    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8974   -1.3164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0699    0.6595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7991   -1.4164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0508    0.7112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0699   -0.6612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3181    1.3664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0508   -0.7095    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7991   -2.8612    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3181    2.8009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  8 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  2  0  0  0  0
 10 15  1  0  0  0  0
 13 16  1  0  0  0  0
  5  7  1  0  0  0  0
  9 12  1  0  0  0  0
 11 14  1  0  0  0  0
M  END
>  <Mol_ID> (533)
533

>  <Formula> (533)
C11H9N3OS

>  <MolWeight> (533)
231.27366

>  <COMPOUND_NAME> (533)
WAY-119261

>  <BAR_CODE_NO> (533)
3899541

$$$$
WAY-119939-A
csChFnd80/06171916322D

 18 19  0  0  0  0  0  0  0  0999 V2000
    4.8613    4.8994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0815    8.4070    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8613    6.3291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6603    4.2131    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6603    2.8215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4403    2.0905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0815    4.2131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0815    7.0155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4403    0.7052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1821    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0711    9.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3015    9.1060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8613    0.7052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8613    2.1287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6603    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6748   10.6312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0282   10.4977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  8  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  1  2  0  0  0  0
  8  3  1  0  0  0  0
  9  6  1  0  0  0  0
 10  9  1  0  0  0  0
 11  2  1  0  0  0  0
 12  2  1  0  0  0  0
 13 14  2  0  0  0  0
 14  5  1  0  0  0  0
 15 13  1  0  0  0  0
 16 10  1  0  0  0  0
 17 11  1  0  0  0  0
 18 12  1  0  0  0  0
 15  9  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (534)
534

>  <Formula> (534)
C14H20N2O2

>  <MolWeight> (534)
248.3208

>  <COMPOUND_NAME> (534)
WAY-119939-A

>  <BAR_CODE_NO> (534)
3900814

$$$$
WAY-216052-A
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
    3.6850    8.2721    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8879    8.9631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6850   11.0550    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8879   10.3642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5409    8.3169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7170    6.8710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4375    8.9823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1162    8.2721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4375   10.3451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3252    8.9823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5526    6.2185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7170    4.1457    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1611    2.7445    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1162   11.0550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8879    6.0266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3252   10.3451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5335    4.8366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7501    7.6580    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.1935    9.5452    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.8819    7.0886    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7618    2.7445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9134    4.8174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1419    4.1457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9645    2.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2092    8.2721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3894    2.0728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2092   11.0550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5729    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3894    0.6908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.9823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.3451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  9  1  0  0  0  0
  4  2  2  0  0  0  0
  5 10  1  0  0  0  0
  6  1  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  7  2  0  0  0  0
 10  8  2  0  0  0  0
 11  6  1  0  0  0  0
 12 17  1  0  0  0  0
 13 23  1  0  0  0  0
 14  4  1  0  0  0  0
 15  6  2  0  0  0  0
 16 10  1  0  0  0  0
 17 11  1  0  0  0  0
 18  5  1  0  0  0  0
 19  5  1  0  0  0  0
 20  5  1  0  0  0  0
 21 12  1  0  0  0  0
 22 12  1  0  0  0  0
 23 22  1  0  0  0  0
 24 21  1  0  0  0  0
 25  7  1  0  0  0  0
 26 13  1  0  0  0  0
 27  9  1  0  0  0  0
 28 29  1  0  0  0  0
 29 26  1  0  0  0  0
 30 25  2  0  0  0  0
 31 30  1  0  0  0  0
  3  4  1  0  0  0  0
 27 31  2  0  0  0  0
 14 16  2  0  0  0  0
 24 13  1  0  0  0  0
M  END
>  <Mol_ID> (535)
535

>  <Formula> (535)
C22H24F3N3O2S

>  <MolWeight> (535)
451.5050696

>  <COMPOUND_NAME> (535)
WAY-216052-A

>  <BAR_CODE_NO> (535)
3899366

$$$$
WAY-216355
csChFnd80/06171916322D

 17 19  0  0  0  0  0  0  0  0999 V2000
    4.5398    2.5286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9455    2.6651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7490    1.3572    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7490    3.6024    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.8827    1.6400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0935    2.2552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9664    3.6024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5998    3.8367    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3822    1.7866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3822    3.1923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9915    4.5396    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.6875    0.2343    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2176    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2108    1.0835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2108    3.8952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  5  1  0  0  0  0
  7  8  1  0  0  0  0
  8  2  1  0  0  0  0
  9  3  1  0  0  0  0
 10  4  1  0  0  0  0
 11  7  2  0  0  0  0
 12  5  2  0  0  0  0
 13  3  1  0  0  0  0
 14  9  1  0  0  0  0
 15 10  1  0  0  0  0
 16 14  2  0  0  0  0
 17 15  2  0  0  0  0
  9 10  2  0  0  0  0
  7  6  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (536)
536

>  <Formula> (536)
C11H8N2OS3

>  <MolWeight> (536)
280.38902

>  <COMPOUND_NAME> (536)
WAY-216355

>  <BAR_CODE_NO> (536)
3900136

$$$$
WAY-216774
csChFnd80/06171916322D

 21 22  0  0  0  0  0  0  0  0999 V2000
    1.6320   -0.9891    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0680    2.0068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0680    2.9943    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9305    1.4943    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6528    0.0026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6320   -0.9891    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6320   -1.0141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8055    2.0068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9305    3.5068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8055    2.9943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6320   -2.0099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7945    1.4943    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7945    0.5109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7695   -2.4891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9305    4.4943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6847    1.4943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7695   -3.5099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0847   -2.0099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0847   -3.9891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9680   -2.4891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9472   -3.5099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 12  1  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  2  0  0  0  0
  7  1  2  0  0  0  0
  8  4  2  0  0  0  0
  9  3  1  0  0  0  0
 10  8  1  0  0  0  0
 11  1  1  0  0  0  0
 12 13  1  0  0  0  0
 13  5  1  0  0  0  0
 14 11  1  0  0  0  0
 15  9  1  0  0  0  0
 16  8  1  0  0  0  0
 17 14  1  0  0  0  0
 18 14  2  0  0  0  0
 19 17  2  0  0  0  0
 20 18  1  0  0  0  0
 21 20  2  0  0  0  0
 19 21  1  0  0  0  0
  9 10  2  0  0  0  0
M  END
>  <Mol_ID> (537)
537

>  <Formula> (537)
C15H18N2O2S2

>  <MolWeight> (537)
322.44562

>  <COMPOUND_NAME> (537)
WAY-216774

>  <BAR_CODE_NO> (537)
3901164

$$$$
WAY-217244
csChFnd80/06171916322D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -0.9367    0.4070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4492   -0.2680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3758   -0.2680    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3492    1.6820    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6784    1.1945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7617    0.4070    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6258   -1.0555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0159    1.1945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7117   -1.0555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0367   -1.5305    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4008   -1.3180    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8008   -1.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4133   -0.4805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1091    1.4445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7992    1.4445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0133   -0.7680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  1  0  0  0  0
  7  3  2  0  0  0  0
  8  6  1  0  0  0  0
  9  2  2  0  0  0  0
 10  9  1  0  0  0  0
 11  7  1  0  0  0  0
 12 16  1  0  0  0  0
 13 12  2  0  0  0  0
 14  5  1  0  0  0  0
 15  8  1  0  0  0  0
 16 11  1  0  0  0  0
  8  4  2  0  0  0  0
  7 10  1  0  0  0  0
M  END
>  <Mol_ID> (538)
538

>  <Formula> (538)
C11H13N3S2

>  <MolWeight> (538)
251.37102

>  <COMPOUND_NAME> (538)
WAY-217244

>  <BAR_CODE_NO> (538)
3899538

$$$$
WAY-217389
csChFnd80/06171916322D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -1.0844   -0.4580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0122   -0.4580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5982    0.4696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6395   -1.4097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5053    0.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6740    0.4696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7154   -1.3476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5605    0.5110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2326   -0.3959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3846   -0.2718    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0984    1.5041    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3464   -0.3959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2950    0.2455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1708    1.3179    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2639   -0.2718    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
  7  9  2  0  0  0  0
 13 14  2  0  0  0  0
M  END
>  <Mol_ID> (539)
539

>  <Formula> (539)
C10H11N3OS

>  <MolWeight> (539)
221.27884

>  <COMPOUND_NAME> (539)
WAY-217389

>  <BAR_CODE_NO> (539)
3899618

$$$$
WAY-217777
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -0.7656    1.0665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0181    0.7214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3205    0.4578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0153    1.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1135   -0.1006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9182   -0.2671    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1270    0.6295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8200    2.0274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3149   -1.4638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4936   -0.6591    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9237   -2.0240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3750    1.4186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4742   -1.7118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6965    1.1325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4093    0.7214    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6965    1.9562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7343   -2.4940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1350   -1.2193    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5633   -2.4871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8113   -1.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9632    0.2271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7811    1.0423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3597   -0.3296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9903    1.2851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5636   -0.0816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 15 25  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  7 12  1  0  0  0  0
  5  6  1  0  0  0  0
  8 12  1  0  0  0  0
 10  5  1  0  0  0  0
 13 17  2  0  0  0  0
 13 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 20  2  0  0  0  0
  9 13  1  0  0  0  0
 14  2  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 15 24  1  0  0  0  0
M  END
>  <Mol_ID> (540)
540

>  <Formula> (540)
C19H22N2O2S2

>  <MolWeight> (540)
374.52018

>  <COMPOUND_NAME> (540)
WAY-217777

>  <BAR_CODE_NO> (540)
3899341

$$$$
WAY-218041
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    1.8450   -6.8900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9980   -8.4180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9215   -5.3430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7665   -7.8125    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.7375   -5.8910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3425   -8.8890    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4560  -11.1090    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9645  -12.2235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4215  -10.2340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0480   -6.9190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3160   -3.5460    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6095   -9.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7260  -11.8870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0720   -8.0820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1500  -10.7915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7915  -14.0780    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6945  -11.4260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9705   -8.5720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9995   -5.3045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2705  -12.5405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -11.7620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8830   -5.3045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8445   -8.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8340   -6.9575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  7 13  1  0  0  0  0
  8  7  1  0  0  0  0
  9  2  2  0  0  0  0
 10  1  1  0  0  0  0
 11  3  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14  6  1  0  0  0  0
 15  6  1  0  0  0  0
 16  8  2  0  0  0  0
 17  8  1  0  0  0  0
 18 10  1  0  0  0  0
 19 10  2  0  0  0  0
 20 17  1  0  0  0  0
 21 20  1  0  0  0  0
 22 19  1  0  0  0  0
 23 18  2  0  0  0  0
 24 22  2  0  0  0  0
  5  4  1  0  0  0  0
 23 24  1  0  0  0  0
  7 12  1  0  0  0  0
M  END
>  <Mol_ID> (541)
541

>  <Formula> (541)
C17H21N3O4

>  <MolWeight> (541)
331.36634

>  <COMPOUND_NAME> (541)
WAY-218041

>  <BAR_CODE_NO> (541)
3899938

$$$$
WAY-218065
csChFnd80/06171916322D

 18 19  0  0  0  0  0  0  0  0999 V2000
    1.4042    2.1561    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6313    1.4752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6737    3.5533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6527    2.4328    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.0640    3.7095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0216    2.1561    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1281    1.3262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8014    0.1064    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7235    4.5960    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7664    1.6170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9507    3.2341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4684    0.8510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5892    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3196    2.9435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8301    0.5602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0644    2.3830    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1276    1.5816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.1914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  7 10  1  0  0  0  0
  8  2  2  0  0  0  0
  9  3  2  0  0  0  0
 10 15  1  0  0  0  0
 11  6  1  0  0  0  0
 12  6  1  0  0  0  0
 13  7  2  0  0  0  0
 14 11  1  0  0  0  0
 15 12  1  0  0  0  0
 16  7  1  0  0  0  0
 17  1  1  0  0  0  0
 18 17  1  0  0  0  0
  4  5  1  0  0  0  0
 14 10  1  0  0  0  0
M  END
>  <Mol_ID> (542)
542

>  <Formula> (542)
C12H19N3O3

>  <MolWeight> (542)
253.29756

>  <COMPOUND_NAME> (542)
WAY-218065

>  <BAR_CODE_NO> (542)
3900941

$$$$
WAY-218953
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
    6.1642    3.5380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9849    4.2325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7911    3.5380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0067    1.4470    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7911    2.1415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3798    4.2543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1860    2.1489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4962    8.5736    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3580    5.6435    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9704    5.6578    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6046    1.4470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.0422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5736    3.5596    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6046    4.2325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7116    6.3740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7116    7.8718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4889   10.0422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2517    7.8718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3892    3.5307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3892    2.1415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.5736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2372   10.7441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6046    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5736    2.1706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7890    1.4760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  7  2  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  1  1  0  0  0  0
  8 16  1  0  0  0  0
  9  6  2  0  0  0  0
 10  2  1  0  0  0  0
 11  5  2  0  0  0  0
 12 21  1  0  0  0  0
 13  6  1  0  0  0  0
 14  3  2  0  0  0  0
 15 10  1  0  0  0  0
 16 15  1  0  0  0  0
 17  8  1  0  0  0  0
 18  8  1  0  0  0  0
 19 14  1  0  0  0  0
 20 11  1  0  0  0  0
 21 18  1  0  0  0  0
 22 17  1  0  0  0  0
 23 11  1  0  0  0  0
 24 13  1  0  0  0  0
 25 24  1  0  0  0  0
  3  5  1  0  0  0  0
 19 20  2  0  0  0  0
 22 12  1  0  0  0  0
M  END
>  <Mol_ID> (543)
543

>  <Formula> (543)
C19H25N3O3

>  <MolWeight> (543)
343.4201

>  <COMPOUND_NAME> (543)
WAY-218953

>  <BAR_CODE_NO> (543)
3900776

$$$$
WAY-222764
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.6857   -0.3355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6857    0.7369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6443   -0.8941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2729   -0.8941    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6443    1.3024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2729    1.3024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5926   -0.3355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2281   -0.3735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5926    0.7369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2729    0.9024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2729    2.4162    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5168   -0.8941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2108   -0.7941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2177    0.5645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5168    1.3024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0108    1.4334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4719   -0.3355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0936   -0.1424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3281   -1.8804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4719    0.7369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0970   -0.5804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3281   -2.3114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2177   -1.6631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  2  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 12 17  1  0  0  0  0
 13 18  2  0  0  0  0
 13 19  1  0  0  0  0
 15 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  2  0  0  0  0
 21 23  2  0  0  0  0
  7  9  1  0  0  0  0
 17 20  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (544)
544

>  <Formula> (544)
C18H17NO4

>  <MolWeight> (544)
311.33188

>  <COMPOUND_NAME> (544)
WAY-222764

>  <BAR_CODE_NO> (544)
3900093

$$$$
WAY-225153
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
    4.6045    4.0074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8085    5.1585    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6399    6.2885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9687    4.4622    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8085    2.9062    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9687    5.8266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4727    4.7536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4727    3.3253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2420    7.6526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8992    8.0150    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2420    1.5774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6064    1.3074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0540    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2013    8.6545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1340    6.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2293    5.4357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2293    2.6218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8104    9.9975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.7536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  2  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  3  1  0  0  0  0
 10  9  2  0  0  0  0
 11  5  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14  9  1  0  0  0  0
 15  6  1  0  0  0  0
 16  7  1  0  0  0  0
 17  8  1  0  0  0  0
 18 14  1  0  0  0  0
 19 16  2  0  0  0  0
 20 17  2  0  0  0  0
  7  8  2  0  0  0  0
  6  3  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (545)
545

>  <Formula> (545)
C15H15N3O2

>  <MolWeight> (545)
269.2985

>  <COMPOUND_NAME> (545)
WAY-225153

>  <BAR_CODE_NO> (545)
3900107

$$$$
WAY-225456
csChFnd80/06171916322D

 17 17  0  0  0  0  0  0  0  0999 V2000
   -0.6381   -0.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3485    0.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6381   -1.0897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0895    0.1483    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0623   -0.2655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3485    0.9724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3485   -1.5034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0895    0.9724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0623   -1.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7998    1.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7864   -1.5172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5205    0.9724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7998    2.2172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5205    0.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2343   -0.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9446    0.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2343   -1.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  2  0  0  0  0
 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
  7  9  1  0  0  0  0
M  END
>  <Mol_ID> (546)
546

>  <Formula> (546)
C9H13N3O4S

>  <MolWeight> (546)
259.28222

>  <COMPOUND_NAME> (546)
WAY-225456

>  <BAR_CODE_NO> (546)
3899655

$$$$
WAY-225568
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -2.5000   -1.2625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2750   -2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4500    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5750   -2.0625    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.4625   -0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500   -2.9875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4750   -1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8250   -4.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1375    2.2710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5750   -4.9625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5335   -2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3460    0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2790   -1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4165   -2.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2290    0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500   -4.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9125   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1915   -0.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5750   -2.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9125   -5.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1875   -2.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1000   -2.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.0875   -4.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0000   -4.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  2  0  0  0  0
  9  3  2  0  0  0  0
 10 19  1  0  0  0  0
 11  7  1  0  0  0  0
 12  7  2  0  0  0  0
 13 15  2  0  0  0  0
 14 11  2  0  0  0  0
 15 12  1  0  0  0  0
 16  6  1  0  0  0  0
 17  6  1  0  0  0  0
 18 13  1  0  0  0  0
 19 17  1  0  0  0  0
 20 16  1  0  0  0  0
 21 18  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
  5  4  1  0  0  0  0
 13 14  1  0  0  0  0
 10 20  1  0  0  0  0
M  END
>  <Mol_ID> (547)
547

>  <Formula> (547)
C18H24N2O4

>  <MolWeight> (547)
332.39416

>  <COMPOUND_NAME> (547)
WAY-225568

>  <BAR_CODE_NO> (547)
3900351

$$$$
WAY-227281
csChFnd80/06171916322D

 19 20  0  0  0  0  0  0  0  0999 V2000
    5.6914    2.2285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8404    1.4109    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5297    3.5486    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1350    3.5486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9681    2.2019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4088    1.6673    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.2706    2.4851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9880    1.9398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4256    3.8853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8404    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2752    0.2725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0688    4.1845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3086    4.7029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8763    2.7790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2987    1.8117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.0662    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2350    6.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6033    0.4329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9446    0.0214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  2  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  7  2  0  0  0  0
 10  2  1  0  0  0  0
 11  6  1  0  0  0  0
 12 13  2  0  0  0  0
 13  9  1  0  0  0  0
 14  8  2  0  0  0  0
 15  5  1  0  0  0  0
 16 12  1  0  0  0  0
 17 16  1  0  0  0  0
 18 15  1  0  0  0  0
 19 18  1  0  0  0  0
  3  5  2  0  0  0  0
 14 12  1  0  0  0  0
M  END
>  <Mol_ID> (548)
548

>  <Formula> (548)
C15H20N2O2

>  <MolWeight> (548)
260.3315

>  <COMPOUND_NAME> (548)
WAY-227281

>  <BAR_CODE_NO> (548)
3900918

$$$$
WAY-228667
csChFnd80/06171916322D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -1.0071    0.8142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1933    1.2901    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0071   -0.1099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8071    1.2763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2791    0.4659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6308    1.7556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6588    2.1073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8071   -0.5720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6071    0.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2205    0.4556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6036   -0.1341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6791   -0.3444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4174   -0.5927    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.6067   -0.3444    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3964   -1.2237    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8929   -1.2237    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1584   -1.7548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2446   -2.6720    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  8 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
  9 11  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (549)
549

>  <Formula> (549)
C10H10ClN3O2S2

>  <MolWeight> (549)
303.7883

>  <COMPOUND_NAME> (549)
WAY-228667

>  <BAR_CODE_NO> (549)
3899837

$$$$
WAY-229628
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
    4.9110   -5.9055    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5235   -7.3300    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.0840   -0.0735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9895    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0940   -6.0315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7540   -4.7435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2825   -1.2565    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1885   -3.9370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0680   -7.9580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0420   -3.2355    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2620   -7.4555    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -1.0995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0630    3.0680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6280   -2.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7645   -5.6545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4295   -2.3980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5970   -4.4920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4295   -1.5080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8325    3.2565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2200    1.8850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7645   -3.3090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7015   -6.1255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3770   -1.8850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9475    5.2670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3140   -0.2620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7175    5.4030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8220    6.4085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  7  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7 16  1  0  0  0  0
  8  1  2  0  0  0  0
  9  1  2  0  0  0  0
 10  5  2  0  0  0  0
 11  5  1  0  0  0  0
 12  3  2  0  0  0  0
 13  4  2  0  0  0  0
 14  6  2  0  0  0  0
 15  6  1  0  0  0  0
 16 17  1  0  0  0  0
 17 15  2  0  0  0  0
 18 14  1  0  0  0  0
 19  4  1  0  0  0  0
 20 13  1  0  0  0  0
 21 22  1  0  0  0  0
 22 11  2  0  0  0  0
 23 10  1  0  0  0  0
 24 13  1  0  0  0  0
 25 20  1  0  0  0  0
 26 19  2  0  0  0  0
 27 26  1  0  0  0  0
 16 18  2  0  0  0  0
 23 21  2  0  0  0  0
 27 24  2  0  0  0  0
M  END
>  <Mol_ID> (550)
550

>  <Formula> (550)
C18H16N4O4S

>  <MolWeight> (550)
384.40904

>  <COMPOUND_NAME> (550)
WAY-229628

>  <BAR_CODE_NO> (550)
3900313

$$$$
WAY-231999
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -3.5483    0.2760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1483    0.9932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9897   -0.3344    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3793    0.2622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3345    0.8380    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    1.7035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2483    0.0139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7897    0.9622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4000    1.6932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5241   -0.4068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8103    0.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1000   -0.4137    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6207   -0.0137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3276   -0.4240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6276    0.8173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0517   -0.0137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7655   -0.4344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4759   -0.0240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7586   -1.2482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1897   -0.4378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4897    0.8001    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.4655   -1.6620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1759   -1.2620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8966   -1.6861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
  5  7  2  0  0  0  0
  8  9  2  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (551)
551

>  <Formula> (551)
C18H18BrN3O2

>  <MolWeight> (551)
388.25842

>  <COMPOUND_NAME> (551)
WAY-231999

>  <BAR_CODE_NO> (551)
3900483

$$$$
WAY-233451
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
    3.5461    3.6117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1183    3.6117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2182    2.3985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6553    2.3985    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3997    4.8155    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.2182    4.8155    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.3273    3.6117    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.3997    2.3985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6553    4.8155    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.5461    1.1945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1183    1.1945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7178    3.6117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0904    6.0381    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.8075    6.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0279    4.7781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9834    6.9713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3896    4.8155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3985    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.2834    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0473    6.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3151    2.3985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  9  1  0  0  0  0
  8  2  2  0  0  0  0
  9  6  1  0  0  0  0
 10  3  1  0  0  0  0
 11 10  2  0  0  0  0
 12  7  1  0  0  0  0
 13  5  1  0  0  0  0
 14  6  1  0  0  0  0
 15  5  2  0  0  0  0
 16 14  2  0  0  0  0
 17 12  2  0  0  0  0
 18  8  1  0  0  0  0
 19 10  1  0  0  0  0
 20  9  1  0  0  0  0
 21 12  1  0  0  0  0
 16 20  1  0  0  0  0
  7  4  1  0  0  0  0
  8 11  1  0  0  0  0
M  END
>  <Mol_ID> (552)
552

>  <Formula> (552)
C13H11ClN2O5

>  <MolWeight> (552)
310.68984

>  <COMPOUND_NAME> (552)
WAY-233451

>  <BAR_CODE_NO> (552)
3900711

$$$$
WAY-233463-A
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
    3.7586    3.8215    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5538    2.7230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7586    1.5618    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4086    3.4095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4086    2.0023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2278    5.1602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6008    5.4062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0641    6.7277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9554    2.7230    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4371    6.9794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4062    7.9635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5046    4.3364    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6030    8.3524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3902    8.9531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2278    0.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2072    4.0961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2072    1.2872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6008    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  2  2  0  0  0  0
 10  8  1  0  0  0  0
 11  8  2  0  0  0  0
 12  7  2  0  0  0  0
 13 10  1  0  0  0  0
 14 11  1  0  0  0  0
 15  3  1  0  0  0  0
 16  4  1  0  0  0  0
 17  5  1  0  0  0  0
 18 15  1  0  0  0  0
 19 20  1  0  0  0  0
 20 16  2  0  0  0  0
  3  5  1  0  0  0  0
 19 17  2  0  0  0  0
 13 14  2  0  0  0  0
M  END
>  <Mol_ID> (553)
553

>  <Formula> (553)
C15H15N3O2

>  <MolWeight> (553)
269.2985

>  <COMPOUND_NAME> (553)
WAY-233463-A

>  <BAR_CODE_NO> (553)
3899600

$$$$
WAY-233464-A
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
    4.0930    5.9410    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8933    4.8012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0930    3.6958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7633    5.5266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7633    4.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5594    7.2881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5923    8.3416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2682    8.0654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3037    4.8012    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1283    8.8656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8191    6.7355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0298    9.6715    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.0480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4375    6.7355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5594    2.3487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5429    6.2174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5429    3.4195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5923    1.2952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3338    4.1449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3338    5.4920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0298    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  2  2  0  0  0  0
 10  8  1  0  0  0  0
 11  8  2  0  0  0  0
 12  7  2  0  0  0  0
 13 10  1  0  0  0  0
 14 11  1  0  0  0  0
 15  3  1  0  0  0  0
 16  4  1  0  0  0  0
 17  5  1  0  0  0  0
 18 15  1  0  0  0  0
 19 20  1  0  0  0  0
 20 16  2  0  0  0  0
 21 18  1  0  0  0  0
  5  3  1  0  0  0  0
 17 19  2  0  0  0  0
 14 13  2  0  0  0  0
M  END
>  <Mol_ID> (554)
554

>  <Formula> (554)
C16H17N3O2

>  <MolWeight> (554)
283.32508

>  <COMPOUND_NAME> (554)
WAY-233464-A

>  <BAR_CODE_NO> (554)
3899601

$$$$
WAY-233509
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
    6.1105   -5.8225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1105   -7.7220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4605   -4.8440    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.4605   -8.6715    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7795   -4.8440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8010   -7.7220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4605   -2.9450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8010   -5.8225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8010   -1.9955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8010   -0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4100   -5.8225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4605    0.8535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1605   -8.6715    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7795   -2.9450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1105   -1.9955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1105   -0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1605    0.8345    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   11.0600   -4.8730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7505   -8.6715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4605    2.7530    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.7005   -5.8225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7005   -7.7120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3405   -4.8730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -5.7940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3595   -8.6715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.7120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  8  1  0  0  0  0
  7  3  1  0  0  0  0
  8  3  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  2  0  0  0  0
 11  5  1  0  0  0  0
 12 16  2  0  0  0  0
 13  6  2  0  0  0  0
 14  5  2  0  0  0  0
 15  7  2  0  0  0  0
 16 15  1  0  0  0  0
 17 10  1  0  0  0  0
 18 11  1  0  0  0  0
 19  2  1  0  0  0  0
 20 12  1  0  0  0  0
 21 18  1  0  0  0  0
 22 21  2  0  0  0  0
 23 21  1  0  0  0  0
 24 23  2  0  0  0  0
 25 22  1  0  0  0  0
 26 24  1  0  0  0  0
  4  6  1  0  0  0  0
 12 10  1  0  0  0  0
 26 25  2  0  0  0  0
M  END
>  <Mol_ID> (555)
555

>  <Formula> (555)
C20H17BrFNO3

>  <MolWeight> (555)
418.2562832

>  <COMPOUND_NAME> (555)
WAY-233509

>  <BAR_CODE_NO> (555)
3899822

$$$$
WAY-233515
csChFnd80/06171916322D

 13 13  0  0  0  0  0  0  0  0999 V2000
    3.1157    3.5578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4654    1.4155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6003    2.2443    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3560    2.2443    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7895    3.5578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8808    4.7437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4654    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.2921    4.6800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2645    6.0062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9989    4.7098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8873    6.0572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2242    7.2814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  1  0  0  0  0
  7  2  2  0  0  0  0
  8  6  2  0  0  0  0
  9  4  1  0  0  0  0
 10  6  1  0  0  0  0
 11  5  1  0  0  0  0
 12 10  1  0  0  0  0
 13 12  1  0  0  0  0
  4  2  1  0  0  0  0
M  END
>  <Mol_ID> (556)
556

>  <Formula> (556)
C8H11NO2S2

>  <MolWeight> (556)
217.30844

>  <COMPOUND_NAME> (556)
WAY-233515

>  <BAR_CODE_NO> (556)
3900242

$$$$
WAY-234032
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
    3.8360    1.8030    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.0365    3.0860    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7460    4.4325    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.3725    1.8570    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0730    3.2125    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.2640    4.4870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9325    5.7115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5910    3.2760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1675    0.5785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1450    0.4565    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5180    3.0185    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5775    1.7485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5045    1.5135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6375    7.0535    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4145    5.6435    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6945    8.1515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8320   10.3065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1815    7.7585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2880    9.5975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3320   10.6865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2430    8.8425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0325    2.1510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9480    0.2935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4955    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9030   11.4045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9030   12.9455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2225   13.7045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2225   15.2365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5595   15.9955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9030   16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  3  1  0  0  0  0
  8  5  1  0  0  0  0
  9  4  1  0  0  0  0
 10  1  1  0  0  0  0
 11  2  1  0  0  0  0
 12  9  1  0  0  0  0
 13 10  1  0  0  0  0
 14  7  1  0  0  0  0
 15  7  2  0  0  0  0
 16 14  1  0  0  0  0
 17 20  1  0  0  0  0
 18 16  2  0  0  0  0
 19 16  1  0  0  0  0
 20 19  2  0  0  0  0
 21 18  1  0  0  0  0
 22 12  1  0  0  0  0
 23 12  1  0  0  0  0
 24 13  1  0  0  0  0
 25 13  1  0  0  0  0
 26 17  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 31 29  1  0  0  0  0
 13 11  1  0  0  0  0
 12  8  1  0  0  0  0
  6  3  1  0  0  0  0
 17 21  2  0  0  0  0
M  END
>  <Mol_ID> (557)
557

>  <Formula> (557)
C23H33NO7

>  <MolWeight> (557)
435.51062

>  <COMPOUND_NAME> (557)
WAY-234032

>  <BAR_CODE_NO> (557)
3900524

$$$$
WAY-234336
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
   11.7495   -2.4240    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.9560   -2.4240    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.1565   -2.4240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8565   -1.4510    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4635   -2.4240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8565   -3.3855    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.1280   -1.3540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7495   -1.3030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7495   -3.5560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8650   -1.3540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2675   -2.4240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7480   -2.4240    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -1.8150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -3.0215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7425   -0.2620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8380   -3.4880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8490   -1.3540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9945   -2.4240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0215   -2.4240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5860   -1.3540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5860   -3.4880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4070   -1.3540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4240   -3.5335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1495   -1.3540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1495   -3.5165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5290   -2.4410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7 12  1  0  0  0  0
  8  1  2  0  0  0  0
  9  1  2  0  0  0  0
 10  7  1  0  0  0  0
 11 10  2  0  0  0  0
 12 18  1  0  0  0  0
 13  4  1  0  0  0  0
 14  6  1  0  0  0  0
 15  7  2  0  0  0  0
 16  5  1  0  0  0  0
 17  5  2  0  0  0  0
 18 20  2  0  0  0  0
 19 11  1  0  0  0  0
 20 17  1  0  0  0  0
 21 16  2  0  0  0  0
 22 19  2  0  0  0  0
 23 19  1  0  0  0  0
 24 22  1  0  0  0  0
 25 23  2  0  0  0  0
 26 25  1  0  0  0  0
 21 18  1  0  0  0  0
 14 13  2  0  0  0  0
 24 26  2  0  0  0  0
M  END
>  <Mol_ID> (558)
558

>  <Formula> (558)
C18H15N3O3S2

>  <MolWeight> (558)
385.46

>  <COMPOUND_NAME> (558)
WAY-234336

>  <BAR_CODE_NO> (558)
3899650

$$$$
WAY-234384
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -2.9075   -0.0549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1765   -0.0549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1316   -0.7721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4110    0.5072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9420   -0.7825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7041    0.5761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5592   -1.1997    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8489   -0.9308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1420    0.3520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2006   -0.9963    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2213    1.2141    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3661   -0.3790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6489   -0.4687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0684   -0.6721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8075    0.2623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5959   -0.1549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3028   -0.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8649    0.0485    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1235    0.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4718   -0.4135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8511    0.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6959    1.3382    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0442    0.0244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4718   -1.1549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3580    1.2934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7959   -0.1446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0994    1.1037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3235    0.3968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  3  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  2  0  0  0  0
 20 23  1  0  0  0  0
 20 24  2  0  0  0  0
 21 25  1  0  0  0  0
 23 26  1  0  0  0  0
 25 27  2  0  0  0  0
 26 28  2  0  0  0  0
  5  7  1  0  0  0  0
  9 12  1  0  0  0  0
 21 23  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (559)
559

>  <Formula> (559)
C21H19N3O3S

>  <MolWeight> (559)
393.45886

>  <COMPOUND_NAME> (559)
WAY-234384

>  <BAR_CODE_NO> (559)
3900072

$$$$
WAY-234833
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.5724   -1.5742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5207   -1.2259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5724   -2.7052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5414   -1.0018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1724   -2.1432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8655   -0.1432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5207   -3.0432    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5414   -3.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5207   -1.5742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2966   -2.1535    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000    0.6948    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9793    0.0913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5207   -2.7052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4690    1.7741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2862    2.6017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5828    2.0086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0621    3.6741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3896    2.3775    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9276    3.0810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1828    3.9189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7345    1.3155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
  8 13  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
  5  7  1  0  0  0  0
  9 13  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (560)
560

>  <Formula> (560)
C16H18N2O2S

>  <MolWeight> (560)
302.39132

>  <COMPOUND_NAME> (560)
WAY-234833

>  <BAR_CODE_NO> (560)
3900979

$$$$
WAY-234988
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
    2.8206   -0.0611    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1206   -0.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8206   -1.2861    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2373   -0.6861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1206   -1.0611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4748    0.0764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4748   -1.4236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1748    0.0931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8373   -0.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8373   -1.0611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5002   -0.2861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1419    0.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4252    0.8389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7794   -0.2861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1419    0.8389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4252    0.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7794    1.2139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0998   -1.9861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0627    1.2014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0627    1.9639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7002    2.3389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  2  0  0  0  0
  5  2  2  0  0  0  0
  6  2  1  0  0  0  0
  7  5  1  0  0  0  0
  8  9  1  0  0  0  0
  9  6  2  0  0  0  0
 10  9  1  0  0  0  0
 11  8  1  0  0  0  0
 12 11  1  0  0  0  0
 13 17  2  0  0  0  0
 14 12  1  0  0  0  0
 15 12  2  0  0  0  0
 16 14  2  0  0  0  0
 17 15  1  0  0  0  0
 18  3  1  0  0  0  0
 19 13  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
  3  5  1  0  0  0  0
  7 10  2  0  0  0  0
 16 13  1  0  0  0  0
M  END
>  <Mol_ID> (561)
561

>  <Formula> (561)
C17H19N3O

>  <MolWeight> (561)
281.35226

>  <COMPOUND_NAME> (561)
WAY-234988

>  <BAR_CODE_NO> (561)
3899934

$$$$
WAY-236290-A
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -2.1897    0.4964    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6724   -0.2864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7586   -0.4036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1172    2.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7414   -1.9623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0793    0.6032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6966    0.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7103    2.9515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3345   -2.8243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2241   -2.7209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7172    2.0481    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3828   -4.4864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2724   -4.3933    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0172    2.7826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8655   -5.2795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3172    2.0481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4862    2.7584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3172    0.6791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7000    2.0481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4862   -0.0243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7000    0.6791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9103    2.7826    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  7 11  1  0  0  0  0
  9 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
  8 11  1  0  0  0  0
 13 15  2  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (562)
562

>  <Formula> (562)
C17H18BrN3O

>  <MolWeight> (562)
360.24832

>  <COMPOUND_NAME> (562)
WAY-236290-A

>  <BAR_CODE_NO> (562)
3899627

$$$$
WAY-236381-A
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -1.0481   -1.2519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0481   -0.4174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7136   -1.6312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3722   -1.6312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3239   -0.0140    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7136   -2.4140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3722   -2.4140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4036   -0.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3584    0.8205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0136   -2.8140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3619   -2.8002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1036    0.0343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3519    1.2481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0343   -2.4140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0864    0.8584    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8036    1.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7519    2.0860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4036    2.6205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0761    2.5481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1036    3.3860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2761    3.3308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
  7 10  2  0  0  0  0
 13 15  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (563)
563

>  <Formula> (563)
C17H22N2O2

>  <MolWeight> (563)
286.36878

>  <COMPOUND_NAME> (563)
WAY-236381-A

>  <BAR_CODE_NO> (563)
3899614

$$$$
WAY-238081
csChFnd80/06171916322D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -1.1828    0.1362    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2655    0.8086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0862    0.8086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1828   -1.1362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2655    2.0810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3483    0.1362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0862    2.0810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9966    0.1362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0862   -1.7397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2655   -1.7397    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1828    2.6845    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3483    2.6845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4379    0.8086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9966    2.6845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0862    0.8086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9966   -1.1362    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4379    2.0810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0862    2.0810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0862   -1.7397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0862   -3.0121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1690   -1.1362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1690   -3.6293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2517   -1.7397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2517   -3.0121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  2  0  0  0  0
  7 14  1  0  0  0  0
  8 15  2  0  0  0  0
  9 16  1  0  0  0  0
 12 17  2  0  0  0  0
 14 18  2  0  0  0  0
 16 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
  7 11  1  0  0  0  0
 13 17  1  0  0  0  0
 15 18  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (564)
564

>  <Formula> (564)
C20H15NO2S

>  <MolWeight> (564)
333.4036

>  <COMPOUND_NAME> (564)
WAY-238081

>  <BAR_CODE_NO> (564)
3901057

$$$$
WAY-238413
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
    6.0496    4.2535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.8358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5073    2.8358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7280    2.0875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.1504    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8444    4.9232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9332    2.7728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6393    2.8358    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.5073    4.2535    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8444    2.1504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    4.9232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6393    4.2535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4260    2.1504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8444    6.3410    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9332    4.1906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1463    2.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2208    2.8358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2208    4.2535    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4260    0.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1463    0.6697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3515    2.7728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2208    0.0473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3515    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5566    2.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5566    0.6697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  9  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8 12  1  0  0  0  0
  9 11  2  0  0  0  0
 10  2  1  0  0  0  0
 11  1  1  0  0  0  0
 12  6  1  0  0  0  0
 13  8  1  0  0  0  0
 14  6  2  0  0  0  0
 15  7  2  0  0  0  0
 16  7  1  0  0  0  0
 17 13  2  0  0  0  0
 18 17  1  0  0  0  0
 19 13  1  0  0  0  0
 20 17  1  0  0  0  0
 21 16  2  0  0  0  0
 22 16  1  0  0  0  0
 23 19  2  0  0  0  0
 24 21  1  0  0  0  0
 25 22  2  0  0  0  0
 26 23  1  0  0  0  0
 27 25  1  0  0  0  0
  8 10  1  0  0  0  0
  3  5  2  0  0  0  0
 26 20  2  0  0  0  0
 24 27  2  0  0  0  0
M  END
>  <Mol_ID> (565)
565

>  <Formula> (565)
C21H16ClN3O2

>  <MolWeight> (565)
377.82364

>  <COMPOUND_NAME> (565)
WAY-238413

>  <BAR_CODE_NO> (565)
3900898

$$$$
WAY-238601
csChFnd80/06171916322D

 21 22  0  0  0  0  0  0  0  0999 V2000
    8.9981    2.4415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8863    3.6564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2900    3.6564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2900    1.2228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9024    1.2228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1905    2.4415    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.6395    2.4415    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.9790    2.4415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6001    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.7666    2.4415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0120    1.2832    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9981    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0101    4.8631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6869    1.2228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6869    3.6564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0747    1.2228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0747    3.6564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6658    3.3466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6376    1.3876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2524    4.5492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7439    3.6564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  8  1  0  0  0  0
  8 15  2  0  0  0  0
  9  7  1  0  0  0  0
 10  6  1  0  0  0  0
 11  7  2  0  0  0  0
 12  4  2  0  0  0  0
 13  3  2  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 10  1  0  0  0  0
 17 10  2  0  0  0  0
 18  1  1  0  0  0  0
 19  1  1  0  0  0  0
 20  2  1  0  0  0  0
 21  2  1  0  0  0  0
  2  6  1  0  0  0  0
 14  8  1  0  0  0  0
M  END
>  <Mol_ID> (566)
566

>  <Formula> (566)
C15H17NO5

>  <MolWeight> (566)
291.29918

>  <COMPOUND_NAME> (566)
WAY-238601

>  <BAR_CODE_NO> (566)
3900169

$$$$
WAY-238811
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    0.6247    0.2381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0339    0.6140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6247   -0.5206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2765    0.6140    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6753    0.2381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0339    1.3623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0339   -0.8965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9247    0.2381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6753   -0.5206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6178    1.7416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5765    0.6140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9247   -0.5102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3235   -0.8965    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6558    1.3554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2558    0.3036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9753   -0.5206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3868    1.5140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7627    0.8623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6339   -0.8965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9753    0.2312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3132   -0.5861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7063   -1.6377    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8132   -1.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4373   -1.7965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  2  0  0  0  0
  9 13  1  0  0  0  0
 11 14  2  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 16 20  2  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
  7  9  2  0  0  0  0
 17 18  2  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (567)
567

>  <Formula> (567)
C17H14N2O4S

>  <MolWeight> (567)
342.36906

>  <COMPOUND_NAME> (567)
WAY-238811

>  <BAR_CODE_NO> (567)
3899926

$$$$
WAY-298109
csChFnd80/06171916322D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -0.2409   -0.5653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9478   -0.9688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4729   -0.9653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2409    0.2692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6616   -0.5653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1764   -0.5653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4729    0.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6616    0.2692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4823   -0.5653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1764    0.2692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4823    0.2692    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9039    0.6692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6108    0.2692    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9039    1.4968    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
  7 10  2  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <Mol_ID> (568)
568

>  <Formula> (568)
C10H10O3S

>  <MolWeight> (568)
210.2496

>  <COMPOUND_NAME> (568)
WAY-298109

>  <BAR_CODE_NO> (568)
3899451

$$$$
WAY-298110
csChFnd80/06171916322D

 17 19  0  0  0  0  0  0  0  0999 V2000
    0.1659    0.0278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6245    0.3002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2962    0.3002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1659   -0.5205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1176    0.1002    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6590    0.8347    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7720    0.0278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2962   -0.7791    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6418   -0.7964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4487    0.5174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1763    0.9795    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7720   -0.5205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2341    0.3002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9970    0.5002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2341   -0.7791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6962    0.0278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6962   -0.5205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  2  0  0  0  0
 10 14  1  0  0  0  0
 12 15  2  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
  8 12  1  0  0  0  0
 10 11  2  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (569)
569

>  <Formula> (569)
C11H7N3O2S

>  <MolWeight> (569)
245.25718

>  <COMPOUND_NAME> (569)
WAY-298110

>  <BAR_CODE_NO> (569)
3899452

$$$$
WAY-298129
csChFnd80/06171916322D

 17 18  0  0  0  0  0  0  0  0999 V2000
    3.9125   -3.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4292   -3.8542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4208   -2.5167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.7375   -3.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6417   -3.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6375   -2.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9208   -4.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1417   -2.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9208   -2.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7250   -1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2083   -3.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6875   -4.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2083   -2.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917   -4.0208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9667   -2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208   -3.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1417   -5.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  5  2  0  0  0  0
  8  4  1  0  0  0  0
  9  6  2  0  0  0  0
 10  8  2  0  0  0  0
 11  7  1  0  0  0  0
 12  2  1  0  0  0  0
 13  9  1  0  0  0  0
 14 11  1  0  0  0  0
 15  8  1  0  0  0  0
 16 14  1  0  0  0  0
 17 12  1  0  0  0  0
  5  6  1  0  0  0  0
 11 13  2  0  0  0  0
M  END
>  <Mol_ID> (570)
570

>  <Formula> (570)
C13H15NO2S

>  <MolWeight> (570)
249.3287

>  <COMPOUND_NAME> (570)
WAY-298129

>  <BAR_CODE_NO> (570)
3899472

$$$$
WAY-298132
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.6862   -0.0793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5517   -0.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2310    0.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1655   -0.7517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9655   -0.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9655    0.6483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5966    0.3931    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.5517    1.4103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6345   -0.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3655   -1.5897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8310   -0.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8034    0.6483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2690    0.9103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2310   -0.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2655   -1.5690    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.0690    0.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1966   -0.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7345    1.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9690   -0.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5138    0.7931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6345   -0.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
 11 14  2  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
  7  9  1  0  0  0  0
 12 14  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (571)
571

>  <Formula> (571)
C16H13ClN2O2

>  <MolWeight> (571)
300.73962

>  <COMPOUND_NAME> (571)
WAY-298132

>  <BAR_CODE_NO> (571)
3899475

$$$$
WAY-298144-A
csChFnd80/06171916322D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -1.2586   -1.2276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8103   -0.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8103   -2.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0828   -1.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9828   -0.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9828   -2.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4690   -0.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5379   -1.2276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6690   -0.2586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7103   -1.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2552    0.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4276    0.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6966    1.7276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9759    1.7276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2552    2.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4276    2.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
  6  8  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <Mol_ID> (572)
572

>  <Formula> (572)
C13H20N2O

>  <MolWeight> (572)
220.3107

>  <COMPOUND_NAME> (572)
WAY-298144-A

>  <BAR_CODE_NO> (572)
3899491

$$$$
WAY-298145
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -0.3135   -0.9931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3135    0.1103    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3583   -1.3483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5900   -1.6241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3618    0.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0238   -0.4448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5969   -1.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6204    1.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6831   -1.6897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9417    0.0552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7169    1.5759    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6520   -2.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7376    2.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6520   -3.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5934   -1.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7480    3.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5934   -3.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5624   -2.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8238    4.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6756    2.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5624   -3.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8204    4.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6790    2.9931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5210   -3.9034    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -5.7549    4.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 16 20  2  0  0  0  0
 17 21  1  0  0  0  0
 19 22  2  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
  5  6  2  0  0  0  0
 18 21  2  0  0  0  0
 23 25  2  0  0  0  0
M  END
>  <Mol_ID> (573)
573

>  <Formula> (573)
C17H15ClN4OS2

>  <MolWeight> (573)
390.9102

>  <COMPOUND_NAME> (573)
WAY-298145

>  <BAR_CODE_NO> (573)
3899492

$$$$
WAY-298207
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -0.1686    0.8967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2081    2.3487    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6659    0.8063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9004   -0.1555    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6538    2.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0564    3.1556    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2146    2.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4728   -0.4581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3462    0.2442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7229    1.6962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0306    4.2003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9714   -0.3915    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7813   -1.7892    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4152   -0.8080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5305    4.2122    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.1494    5.6956    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.5513    4.4490    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7783   -1.6560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8610   -0.4082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0385   -2.2599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2768   -1.5893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9300   -1.4604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1076   -3.3121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2115   -2.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1038   -0.3379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5533   -2.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6161   -2.2361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5495   -0.7376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6224   -3.9646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2457   -5.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
 14 19  1  0  0  0  0
 14 20  2  0  0  0  0
 18 21  1  0  0  0  0
 19 22  2  0  0  0  0
 20 23  1  0  0  0  0
 21 24  2  0  0  0  0
 21 25  1  0  0  0  0
 22 26  1  0  0  0  0
 24 27  1  0  0  0  0
 25 28  1  0  0  0  0
 26 29  1  0  0  0  0
 29 30  1  0  0  0  0
  6  7  2  0  0  0  0
  9 10  1  0  0  0  0
 23 26  2  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <Mol_ID> (574)
574

>  <Formula> (574)
C20H15F3N4O3

>  <MolWeight> (574)
416.3533096

>  <COMPOUND_NAME> (574)
WAY-298207

>  <BAR_CODE_NO> (574)
3899581

$$$$
WAY-298211
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
    1.3715   -0.3689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8266    0.4001    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4577   -0.3689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8094   -1.1378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2853    1.1725    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6059   -0.0551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0473    0.8587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0197   -1.1378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3715   -1.9378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1853    1.1725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8473    1.9518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8906   -1.1378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4577   -1.9378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6335    1.9518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2921    2.7311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3492   -0.3689    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3492   -1.9378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1853    2.7311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2423   -0.3689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6975    0.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6975   -1.1378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5906    0.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5906   -1.1378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0458   -0.3689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9423   -0.3689    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 17  2  0  0  0  0
 14 18  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
 24 25  1  0  0  0  0
  9 13  2  0  0  0  0
 15 18  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (575)
575

>  <Formula> (575)
C18H19ClN2O3S

>  <MolWeight> (575)
378.87306

>  <COMPOUND_NAME> (575)
WAY-298211

>  <BAR_CODE_NO> (575)
3899585

$$$$
WAY-298228
csChFnd80/06171916322D

 30 34  0  0  0  0  0  0  0  0999 V2000
   -0.8793    0.0172    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.1655   -0.1345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4345   -0.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1345    0.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0517   -0.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3138    0.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0345   -0.0724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3862   -1.1828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8655    0.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7655   -0.9828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0345    0.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6793   -0.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3483    1.1793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2379   -0.4552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3000    0.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7483   -1.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9517   -0.6034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9345   -0.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4000   -1.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4345   -0.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9862   -1.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5276    0.1414    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.1517   -0.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2207    0.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6345    0.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7000    1.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4138    1.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3517    0.3172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9897    1.4276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5724    1.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  9 13  2  0  0  0  0
 10 14  1  0  0  0  0
 12 15  2  0  0  0  0
 12 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  2  0  0  0  0
 17 20  1  0  0  0  0
 18 21  2  0  0  0  0
 18 22  1  0  0  0  0
 20 23  2  0  0  0  0
 20 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  2  0  0  0  0
 25 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
  7  9  1  0  0  0  0
 11 14  1  0  0  0  0
 19 21  1  0  0  0  0
 26 27  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (576)
576

>  <Formula> (576)
C22H22ClN3O4

>  <MolWeight> (576)
427.88078

>  <COMPOUND_NAME> (576)
WAY-298228

>  <BAR_CODE_NO> (576)
3899613

$$$$
WAY-298250
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
    1.4310   -0.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7172   -0.9690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4276    0.2655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1448   -0.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0069   -0.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7172   -1.7966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1379    0.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1483   -1.7931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7069   -0.9724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0069    0.2586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4310   -2.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1310    1.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8552    0.2724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4241   -0.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7966    1.9966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4655    1.9897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1414   -0.9724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4241    0.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5345    2.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7103    2.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8517   -0.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1414   -1.7966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1414    0.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8517    0.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8517   -2.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5655    0.6759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5655    1.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  2  0  0  0  0
  9 14  1  0  0  0  0
 12 15  2  0  0  0  0
 12 16  1  0  0  0  0
 14 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 17 22  1  0  0  0  0
 18 23  2  0  0  0  0
 21 24  2  0  0  0  0
 22 25  1  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
  8 11  2  0  0  0  0
 19 20  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (577)
577

>  <Formula> (577)
C20H18N2O5

>  <MolWeight> (577)
366.36732

>  <COMPOUND_NAME> (577)
WAY-298250

>  <BAR_CODE_NO> (577)
3899646

$$$$
WAY-298257
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
    0.1897    0.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0724    1.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000   -0.2103    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9655    0.0103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9000    1.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4138    1.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1483    0.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1379   -0.7931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3897    1.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000    2.3862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9483    0.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9276   -1.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5276   -1.3483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5517    0.5862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1345   -0.7897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0931   -1.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5310   -0.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4448    1.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3690    0.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8793   -2.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3138   -0.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2000    1.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7655    1.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4931   -1.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0517   -2.9138    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  3  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  2  0  0  0  0
 11 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12 16  2  0  0  0  0
 12 17  1  0  0  0  0
 14 18  1  0  0  0  0
 14 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  2  0  0  0  0
 18 22  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  2  0  0  0  0
 20 25  1  0  0  0  0
  5  7  2  0  0  0  0
 21 24  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (578)
578

>  <Formula> (578)
C18H16ClN3O2S

>  <MolWeight> (578)
373.85654

>  <COMPOUND_NAME> (578)
WAY-298257

>  <BAR_CODE_NO> (578)
3899660

$$$$
WAY-298265
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -2.0027   -0.3990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8752    0.8769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0579   -1.2576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2545   -0.6611    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0510    1.4010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7579    1.5217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1662   -0.8645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3131   -2.5197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8993    0.4458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3062    2.6596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3524    0.8769    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7579    2.8044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1283   -1.7162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3614   -3.3783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4731    1.5217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8628   -2.9749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5835    0.8769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7490    1.4010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7179   -0.3990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6248    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9800   -0.6611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 14  2  0  0  0  0
 11 15  1  0  0  0  0
 13 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
  5  9  1  0  0  0  0
 14 16  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (579)
579

>  <Formula> (579)
C16H14N2O3

>  <MolWeight> (579)
282.29396

>  <COMPOUND_NAME> (579)
WAY-298265

>  <BAR_CODE_NO> (579)
3899669

$$$$
WAY-298289
csChFnd80/06171916322D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -1.0757   -0.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6170    0.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1347   -1.6345    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4860   -1.0966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8450    0.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6274    1.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2726   -0.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4757   -0.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7036    1.8138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0446    1.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2274    3.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6623   -1.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8964   -0.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7554   -0.2241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9623   -2.6138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1140   -0.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
 14 16  1  0  0  0  0
  5  7  2  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Mol_ID> (580)
580

>  <Formula> (580)
C11H12N2O2S

>  <MolWeight> (580)
236.29018

>  <COMPOUND_NAME> (580)
WAY-298289

>  <BAR_CODE_NO> (580)
3899696

$$$$
WAY-298313
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -1.1414   -0.0138    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.4241   -0.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1414    0.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8621   -0.4414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2931   -0.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4241   -1.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8586    1.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4207    1.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8621   -1.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0069   -0.4448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2966    0.8069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1414   -1.6724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2931   -1.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8586    2.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4241    2.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5724   -1.6793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7276   -0.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1345    2.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5759    2.4517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4414   -0.4655    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5172   -1.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000   -0.1345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3241   -1.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7483   -0.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  2  0  0  0  0
  8 15  1  0  0  0  0
  9 16  2  0  0  0  0
 10 17  1  0  0  0  0
 14 18  1  0  0  0  0
 14 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
  9 12  1  0  0  0  0
 15 18  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (581)
581

>  <Formula> (581)
C17H20N2O5

>  <MolWeight> (581)
332.3511

>  <COMPOUND_NAME> (581)
WAY-298313

>  <BAR_CODE_NO> (581)
3899725

$$$$
WAY-298318
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -0.7842    0.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4800    1.3866    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0408   -0.2092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8867    0.3950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5700    1.3866    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7758    0.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8658    0.0825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5467    0.8533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0258   -0.8509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5300    0.5533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0992   -0.9175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6283    0.7575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0092   -1.1509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8575   -0.5300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0867   -1.2217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6075    0.4575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7758   -0.4592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3300    1.8616    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8367   -0.8175    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2217   -2.1467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8  6  2  0  0  0  0
  9  6  1  0  0  0  0
 10  8  1  0  0  0  0
 11  7  2  0  0  0  0
 12  7  1  0  0  0  0
 13  9  2  0  0  0  0
 14 16  1  0  0  0  0
 15 11  1  0  0  0  0
 16 12  2  0  0  0  0
 17 13  1  0  0  0  0
 18  8  1  0  0  0  0
 19 14  1  0  0  0  0
 20 13  1  0  0  0  0
  5  4  1  0  0  0  0
 17 10  2  0  0  0  0
 14 15  2  0  0  0  0
M  END
>  <Mol_ID> (582)
582

>  <Formula> (582)
C16H13FN2O

>  <MolWeight> (582)
268.2856232

>  <COMPOUND_NAME> (582)
WAY-298318

>  <BAR_CODE_NO> (582)
3899732

$$$$
WAY-298363
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -0.8000    0.3276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5172    0.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -0.4966    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0897    0.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5138    1.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2310    0.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5172   -0.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2172   -1.0793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0241   -0.4966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6241    0.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2276    1.9828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9517    0.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5276   -1.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2276   -0.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3345    0.7414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6241   -0.4966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9517    1.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2379   -2.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9448   -0.8828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0483    0.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6655    1.9828    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.9517   -1.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7552    0.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0448   -0.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4690    0.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7483   -0.8966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4690   -0.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2483    0.5931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2483   -0.7414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7345   -0.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  3  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  7 14  2  0  0  0  0
 10 15  1  0  0  0  0
 10 16  2  0  0  0  0
 11 17  2  0  0  0  0
 13 18  2  0  0  0  0
 14 19  1  0  0  0  0
 15 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
 20 23  1  0  0  0  0
 20 24  2  0  0  0  0
 23 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
 12 17  1  0  0  0  0
 19 22  2  0  0  0  0
 26 27  2  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (583)
583

>  <Formula> (583)
C21H17ClN2O5S

>  <MolWeight> (583)
444.88808

>  <COMPOUND_NAME> (583)
WAY-298363

>  <BAR_CODE_NO> (583)
3899807

$$$$
WAY-298399
csChFnd80/06171916322D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -1.3848    0.8351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8598    0.5291    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3848    1.4291    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3348    1.4291    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3348    0.8351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8598    1.7291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9098    0.5291    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1842    0.5171    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8598    2.3231    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2222   -1.2710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7092   -0.9800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9098   -0.0770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4198    0.8201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1842   -0.0830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7092   -0.3740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7442   -0.9800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2222   -1.8830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2692   -1.2710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7442   -2.1740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2692   -1.8830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  3  1  1  0  0  0  0
  4  6  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  2  0  0  0  0
  7  1  1  0  0  0  0
  8  5  1  0  0  0  0
  9  6  1  0  0  0  0
 10 11  1  0  0  0  0
 11 15  1  0  0  0  0
 12  7  1  0  0  0  0
 13  7  1  0  0  0  0
 14  8  1  0  0  0  0
 15 14  1  0  0  0  0
 16 10  1  0  0  0  0
 10 17  2  0  0  0  0
 18 16  2  0  0  0  0
 19 17  1  0  0  0  0
 19 20  2  0  0  0  0
  5  4  2  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (584)
584

>  <Formula> (584)
C13H16ClN5O

>  <MolWeight> (584)
293.75204

>  <COMPOUND_NAME> (584)
WAY-298399

>  <BAR_CODE_NO> (584)
3899861

$$$$
WAY-298410
csChFnd80/06171916322D

 33 36  0  0  0  0  0  0  0  0999 V2000
    0.3621    0.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0448    0.5517    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.3621   -0.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3172    0.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7310    0.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0448    1.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3172   -1.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0448   -1.0345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000    0.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3172    1.3586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7310   -0.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4448    0.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7069    1.8621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3724    1.8621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000   -0.6414    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4448   -1.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1138    0.1655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4448    1.3586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4517    2.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6276    2.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6897   -1.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8241    0.5828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9345    3.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3724   -0.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6793   -1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5379    0.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0690   -1.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3586   -2.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0690   -1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7586   -0.6552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7552   -2.2483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7655    0.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7483   -3.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  2  0  0  0  0
  7 15  1  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 12 18  2  0  0  0  0
 13 19  1  0  0  0  0
 14 20  1  0  0  0  0
 15 21  1  0  0  0  0
 17 22  1  0  0  0  0
 19 23  1  0  0  0  0
 21 24  2  0  0  0  0
 21 25  1  0  0  0  0
 22 26  1  0  0  0  0
 24 27  1  0  0  0  0
 25 28  2  0  0  0  0
 27 29  2  0  0  0  0
 27 30  1  0  0  0  0
 29 31  1  0  0  0  0
 30 32  1  0  0  0  0
 31 33  1  0  0  0  0
  8 11  1  0  0  0  0
  9 15  1  0  0  0  0
 19 20  2  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (585)
585

>  <Formula> (585)
C26H29NO6

>  <MolWeight> (585)
451.51156

>  <COMPOUND_NAME> (585)
WAY-298410

>  <BAR_CODE_NO> (585)
3899876

$$$$
WAY-298411
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -2.4203    1.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4203    1.0033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4410    0.9551    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2410    2.5723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5168   -0.1070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6410    1.7344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1375    2.7344    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6030   -0.7277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5168   -0.5863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4383    1.4344    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6720   -1.8380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5720   -0.2449    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.5824   -1.6656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7038    0.3413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6720   -2.3173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7832    0.0413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1030   -0.4277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0832   -1.0449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5797    0.8137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1590   -1.3380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6590    0.5171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9383   -0.5380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0280   -0.8380    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.8280   -0.0587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3383   -1.8967    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  8 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 16 18  1  0  0  0  0
 16 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
  6  7  2  0  0  0  0
 13 15  2  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (586)
586

>  <Formula> (586)
C17H12ClN3O3S

>  <MolWeight> (586)
373.81348

>  <COMPOUND_NAME> (586)
WAY-298411

>  <BAR_CODE_NO> (586)
3899883

$$$$
WAY-298414
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -2.7392    1.6406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7392    0.7854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9358    1.9026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4702    2.0544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9358    0.5371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4702    0.3716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4565    1.2233    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6565    2.7026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2047    1.6406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6565   -0.2767    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2047    0.8026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6116    1.2233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1875    0.5026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6367    0.5026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0539   -0.2215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8987   -0.2215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3229   -0.9353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1504   -0.9353    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8987   -1.6732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5642   -1.6732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3918   -1.8387    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1504   -2.3974    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.4849   -2.6836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7160   -3.0318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
  5  7  1  0  0  0  0
  9 11  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (587)
587

>  <Formula> (587)
C17H17N3O3S

>  <MolWeight> (587)
343.40018

>  <COMPOUND_NAME> (587)
WAY-298414

>  <BAR_CODE_NO> (587)
3899887

$$$$
WAY-298417
csChFnd80/06171916322D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -1.3706    0.4343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4361    0.8412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2430    1.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5464   -0.7071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4087    0.2343    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3119    1.9481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2913    0.7377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5947   -1.1071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2949    0.7895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4740   -0.3830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1018    0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5119   -0.7899    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.1018    0.6136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9881   -1.0071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0363   -0.0450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9122   -1.6623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9363   -1.1899    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
  8 10  2  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (588)
588

>  <Formula> (588)
C13H11BrN2O

>  <MolWeight> (588)
291.14324

>  <COMPOUND_NAME> (588)
WAY-298417

>  <BAR_CODE_NO> (588)
3899890

$$$$
WAY-298443
csChFnd80/06171916322D

 32 35  0  0  0  0  0  0  0  0999 V2000
    0.2276    0.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2276    0.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5897    0.7655    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.1310    0.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5897   -0.0759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1310   -0.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9483    0.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5897    1.1862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4931    0.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5897   -0.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9483    0.1241    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.4931    0.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2276    1.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2276   -0.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9483   -0.7138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3276   -0.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2276    1.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1310    1.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1310   -0.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2276   -1.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1310    2.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4931    1.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4931   -0.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1310   -1.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4931    1.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4931   -1.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8724   -0.4966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1310   -1.7552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8724   -1.3345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8724   -0.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4931   -1.9552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8724   -1.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  8 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  2  0  0  0  0
 11 16  1  0  0  0  0
 13 17  2  0  0  0  0
 13 18  1  0  0  0  0
 14 19  1  0  0  0  0
 14 20  2  0  0  0  0
 17 21  1  0  0  0  0
 18 22  2  0  0  0  0
 19 23  2  0  0  0  0
 20 24  1  0  0  0  0
 21 25  2  0  0  0  0
 23 26  1  0  0  0  0
 23 27  1  0  0  0  0
 24 28  1  0  0  0  0
 26 29  1  0  0  0  0
 27 30  1  0  0  0  0
 28 31  1  0  0  0  0
 29 32  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 22 25  1  0  0  0  0
 24 26  2  0  0  0  0
M  END
>  <Mol_ID> (589)
589

>  <Formula> (589)
C26H28N2O4

>  <MolWeight> (589)
432.51152

>  <COMPOUND_NAME> (589)
WAY-298443

>  <BAR_CODE_NO> (589)
3899920

$$$$
WAY-298450
csChFnd80/06171916322D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -0.8345    0.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8414   -0.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1172    0.5828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5552    0.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1207   -1.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5552   -1.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6034    0.1621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1172    1.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2655    0.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6034   -0.6690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1276   -1.9172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2655   -0.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5966    1.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3172   -1.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3069    1.4069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5966    2.6448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0310   -0.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7414   -1.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
  8 13  1  0  0  0  0
 10 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
  7 10  1  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <Mol_ID> (590)
590

>  <Formula> (590)
C13H14N2O3

>  <MolWeight> (590)
246.26186

>  <COMPOUND_NAME> (590)
WAY-298450

>  <BAR_CODE_NO> (590)
3899930

$$$$
WAY-298451
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    9.4784    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2824    2.7529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4567    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2019    2.1254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7273    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6685    2.8195    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4784    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9254    2.1000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.2824    4.0038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9508    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9254    0.7412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1449    2.7725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1412    2.7529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1412    4.0038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9508    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4567    0.6706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2372    0.0529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6979    0.0941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1548    2.8019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1548    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3784    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3784    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  6  1  0  0  0  0
  4  2  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  1  2  0  0  0  0
  8 12  1  0  0  0  0
  9  2  2  0  0  0  0
 10  1  1  0  0  0  0
 11  8  1  0  0  0  0
 12  1  1  0  0  0  0
 13  4  1  0  0  0  0
 14  9  1  0  0  0  0
 15 10  2  0  0  0  0
 16  3  2  0  0  0  0
 17 11  2  0  0  0  0
 18 11  1  0  0  0  0
 19 10  1  0  0  0  0
 20 13  1  0  0  0  0
 21 15  1  0  0  0  0
 22 19  2  0  0  0  0
 23 22  1  0  0  0  0
  5 15  1  0  0  0  0
 21 23  2  0  0  0  0
 14 13  2  0  0  0  0
M  END
>  <Mol_ID> (591)
591

>  <Formula> (591)
C17H16N2O4

>  <MolWeight> (591)
312.31994

>  <COMPOUND_NAME> (591)
WAY-298451

>  <BAR_CODE_NO> (591)
3899931

$$$$
WAY-298457
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
    1.7483    0.5517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1000    0.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    0.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7483    1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4483    0.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1000   -0.5759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0483    0.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    1.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000    0.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4483   -0.9483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0483    1.2931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000   -0.5759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7000    1.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8517   -0.9483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3517    1.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7000    2.4172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -0.5759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1517   -0.9483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.1759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8000   -0.5759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1517   -1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4517   -0.9483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8000   -2.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4517   -1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1000   -0.5759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1000    0.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  9 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 18 21  2  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 25 26  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (592)
592

>  <Formula> (592)
C20H23N3O3

>  <MolWeight> (592)
353.41492

>  <COMPOUND_NAME> (592)
WAY-298457

>  <BAR_CODE_NO> (592)
3899947

$$$$
WAY-298458
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    4.3917   -4.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5667   -4.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3125   -5.4292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9792   -5.9167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6500   -5.4292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167   -4.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6917   -4.6375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8500   -4.2292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.1042   -4.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2375   -2.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5250   -3.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292   -4.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4125   -3.4042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2292   -2.1667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1042   -3.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8125   -4.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5250   -4.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8042   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9500   -3.4042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208   -4.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   -5.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083   -5.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7333   -4.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7333   -5.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6 12  1  0  0  0  0
  7  6  1  0  0  0  0
  8  2  1  0  0  0  0
  9  1  1  0  0  0  0
 10 11  1  0  0  0  0
 11 17  2  0  0  0  0
 12  8  1  0  0  0  0
 13  6  2  0  0  0  0
 14 10  2  0  0  0  0
 15  9  1  0  0  0  0
 16  9  2  0  0  0  0
 17 16  1  0  0  0  0
 18 15  2  0  0  0  0
 19 10  1  0  0  0  0
 20  7  1  0  0  0  0
 21  7  1  0  0  0  0
 22 21  1  0  0  0  0
 23 20  1  0  0  0  0
 24 22  1  0  0  0  0
  4  3  1  0  0  0  0
 18 11  1  0  0  0  0
 24 23  1  0  0  0  0
M  END
>  <Mol_ID> (593)
593

>  <Formula> (593)
C15H17N5O3S

>  <MolWeight> (593)
347.39218

>  <COMPOUND_NAME> (593)
WAY-298458

>  <BAR_CODE_NO> (593)
3899949

$$$$
WAY-298463-A
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -1.0724    0.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0690    0.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3690    0.8759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7897    1.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3483   -0.3759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862   -0.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3724    0.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0759    1.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5000    0.8655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3448   -1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5034    0.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0828   -0.3655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7931    0.8759    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.0517   -1.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5034    1.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7966    0.0483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0621   -2.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7586   -1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5828    2.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2586    0.9621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7724   -2.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4759   -1.6034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3759    2.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8034    1.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4828   -2.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
 10 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 19  2  0  0  0  0
 15 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  2  0  0  0  0
 19 23  1  0  0  0  0
 20 24  1  0  0  0  0
 21 25  2  0  0  0  0
  5  7  1  0  0  0  0
  9 11  2  0  0  0  0
 22 25  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (594)
594

>  <Formula> (594)
C20H19N3O2

>  <MolWeight> (594)
333.38376

>  <COMPOUND_NAME> (594)
WAY-298463-A

>  <BAR_CODE_NO> (594)
3899958

$$$$
WAY-298466
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -3.0483    1.5062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5361    2.1783    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3235    1.9202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3219    1.0915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5335    0.8363    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2237    1.5065    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8111    0.7926    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9865    0.7930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2231    0.0783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2278    0.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4444   -0.5870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8619   -1.1695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0645   -0.9560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1471   -0.1546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4369    0.4245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5196   -1.5380    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2287   -1.1188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9471   -1.5237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2246   -0.2942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6568   -1.1056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3733   -1.5141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0826   -1.0967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0758   -0.2722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3539    0.1332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6476   -0.2865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7862    0.1476    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  1  2  2  0  0  0  0
  3  4  2  0  0  0  0
  5  1  1  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
  4  5  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 20  1  0  0  0  0
 23 26  1  0  0  0  0
M  END
>  <Mol_ID> (595)
595

>  <Formula> (595)
C17H14ClN3O3S2

>  <MolWeight> (595)
407.89436

>  <COMPOUND_NAME> (595)
WAY-298466

>  <BAR_CODE_NO> (595)
3899961

$$$$
WAY-298492
csChFnd80/06171916322D

 20 21  0  0  0  0  0  0  0  0999 V2000
    1.8897    0.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1793    0.5552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6000    0.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8897   -0.6828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4655    0.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3138    0.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6034   -1.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2483    0.5517    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.4655   -0.6862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3138   -0.6828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0276    0.5759    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.9586    0.1379    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2483    1.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6724    0.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3897    0.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3862   -0.6828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1000    0.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1103   -1.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8138    0.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8207   -0.6759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
  7 10  2  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (596)
596

>  <Formula> (596)
C16H16ClNOS

>  <MolWeight> (596)
305.82234

>  <COMPOUND_NAME> (596)
WAY-298492

>  <BAR_CODE_NO> (596)
3899993

$$$$
WAY-298494
csChFnd80/06171916322D

 29 31  0  0  0  0  0  0  0  0999 V2000
   -1.5483   -0.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7690    0.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3586    0.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5483   -1.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0724   -0.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7690    1.0241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1586   -0.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3586    1.0552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7690   -1.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0724   -1.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0724    1.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1586   -1.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9690    0.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7690   -2.6655    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.8517    1.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0724    2.4172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9690   -1.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7793   -0.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6621    1.5069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7793   -1.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621    1.0552    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.2724    0.5759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0103    0.2448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9414    1.8552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0828    1.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2724   -0.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8931    0.5759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0828   -0.8241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8931   -0.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  2  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  2  0  0  0  0
 12 17  2  0  0  0  0
 13 18  1  0  0  0  0
 15 19  1  0  0  0  0
 17 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 21 24  2  0  0  0  0
 22 25  1  0  0  0  0
 22 26  2  0  0  0  0
 25 27  2  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
  9 10  2  0  0  0  0
 18 20  2  0  0  0  0
 28 29  2  0  0  0  0
M  END
>  <Mol_ID> (597)
597

>  <Formula> (597)
C21H17ClN2O4S

>  <MolWeight> (597)
428.88868

>  <COMPOUND_NAME> (597)
WAY-298494

>  <BAR_CODE_NO> (597)
3899995

$$$$
WAY-298515
csChFnd80/06171916322D

 24 27  0  0  0  0  0  0  0  0999 V2000
    0.4279    0.1623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8825    0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2865   -0.4516    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7382    1.3726    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3273   -0.9551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7238    1.1761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5244   -0.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0658    1.5933    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6411   -0.9585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5721   -1.9551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9204    1.1381    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3445    2.1071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0382    0.4105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3003   -1.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0969    1.9450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7038    2.5968    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3997    0.1036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1342   -1.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2831    0.3657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5486   -1.4551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6445    0.0933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3583   -1.9826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0486   -0.5654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1135   -0.9447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  2  0  0  0  0
  7 14  1  0  0  0  0
  8 15  2  0  0  0  0
  8 16  2  0  0  0  0
  9 17  2  0  0  0  0
  9 18  1  0  0  0  0
 13 19  1  0  0  0  0
 14 20  2  0  0  0  0
 17 21  1  0  0  0  0
 18 22  2  0  0  0  0
 19 23  2  0  0  0  0
 21 24  2  0  0  0  0
  8 13  1  0  0  0  0
 11 17  1  0  0  0  0
 20 23  1  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <Mol_ID> (598)
598

>  <Formula> (598)
C16H11N3O4S

>  <MolWeight> (598)
341.34124

>  <COMPOUND_NAME> (598)
WAY-298515

>  <BAR_CODE_NO> (598)
3900022

$$$$
WAY-298517
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -0.3182    1.2665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3907    0.7010    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7611    0.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5251    2.4562    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5631   -0.4887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2562    1.5424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8369   -0.4680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7611    1.4010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7217    2.6286    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6838   -0.9335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6148   -1.2300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4424    1.3389    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9197   -0.9990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8438    0.8700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8562   -2.1300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7872   -2.4300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9266   -0.3266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9079   -2.8783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0093   -0.8645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0093   -0.1887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
 10 15  2  0  0  0  0
 11 16  1  0  0  0  0
 13 17  1  0  0  0  0
 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
  6  9  1  0  0  0  0
 14 17  2  0  0  0  0
 16 18  2  0  0  0  0
M  END
>  <Mol_ID> (599)
599

>  <Formula> (599)
C15H13N3OS

>  <MolWeight> (599)
283.34822

>  <COMPOUND_NAME> (599)
WAY-298517

>  <BAR_CODE_NO> (599)
3900025

$$$$
WAY-298521
csChFnd80/06171916322D

 19 20  0  0  0  0  0  0  0  0999 V2000
    4.0170    3.7236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5965    2.3787    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.3838    4.0215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8613    1.6428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3082    2.9701    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5209    1.3449    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0709    4.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2473    2.0632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6428    0.7622    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.7900    0.5914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2090    2.9745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2716    0.9243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5089    6.0980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7040    4.4814    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8044    5.3619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7754    5.5109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6968    3.2592    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1222    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  5  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  8  1  0  0  0  0
 10  4  2  0  0  0  0
 11  8  2  0  0  0  0
 12  9  1  0  0  0  0
 13  7  2  0  0  0  0
 14 11  1  0  0  0  0
 15  7  1  0  0  0  0
 16  3  1  0  0  0  0
 17 15  1  0  0  0  0
 18  5  1  0  0  0  0
 19  6  1  0  0  0  0
  6  4  1  0  0  0  0
 12 14  2  0  0  0  0
M  END
>  <Mol_ID> (600)
600

>  <Formula> (600)
C11H12N2O3S

>  <MolWeight> (600)
252.28958

>  <COMPOUND_NAME> (600)
WAY-298521

>  <BAR_CODE_NO> (600)
3900032

$$$$
WAY-298523
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.9931    0.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9931   -0.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5552    0.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4138    0.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5552   -0.5448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4138   -0.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1345    0.2172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5345    0.9759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8345    0.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1345   -0.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8345   -0.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3069   -0.5621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3552   -0.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7448   -0.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1655   -0.5828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7655    0.1966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6069   -0.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2069    0.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6276    0.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0276   -0.6034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2276    0.9379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0655    0.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 17 20  1  0  0  0  0
 18 21  2  0  0  0  0
 19 22  1  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (601)
601

>  <Formula> (601)
C16H17N5O

>  <MolWeight> (601)
295.33908

>  <COMPOUND_NAME> (601)
WAY-298523

>  <BAR_CODE_NO> (601)
3900035

$$$$
WAY-298530
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -2.5655   -0.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6414    0.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7690   -0.9345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2862   -1.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9172    0.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4448    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0379   -0.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0862   -0.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1138    0.4552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9931    1.7172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1655    0.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2345   -0.8103    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4931   -0.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2966   -0.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0241   -0.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3690   -1.5655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8276   -0.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9517    0.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5552   -0.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6828    1.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4862    0.8276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3586   -0.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2172    1.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
 21 23  1  0  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (602)
602

>  <Formula> (602)
C18H16N2O2S

>  <MolWeight> (602)
324.39684

>  <COMPOUND_NAME> (602)
WAY-298530

>  <BAR_CODE_NO> (602)
3900042

$$$$
WAY-298546
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
    2.2621    0.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1138    0.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8345    0.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8241    1.6103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2034   -0.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8034    1.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4138   -0.5310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9621    0.1103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9621    1.6103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9931   -0.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5931    0.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2414   -1.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5345    0.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6828    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3379    0.8586    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7759    0.1103    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.6483    0.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3483   -0.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0862   -0.6414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0759    0.8483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7759   -1.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9379   -0.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3759    0.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3655   -1.3897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2379    0.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2379   -1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6759   -0.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5379   -0.6621    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  2  0  0  0  0
 10 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  2  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  2  0  0  0  0
 27 28  1  0  0  0  0
  5  7  1  0  0  0  0
  9 13  1  0  0  0  0
 11 14  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (603)
603

>  <Formula> (603)
C19H17ClN6OS

>  <MolWeight> (603)
412.89588

>  <COMPOUND_NAME> (603)
WAY-298546

>  <BAR_CODE_NO> (603)
3900061

$$$$
WAY-298576
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -2.1310   -0.1897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4034    0.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3724    0.8276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1310   -1.8828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4034    1.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5034   -0.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1310    1.9207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0690    0.8276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6103   -2.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5034    2.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5966    0.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2517    2.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5724   -1.4586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5966    1.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5172    2.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0828    3.1897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5069   -1.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2655   -2.7276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1828   -0.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7034   -2.7276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6172   -0.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3828   -1.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8172   -1.2862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103   -0.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  2  0  0  0  0
 12 15  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
  5  7  1  0  0  0  0
 11 14  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (604)
604

>  <Formula> (604)
C18H19N3O3

>  <MolWeight> (604)
325.36176

>  <COMPOUND_NAME> (604)
WAY-298576

>  <BAR_CODE_NO> (604)
3900105

$$$$
WAY-298579
csChFnd80/06171916322D

 31 35  0  0  0  0  0  0  0  0999 V2000
    5.0542   -2.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3542   -2.2875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3625   -1.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7042   -2.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0542   -1.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7125   -1.1542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4000   -2.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4042   -1.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0125   -1.1625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -1.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -2.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0042   -2.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7042   -3.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6667   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6667    0.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0125   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3125   -0.4167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7417   -3.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0667   -3.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4042   -0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1042   -1.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0042   -3.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6542   -2.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7625   -3.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0917   -3.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1042   -0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3042   -2.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6500   -3.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4375   -4.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3000   -3.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  6  2  0  0  0  0
  4  1  1  0  0  0  0
  5  1  2  0  0  0  0
  6  5  1  0  0  0  0
  7  1  1  0  0  0  0
  8  5  1  0  0  0  0
  9  3  1  0  0  0  0
 10 11  1  0  0  0  0
 11  7  1  0  0  0  0
 12  2  1  0  0  0  0
 13  4  2  0  0  0  0
 14 16  1  0  0  0  0
 15 14  2  0  0  0  0
 16  9  1  0  0  0  0
 17 14  1  0  0  0  0
 18  7  1  0  0  0  0
 19  7  1  0  0  0  0
 20  8  2  0  0  0  0
 21 10  2  0  0  0  0
 22 12  1  0  0  0  0
 23 12  2  0  0  0  0
 24 18  1  0  0  0  0
 25 19  1  0  0  0  0
 26 20  1  0  0  0  0
 27 21  1  0  0  0  0
 28 23  1  0  0  0  0
 29 22  2  0  0  0  0
 30 25  1  0  0  0  0
 31 28  2  0  0  0  0
 10  8  1  0  0  0  0
  3  2  1  0  0  0  0
 24 30  1  0  0  0  0
 26 27  2  0  0  0  0
 29 31  1  0  0  0  0
M  END
>  <Mol_ID> (605)
605

>  <Formula> (605)
C25H25N3O2S

>  <MolWeight> (605)
431.5499

>  <COMPOUND_NAME> (605)
WAY-298579

>  <BAR_CODE_NO> (605)
3900109

$$$$
WAY-298597
csChFnd80/06171916322D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -2.8737    0.3559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8979   -0.5407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0772    0.7869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6461    0.8283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1254   -1.0165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6944   -0.9717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3082    0.3179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6220    1.7317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3289   -0.5786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7151   -1.8752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5116    0.7490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2642    0.2731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0504    0.7110    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8194    0.2352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6194    0.6697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8021   -0.6614    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3918    0.1938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4608   -0.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2297    0.5421    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.3435   -0.9131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8194   -0.1372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
  7  9  2  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (606)
606

>  <Formula> (606)
C16H19NO3S

>  <MolWeight> (606)
305.39196

>  <COMPOUND_NAME> (606)
WAY-298597

>  <BAR_CODE_NO> (606)
3900130

$$$$
WAY-298601
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.5229   -1.1675    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1749   -0.6935    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5229   -0.1955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0959   -0.3815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0959   -0.9815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3099    0.3805    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2991    0.4525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1121    1.1035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5121    1.0135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4721    0.6265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8469   -1.6805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0021   -1.4915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6741    0.0055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2621    0.0685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3431    1.6525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0541    0.7165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6209   -0.0815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6209   -1.2815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4521   -0.5435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9801    2.1235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9341    1.7185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1429   -0.3815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1429   -0.9815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  2  3  2  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  6  1  0  0  0  0
  8  9  1  0  0  0  0
  9  7  2  0  0  0  0
 10 14  1  0  0  0  0
 11  1  2  0  0  0  0
 12  1  2  0  0  0  0
 13  7  1  0  0  0  0
 13 14  2  0  0  0  0
 15  8  1  0  0  0  0
 16 10  1  0  0  0  0
  4 17  2  0  0  0  0
 18  5  2  0  0  0  0
 19 13  1  0  0  0  0
 20 15  1  0  0  0  0
 21 15  1  0  0  0  0
 22 23  2  0  0  0  0
 23 18  1  0  0  0  0
  3  4  1  0  0  0  0
 17 22  1  0  0  0  0
 10  8  2  0  0  0  0
M  END
>  <Mol_ID> (607)
607

>  <Formula> (607)
C17H18N2O3S

>  <MolWeight> (607)
330.40142

>  <COMPOUND_NAME> (607)
WAY-298601

>  <BAR_CODE_NO> (607)
3900134

$$$$
WAY-298606
csChFnd80/06171916322D

 30 34  0  0  0  0  0  0  0  0999 V2000
   -0.6000    0.4241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6000   -0.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1172    0.8241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3207    0.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4966   -1.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3207   -0.8138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8379    0.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1172    1.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0448    0.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3207    1.6862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2862   -1.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0448   -0.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5552    0.8241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8379    2.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7448    0.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9276   -1.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6034   -2.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7448   -0.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5552    1.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4724    0.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6276   -1.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0034   -0.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4379   -2.2448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1483   -3.0069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4724   -0.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2793    2.0379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3793   -1.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7379    0.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3000    2.8552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4276   -0.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
 13 19  1  0  0  0  0
 15 20  2  0  0  0  0
 16 21  2  0  0  0  0
 16 22  1  0  0  0  0
 17 23  1  0  0  0  0
 17 24  2  0  0  0  0
 18 25  2  0  0  0  0
 19 26  1  0  0  0  0
 21 27  1  0  0  0  0
 22 28  2  0  0  0  0
 26 29  1  0  0  0  0
 27 30  2  0  0  0  0
  9 12  2  0  0  0  0
 14 19  2  0  0  0  0
 20 25  1  0  0  0  0
 21 23  1  0  0  0  0
 28 30  1  0  0  0  0
M  END
>  <Mol_ID> (608)
608

>  <Formula> (608)
C24H17N3O3

>  <MolWeight> (608)
395.41008

>  <COMPOUND_NAME> (608)
WAY-298606

>  <BAR_CODE_NO> (608)
3900141

$$$$
WAY-298624
csChFnd80/06171916322D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -1.7655   -0.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0552   -0.8897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7655    0.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4793   -0.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3414   -0.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4793    0.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1931   -0.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3690   -0.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7552    0.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0690   -1.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1931    0.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0897   -0.4690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3655    0.7690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9034    0.7586    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.7966   -0.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5172   -0.4690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8034    0.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2276   -0.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5172    1.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2345    0.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9414   -0.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
  7 11  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (609)
609

>  <Formula> (609)
C16H17ClN2O2

>  <MolWeight> (609)
304.77138

>  <COMPOUND_NAME> (609)
WAY-298624

>  <BAR_CODE_NO> (609)
3900167

$$$$
WAY-298626
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -2.2897   -0.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2897    0.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5828   -1.0586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -1.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5828    0.5931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    0.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8724   -0.6448    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.7207   -0.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8724    0.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7207    0.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1517   -1.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5621   -0.6448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1517   -1.8828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5517    0.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2724   -1.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2655    0.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9862   -0.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9862    0.1793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7000    0.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6897    1.4172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4103    0.1793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4034    1.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4034    2.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (610)
610

>  <Formula> (610)
C16H20N2O5

>  <MolWeight> (610)
320.3404

>  <COMPOUND_NAME> (610)
WAY-298626

>  <BAR_CODE_NO> (610)
3900170

$$$$
WAY-298643
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -0.7759    1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7759    1.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1621    2.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3828    2.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1621    0.8552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3828    0.8552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3483    2.9621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4517    1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2345    2.9621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0103    1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4517    1.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1621    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0103    1.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4172   -0.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3897   -1.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0241   -0.0241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9759   -1.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2103   -1.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9759   -2.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1828   -2.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3897   -2.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5759   -2.4241    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.3897   -3.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5759   -3.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1862   -2.0759    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  2  0  0  0  0
 22 25  1  0  0  0  0
  7  9  1  0  0  0  0
  8 11  2  0  0  0  0
 10 13  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (611)
611

>  <Formula> (611)
C20H16N2O3

>  <MolWeight> (611)
332.35264

>  <COMPOUND_NAME> (611)
WAY-298643

>  <BAR_CODE_NO> (611)
3900189

$$$$
WAY-298654
csChFnd80/06171916322D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.1000   -0.8759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7103   -0.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9069   -0.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7103    0.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5207   -0.8759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7172   -0.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9069    0.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5207    1.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3310   -0.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5310   -0.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7379    0.9966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3310    0.5345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5207    1.9448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1448   -0.8552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5517    0.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3379   -0.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  2  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
  9 12  1  0  0  0  0
 11 15  2  0  0  0  0
M  END
>  <Mol_ID> (612)
612

>  <Formula> (612)
C11H11N3O2

>  <MolWeight> (612)
217.22394

>  <COMPOUND_NAME> (612)
WAY-298654

>  <BAR_CODE_NO> (612)
3900201

$$$$
WAY-298663-A
csChFnd80/06171916322D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -0.9897   -0.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3414    0.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6414    0.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9897   -0.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3103   -0.1069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3414    1.0172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2897   -0.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6414   -1.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9586    0.2690    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.2897   -0.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6103   -0.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9586    1.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9414   -1.2310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2586    0.2690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5897   -0.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2586    1.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9103   -0.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2414   -1.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9103    1.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5586    0.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5586    1.0172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 19 21  1  0  0  0  0
  8 10  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (613)
613

>  <Formula> (613)
C16H23NO4

>  <MolWeight> (613)
293.35812

>  <COMPOUND_NAME> (613)
WAY-298663-A

>  <BAR_CODE_NO> (613)
3900210

$$$$
WAY-298673
csChFnd80/06171916322D

 24 28  0  0  0  0  0  0  0  0999 V2000
    0.0138   -0.0690    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0241    0.7448    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.7000   -0.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7241   -0.4897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7379    1.1448    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.5759    1.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4138   -0.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7138   -1.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4379   -0.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4379    0.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5793    1.9448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2345    2.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1345   -0.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4241   -1.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.7207    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.1379   -0.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1621    1.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1379   -1.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9138   -0.2069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8552   -0.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8759    0.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9207   -1.5448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4000   -0.8793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5862    1.1310    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  2  0  0  0  0
  8 15  1  0  0  0  0
  9 16  2  0  0  0  0
 10 17  2  0  0  0  0
 13 18  2  0  0  0  0
 13 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
 19 23  1  0  0  0  0
 21 24  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  2  0  0  0  0
 14 18  1  0  0  0  0
 20 21  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (614)
614

>  <Formula> (614)
C19H15BrFNO2

>  <MolWeight> (614)
388.2303032

>  <COMPOUND_NAME> (614)
WAY-298673

>  <BAR_CODE_NO> (614)
3900221

$$$$
WAY-298675
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
    1.4414    0.4345    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2310    1.2241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8690   -0.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4552    1.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9241    1.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0793   -0.9345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0793    0.0621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5621    1.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1759    0.9862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3138    2.3241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5034   -1.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9448    1.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7241   -2.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2862   -1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0828    2.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5828    0.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1414   -2.8966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8690   -1.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8483    2.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3483    1.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6586   -2.6759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3690   -3.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6759   -1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4966    1.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  7 12  1  0  0  0  0
 10 13  1  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 19  2  0  0  0  0
 16 20  2  0  0  0  0
 17 21  1  0  0  0  0
 18 22  2  0  0  0  0
 18 23  1  0  0  0  0
 19 24  1  0  0  0  0
 20 25  1  0  0  0  0
  6  9  1  0  0  0  0
 19 22  1  0  0  0  0
 21 25  2  0  0  0  0
M  END
>  <Mol_ID> (615)
615

>  <Formula> (615)
C20H22N2O3

>  <MolWeight> (615)
338.40028

>  <COMPOUND_NAME> (615)
WAY-298675

>  <BAR_CODE_NO> (615)
3900224

$$$$
WAY-298686
csChFnd80/06171916322D

 30 32  0  0  0  0  0  0  0  0999 V2000
    0.3379    0.0483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3759    0.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3379   -0.7759    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0483    0.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0862    0.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3759    1.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3759   -1.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1586   -0.7759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9207   -1.3621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7690    0.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8000    0.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0862    1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0862   -0.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3759   -2.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4828    0.4621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7621   -0.7759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8000    1.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5138    0.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8000   -1.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0931   -2.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1966    0.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4828    1.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5138    1.7000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.5138   -0.7759    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7241    0.8414    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2241    0.4621    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8034   -2.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9172    0.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2069    1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9276    1.2793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  3  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  2  0  0  0  0
  7 14  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  2  0  0  0  0
 11 17  2  0  0  0  0
 11 18  1  0  0  0  0
 13 19  1  0  0  0  0
 14 20  2  0  0  0  0
 15 21  1  0  0  0  0
 15 22  1  0  0  0  0
 17 23  1  0  0  0  0
 18 24  1  0  0  0  0
 18 25  1  0  0  0  0
 18 26  1  0  0  0  0
 19 27  2  0  0  0  0
 21 28  1  0  0  0  0
 22 29  1  0  0  0  0
 28 30  1  0  0  0  0
 12 17  1  0  0  0  0
 20 27  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (616)
616

>  <Formula> (616)
C19H18ClF3N2O4S

>  <MolWeight> (616)
462.8704296

>  <COMPOUND_NAME> (616)
WAY-298686

>  <BAR_CODE_NO> (616)
3900240

$$$$
WAY-298690
csChFnd80/06171916322D

 24 25  0  0  0  0  0  0  0  0999 V2000
   -3.0238    0.3659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9963    1.7452    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8238   -0.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2549   -0.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7859    2.4245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8238   -1.7237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2445   -1.7237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5963    1.7349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7756    3.8349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0238   -2.4237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5963    0.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0238   -3.8134    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.6037   -0.3548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6037   -1.7444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7969   -2.4444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0037   -1.7444    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7865   -3.8341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0244   -0.3548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2244    0.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8244    0.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2244    1.7349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7969    1.7349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0244    2.4245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0555    3.8245    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
 23 24  1  0  0  0  0
  7 10  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (617)
617

>  <Formula> (617)
C18H18Br2N2O2

>  <MolWeight> (617)
454.15572

>  <COMPOUND_NAME> (617)
WAY-298690

>  <BAR_CODE_NO> (617)
3900245

$$$$
WAY-298691
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.0690    0.9966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6517    0.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0759    1.8276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7759    0.5759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6621   -0.2276    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3586    1.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3517    1.8483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000    2.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.9759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6655   -1.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0483   -0.6448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3828   -0.6345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5103    1.8103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3793   -1.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0483   -1.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2345    2.2069    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.3862   -2.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0448   -2.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9414    1.7862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2448    3.0310    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.6724   -2.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1034   -2.6759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6724   -3.5207    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  5 12  2  0  0  0  0
  8 13  2  0  0  0  0
 10 14  1  0  0  0  0
 10 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 17 22  1  0  0  0  0
 21 23  1  0  0  0  0
  6  7  2  0  0  0  0
  9 13  1  0  0  0  0
 18 21  2  0  0  0  0
M  END
>  <Mol_ID> (618)
618

>  <Formula> (618)
C14H10ClN3O4S

>  <MolWeight> (618)
351.7649

>  <COMPOUND_NAME> (618)
WAY-298691

>  <BAR_CODE_NO> (618)
3900246

$$$$
WAY-298692
csChFnd80/06171916322D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.1414    0.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3207   -0.1759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2310    0.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5897    2.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4897    0.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3207   -1.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2483    1.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5690   -1.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0310    2.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8828    0.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0828   -2.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6310    0.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9483   -1.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2207   -1.1414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9310    1.2379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9897   -0.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4000   -0.8966    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  2  0  0  0  0
 12 16  1  0  0  0  0
 16 17  1  0  0  0  0
  5  9  2  0  0  0  0
 13 16  2  0  0  0  0
M  END
>  <Mol_ID> (619)
619

>  <Formula> (619)
C13H10ClNO2

>  <MolWeight> (619)
247.677

>  <COMPOUND_NAME> (619)
WAY-298692

>  <BAR_CODE_NO> (619)
3900247

$$$$
WAY-298693
csChFnd80/06171916322D

 25 26  0  0  0  0  0  0  0  0999 V2000
   -2.4172    0.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0655    0.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4172   -0.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7448    0.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7241    0.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0759   -0.8828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0862    0.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7448   -0.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4172    0.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4241   -0.8828    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.2345    0.2655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4172    1.4172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4448   -1.6483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0759   -0.4966    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.9138    0.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5621    0.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2241    0.6517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9034    0.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5552    0.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9034   -0.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2241    0.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5552   -0.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2241   -0.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8828    0.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8828   -0.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  2  0  0  0  0
  5  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  2  0  0  0  0
 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
 21 24  1  0  0  0  0
 23 25  1  0  0  0  0
  6  8  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (620)
620

>  <Formula> (620)
C19H20N2O4

>  <MolWeight> (620)
340.3731

>  <COMPOUND_NAME> (620)
WAY-298693

>  <BAR_CODE_NO> (620)
3900248

$$$$
WAY-298722-A
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
    1.1519    1.4516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7312    1.9689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1312    0.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5002    1.8206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4002    2.6206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5105    1.8896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4105    0.1999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6588    2.5896    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8519    3.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9485    2.5413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4519   -0.6173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3205    0.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6312    3.2413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2515   -1.0484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0308    0.1516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9998   -0.6587    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6895   -1.0794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6895   -1.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5826   -0.5587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0308   -2.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3688   -2.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9895   -3.0104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3826   -3.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6998   -3.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3412   -3.4001    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  9 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
 22 25  1  0  0  0  0
  5  8  1  0  0  0  0
 10 13  1  0  0  0  0
 15 16  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (621)
621

>  <Formula> (621)
C20H20FN3O

>  <MolWeight> (621)
337.3907032

>  <COMPOUND_NAME> (621)
WAY-298722-A

>  <BAR_CODE_NO> (621)
3900282

$$$$
WAY-298724
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
    0.7103    1.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0103    0.8069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5310    0.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7103    2.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7414    1.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0310   -0.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3793    1.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5310    2.6483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4517    0.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6690   -0.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3793    2.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4207   -0.0517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1000    2.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1103   -0.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9379    2.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1000    3.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1103   -1.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9207   -0.0034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7793    2.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9379    4.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9207   -1.8621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3207   -1.8621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7793    3.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9207   -2.7931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3103   -2.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1000   -3.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7310   -3.2724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1000   -4.2034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7414   -4.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3207   -4.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  2  0  0  0  0
 17 21  1  0  0  0  0
 17 22  2  0  0  0  0
 19 23  2  0  0  0  0
 21 24  2  0  0  0  0
 22 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 20 23  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <Mol_ID> (622)
622

>  <Formula> (622)
C25H32N2O3

>  <MolWeight> (622)
408.53318

>  <COMPOUND_NAME> (622)
WAY-298724

>  <BAR_CODE_NO> (622)
3900285

$$$$
WAY-298740
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
    0.9432    0.2900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4860    0.2900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9432    1.1067    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4818    1.1067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2307   -0.1308    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1985   -0.1308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6557   -0.1308    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2068   -0.9558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1985    1.5192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6557   -0.9558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3682   -1.3725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4860   -1.3725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1985    2.3442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9110    1.1150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6193    2.3442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9193   -1.3683    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9110    2.7650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6193    1.5192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3360    2.7567    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0807   -0.9683    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9390   -1.3725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3682   -2.2058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7932   -1.3850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9390   -2.1975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6557   -2.6100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  6  1  0  0  0  0
  9  4  1  0  0  0  0
 10  7  1  0  0  0  0
 11 10  2  0  0  0  0
 12  8  2  0  0  0  0
 13  9  1  0  0  0  0
 14  9  2  0  0  0  0
 15 18  2  0  0  0  0
 16  8  1  0  0  0  0
 17 13  2  0  0  0  0
 18 14  1  0  0  0  0
 19 15  1  0  0  0  0
 20 11  1  0  0  0  0
 21 10  1  0  0  0  0
 22 11  1  0  0  0  0
 23 20  1  0  0  0  0
 24 21  2  0  0  0  0
 25 24  1  0  0  0  0
  2  4  2  0  0  0  0
 25 22  2  0  0  0  0
 17 15  1  0  0  0  0
M  END
>  <Mol_ID> (623)
623

>  <Formula> (623)
C18H15ClN2O3S

>  <MolWeight> (623)
374.8413

>  <COMPOUND_NAME> (623)
WAY-298740

>  <BAR_CODE_NO> (623)
3900304

$$$$
WAY-298760
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    0.0273    0.2158    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7894    0.6572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0273   -0.6945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8348    0.4779    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5687    0.2158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7894    1.5710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8348   -0.9566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7894   -1.1359    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3244   -0.2566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5687   -0.6945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6997    1.5710    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.7894    2.4538    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1037    1.5710    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2382   -0.2566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3514   -1.1359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6830    0.5262    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6830   -1.0359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1549   -0.7428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4825   -1.9980    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5727    0.5607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7859   -1.3738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3687   -2.1566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0141    1.3089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9037    1.3089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  2  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (624)
624

>  <Formula> (624)
C15H13F3N4OS

>  <MolWeight> (624)
354.3501296

>  <COMPOUND_NAME> (624)
WAY-298760

>  <BAR_CODE_NO> (624)
3900329

$$$$
WAY-298767
csChFnd80/06171916322D

 28 30  0  0  0  0  0  0  0  0999 V2000
    0.6517    0.9517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9138    0.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1655    0.9517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1379    1.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2241   -0.3138    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6862   -0.0966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4172    0.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6621    1.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9448    1.5241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000    2.3552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8586   -0.8966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2138   -0.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4448    2.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6379   -1.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2448   -1.4448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8172    0.4759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4034   -0.8897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8931   -1.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3034   -0.6655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5069    0.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7138   -1.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9655   -1.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5931   -0.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1069    0.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2793   -0.8655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7966    0.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8828   -0.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5759   -0.7172    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  9 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12 16  1  0  0  0  0
 12 17  2  0  0  0  0
 14 18  2  0  0  0  0
 14 19  1  0  0  0  0
 16 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 20 24  2  0  0  0  0
 23 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
  5  7  1  0  0  0  0
 21 22  2  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <Mol_ID> (625)
625

>  <Formula> (625)
C19H15FN2O5S

>  <MolWeight> (625)
402.3962032

>  <COMPOUND_NAME> (625)
WAY-298767

>  <BAR_CODE_NO> (625)
3900338

$$$$
WAY-298784
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -0.0966    0.9172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0966   -0.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0586    1.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414    0.9172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8759   -0.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0586   -0.7414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0345    0.9172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0586    2.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414   -0.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8759   -1.9034    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.0345   -0.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0586    3.8172    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.1241    2.6517    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2483    2.6517    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.8793   -0.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0517   -0.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9483   -0.3069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8621   -1.8207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0517   -1.9690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0655   -0.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0414    0.8655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9310   -0.9759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1207   -2.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1207   -0.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1448    1.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9966   -0.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1379   -1.9207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1000    0.6793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1759   -2.4862    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 11 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 16 20  2  0  0  0  0
 17 21  1  0  0  0  0
 17 22  1  0  0  0  0
 19 23  2  0  0  0  0
 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
 22 26  1  0  0  0  0
 23 27  1  0  0  0  0
 25 28  1  0  0  0  0
 27 29  1  0  0  0  0
  5  9  1  0  0  0  0
  7 11  1  0  0  0  0
 24 27  2  0  0  0  0
 26 28  1  0  0  0  0
M  END
>  <Mol_ID> (626)
626

>  <Formula> (626)
C18H13BrClF3N4O2

>  <MolWeight> (626)
489.6736296

>  <COMPOUND_NAME> (626)
WAY-298784

>  <BAR_CODE_NO> (626)
3900356

$$$$
WAY-298788
csChFnd80/06171916322D

 22 23  0  0  0  0  0  0  0  0999 V2000
   -0.9779   -0.3768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7171    1.1712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4619    0.5262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9779    0.2202    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9811    0.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4619   -0.6828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4939   -0.6828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6241    0.2022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0541    0.2202    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4619    1.1202    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4939   -1.2798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4619   -1.2798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9779   -1.5858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3991    1.6632    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.0381    1.7112    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.1561    1.1472    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.5931    0.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8671   -0.2058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0069   -1.5858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0541   -1.5858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8181    0.2442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4731   -0.2718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5  8  1  0  0  0  0
  6  1  1  0  0  0  0
  1  7  2  0  0  0  0
  8  9  1  0  0  0  0
  9  3  1  0  0  0  0
 10  3  2  0  0  0  0
 11  7  1  0  0  0  0
 12  6  2  0  0  0  0
 11 13  2  0  0  0  0
 14  2  1  0  0  0  0
 15  2  1  0  0  0  0
 16  2  1  0  0  0  0
 17  5  2  0  0  0  0
  8 18  2  0  0  0  0
 19 11  1  0  0  0  0
 20 12  1  0  0  0  0
 22 21  2  0  0  0  0
 22 18  1  0  0  0  0
 12 13  1  0  0  0  0
 17 21  1  0  0  0  0
M  END
>  <Mol_ID> (627)
627

>  <Formula> (627)
C14H14F3N5

>  <MolWeight> (627)
309.2896696

>  <COMPOUND_NAME> (627)
WAY-298788

>  <BAR_CODE_NO> (627)
3900362

$$$$
WAY-298809
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.9000    0.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6207   -0.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1828   -0.1655    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9000    1.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3310    0.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5310    0.2517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1828   -0.9897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1862    0.6586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6207    1.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3310    1.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0448   -0.1621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2414   -0.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0448    1.4897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0448   -0.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9552    0.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2414   -0.9897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7586    1.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6690   -0.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9621   -1.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6759   -0.9793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4552    0.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4621   -1.2379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9414   -0.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
  9 10  1  0  0  0  0
 19 20  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (628)
628

>  <Formula> (628)
C15H15NO6S

>  <MolWeight> (628)
337.3477

>  <COMPOUND_NAME> (628)
WAY-298809

>  <BAR_CODE_NO> (628)
3900387

$$$$
WAY-298811-A
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
    0.1483   -1.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8586   -1.4862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1379   -0.2483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5724   -1.4862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8586   -2.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5759   -1.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5724    0.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2759   -1.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5724   -2.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2897   -1.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2862   -0.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5724    0.9897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0000   -1.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2897   -2.3172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0000    0.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1379    1.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7103   -1.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -2.7276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7103   -0.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1379    2.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8517    2.6483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5759    2.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8517    3.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5759    3.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1379    3.8828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  2  0  0  0  0
  8 11  1  0  0  0  0
 10 14  1  0  0  0  0
 17 19  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (629)
629

>  <Formula> (629)
C20H23N5

>  <MolWeight> (629)
333.43012

>  <COMPOUND_NAME> (629)
WAY-298811-A

>  <BAR_CODE_NO> (629)
3900390

$$$$
WAY-298813
csChFnd80/06171916322D

 20 21  0  0  0  0  0  0  0  0999 V2000
    4.8445    5.6004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8445    4.2004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6310    3.4817    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6310    6.2726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4268    5.6004    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.3802    4.2563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0952    6.2726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042    6.3099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3087    6.9819    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0285    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0827    3.5842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0485    3.4443    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4641    6.9819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8445    6.9445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0485    2.0722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2525    1.3814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4641    8.3726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8909    8.3447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2525    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7243    9.0447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  1  1  0  0  0  0
  8  5  1  0  0  0  0
  9  7  3  0  0  0  0
 10  8  3  0  0  0  0
 11  6  2  0  0  0  0
 12  2  1  0  0  0  0
 13  4  1  0  0  0  0
 14  4  1  0  0  0  0
 15 12  1  0  0  0  0
 16 15  1  0  0  0  0
 17 13  1  0  0  0  0
 18 14  1  0  0  0  0
 19 16  1  0  0  0  0
 20 18  1  0  0  0  0
  3  6  1  0  0  0  0
 17 20  1  0  0  0  0
M  END
>  <Mol_ID> (630)
630

>  <Formula> (630)
C15H19N3OS

>  <MolWeight> (630)
289.39586

>  <COMPOUND_NAME> (630)
WAY-298813

>  <BAR_CODE_NO> (630)
3900392

$$$$
WAY-298829
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
    1.7760   -0.6828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6898   -0.9345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2518   -1.4448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5587    0.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3587   -0.2690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7380   -1.8690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8380   -2.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2898   -1.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2242    0.8828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6587    0.4793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1725    0.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2760   -0.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1896   -0.7172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9898    1.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8518    1.3034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1275   -0.7172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3001    0.0448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9482   -0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9482    0.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7482   -0.6828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7482    1.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5723   -0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5896    0.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4275    1.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2275    0.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4482    2.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 11 15  2  0  0  0  0
 13 16  1  0  0  0  0
 13 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
  6  7  2  0  0  0  0
  9 11  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (631)
631

>  <Formula> (631)
C18H21N5O3

>  <MolWeight> (631)
355.39104

>  <COMPOUND_NAME> (631)
WAY-298829

>  <BAR_CODE_NO> (631)
3900413

$$$$
WAY-298835
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -3.0000    0.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    1.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6483   -0.3655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2138   -0.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6931    1.8724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2138    2.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8517    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3310    0.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3310    1.3586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5483    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2483   -0.4103    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.6483   -0.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5483   -1.6241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3483   -1.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3483    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7483   -1.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6483   -2.8414    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.7483    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4483   -0.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  6  9  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
  5  7  2  0  0  0  0
  8  9  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (632)
632

>  <Formula> (632)
C15H13ClN2O

>  <MolWeight> (632)
272.72952

>  <COMPOUND_NAME> (632)
WAY-298835

>  <BAR_CODE_NO> (632)
3900421

$$$$
WAY-298838
csChFnd80/06171916322D

 22 23  0  0  0  0  0  0  0  0999 V2000
    0.2448    0.3897    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.2448   -0.1103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0759    1.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8448    0.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7310   -0.1034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2483   -0.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8690    0.2069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7655    0.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6552    1.4138    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.4448    1.0897    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.4448    0.3966    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.3517   -1.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8448   -1.1621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2552    1.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3448   -1.8379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9517   -0.7966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9276    1.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9448   -2.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5517   -1.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4103    1.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4172    0.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5483   -1.8483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  2  0  0  0  0
  8 14  1  0  0  0  0
 12 15  2  0  0  0  0
 12 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  2  0  0  0  0
 17 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  2  0  0  0  0
  7  8  2  0  0  0  0
 19 22  1  0  0  0  0
M  END
>  <Mol_ID> (633)
633

>  <Formula> (633)
C14H16F3N3O2

>  <MolWeight> (633)
315.2909496

>  <COMPOUND_NAME> (633)
WAY-298838

>  <BAR_CODE_NO> (633)
3900428

$$$$
WAY-298842
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -0.6759   -0.6831    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5034   -0.1727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2138   -0.6831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4034   -1.1451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9448    0.1445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0034   -0.0037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3759   -0.1727    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4759   -1.1451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6759   -1.6141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9448    0.6756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1138    0.5169    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3966   -0.3658    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2138   -1.6141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6241    0.6859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7345    1.2066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0138    0.3273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2448    1.3652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5241    0.4859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6345    1.0169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1448    1.1756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
  8 13  2  0  0  0  0
 11 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 19 20  1  0  0  0  0
  5  7  1  0  0  0  0
  9 13  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (634)
634

>  <Formula> (634)
C16H15N3O

>  <MolWeight> (634)
265.3098

>  <COMPOUND_NAME> (634)
WAY-298842

>  <BAR_CODE_NO> (634)
3900436

$$$$
WAY-298861
csChFnd80/06171916322D

 22 23  0  0  0  0  0  0  0  0999 V2000
   -1.4481   -1.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4481    0.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5827   -1.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3101   -1.6310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5827    0.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7309   -1.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8381   -0.9828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7309    0.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9347   -1.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8105    0.3069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8170    0.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0726   -0.9828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9347   -2.9483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0032    0.3069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8170    2.2552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0726    0.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0032   -0.9828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1933    0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3830    0.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3347    2.2034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2726    1.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6278    2.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 13  2  0  0  0  0
 11 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12 16  1  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
  6  8  2  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (635)
635

>  <Formula> (635)
C15H14N2O5

>  <MolWeight> (635)
302.28206

>  <COMPOUND_NAME> (635)
WAY-298861

>  <BAR_CODE_NO> (635)
3900464

$$$$
WAY-298871
csChFnd80/06171916322D

 19 20  0  0  0  0  0  0  0  0999 V2000
    0.3724    0.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0138   -0.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2862   -0.1241    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.3724    0.9759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6517    0.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0138   -0.8552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9276    0.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2862   -0.8655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0138    1.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6517    0.9759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2828   -0.1345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3931   -1.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5690   -0.1241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0862    0.9552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2828   -0.8655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1069    0.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6483   -0.8655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8069    1.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3276   -1.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  2  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 17 19  1  0  0  0  0
  9 10  2  0  0  0  0
 16 18  2  0  0  0  0
M  END
>  <Mol_ID> (636)
636

>  <Formula> (636)
C14H18N2O3

>  <MolWeight> (636)
262.30432

>  <COMPOUND_NAME> (636)
WAY-298871

>  <BAR_CODE_NO> (636)
3900478

$$$$
WAY-298903
csChFnd80/06171916322D

 28 30  0  0  0  0  0  0  0  0999 V2000
    0.2414    0.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0207    0.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4448   -0.4069    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0172   -0.1897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8379    0.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4655    1.5207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0897    0.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1862   -0.9897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3345    1.5207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2759    1.4310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1276    2.2621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8828   -0.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9655   -1.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5759   -1.5379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7759    2.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4897    0.3828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0759   -0.9828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1310   -2.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5690   -0.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2793    0.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2931    1.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9172   -2.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3483   -0.9414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8793    0.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8931    1.7517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5241   -1.7517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0862   -3.1000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6897    1.5207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  2  0  0  0  0
 10 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 17  2  0  0  0  0
 13 18  2  0  0  0  0
 13 19  1  0  0  0  0
 16 20  1  0  0  0  0
 16 21  1  0  0  0  0
 18 22  1  0  0  0  0
 19 23  2  0  0  0  0
 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
 22 26  2  0  0  0  0
 22 27  1  0  0  0  0
 24 28  1  0  0  0  0
  5  7  2  0  0  0  0
 23 26  1  0  0  0  0
 25 28  1  0  0  0  0
M  END
>  <Mol_ID> (637)
637

>  <Formula> (637)
C20H21FN2O4S

>  <MolWeight> (637)
404.4551432

>  <COMPOUND_NAME> (637)
WAY-298903

>  <BAR_CODE_NO> (637)
3900521

$$$$
WAY-298910
csChFnd80/06171916322D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -0.0625    0.0402    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2855    0.5142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6295    0.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0625    1.0152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6295    0.8172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1385   -0.5328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7385   -0.6288    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1425   -0.0858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8885    0.5142    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1425    1.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6615    0.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6615    0.8172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1895   -0.0858    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.9215   -1.2078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1165   -0.2088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5035   -1.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7015   -0.3078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8875   -0.8778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  3  5  2  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  3  1  0  0  0  0
  9  2  2  0  0  0  0
 10  5  1  0  0  0  0
 11  8  2  0  0  0  0
 12 11  1  0  0  0  0
 13 11  1  0  0  0  0
 14  7  1  0  0  0  0
 15  7  1  0  0  0  0
 16 14  1  0  0  0  0
 17 15  1  0  0  0  0
 18 17  1  0  0  0  0
  5  4  1  0  0  0  0
 10 12  2  0  0  0  0
 18 16  1  0  0  0  0
M  END
>  <Mol_ID> (638)
638

>  <Formula> (638)
C13H15ClN2OS

>  <MolWeight> (638)
282.789

>  <COMPOUND_NAME> (638)
WAY-298910

>  <BAR_CODE_NO> (638)
3900530

$$$$
WAY-298965
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -0.5826    0.9761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1964    0.6140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5826    1.6623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0312    0.6140    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1964   -0.0895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8101    0.9761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0174    2.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1688    1.9830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0312   -0.0895    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5826   -0.4550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8101   -0.4550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4308    0.6140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0101    2.7140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1929    2.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5826   -1.1550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4308   -0.0895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6101    3.0450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0174   -1.5032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6308    3.7347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0416   -2.2170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5899   -1.1412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2308    4.0588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6554   -2.5239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2174   -1.4757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2519   -2.1653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8692   -2.4895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4692   -2.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0830   -2.4653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6830   -2.1032    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0899   -3.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 14  2  0  0  0  0
 10 15  1  0  0  0  0
 11 16  2  0  0  0  0
 13 17  2  0  0  0  0
 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  2  0  0  0  0
 23 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
  9 10  2  0  0  0  0
 12 16  1  0  0  0  0
 14 17  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (639)
639

>  <Formula> (639)
C23H20N4O3

>  <MolWeight> (639)
400.4299

>  <COMPOUND_NAME> (639)
WAY-298965

>  <BAR_CODE_NO> (639)
3900603

$$$$
WAY-299063
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -2.6724    1.7689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3034    0.6206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8552    2.0102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8655    2.6551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1517    0.2482    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0138   -0.3553    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2241    3.1378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2414    3.7965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1517   -0.9587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2897   -1.3415    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4310    4.0378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3241    3.6033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1448   -1.6656    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0414    5.0861    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2034    4.8102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9552   -1.1622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1448   -1.7242    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3276    0.1896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2138   -2.3311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2138   -3.5518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2414   -1.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2414   -4.1449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3103   -2.3311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3103   -3.5518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0034   -3.9553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9517   -3.1691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
  9 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
 14 15  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (640)
640

>  <Formula> (640)
C17H14N4O4S

>  <MolWeight> (640)
370.38246

>  <COMPOUND_NAME> (640)
WAY-299063

>  <BAR_CODE_NO> (640)
3900736

$$$$
WAY-299067
csChFnd80/06171916322D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -0.9554   -0.3910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9692   -0.7186    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9554    0.6918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0313   -0.9255    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3451   -1.7013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5727    0.1814    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0313    1.2194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9692    1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9239   -0.3910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4072   -1.8565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6830   -2.5358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9239    0.6918    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0313    2.3021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8618   -0.9255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7830   -2.8634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0554   -3.5255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8377    1.2400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1244   -3.6944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8377    2.3021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7721    0.6918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7480    2.8366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7032    1.2400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6894    2.3021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6170    2.8159    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  2  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  2  0  0  0  0
 12 17  1  0  0  0  0
 15 18  2  0  0  0  0
 17 19  1  0  0  0  0
 17 20  2  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
  6  8  2  0  0  0  0
  9 12  1  0  0  0  0
 16 18  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (641)
641

>  <Formula> (641)
C18H13BrN4O

>  <MolWeight> (641)
381.22602

>  <COMPOUND_NAME> (641)
WAY-299067

>  <BAR_CODE_NO> (641)
3900740

$$$$
WAY-299073
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
    0.0228   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6358    0.3398    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1711   -0.5292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5978   -1.4878    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7254   -0.0602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2875    1.4363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8194    0.3708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8884   -1.4568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6840   -1.1671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7323    0.4984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8091    1.6880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9366    0.0501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9677   -1.0465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5677   -2.5844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6737   -1.7568    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7116   -0.0913    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7634    1.6570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1608    2.7742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5884    0.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8642    0.7398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6909   -1.2258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6427   -2.9258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2780    3.0260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7056    1.0880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6806   -1.8258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0470    2.1673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 10 17  2  0  0  0  0
 11 18  2  0  0  0  0
 11 19  1  0  0  0  0
 12 20  1  0  0  0  0
 15 21  1  0  0  0  0
 15 22  1  0  0  0  0
 18 23  1  0  0  0  0
 19 24  2  0  0  0  0
 21 25  2  0  0  0  0
 23 26  2  0  0  0  0
  5  9  2  0  0  0  0
 12 13  1  0  0  0  0
 16 21  1  0  0  0  0
 24 26  1  0  0  0  0
M  END
>  <Mol_ID> (642)
642

>  <Formula> (642)
C18H18N6O2

>  <MolWeight> (642)
350.37452

>  <COMPOUND_NAME> (642)
WAY-299073

>  <BAR_CODE_NO> (642)
3900749

$$$$
WAY-299090-A
csChFnd80/06171916322D

 21 22  0  0  0  0  0  0  0  0999 V2000
    0.5138    0.0828    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.8517    0.6828    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.8517   -0.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1862    0.0828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5310    0.6828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5138    1.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5310   -0.5172    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.5310    0.6828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8690    0.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8517    1.8828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1690    1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8690   -1.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2069    0.6828    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.5483    0.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5483    1.2828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2069   -0.5138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5207   -0.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5552   -1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1690   -1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2069   -1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5310   -1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
  7  9  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (643)
643

>  <Formula> (643)
C18H35NO2

>  <MolWeight> (643)
297.476

>  <COMPOUND_NAME> (643)
WAY-299090-A

>  <BAR_CODE_NO> (643)
3900768

$$$$
WAY-299248
csChFnd80/06171916322D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -1.5138    0.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5138   -0.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000    0.8483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2310    0.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2310   -0.8103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -0.8103    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.0897    0.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9448    0.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9448   -0.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0793   -0.3897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7931   -1.6345    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.6241    0.8552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3448    0.4483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6241    1.6793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0621    0.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1483   -0.7828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8103    0.3793    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.9621   -0.9517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3690   -0.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
  8  9  2  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (644)
644

>  <Formula> (644)
C11H9N3O4S

>  <MolWeight> (644)
279.27186

>  <COMPOUND_NAME> (644)
WAY-299248

>  <BAR_CODE_NO> (644)
3900984

$$$$
WAY-299315
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
    0.1456   -1.5364    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0218   -0.0415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5021   -2.1766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2379   -2.1160    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2545    0.8132    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4382    0.3027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7348   -1.3219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6259   -3.6715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2167   -0.9794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6110    0.1729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1019   -3.9388    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.1259   -3.6645    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.4882   -5.1651    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7116   -1.1032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8437    1.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5662    0.1295    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3518   -2.4597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7199    2.5225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2002    0.3874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0611    0.0057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9260    1.4860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9526    3.3771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4329    1.2420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9158    1.2384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7807    2.7187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3091    2.7369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2755    2.5949    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5418    3.5915    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -7.1302    3.8276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 16 21  1  0  0  0  0
 18 22  1  0  0  0  0
 19 23  2  0  0  0  0
 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
 22 26  2  0  0  0  0
 24 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
 23 26  1  0  0  0  0
 25 27  1  0  0  0  0
M  END
>  <Mol_ID> (645)
645

>  <Formula> (645)
C19H17BrF3N5O

>  <MolWeight> (645)
468.2703896

>  <COMPOUND_NAME> (645)
WAY-299315

>  <BAR_CODE_NO> (645)
3901074

$$$$
WAY-299338
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -2.0000    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4625    1.3333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4625    2.5958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2000    1.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2000    2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2000    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7208   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208    1.9583    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4833   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4833    0.1708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8833    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8833    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542    0.5958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8208    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5375   -0.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5375    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5625    1.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5625    2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3375   -0.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3375    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7167    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  6  1  0  0  0  0
  8  1  1  0  0  0  0
  9  7  2  0  0  0  0
 10  7  1  0  0  0  0
 11 14  1  0  0  0  0
 12  4  1  0  0  0  0
 13  5  1  0  0  0  0
 14 16  1  0  0  0  0
 15  8  1  0  0  0  0
 16 15  1  0  0  0  0
 17 11  1  0  0  0  0
 18 11  2  0  0  0  0
 19 12  2  0  0  0  0
 20 13  2  0  0  0  0
 21 17  2  0  0  0  0
 22 18  1  0  0  0  0
 23 22  2  0  0  0  0
  5  4  2  0  0  0  0
 20 19  1  0  0  0  0
 23 21  1  0  0  0  0
M  END
>  <Mol_ID> (646)
646

>  <Formula> (646)
C17H16N2O3S

>  <MolWeight> (646)
328.38554

>  <COMPOUND_NAME> (646)
WAY-299338

>  <BAR_CODE_NO> (646)
3901099

$$$$
WAY-299347
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
    1.6655    0.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8414    0.1586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0793    0.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0793   -0.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4276   -0.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4276    0.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6655    1.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9034    0.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6655   -1.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9034   -0.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4000   -0.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4000    0.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0793    2.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3172    1.5828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0793   -1.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3172   -1.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8138    0.1586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9034    2.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9034   -1.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6379    0.1586    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621    0.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6448   -0.6655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6448    0.9828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8828   -0.5483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8724    0.8828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7000   -0.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4724   -1.2621    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -3.6966    0.8828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1138    0.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6448   -1.2655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8828   -1.9793    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  2  0  0  0  0
 11 17  1  0  0  0  0
 13 18  1  0  0  0  0
 15 19  2  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 20 23  2  0  0  0  0
 21 24  1  0  0  0  0
 21 25  2  0  0  0  0
 24 26  2  0  0  0  0
 24 27  1  0  0  0  0
 25 28  1  0  0  0  0
 26 29  1  0  0  0  0
 27 30  2  0  0  0  0
 27 31  1  0  0  0  0
 12 17  1  0  0  0  0
 14 18  2  0  0  0  0
 16 19  1  0  0  0  0
 28 29  2  0  0  0  0
M  END
>  <Mol_ID> (647)
647

>  <Formula> (647)
C23H23N3O4S

>  <MolWeight> (647)
437.51142

>  <COMPOUND_NAME> (647)
WAY-299347

>  <BAR_CODE_NO> (647)
3901111

$$$$
WAY-299360
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -2.1034   -0.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1517   -1.3586    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0276   -1.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9724    0.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4414   -0.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9207   -0.8655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9552    0.3379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6000   -0.7241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9000    0.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8448   -1.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2345    0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8000    0.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7414   -0.8241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2793   -0.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8241    1.0862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7172    0.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9069    0.8276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9552    0.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4690   -0.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6655    1.4621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4862   -0.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6172    1.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5345    1.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  2  0  0  0  0
  8 11  1  0  0  0  0
  9 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12 16  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
  5  7  2  0  0  0  0
 13 16  2  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (648)
648

>  <Formula> (648)
C18H18N2O2S

>  <MolWeight> (648)
326.41272

>  <COMPOUND_NAME> (648)
WAY-299360

>  <BAR_CODE_NO> (648)
3901127

$$$$
WAY-299392
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -1.3034    0.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1310    0.4552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9034   -0.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8931    1.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5414    1.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0793   -0.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0724    1.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3690    1.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1207    1.8897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3310    0.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8552    1.8655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8552    0.5172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1586    0.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6310    1.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6414    0.7897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5690   -0.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5793    1.1655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3966   -0.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8069   -0.9828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3966   -1.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6310   -0.9724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8069   -2.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0448   -1.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6310   -2.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0448   -3.1172    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  8 11  2  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  2  0  0  0  0
 16 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
 24 25  1  0  0  0  0
  7 10  2  0  0  0  0
 14 15  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (649)
649

>  <Formula> (649)
C20H14BrNO3

>  <MolWeight> (649)
396.23406

>  <COMPOUND_NAME> (649)
WAY-299392

>  <BAR_CODE_NO> (649)
3901169

$$$$
WAY-299413
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.4510   -0.7840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7993   -0.3598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4510   -2.2460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7973   -0.0840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200   -1.5012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3131    0.9919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7993   -2.6736    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7973   -2.9633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0352   -0.7771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0441   -1.4771    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3648    2.0747    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6786    1.2471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0352   -2.2633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0111    1.8298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9352    2.9471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4973    0.4953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3249    2.7160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9180    0.2298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8800    1.3850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2904    1.2126    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
  8 13  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 19 20  1  0  0  0  0
  5  7  1  0  0  0  0
  9 13  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (650)
650

>  <Formula> (650)
C15H15ClN2OS

>  <MolWeight> (650)
306.8104

>  <COMPOUND_NAME> (650)
WAY-299413

>  <BAR_CODE_NO> (650)
3901200

$$$$
WAY-299461
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.6875    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583   -0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0375   -0.4875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4708   -0.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4042    1.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4708    1.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167    0.7458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1833   -0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1833    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5417   -0.0792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0500    1.9958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3917   -0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4708   -1.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1125   -0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8292    1.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8250   -0.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5500    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9000   -0.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  6  2  0  0  0  0
  4  5  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  1  0  0  0  0
  7  2  2  0  0  0  0
  8  1  1  0  0  0  0
  9  4  2  0  0  0  0
 10  8  1  0  0  0  0
 11  7  1  0  0  0  0
 12  9  1  0  0  0  0
 13 20  1  0  0  0  0
 14  5  1  0  0  0  0
 15  6  1  0  0  0  0
 16  7  1  0  0  0  0
 17 10  1  0  0  0  0
 18 10  1  0  0  0  0
 19 17  1  0  0  0  0
 20 18  1  0  0  0  0
 21 11  1  0  0  0  0
  2  4  1  0  0  0  0
 13 19  1  0  0  0  0
 11 12  2  0  0  0  0
M  END
>  <Mol_ID> (651)
651

>  <Formula> (651)
C17H22N2O2

>  <MolWeight> (651)
286.36878

>  <COMPOUND_NAME> (651)
WAY-299461

>  <BAR_CODE_NO> (651)
3901259

$$$$
WAY-299487
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
    0.5034    0.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5034    0.8655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1034    0.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0379   -0.0690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0379    1.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1034    1.0448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4621    0.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3034   -0.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5793    0.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5793    0.8655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0379    1.8103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9207   -0.7138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9034   -1.0345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1172   -0.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6034    1.8103    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6586    1.8103    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0379    2.4310    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.1207   -1.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6586    0.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1172   -0.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7207   -1.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1966   -0.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6586   -1.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9034   -2.0138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1966   -0.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7966    0.0966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5034   -2.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7690   -0.9034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1586   -0.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
 14 19  1  0  0  0  0
 14 20  2  0  0  0  0
 18 21  1  0  0  0  0
 19 22  2  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
 22 26  1  0  0  0  0
 24 27  1  0  0  0  0
 25 28  1  0  0  0  0
 26 29  1  0  0  0  0
  6  7  2  0  0  0  0
  9 10  1  0  0  0  0
 23 25  2  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (652)
652

>  <Formula> (652)
C18H15F3N4O4

>  <MolWeight> (652)
408.3313096

>  <COMPOUND_NAME> (652)
WAY-299487

>  <BAR_CODE_NO> (652)
3901285

$$$$
WAY-299490
csChFnd80/06171916322D

 17 18  0  0  0  0  0  0  0  0999 V2000
    2.9381   -1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8864   -0.1448    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6864   -2.4724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4933   -1.2000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.1968   -0.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0450   -2.1345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7933    0.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5105   -0.0241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6791    0.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4446    1.2655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3757   -1.2310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9239    1.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6722    0.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5895    2.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0826    0.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0170    2.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7653    1.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
  5  6  2  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (653)
653

>  <Formula> (653)
C10H10N4OS2

>  <MolWeight> (653)
266.3426

>  <COMPOUND_NAME> (653)
WAY-299490

>  <BAR_CODE_NO> (653)
3901292

$$$$
WAY-299491
csChFnd80/06171916322D

 17 19  0  0  0  0  0  0  0  0999 V2000
    1.6892   -1.6838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1479   -0.6528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6030   -1.5735    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3651   -2.5459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3134    0.0645    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2720   -0.5355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3789   -0.4631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4375   -2.4355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9237   -1.4011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6280   -0.0355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7383    1.0507    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7314    1.5576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0866    2.5507    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6314    0.8989    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1763    2.5507    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5142    1.4920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6245    1.1610    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  6  9  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
  5  7  2  0  0  0  0
  8  9  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <Mol_ID> (654)
654

>  <Formula> (654)
C10H9N5S2

>  <MolWeight> (654)
263.34196

>  <COMPOUND_NAME> (654)
WAY-299491

>  <BAR_CODE_NO> (654)
3901293

$$$$
WAY-299504-A
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -2.4793   -1.1931    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.4517   -0.6414    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.4793   -2.3793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4828   -0.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4517    0.5483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4655   -1.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4517   -2.9793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4828   -2.9793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5034   -1.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4655    1.1379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4655   -2.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5034   -2.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5552    0.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5690    1.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5828   -0.5517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5828    0.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5483    2.3586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5828    1.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5345    2.9586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5690    3.0310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5828    2.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (655)
655

>  <Formula> (655)
C18H25NO3

>  <MolWeight> (655)
303.396

>  <COMPOUND_NAME> (655)
WAY-299504-A

>  <BAR_CODE_NO> (655)
3901311

$$$$
WAY-299539
csChFnd80/06171916322D

 28 30  0  0  0  0  0  0  0  0999 V2000
   -0.2345    0.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0690    0.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0414   -0.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2414    1.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3069   -0.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5586    1.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6207   -0.9103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8310   -0.6552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0690    0.9828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0931   -0.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3862    0.9138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2448    1.7828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6103   -1.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5414    1.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4207    0.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8862    1.5759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3207   -2.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1138   -2.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3690    1.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1897    2.4172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2448    0.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3069   -2.9931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0448   -1.7621    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.1310   -2.9621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7207    0.8379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8448    2.2759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5793   -3.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5034    3.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  2  0  0  0  0
 11 16  1  0  0  0  0
 13 17  2  0  0  0  0
 13 18  1  0  0  0  0
 14 19  2  0  0  0  0
 14 20  1  0  0  0  0
 15 21  1  0  0  0  0
 17 22  1  0  0  0  0
 17 23  1  0  0  0  0
 18 24  2  0  0  0  0
 19 25  1  0  0  0  0
 19 26  1  0  0  0  0
 22 27  2  0  0  0  0
 26 28  1  0  0  0  0
  5  7  1  0  0  0  0
 21 25  2  0  0  0  0
 24 27  1  0  0  0  0
M  END
>  <Mol_ID> (656)
656

>  <Formula> (656)
C21H18FNO5

>  <MolWeight> (656)
383.3697232

>  <COMPOUND_NAME> (656)
WAY-299539

>  <BAR_CODE_NO> (656)
3901356

$$$$
WAY-299542
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -0.5004   -0.1060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5004    0.7802    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2418   -0.5440    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3307   -0.3578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3307    1.0319    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2418    1.2147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9900   -0.1060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8341    0.3181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9900    0.7802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2418    2.0836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7211   -0.5440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6962    0.3181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7211   -1.4164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4625   -0.1060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1272    1.0905    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1272   -0.4164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4625   -1.8474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2107   -0.5440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9962    1.0905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2107   -1.4164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4238    0.3629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2927    0.2802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1065   -0.4164    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.4789   -0.5336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7513   -0.9957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  6  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  1  0  0  0  0
 17 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
  5  8  2  0  0  0  0
  7  9  1  0  0  0  0
 18 20  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (657)
657

>  <Formula> (657)
C19H16N4OS

>  <MolWeight> (657)
348.42154

>  <COMPOUND_NAME> (657)
WAY-299542

>  <BAR_CODE_NO> (657)
3901359

$$$$
WAY-299548
csChFnd80/06171916322D

 21 22  0  0  0  0  0  0  0  0999 V2000
    1.0875   -1.3875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4375   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0625   -1.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7458   -1.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6375   -0.8042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2292   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3625   -1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4208   -1.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6833   -1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0625   -2.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000   -1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000   -1.4875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3625   -0.3167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4208   -2.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7458   -2.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7458   -0.3167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0958   -2.7667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5375    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4208    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0625   -3.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  8  1  0  0  0  0
  4  1  2  0  0  0  0
  5  3  2  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8 10  1  0  0  0  0
  9  5  1  0  0  0  0
 10 12  2  0  0  0  0
 11  3  1  0  0  0  0
 12 13  1  0  0  0  0
 13  4  1  0  0  0  0
 14  8  2  0  0  0  0
 15 16  1  0  0  0  0
 16 11  2  0  0  0  0
 17  5  1  0  0  0  0
 18 15  1  0  0  0  0
 19  7  1  0  0  0  0
 20 17  1  0  0  0  0
 21 18  1  0  0  0  0
  2  7  2  0  0  0  0
 15  9  2  0  0  0  0
M  END
>  <Mol_ID> (658)
658

>  <Formula> (658)
C15H16N2O4

>  <MolWeight> (658)
288.29854

>  <COMPOUND_NAME> (658)
WAY-299548

>  <BAR_CODE_NO> (658)
3901368

$$$$
WAY-321523
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -1.2125    0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9625   -0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1625   -0.5875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708    0.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292    0.7958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792    0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6333   -0.9000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0458    0.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2833   -0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1875   -0.1542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208    1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4375   -0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -1.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4875    1.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0375    1.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6000    0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0833   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5500    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6042   -0.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4000    0.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6458    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1042    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1542   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9042    0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  2  1  0  0  0  0
  8  1  1  0  0  0  0
  9  8  2  0  0  0  0
 10  6  1  0  0  0  0
 11  4  2  0  0  0  0
 12 13  1  0  0  0  0
 13 10  1  0  0  0  0
 14  5  1  0  0  0  0
 15 12  2  0  0  0  0
 16 12  1  0  0  0  0
 17 14  1  0  0  0  0
 18 17  2  0  0  0  0
 19  8  1  0  0  0  0
 20  9  1  0  0  0  0
 21 16  1  0  0  0  0
 22 16  2  0  0  0  0
 23 19  1  0  0  0  0
 24 23  1  0  0  0  0
 25 21  2  0  0  0  0
 26 22  1  0  0  0  0
 27 26  2  0  0  0  0
  9  7  1  0  0  0  0
  3  6  2  0  0  0  0
 24 20  1  0  0  0  0
 25 27  1  0  0  0  0
M  END
>  <Mol_ID> (659)
659

>  <Formula> (659)
C21H20N2O2S2

>  <MolWeight> (659)
396.5257

>  <COMPOUND_NAME> (659)
WAY-321523

>  <BAR_CODE_NO> (659)
2540219

$$$$
WAY-321676
csChFnd80/06171916322D

 30 34  0  0  0  0  0  0  0  0999 V2000
   -3.4000    1.4500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8833    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6833    0.9333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208    1.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000    0.4333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8625    1.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8625    0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3833    1.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3625    1.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2458   -0.1042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9208    1.7333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1208    1.9708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5000   -0.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8625    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2708    0.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3833    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3833    0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5458    0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6625   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3625    1.2958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0833   -0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3833    2.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3833    2.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4208   -0.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8625    2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2083   -1.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3625   -1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0458    0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4833   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0458   -1.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  9  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  2  0  0  0  0
  7 17  2  0  0  0  0
  8  2  1  0  0  0  0
  9  6  1  0  0  0  0
 10 19  1  0  0  0  0
 11  1  2  0  0  0  0
 12  1  2  0  0  0  0
 13 10  1  0  0  0  0
 14  2  2  0  0  0  0
 15  3  1  0  0  0  0
 16  3  1  0  0  0  0
 17 14  1  0  0  0  0
 18 15  1  0  0  0  0
 19 16  1  0  0  0  0
 20  4  2  0  0  0  0
 21 13  1  0  0  0  0
 22  8  1  0  0  0  0
 23 25  1  0  0  0  0
 24 21  1  0  0  0  0
 25 22  2  0  0  0  0
 26 13  2  0  0  0  0
 27 21  2  0  0  0  0
 28 24  1  0  0  0  0
 29 26  1  0  0  0  0
 30 29  2  0  0  0  0
 10 18  1  0  0  0  0
  7  6  1  0  0  0  0
  5  4  1  0  0  0  0
 23  9  2  0  0  0  0
 27 30  1  0  0  0  0
M  END
>  <Mol_ID> (660)
660

>  <Formula> (660)
C22H21N3O4S

>  <MolWeight> (660)
423.48484

>  <COMPOUND_NAME> (660)
WAY-321676

>  <BAR_CODE_NO> (660)
2540210

$$$$
WAY-322454
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    6.5167   -2.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0375   -2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500   -3.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0375   -3.4875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5292   -3.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5292   -1.9875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000   -1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8042   -3.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8042   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3542   -2.8167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7375   -0.7375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2542   -4.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1000   -1.1792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1000   -1.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1000   -3.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3542   -0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6667   -4.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3042   -6.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8875   -5.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5167   -7.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3667   -3.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3667   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  2  0  0  0  0
  7  5  2  0  0  0  0
  8  2  1  0  0  0  0
  9  6  1  0  0  0  0
 10  7  1  0  0  0  0
 11  1  1  0  0  0  0
 12  8  2  0  0  0  0
 13  4  1  0  0  0  0
 14  8  1  0  0  0  0
 15 10  2  0  0  0  0
 16  9  2  0  0  0  0
 17 14  1  0  0  0  0
 18 13  1  0  0  0  0
 19 20  1  0  0  0  0
 20 18  1  0  0  0  0
 21 19  1  0  0  0  0
 22 16  1  0  0  0  0
 23 15  1  0  0  0  0
  3  5  1  0  0  0  0
  9 10  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (661)
661

>  <Formula> (661)
C17H20N4O2

>  <MolWeight> (661)
312.3663

>  <COMPOUND_NAME> (661)
WAY-322454

>  <BAR_CODE_NO> (661)
2540406

$$$$
WAY-322476
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.4287    0.7356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1503   -0.0354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4287   -0.2184    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7707    0.2736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1503    0.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6723   -0.3354    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6723    0.8556    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6357    1.3146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8457    1.8786    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1913   -0.0354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1913    0.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3677    0.2886    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6207   -0.8004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7133   -0.3354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7133    0.8556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2177   -0.9024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9917   -1.5714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4127   -1.4694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1987   -2.1384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2323    0.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2323   -0.0354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  2  0  0  0  0
  5  1  1  0  0  0  0
  6  2  2  0  0  0  0
  5  7  2  0  0  0  0
  8  1  1  0  0  0  0
  9  8  3  0  0  0  0
 10 11  1  0  0  0  0
 11  7  1  0  0  0  0
 12  4  1  0  0  0  0
 13  3  1  0  0  0  0
 14 10  2  0  0  0  0
 11 15  2  0  0  0  0
 16 13  1  0  0  0  0
 17 18  1  0  0  0  0
 18 16  1  0  0  0  0
 19 17  1  0  0  0  0
 20 15  1  0  0  0  0
 20 21  2  0  0  0  0
  3  2  1  0  0  0  0
 10  6  1  0  0  0  0
 14 21  1  0  0  0  0
M  END
>  <Mol_ID> (662)
662

>  <Formula> (662)
C16H17N5

>  <MolWeight> (662)
279.33968

>  <COMPOUND_NAME> (662)
WAY-322476

>  <BAR_CODE_NO> (662)
2540066

$$$$
WAY-325090
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -0.8420    0.8304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3420    0.3263    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9705   -0.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4038    0.1679    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9753    0.6346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1545    0.8221    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3705   -0.9612    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1878    1.4429    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8753    1.2971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0663   -0.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0372   -0.7737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1872    0.2263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2413   -0.3737    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5753    0.2804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1670   -0.3737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5753   -0.4196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1795    0.6346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8830    0.2263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7795    0.2888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1712   -0.7737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7795   -0.4196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6872    0.2554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247   -1.1529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4003   -0.7737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2872   -0.0987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2455   -0.8404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3 13  1  0  0  0  0
  4  3  2  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  1  1  0  0  0  0
  9  8  1  0  0  0  0
 10  4  1  0  0  0  0
 11  7  1  0  0  0  0
 12  6  1  0  0  0  0
 13 18  1  0  0  0  0
 14  5  1  0  0  0  0
 15 12  2  0  0  0  0
 16 14  2  0  0  0  0
 17 14  1  0  0  0  0
 18 12  1  0  0  0  0
 19 17  2  0  0  0  0
 20 16  1  0  0  0  0
 21 20  2  0  0  0  0
 22 10  1  0  0  0  0
 23 11  1  0  0  0  0
 24 21  1  0  0  0  0
 25 22  2  0  0  0  0
 26 23  2  0  0  0  0
  9  5  2  0  0  0  0
 21 19  1  0  0  0  0
 11 10  2  0  0  0  0
 26 25  1  0  0  0  0
M  END
>  <Mol_ID> (663)
663

>  <Formula> (663)
C19H15N3O2S2

>  <MolWeight> (663)
381.4713

>  <COMPOUND_NAME> (663)
WAY-325090

>  <BAR_CODE_NO> (663)
2540217

$$$$
WAY-382509
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
    1.9875   -0.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8042   -1.0542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4875   -1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5875   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8500   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7542   -0.8292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1875   -0.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9542   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1500   -1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6375   -2.1167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3875    0.3708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2875   -0.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458   -1.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8000    0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0500   -1.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8500   -1.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1958   -1.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5708   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542    1.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292    0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3667   -1.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1667   -2.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8708   -1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2458    0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9292   -2.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8958   -0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  1  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  2  1  0  0  0  0
 10  3  2  0  0  0  0
 11  8  2  0  0  0  0
 12  8  1  0  0  0  0
 13  9  1  0  0  0  0
 14  4  1  0  0  0  0
 15  5  1  0  0  0  0
 16 12  1  0  0  0  0
 17 12  2  0  0  0  0
 18 13  1  0  0  0  0
 19 13  2  0  0  0  0
 20 14  2  0  0  0  0
 21 20  1  0  0  0  0
 22 16  2  0  0  0  0
 23 17  1  0  0  0  0
 24 18  2  0  0  0  0
 25 19  1  0  0  0  0
 26 23  2  0  0  0  0
 27 25  2  0  0  0  0
  5  2  1  0  0  0  0
 21 15  2  0  0  0  0
 22 26  1  0  0  0  0
 24 27  1  0  0  0  0
M  END
>  <Mol_ID> (664)
664

>  <Formula> (664)
C22H17N3O2

>  <MolWeight> (664)
355.38928

>  <COMPOUND_NAME> (664)
WAY-382509

>  <BAR_CODE_NO> (664)
2540002

$$$$
WAY-382520
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -3.0595   -0.7118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0595    0.0882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2975   -0.9497    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7526   -1.1325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2975    0.3606    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7526    0.5089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8043   -0.3118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4457   -0.7118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4457    0.0882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0388   -0.2739    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6940    0.4158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1267    0.4710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1492    1.0916    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5991   -0.2394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4715    1.1641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4025   -0.1290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2750    1.1985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7129    0.5813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5129    0.6710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0060    0.0537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8784    1.4192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8060    0.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6405   -0.7118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2439   -0.4773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1508   -1.3497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9715   -1.2394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  6  9  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 20 23  2  0  0  0  0
 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
  5  7  1  0  0  0  0
  8  9  1  0  0  0  0
 17 18  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <Mol_ID> (665)
665

>  <Formula> (665)
C21H14N2O2S

>  <MolWeight> (665)
358.41306

>  <COMPOUND_NAME> (665)
WAY-382520

>  <BAR_CODE_NO> (665)
2540018

$$$$
WAY-382523
csChFnd80/06171916322D

 33 37  0  0  0  0  0  0  0  0999 V2000
   -0.9125    0.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9125    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333   -0.3167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.5958    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2708    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2708    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1292   -0.3375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958   -1.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333    1.2833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2125   -1.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4875    0.8625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8292    0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4875   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9500    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9500   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1875    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667   -1.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8667   -0.4167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6333    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2708    2.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5292    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8500    0.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9500    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6333    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2292    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1375   -1.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792   -2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1875   -2.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8292   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8542   -2.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8  6  1  0  0  0  0
  9  7  1  0  0  0  0
 10  3  2  0  0  0  0
 11  2  2  0  0  0  0
 12  4  1  0  0  0  0
 13  7  2  0  0  0  0
 14  9  1  0  0  0  0
 15 14  1  0  0  0  0
 16  8  2  0  0  0  0
 17  6  2  0  0  0  0
 18  5  2  0  0  0  0
 19 15  2  0  0  0  0
 20 12  1  0  0  0  0
 21 19  1  0  0  0  0
 22 17  1  0  0  0  0
 23 18  1  0  0  0  0
 24 25  1  0  0  0  0
 25 14  2  0  0  0  0
 26 16  1  0  0  0  0
 27 22  2  0  0  0  0
 28 24  2  0  0  0  0
 29 20  2  0  0  0  0
 30 20  1  0  0  0  0
 31 30  2  0  0  0  0
 32 29  1  0  0  0  0
 33 31  1  0  0  0  0
  5  8  1  0  0  0  0
 16 27  1  0  0  0  0
 23 26  2  0  0  0  0
 32 33  2  0  0  0  0
 19 28  1  0  0  0  0
M  END
>  <Mol_ID> (666)
666

>  <Formula> (666)
C27H20N2O4

>  <MolWeight> (666)
436.4587

>  <COMPOUND_NAME> (666)
WAY-382523

>  <BAR_CODE_NO> (666)
2540021

$$$$
WAY-382537
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -2.6685    0.2061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6685    0.9785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3341   -0.1698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9479   -0.0077    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9479    1.2199    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3341    1.3785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0030    0.2061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3341   -0.9422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5203    0.6061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0030    0.9785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6685   -1.3319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7444    0.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6685   -2.1043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3444   -0.0353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4280   -0.0353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7444   -0.7043    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7901    0.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7901   -0.7043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5625    0.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5625   -0.7043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9384   -0.0353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7246   -0.0353    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4866   -0.0353    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7246   -0.8112    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7246    0.7371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0177    0.5233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8866   -0.7043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6866    0.1785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6073   -0.5422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  6 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 22 25  2  0  0  0  0
 23 26  1  0  0  0  0
 23 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
  5  9  1  0  0  0  0
  7 10  2  0  0  0  0
 20 21  2  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (667)
667

>  <Formula> (667)
C20H21N3O4S2

>  <MolWeight> (667)
431.52844

>  <COMPOUND_NAME> (667)
WAY-382537

>  <BAR_CODE_NO> (667)
2540034

$$$$
WAY-382557-A
csChFnd80/06171916322D

 19 20  0  0  0  0  0  0  0  0999 V2000
    3.0667   -3.5417    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.7667   -2.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6667   -3.3000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.3042   -3.0292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542   -3.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8750   -4.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8417   -4.2250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9542   -2.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4125   -2.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0292   -2.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6792   -2.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1292   -3.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8542   -4.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542   -4.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0500   -3.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6042   -2.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0417   -5.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7875   -3.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542   -3.1042    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  9  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8 10  1  0  0  0  0
  9  3  1  0  0  0  0
 10  4  1  0  0  0  0
 11  8  2  0  0  0  0
 12  8  1  0  0  0  0
 13  6  1  0  0  0  0
 14  5  1  0  0  0  0
 15 12  2  0  0  0  0
 16 11  1  0  0  0  0
 17 13  1  0  0  0  0
 18 15  1  0  0  0  0
 19  1  1  0  0  0  0
 14 17  1  0  0  0  0
 16 18  2  0  0  0  0
M  END
>  <Mol_ID> (668)
668

>  <Formula> (668)
C15H24NO2+

>  <MolWeight> (668)
250.35656

>  <COMPOUND_NAME> (668)
WAY-382557-A

>  <BAR_CODE_NO> (668)
2540054

$$$$
WAY-382562
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
    0.3112    0.0320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4440    0.2734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7733    0.6665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5560   -0.7473    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4440    1.0803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1267   -0.1404    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3112    1.3217    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5802    0.6665    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2233   -1.0163    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3353   -0.5059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1267    1.4699    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8336    0.2734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5560    2.1010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2629   -2.1611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6043   -1.7232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8336    1.0803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5405   -0.1404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3353    2.2734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5077   -2.9163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8457   -2.4783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5405    1.4699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2233    0.2734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5802    3.0527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2871   -3.0887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2233    1.0803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3595    3.2251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5284   -3.8680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  4 11  2  0  0  0  0
  5 12  2  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  9 15  1  0  0  0  0
  9 16  2  0  0  0  0
 12 17  1  0  0  0  0
 13 18  1  0  0  0  0
 14 19  1  0  0  0  0
 15 20  2  0  0  0  0
 16 21  1  0  0  0  0
 17 22  1  0  0  0  0
 18 23  2  0  0  0  0
 19 24  1  0  0  0  0
 20 25  1  0  0  0  0
 22 26  2  0  0  0  0
 24 27  1  0  0  0  0
 25 28  1  0  0  0  0
  5  7  1  0  0  0  0
 13 17  2  0  0  0  0
 21 25  2  0  0  0  0
 23 26  1  0  0  0  0
M  END
>  <Mol_ID> (669)
669

>  <Formula> (669)
C20H20N4O3S

>  <MolWeight> (669)
396.4628

>  <COMPOUND_NAME> (669)
WAY-382562

>  <BAR_CODE_NO> (669)
2540062

$$$$
WAY-382571
csChFnd80/06171916322D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -0.2868   -1.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1661   -0.2300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2489   -1.6887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5615   -1.8852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8201    0.2010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0144    0.4010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0972   -1.0576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3661   -2.7093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4408   -2.9266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9546    1.2665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9765   -0.0128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5213   -3.3404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7994    1.8769    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0925    1.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4684    2.8596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4408    2.8803    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0994    3.7217    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  8 12  2  0  0  0  0
 10 13  1  0  0  0  0
 10 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <Mol_ID> (670)
670

>  <Formula> (670)
C14H12N2S

>  <MolWeight> (670)
240.32348

>  <COMPOUND_NAME> (670)
WAY-382571

>  <BAR_CODE_NO> (670)
2540071

$$$$
WAY-382598
csChFnd80/06171916322D

 32 36  0  0  0  0  0  0  0  0999 V2000
   -0.4208   -2.2292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208   -2.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208   -2.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708   -2.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708   -3.1167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7125   -3.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3500   -2.9500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958    0.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4708   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3833   -1.7667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958    1.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0125    1.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8125    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0500    0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1000    0.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0708   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333   -1.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2458    2.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3125    1.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2000   -2.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1333   -2.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1333   -2.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7333   -2.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6000   -1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1958   -2.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6000   -1.7042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4625   -1.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1458   -1.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  9  1  0  0  0  0
  7  4  2  0  0  0  0
  8  2  2  0  0  0  0
  9 10  1  0  0  0  0
 10 31  1  0  0  0  0
 11  3  2  0  0  0  0
 12 16  1  0  0  0  0
 13 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15  6  1  0  0  0  0
 16  6  1  0  0  0  0
 17  6  1  0  0  0  0
 18 10  2  0  0  0  0
 19  1  1  0  0  0  0
 20 12  1  0  0  0  0
 21 14  1  0  0  0  0
 22 14  1  0  0  0  0
 23  7  1  0  0  0  0
 24 28  2  0  0  0  0
 25 23  1  0  0  0  0
 26 23  2  0  0  0  0
 27 25  2  0  0  0  0
 28 26  1  0  0  0  0
 29 24  1  0  0  0  0
 30 19  1  0  0  0  0
 31 30  1  0  0  0  0
 32 29  1  0  0  0  0
  5  4  1  0  0  0  0
 27 24  1  0  0  0  0
 12 22  1  0  0  0  0
 13 21  1  0  0  0  0
 20 13  1  0  0  0  0
M  END
>  <Mol_ID> (671)
671

>  <Formula> (671)
C25H30N2O3S2

>  <MolWeight> (671)
470.6473

>  <COMPOUND_NAME> (671)
WAY-382598

>  <BAR_CODE_NO> (671)
2540099

$$$$
WAY-382603-A
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
    3.1250   -2.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9250   -1.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3042   -2.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6500   -2.1375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0917   -1.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2167   -1.2250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5750   -3.4667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.4167   -2.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5667   -0.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792   -1.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3667   -3.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8417   -3.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3917   -4.1167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1292   -2.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4375   -1.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0188   -0.7509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8105    0.0419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042   -2.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1250   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1292   -1.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8417   -2.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2125   -2.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083   -1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5625   -2.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8417   -0.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5625   -1.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -2.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  2  2  0  0  0  0
  7  1  1  0  0  0  0
  8  4  1  0  0  0  0
  9  6  1  0  0  0  0
 10  5  1  0  0  0  0
 11  7  1  0  0  0  0
 12  3  1  0  0  0  0
 13 12  3  0  0  0  0
 14  8  1  0  0  0  0
 15  4  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18  5  1  0  0  0  0
 19 10  1  0  0  0  0
 20 14  1  0  0  0  0
 21 14  2  0  0  0  0
 22 18  1  0  0  0  0
 23 19  1  0  0  0  0
 24 21  1  0  0  0  0
 25 20  2  0  0  0  0
 26 24  2  0  0  0  0
 27 22  1  0  0  0  0
  8 11  2  0  0  0  0
 10  9  2  0  0  0  0
 26 25  1  0  0  0  0
 27 23  1  0  0  0  0
M  END
>  <Mol_ID> (672)
672

>  <Formula> (672)
C21H21N5S

>  <MolWeight> (672)
375.48994

>  <COMPOUND_NAME> (672)
WAY-382603-A

>  <BAR_CODE_NO> (672)
2540106

$$$$
WAY-382617
csChFnd80/06171916322D

 16 18  0  0  0  0  0  0  0  0999 V2000
    2.2542   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7625   -1.9417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0792   -1.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7625   -0.5917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4917   -1.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9750   -0.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3125   -1.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9750   -1.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0250   -1.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0167   -2.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542   -0.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0792   -2.6917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542   -2.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583   -0.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583   -1.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708   -0.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  7  5  1  0  0  0  0
  8  2  1  0  0  0  0
  9  7  1  0  0  0  0
 10  7  1  0  0  0  0
 11  6  2  0  0  0  0
 12  5  2  0  0  0  0
 13  8  2  0  0  0  0
 14 11  1  0  0  0  0
 15 13  1  0  0  0  0
 16 14  1  0  0  0  0
  6  8  1  0  0  0  0
 10  9  1  0  0  0  0
 14 15  2  0  0  0  0
M  END
>  <Mol_ID> (673)
673

>  <Formula> (673)
C12H12N2OS

>  <MolWeight> (673)
232.30148

>  <COMPOUND_NAME> (673)
WAY-382617

>  <BAR_CODE_NO> (673)
2540125

$$$$
WAY-382620
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -1.1448    0.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3310    0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4483    1.0654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6586   -0.3380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2690    0.7413    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0172   -0.5587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2690    1.1896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4828   -0.2139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3586   -1.1139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9897    0.3482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8448   -0.4518    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7828    0.5482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5690    1.9620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7448    0.6999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5931    0.6723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3828    2.0861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4276    0.2171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8966    1.4413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3517   -0.6104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1759    0.5654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0276   -1.0829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6034   -0.9587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9517   -1.9104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7828   -0.7346    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.5276   -1.7829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2034   -2.2587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  2  0  0  0  0
 10 14  1  0  0  0  0
 12 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  2  0  0  0  0
 19 21  1  0  0  0  0
 19 22  2  0  0  0  0
 21 23  2  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
 23 26  1  0  0  0  0
  8 12  1  0  0  0  0
 10 11  1  0  0  0  0
 16 18  2  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <Mol_ID> (674)
674

>  <Formula> (674)
C19H11ClN2O3S

>  <MolWeight> (674)
382.82024

>  <COMPOUND_NAME> (674)
WAY-382620

>  <BAR_CODE_NO> (674)
2540123

$$$$
WAY-382624-A
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
   16.2167    1.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5500    1.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.8792    1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9792    2.6125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   17.0000    1.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.1500    2.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1000    1.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5500    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9042    0.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5000    2.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5167    1.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7042    1.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1167    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6042    2.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1500    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7500    0.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.4000    1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9167    0.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5500    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  3  1  0  0  0  0
  8 18  1  0  0  0  0
  9  7  2  0  0  0  0
 10  7  1  0  0  0  0
 11 12  1  0  0  0  0
 12 10  2  0  0  0  0
 13  9  1  0  0  0  0
 14  5  1  0  0  0  0
 15  5  1  0  0  0  0
 16 11  1  0  0  0  0
 17 14  1  0  0  0  0
 18 15  1  0  0  0  0
 19 16  1  0  0  0  0
  6  3  2  0  0  0  0
  8 17  1  0  0  0  0
 13 11  2  0  0  0  0
M  END
>  <Mol_ID> (675)
675

>  <Formula> (675)
C14H16N2O2S

>  <MolWeight> (675)
276.35404

>  <COMPOUND_NAME> (675)
WAY-382624-A

>  <BAR_CODE_NO> (675)
2540133

$$$$
WAY-382631
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -2.5500    2.7208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2708    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8958    1.5208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3333    2.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5500    1.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5125    1.8625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    1.4625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3333    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8333    3.3333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9500    2.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000    1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958    2.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333    0.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667    1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5500    0.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9708   -0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3125    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9958    0.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5333    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2208   -0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1708   -1.2667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167    1.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7500    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    1.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3000    0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  2  1  0  0  0  0
  7 13  1  0  0  0  0
  8  5  2  0  0  0  0
  9  4  2  0  0  0  0
 10  6  1  0  0  0  0
 11  6  1  0  0  0  0
 12 10  1  0  0  0  0
 13 11  1  0  0  0  0
 14  7  1  0  0  0  0
 15  8  1  0  0  0  0
 16 20  2  0  0  0  0
 17 15  1  0  0  0  0
 18 15  2  0  0  0  0
 19 17  2  0  0  0  0
 20 18  1  0  0  0  0
 21 16  1  0  0  0  0
 22 14  2  0  0  0  0
 23 14  1  0  0  0  0
 24 23  2  0  0  0  0
 25 22  1  0  0  0  0
 26 24  1  0  0  0  0
  3  5  1  0  0  0  0
  7 12  1  0  0  0  0
 16 19  1  0  0  0  0
 26 25  2  0  0  0  0
M  END
>  <Mol_ID> (676)
676

>  <Formula> (676)
C20H19N3O2S

>  <MolWeight> (676)
365.44876

>  <COMPOUND_NAME> (676)
WAY-382631

>  <BAR_CODE_NO> (676)
2540140

$$$$
WAY-382635
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -1.6999    0.4204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3654    0.9066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240    0.7066    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6620   -0.4037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2792    1.7342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1240    0.5756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4102    0.0618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8654   -0.6244    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9482    2.2204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7861    1.0618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4139    0.0963    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6999    1.8825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8518   -0.6003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3723    2.3825    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6760   -0.5658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4656   -1.3313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1139   -1.2624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9380   -1.2313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3760   -1.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3346   -0.5037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2104   -1.9175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1656   -0.4796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5898   -1.1865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  9 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
  7  8  1  0  0  0  0
 10 12  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (677)
677

>  <Formula> (677)
C17H13FN2O2S

>  <MolWeight> (677)
328.3607232

>  <COMPOUND_NAME> (677)
WAY-382635

>  <BAR_CODE_NO> (677)
2540146

$$$$
WAY-382636
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
    5.2667   -2.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8292   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0792   -1.0417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5500   -1.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5500   -1.1167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5250   -0.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500    0.1208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.9792   -1.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2667   -3.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9417    0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7042   -0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9792   -3.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5500   -1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7000   -2.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7000   -3.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8292   -2.3667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542   -0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    0.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3917    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5542   -3.6125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167   -2.1167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7708   -0.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4167   -1.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4167   -3.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8292   -3.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083   -2.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2583   -0.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1375   -3.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1375   -2.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8  1  1  0  0  0  0
  9  1  2  0  0  0  0
 10  7  1  0  0  0  0
 11  6  1  0  0  0  0
 12  9  1  0  0  0  0
 13 11  1  0  0  0  0
 14 13  2  0  0  0  0
 15  8  2  0  0  0  0
 16 12  2  0  0  0  0
 17  4  2  0  0  0  0
 18 20  2  0  0  0  0
 19 11  2  0  0  0  0
 20 19  1  0  0  0  0
 21  9  1  0  0  0  0
 22 14  1  0  0  0  0
 23 18  1  0  0  0  0
 24 15  1  0  0  0  0
 25 16  1  0  0  0  0
 26 21  1  0  0  0  0
 27 22  1  0  0  0  0
 28 23  1  0  0  0  0
 29 25  2  0  0  0  0
 30 24  2  0  0  0  0
 16 15  1  0  0  0  0
 29 30  1  0  0  0  0
 10  6  2  0  0  0  0
 14 18  1  0  0  0  0
M  END
>  <Mol_ID> (678)
678

>  <Formula> (678)
C23H20N2O4S

>  <MolWeight> (678)
420.4809

>  <COMPOUND_NAME> (678)
WAY-382636

>  <BAR_CODE_NO> (678)
2540144

$$$$
WAY-382640
csChFnd80/06171916322D

 29 31  0  0  0  0  0  0  0  0999 V2000
    3.1917   -2.3542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.1917   -1.5250    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.9000   -2.7625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6167   -1.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6167   -2.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9042   -1.1042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.9792   -3.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750   -1.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9042   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667   -1.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3417   -1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0542   -0.6917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6792   -2.3417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4667   -2.7667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4667   -0.2917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6167    0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042   -1.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3417   -2.7667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8750   -2.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542   -1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7750   -3.8750    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.1875   -3.4917    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.4750   -3.8417    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.3292   -0.2792    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.1917    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6167    0.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3375   -3.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1917    0.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9042    1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  5  2  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  6  1  0  0  0  0
 10  8  1  0  0  0  0
 11  4  1  0  0  0  0
 12 11  3  0  0  0  0
 13 10  1  0  0  0  0
 14  1  1  0  0  0  0
 15  8  2  0  0  0  0
 16  9  2  0  0  0  0
 17 10  2  0  0  0  0
 18  5  1  0  0  0  0
 19 13  1  0  0  0  0
 20 17  1  0  0  0  0
 21  7  1  0  0  0  0
 22  7  1  0  0  0  0
 23  7  1  0  0  0  0
 24 16  1  0  0  0  0
 25  9  1  0  0  0  0
 26 16  1  0  0  0  0
 27 18  1  0  0  0  0
 28 25  2  0  0  0  0
 29 28  1  0  0  0  0
  4  6  1  0  0  0  0
 19 20  2  0  0  0  0
 29 26  2  0  0  0  0
M  END
>  <Mol_ID> (679)
679

>  <Formula> (679)
C19H14ClF3N2O2S2

>  <MolWeight> (679)
458.9048696

>  <COMPOUND_NAME> (679)
WAY-382640

>  <BAR_CODE_NO> (679)
2540151

$$$$
WAY-382659
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -1.1629   -0.8881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4796    0.1619    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5379    0.1619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1379   -1.2756    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0379   -1.5048    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9171   -0.8256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6871   -0.5756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7121   -0.9548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5496   -0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1671    1.0620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5204    0.4745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5704   -0.6423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7004    2.0452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2504    0.9453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4329    0.0452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7329   -1.7173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3296    2.9453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8879    1.8620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7496   -2.1173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4496   -0.3548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6204   -1.4255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4171    2.8453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7  4  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  3  1  0  0  0  0
 11  7  2  0  0  0  0
 12  9  1  0  0  0  0
 13 10  1  0  0  0  0
 14 10  2  0  0  0  0
 15 12  2  0  0  0  0
 16 12  1  0  0  0  0
 17 13  2  0  0  0  0
 18 14  1  0  0  0  0
 19 16  2  0  0  0  0
 20 15  1  0  0  0  0
 21 19  1  0  0  0  0
 22 18  2  0  0  0  0
  6  3  2  0  0  0  0
 17 22  1  0  0  0  0
 21 20  2  0  0  0  0
M  END
>  <Mol_ID> (680)
680

>  <Formula> (680)
C18H14N2OS

>  <MolWeight> (680)
306.38156

>  <COMPOUND_NAME> (680)
WAY-382659

>  <BAR_CODE_NO> (680)
2540170

$$$$
WAY-382667
csChFnd80/06171916322D

 17 19  0  0  0  0  0  0  0  0999 V2000
    0.5329   -0.5605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5329    0.7671    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6154   -1.2226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7915   -0.9708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7915    1.1740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5740    1.4947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6154   -2.5467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7637   -0.5605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5708    0.1016    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2570    2.4154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6947    2.8154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7637   -3.2122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5329   -3.2122    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.9120   -1.2226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5777    3.5533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2639    3.7326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9120   -2.5467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  2  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
 12 17  2  0  0  0  0
  5  9  2  0  0  0  0
 14 17  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (681)
681

>  <Formula> (681)
C13H14ClN3

>  <MolWeight> (681)
247.72336

>  <COMPOUND_NAME> (681)
WAY-382667

>  <BAR_CODE_NO> (681)
2540179

$$$$
WAY-382679
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -1.1500    0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9125   -0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958   -0.8292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333    0.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792    0.4458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8958    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5333   -1.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000   -0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1333   -0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5167    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9167    0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5542   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792   -0.4292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5792    0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5500    0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8333    1.3458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167    0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2125    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5333    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8167    1.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8500    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1958    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8500    0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5333    1.6000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.9167    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167   -1.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  1  1  0  0  0  0
  8 16  1  0  0  0  0
  9  2  1  0  0  0  0
 10 14  2  0  0  0  0
 11  7  2  0  0  0  0
 12 13  1  0  0  0  0
 13  8  2  0  0  0  0
 14  8  1  0  0  0  0
 15  6  1  0  0  0  0
 16 15  1  0  0  0  0
 17  7  1  0  0  0  0
 18  4  2  0  0  0  0
 19  5  1  0  0  0  0
 20 19  1  0  0  0  0
 21 17  1  0  0  0  0
 22 17  2  0  0  0  0
 23 20  2  0  0  0  0
 24 25  2  0  0  0  0
 25 22  1  0  0  0  0
 26 21  2  0  0  0  0
 27 24  1  0  0  0  0
 28 13  1  0  0  0  0
 29 14  1  0  0  0  0
  9 11  1  0  0  0  0
  6  3  2  0  0  0  0
 24 26  1  0  0  0  0
 12 10  1  0  0  0  0
M  END
>  <Mol_ID> (682)
682

>  <Formula> (682)
C21H18FN3O2S2

>  <MolWeight> (682)
427.5149232

>  <COMPOUND_NAME> (682)
WAY-382679

>  <BAR_CODE_NO> (682)
2540188

$$$$
WAY-382719
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
    3.8625   -0.7917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5917   -1.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3792   -0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5917   -0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3792   -1.4625    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.6917   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8792   -1.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6375   -2.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1750   -0.0875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1792   -1.4167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.1542   -2.9042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6292    0.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1625   -1.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9625   -0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8750   -2.4542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4167   -2.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9667   -1.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6375   -3.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9250    0.1125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4167   -3.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4500   -1.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1625   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4500    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708   -1.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9875    0.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  6  2  0  0  0  0
 10  6  1  0  0  0  0
 11  8  1  0  0  0  0
 12  3  2  0  0  0  0
 13  7  1  0  0  0  0
 14  9  1  0  0  0  0
 15  7  2  0  0  0  0
 16  8  2  0  0  0  0
 17 10  1  0  0  0  0
 18 11  1  0  0  0  0
 19  4  1  0  0  0  0
 20 16  1  0  0  0  0
 21 13  1  0  0  0  0
 22 13  2  0  0  0  0
 23 22  1  0  0  0  0
 24 21  2  0  0  0  0
 25 23  2  0  0  0  0
 26 25  1  0  0  0  0
  2  4  2  0  0  0  0
 14 17  2  0  0  0  0
 20 18  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (683)
683

>  <Formula> (683)
C19H14N2O3S2

>  <MolWeight> (683)
382.45606

>  <COMPOUND_NAME> (683)
WAY-382719

>  <BAR_CODE_NO> (683)
2540246

$$$$
WAY-382723
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
    5.5125   -2.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1000   -3.8417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9292   -3.8417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8417   -3.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1875   -3.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5167   -1.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2417   -1.3167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0542   -2.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6542   -1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4125   -4.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9417   -1.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8042   -1.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6500   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3750   -1.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8875   -1.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4417   -3.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6542   -3.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1000   -1.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4792   -2.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0750   -5.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2292   -4.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3792   -2.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0792   -1.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7000   -2.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5625   -5.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0917   -2.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7917   -1.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7250   -5.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3875   -5.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8042   -2.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  4  1  0  0  0  0
  9 11  1  0  0  0  0
 10  3  1  0  0  0  0
 11  7  1  0  0  0  0
 12  6  2  0  0  0  0
 13  9  2  0  0  0  0
 14  9  1  0  0  0  0
 15  8  2  0  0  0  0
 16  8  1  0  0  0  0
 17 16  2  0  0  0  0
 18 15  1  0  0  0  0
 19 17  1  0  0  0  0
 20 10  2  0  0  0  0
 21 10  1  0  0  0  0
 22 14  2  0  0  0  0
 23 14  1  0  0  0  0
 24 19  1  0  0  0  0
 25 20  1  0  0  0  0
 26 22  1  0  0  0  0
 27 23  2  0  0  0  0
 28 21  2  0  0  0  0
 29 28  1  0  0  0  0
 30 27  1  0  0  0  0
  3  2  1  0  0  0  0
 19 18  2  0  0  0  0
 29 25  2  0  0  0  0
 30 26  2  0  0  0  0
M  END
>  <Mol_ID> (684)
684

>  <Formula> (684)
C25H21N3O2

>  <MolWeight> (684)
395.45314

>  <COMPOUND_NAME> (684)
WAY-382723

>  <BAR_CODE_NO> (684)
2540225

$$$$
WAY-112784
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    6.1160    4.9220    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1160    6.2775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7171    4.8790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9274    4.2120    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.9274    6.9876    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7171    6.3152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4071    4.2120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4906    4.2120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6497    4.9597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4071    6.9446    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9274    2.7919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4906    6.9876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5851    6.3582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2642    4.9220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2642    6.2775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8492    4.2496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2120    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7171    2.0549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1539    2.0549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0220    4.9597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2862    4.2926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7171    0.6778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1160    0.6348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9274    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  2  0  0  0  0
  7  1  1  0  0  0  0
  8  3  1  0  0  0  0
  9  7  1  0  0  0  0
 10  2  2  0  0  0  0
 11  4  1  0  0  0  0
 12  6  1  0  0  0  0
 13  9  2  0  0  0  0
 14  8  2  0  0  0  0
 15 14  1  0  0  0  0
 16  9  1  0  0  0  0
 17 14  1  0  0  0  0
 18 11  2  0  0  0  0
 19 11  1  0  0  0  0
 20 16  1  0  0  0  0
 21 20  1  0  0  0  0
 22 18  1  0  0  0  0
 23 19  2  0  0  0  0
 24 23  1  0  0  0  0
  5  6  1  0  0  0  0
 22 24  2  0  0  0  0
 15 12  2  0  0  0  0
M  END
>  <Mol_ID> (685)
685

>  <Formula> (685)
C18H17BrN2O3

>  <MolWeight> (685)
389.24318

>  <COMPOUND_NAME> (685)
WAY-112784

>  <BAR_CODE_NO> (685)
3903676

$$$$
WAY-113487
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
   10.3009    2.3962    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.6810    2.3962    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0992    3.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9151    2.3962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7511    2.3962    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3009    3.7881    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3009    0.9690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6781    3.6471    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8039    4.8392    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0730    2.3962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4589    2.3962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2455    1.1570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2455    3.6059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1136    2.3962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3447    1.1805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3682    3.6235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8183    3.6059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8183    1.1570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7542    3.6235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7542    1.1805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9320    4.8215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6872    2.3962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8014    1.1805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4933    4.8392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0966    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.1805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6872    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  5  1  0  0  0  0
  4  1  1  0  0  0  0
  5 14  1  0  0  0  0
  6  1  2  0  0  0  0
  7  1  2  0  0  0  0
  8  3  1  0  0  0  0
  9  3  2  0  0  0  0
 10  8  1  0  0  0  0
 11 19  1  0  0  0  0
 12  4  1  0  0  0  0
 13  4  2  0  0  0  0
 14 17  2  0  0  0  0
 15  2  1  0  0  0  0
 16  2  1  0  0  0  0
 17 13  1  0  0  0  0
 18 12  2  0  0  0  0
 19 16  1  0  0  0  0
 20 15  1  0  0  0  0
 21  8  1  0  0  0  0
 22 10  2  0  0  0  0
 23 10  1  0  0  0  0
 24 21  1  0  0  0  0
 25 23  2  0  0  0  0
 26 22  1  0  0  0  0
 27 25  1  0  0  0  0
 14 18  1  0  0  0  0
 11 20  1  0  0  0  0
 27 26  2  0  0  0  0
M  END
>  <Mol_ID> (686)
686

>  <Formula> (686)
C20H24N2O4S

>  <MolWeight> (686)
388.48056

>  <COMPOUND_NAME> (686)
WAY-113487

>  <BAR_CODE_NO> (686)
3902015

$$$$
WAY-114024
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -2.7500    1.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0125    0.7458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7500   -0.5167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0125   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4708    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4708   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708   -0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5500   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1875   -0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7500    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000    0.7333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1958    1.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3667   -0.1042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1958   -0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292   -1.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1875   -1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3667    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9125    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9125   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  6  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  2  0  0  0  0
  7  4  1  0  0  0  0
  8  7  2  0  0  0  0
  9 10  1  0  0  0  0
 10  8  1  0  0  0  0
 11  1  2  0  0  0  0
 12  9  2  0  0  0  0
 13  9  1  0  0  0  0
 14  5  1  0  0  0  0
 15 12  1  0  0  0  0
 16  6  1  0  0  0  0
 17 18  1  0  0  0  0
 18 10  2  0  0  0  0
 19 17  2  0  0  0  0
 20 15  1  0  0  0  0
 21 14  2  0  0  0  0
 22 21  1  0  0  0  0
  3  4  2  0  0  0  0
 16 22  2  0  0  0  0
 19 12  1  0  0  0  0
M  END
>  <Mol_ID> (687)
687

>  <Formula> (687)
C17H14N2O3

>  <MolWeight> (687)
294.30466

>  <COMPOUND_NAME> (687)
WAY-114024

>  <BAR_CODE_NO> (687)
3902168

$$$$
WAY-114863
csChFnd80/06171916322D

 14 14  0  0  0  0  0  0  0  0999 V2000
    3.7054    2.1896    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8516    1.4129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1266    3.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0166    2.2271    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5675    3.5229    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8143    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.2656    4.6599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3861    1.7265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3005    2.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4424    4.6271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8272    4.4213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6881    5.5114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0589    5.3149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  2  0  0  0  0
  7  3  2  0  0  0  0
  8  1  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11  5  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
  5  4  1  0  0  0  0
M  END
>  <Mol_ID> (688)
688

>  <Formula> (688)
C10H16N2OS

>  <MolWeight> (688)
212.31184

>  <COMPOUND_NAME> (688)
WAY-114863

>  <BAR_CODE_NO> (688)
3902853

$$$$
WAY-114953
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.7829   -0.5313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0725   -0.1175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7829   -1.3555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4967   -0.1175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0725    0.7066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6447   -0.5313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0725   -1.7693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4967   -1.7693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2104   -0.5313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6447    1.1204    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6447   -1.3555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3654   -0.1175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2104   -1.3555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4967   -2.5934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9346   -0.1175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6447    1.9445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3654    0.7066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3585    2.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0792    1.1204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0792    1.9445    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8033    2.3618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  6 12  1  0  0  0  0
  8 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  2  0  0  0  0
 10 16  1  0  0  0  0
 10 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
  7 11  1  0  0  0  0
  9 13  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (689)
689

>  <Formula> (689)
C16H20N2O3

>  <MolWeight> (689)
288.3416

>  <COMPOUND_NAME> (689)
WAY-114953

>  <BAR_CODE_NO> (689)
3902476

$$$$
WAY-114957
csChFnd80/06171916322D

 24 27  0  0  0  0  0  0  0  0999 V2000
    2.4370    4.2222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6484    3.5209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2327    6.2909    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6555    2.1182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8669    1.4169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4228    5.6109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8458    4.2436    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0783    3.5422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1139    2.1182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0211    4.2011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0211    5.6038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2327    3.5209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4370    1.4169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2327    7.7078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3039    4.2436    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2327    2.1182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0211    8.4091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4370    8.4091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2114   10.4921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.7765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4370    9.7765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8669    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2114   11.8947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4014   12.6174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  6  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10 12  1  0  0  0  0
 11 10  1  0  0  0  0
 12  1  1  0  0  0  0
 13 16  1  0  0  0  0
 14  3  1  0  0  0  0
 15  8  2  0  0  0  0
 16 12  2  0  0  0  0
 17 14  1  0  0  0  0
 18 14  2  0  0  0  0
 19 21  2  0  0  0  0
 20 17  2  0  0  0  0
 21 18  1  0  0  0  0
 22  5  1  0  0  0  0
 23 19  1  0  0  0  0
 24 23  1  0  0  0  0
 13  4  2  0  0  0  0
 11  3  1  0  0  0  0
  9  5  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (690)
690

>  <Formula> (690)
C19H17NO4

>  <MolWeight> (690)
323.34258

>  <COMPOUND_NAME> (690)
WAY-114957

>  <BAR_CODE_NO> (690)
3904035

$$$$
WAY-114961
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    0.9621   -0.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2483   -0.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9621   -1.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6828   -0.1690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2448    0.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4621   -0.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2483   -1.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6759   -1.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -0.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4655    1.0552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4621   -1.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1759   -0.1793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -1.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6759   -2.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1207   -0.1793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4759    1.8828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1862    0.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1793   -1.8310    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.1862    2.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9000    1.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9000    1.8828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6138    2.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6138    3.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  6 12  1  0  0  0  0
  8 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  2  0  0  0  0
 10 16  1  0  0  0  0
 10 17  1  0  0  0  0
 11 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
  7 11  1  0  0  0  0
  9 13  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (691)
691

>  <Formula> (691)
C17H21ClN2O3

>  <MolWeight> (691)
336.81324

>  <COMPOUND_NAME> (691)
WAY-114961

>  <BAR_CODE_NO> (691)
3902474

$$$$
WAY-115372-A
csChFnd80/06171916322D

 26 30  0  0  0  0  0  0  0  0999 V2000
    3.4518    0.2277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7829    0.6139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4518   -0.5516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0311    0.7587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1070    0.2277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9553    1.3932    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7829   -0.9413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7070    1.4415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1070   -0.5516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4415   -0.9378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7518   -0.5413    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7518    0.2346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0691   -0.9378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0691    0.6277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5792   -0.5413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5792    0.2346    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2585    0.6277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9447    0.2346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5930    0.6277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9447   -0.5413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2689    0.2346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5930   -0.9378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2689   -0.5413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9861    0.4622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9965   -0.7861    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4482   -0.1378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
 21 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
 15 16  1  0  0  0  0
 22 23  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (692)
692

>  <Formula> (692)
C20H22N2O4

>  <MolWeight> (692)
354.39968

>  <COMPOUND_NAME> (692)
WAY-115372-A

>  <BAR_CODE_NO> (692)
3902918

$$$$
WAY-117083
csChFnd80/06171916322D

 17 19  0  0  0  0  0  0  0  0999 V2000
    4.9245    2.1218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7049    2.7796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9656    3.1365    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3211    4.4156    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9245    0.6874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8669    4.1677    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4391    2.1218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7049    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4391    0.6874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0879    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8357    5.0898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2195    2.7796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2195    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5071    4.6535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4561    5.5922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  8  1  0  0  0  0
 10  5  2  0  0  0  0
 11  6  1  0  0  0  0
 12  7  1  0  0  0  0
 13  9  1  0  0  0  0
 14 11  1  0  0  0  0
 15 12  2  0  0  0  0
 16 13  2  0  0  0  0
 17 14  1  0  0  0  0
  6  4  1  0  0  0  0
  7  9  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (693)
693

>  <Formula> (693)
C12H11N3O2

>  <MolWeight> (693)
229.23464

>  <COMPOUND_NAME> (693)
WAY-117083

>  <BAR_CODE_NO> (693)
3902647

$$$$
WAY-118225
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    4.8587    6.3079    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0736    5.6189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8515    7.6931    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6654    5.5976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6582    8.3893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0523    8.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4647    6.3007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4436    7.6718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0523    4.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1603    6.1589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2882    7.7072    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2882    3.4949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8302    3.5162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0523    9.8030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2669    2.1027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8302    2.1027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0451    1.3993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2359    5.5976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2359    8.3893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0451    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0213    7.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8  7  2  0  0  0  0
  9  2  1  0  0  0  0
 10  2  2  0  0  0  0
 11  6  2  0  0  0  0
 12  9  1  0  0  0  0
 13  9  2  0  0  0  0
 14  6  1  0  0  0  0
 15 12  2  0  0  0  0
 16 13  1  0  0  0  0
 17 16  2  0  0  0  0
 18  7  1  0  0  0  0
 19  8  1  0  0  0  0
 20 17  1  0  0  0  0
 21 22  1  0  0  0  0
 22 18  2  0  0  0  0
  5  8  1  0  0  0  0
 19 21  2  0  0  0  0
 17 15  1  0  0  0  0
M  END
>  <Mol_ID> (694)
694

>  <Formula> (694)
C18H17NO3

>  <MolWeight> (694)
295.33248

>  <COMPOUND_NAME> (694)
WAY-118225

>  <BAR_CODE_NO> (694)
3902246

$$$$
WAY-119064
csChFnd80/06171916322D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -0.7213    0.0652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7213    0.9893    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5213   -0.3935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0684   -0.3935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2029    0.9893    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7247    1.9134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6420    0.9928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5213   -1.3176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0718   -1.3176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6649    1.7824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7213   -1.7797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3787    2.6548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5856    1.7790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4868   -2.6659    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1374    3.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8684    2.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4305   -2.9003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2201   -2.4314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4305   -3.8210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
  9 11  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (695)
695

>  <Formula> (695)
C13H18N2O3S

>  <MolWeight> (695)
282.35862

>  <COMPOUND_NAME> (695)
WAY-119064

>  <BAR_CODE_NO> (695)
3904052

$$$$
WAY-119075
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    8.4631    2.6796    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3223    6.8702    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6796    5.5380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1059    4.0790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0642    5.1805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7884    4.4362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6747    4.5478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1108    5.0392    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8254    2.3223    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.9973    7.2573    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.4661    3.8332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0689    6.1555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7835    3.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4312    5.7983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5031    1.7193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3197    7.8603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8227    3.3272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6401    8.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2197    1.0049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9923    9.1925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8603    0.3943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6077    9.5946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2150    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  5  1  0  0  0  0
  4  1  1  0  0  0  0
  5 12  2  0  0  0  0
  6  4  1  0  0  0  0
  7  3  2  0  0  0  0
  8  4  2  0  0  0  0
  9  1  1  0  0  0  0
 10  2  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13  6  1  0  0  0  0
 14  6  2  0  0  0  0
 15  1  1  0  0  0  0
 16  2  1  0  0  0  0
 17  9  1  0  0  0  0
 18 10  1  0  0  0  0
 19 10  1  0  0  0  0
 20  9  1  0  0  0  0
 21 16  1  0  0  0  0
 22 15  1  0  0  0  0
 23 21  1  0  0  0  0
 24 22  1  0  0  0  0
 24 20  1  0  0  0  0
 11  5  1  0  0  0  0
 23 19  1  0  0  0  0
M  END
>  <Mol_ID> (696)
696

>  <Formula> (696)
C20H28N2O2

>  <MolWeight> (696)
328.44852

>  <COMPOUND_NAME> (696)
WAY-119075

>  <BAR_CODE_NO> (696)
3901943

$$$$
WAY-119132
csChFnd80/06171916322D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -1.8188   -0.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7429   -0.5538    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4601   -1.2297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2464    0.6290    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3192    0.1324    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5326   -1.1055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3188    0.7566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4536   -0.6607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0778    1.7117    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1571   -1.5262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9636   -0.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2015   -1.9986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3916    0.0117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4985   -0.4883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2709    1.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4881    0.2186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2605    1.9324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3674    1.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
  6 12  1  0  0  0  0
  8 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
  7 11  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (697)
697

>  <Formula> (697)
C13H14N2O2S

>  <MolWeight> (697)
262.32746

>  <COMPOUND_NAME> (697)
WAY-119132

>  <BAR_CODE_NO> (697)
3901817

$$$$
WAY-119174
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
    0.2275    0.5279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4829    0.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9413    0.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2275   -0.2963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4829    1.7658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1967    0.5279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9413    1.7658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6516    0.5279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4829   -0.7100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9413   -0.7100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2275    2.1796    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1967    2.1796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9139    0.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6516    2.1796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3723    0.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4829   -1.5342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9139    1.7658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3723    1.7658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2001   -1.9445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2275   -1.9445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2001   -2.7790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208   -1.5307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2275   -2.7790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9482   -1.5307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4829   -3.1928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  2  0  0  0  0
  7 14  2  0  0  0  0
  8 15  1  0  0  0  0
  9 16  1  0  0  0  0
 12 17  2  0  0  0  0
 14 18  1  0  0  0  0
 16 19  2  0  0  0  0
 16 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  2  0  0  0  0
 20 24  1  0  0  0  0
 21 25  2  0  0  0  0
  7 11  1  0  0  0  0
 13 17  1  0  0  0  0
 15 18  2  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (698)
698

>  <Formula> (698)
C22H19NO2

>  <MolWeight> (698)
329.39176

>  <COMPOUND_NAME> (698)
WAY-119174

>  <BAR_CODE_NO> (698)
3902292

$$$$
WAY-119573
csChFnd80/06171916322D

 19 20  0  0  0  0  0  0  0  0999 V2000
    0.5450    0.3414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1239    0.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2071    0.8276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5519   -0.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1174    1.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9067    0.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9450    1.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9933    0.5828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1619   -0.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3688    2.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1550   -1.7276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1860    2.1793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0343    3.0276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8688   -2.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5554   -2.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6722    2.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8619   -2.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5692   -2.9552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1446   -3.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
 11 14  2  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  2  0  0  0  0
 17 19  2  0  0  0  0
  5  7  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (699)
699

>  <Formula> (699)
C15H17NO3

>  <MolWeight> (699)
259.30038

>  <COMPOUND_NAME> (699)
WAY-119573

>  <BAR_CODE_NO> (699)
3904130

$$$$
WAY-119910
csChFnd80/06171916322D

 28 30  0  0  0  0  0  0  0  0999 V2000
   -2.2137   -2.4691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1378   -1.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2137   -3.5242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3068   -1.9415    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0654   -2.4518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1378   -0.8656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1378   -4.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3068   -0.8656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0654   -3.5242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0654   -0.3346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1240   -5.1139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3861   -0.3346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2137   -0.3346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0240   -5.6587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3861    0.7378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5794    1.2861    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5001    0.7378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5794    2.3482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4070    1.2861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5001    2.8654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4070    2.3482    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3380    2.8896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2587    2.3620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3380    3.9447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1794    2.8896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2587    1.2861    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.2587    4.4689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1794    3.9447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
 24 27  2  0  0  0  0
 25 28  2  0  0  0  0
  7  9  1  0  0  0  0
 20 21  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (700)
700

>  <Formula> (700)
C21H26FN3O3

>  <MolWeight> (700)
387.4478432

>  <COMPOUND_NAME> (700)
WAY-119910

>  <BAR_CODE_NO> (700)
3903609

$$$$
WAY-119954
csChFnd80/06171916322D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -0.0243   -1.3659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0243   -0.5556    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7105   -1.7797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6757   -1.7659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0209    0.2962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7243   -2.5797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4726   -1.3004    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.6757   -2.5797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7588    0.7134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6895    0.7134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0243   -2.9866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7588    1.5444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0381    1.9479    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0381    2.7341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6895    1.6824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7032    2.9479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1619    2.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
  8 11  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (701)
701

>  <Formula> (701)
C13H17ClN2O

>  <MolWeight> (701)
252.73988

>  <COMPOUND_NAME> (701)
WAY-119954

>  <BAR_CODE_NO> (701)
3901754

$$$$
WAY-119960-A
csChFnd80/06171916322D

 20 21  0  0  0  0  0  0  0  0999 V2000
    1.0586   -0.3550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3276   -0.8343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5069   -0.3550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3276    0.1174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8759   -0.8343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0586   -1.3032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2379    0.1174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8759    0.1174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1483   -0.3550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3276   -1.7722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3138    0.1174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5069    0.5968    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5828    0.5968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1345    0.5968    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3724    1.0864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3724    0.0968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9034    1.2071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9034   -0.0239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3345    0.8657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3345    0.3174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
  8  9  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (702)
702

>  <Formula> (702)
C16H24N2O2

>  <MolWeight> (702)
276.37396

>  <COMPOUND_NAME> (702)
WAY-119960-A

>  <BAR_CODE_NO> (702)
3903918

$$$$
WAY-119975
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
    4.2185   -8.1715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1870   -5.0525    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7370   -3.5555    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8615   -7.3920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2105   -9.7390    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2710   -3.5555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5515   -7.3920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5495   -2.8385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8385   -5.8090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2105  -11.2825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4580   -5.8010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1870   -3.5870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7370   -5.0525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4580   -2.8385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2185  -14.3235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0080   -2.8070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8205   -3.5555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3040  -16.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.9320  -12.0700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5515  -12.0470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9005  -13.5675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5515  -13.5675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8205   -5.0525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0995   -2.8385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3705   -3.5555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0995   -5.8010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3705   -5.0525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  9  1  0  0  0  0
  3 14  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6 16  1  0  0  0  0
  7  1  2  0  0  0  0
  8  6  2  0  0  0  0
  9  4  1  0  0  0  0
 10  5  1  0  0  0  0
 11  2  1  0  0  0  0
 12  2  1  0  0  0  0
 13 11  1  0  0  0  0
 14 12  1  0  0  0  0
 15 22  1  0  0  0  0
 16  3  1  0  0  0  0
 17  8  1  0  0  0  0
 18 15  1  0  0  0  0
 19 10  2  0  0  0  0
 20 10  1  0  0  0  0
 21 19  1  0  0  0  0
 22 20  2  0  0  0  0
 23 17  2  0  0  0  0
 24 17  1  0  0  0  0
 25 24  2  0  0  0  0
 26 23  1  0  0  0  0
 27 25  1  0  0  0  0
 21 15  2  0  0  0  0
 13  3  1  0  0  0  0
 27 26  2  0  0  0  0
M  END
>  <Mol_ID> (703)
703

>  <Formula> (703)
C22H26FN3O

>  <MolWeight> (703)
367.4597432

>  <COMPOUND_NAME> (703)
WAY-119975

>  <BAR_CODE_NO> (703)
3903624

$$$$
WAY-119983-A
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
    4.6880  -10.8955    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7230   -9.0980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6620   -5.6255    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5010   -3.9585    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6880  -12.6055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1600   -8.2300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3225   -3.9585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2645  -13.4735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2245   -8.2300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7460   -3.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1600   -6.4680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0770   -6.4590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6620   -3.9935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5010   -5.6255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0770   -3.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9160   -3.1255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8060  -12.6055    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.1610   -3.9585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1815  -13.4475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2295  -15.1405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1610   -5.6255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5850   -3.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1815  -15.1665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6965  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -3.9585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5850   -6.4590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -5.6255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3 11  1  0  0  0  0
  4 15  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7 16  1  0  0  0  0
  8  5  2  0  0  0  0
  9  2  2  0  0  0  0
 10  7  2  0  0  0  0
 11  6  1  0  0  0  0
 12  3  1  0  0  0  0
 13  3  1  0  0  0  0
 14 12  1  0  0  0  0
 15 13  1  0  0  0  0
 16  4  1  0  0  0  0
 17  8  1  0  0  0  0
 18 10  1  0  0  0  0
 19  5  1  0  0  0  0
 20  8  1  0  0  0  0
 21 18  2  0  0  0  0
 22 18  1  0  0  0  0
 23 19  2  0  0  0  0
 24 23  1  0  0  0  0
 25 22  2  0  0  0  0
 26 21  1  0  0  0  0
 27 25  1  0  0  0  0
 24 20  2  0  0  0  0
 14  4  1  0  0  0  0
 27 26  2  0  0  0  0
M  END
>  <Mol_ID> (704)
704

>  <Formula> (704)
C22H26FN3O

>  <MolWeight> (704)
367.4597432

>  <COMPOUND_NAME> (704)
WAY-119983-A

>  <BAR_CODE_NO> (704)
3903986

$$$$
WAY-119998
csChFnd80/06171916322D

 18 19  0  0  0  0  0  0  0  0999 V2000
    4.7000   -9.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6740  -12.5790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6395   -5.5980    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6740  -10.8595    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1705   -8.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2205   -8.1985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1450   -6.4365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1770  -15.1445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2140  -15.1360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1770  -13.4340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2485  -13.4515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7000  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6395   -3.9740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1510   -6.1510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1750  -15.6630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3605  -15.5595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1770   -3.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1275   -4.8035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  7  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  2  0  0  0  0
  7  5  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10  2  1  0  0  0  0
 11  2  2  0  0  0  0
 12  9  2  0  0  0  0
 13  3  1  0  0  0  0
 14  3  1  0  0  0  0
 15  9  1  0  0  0  0
 16  8  1  0  0  0  0
 17 13  1  0  0  0  0
 18 14  1  0  0  0  0
 18 17  1  0  0  0  0
  8 12  1  0  0  0  0
M  END
>  <Mol_ID> (705)
705

>  <Formula> (705)
C15H22N2O

>  <MolWeight> (705)
246.34798

>  <COMPOUND_NAME> (705)
WAY-119998

>  <BAR_CODE_NO> (705)
3901704

$$$$
WAY-194754
csChFnd80/06171916322D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -0.0030   -0.1314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0030    0.6962    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7203   -0.5418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7073   -0.5418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6824    0.9824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7935    1.0272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7203   -1.3659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7073   -1.3659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8617    1.8065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0556    1.6996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0030   -1.7797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2720    2.4686    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6038    2.4099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0030   -2.6038    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.5996    3.2824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7142   -3.0211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7134   -3.0211    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
  8 11  2  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <Mol_ID> (706)
706

>  <Formula> (706)
C12H17N3O2

>  <MolWeight> (706)
235.28228

>  <COMPOUND_NAME> (706)
WAY-194754

>  <BAR_CODE_NO> (706)
3902303

$$$$
WAY-215245
csChFnd80/06171916322D

 26 30  0  0  0  0  0  0  0  0999 V2000
   -1.8625    0.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208    1.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458    1.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9375    1.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0167    1.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9500    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3125   -0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8958   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5458   -0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4500   -1.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8958   -1.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167    0.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167    2.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8625    2.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5542    2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9958   -1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458   -2.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7458   -1.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0167    3.2958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5542    0.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6375    2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9167    3.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6375    0.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1792    1.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4 15  1  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  1  1  0  0  0  0
  8  1  1  0  0  0  0
  9  6  1  0  0  0  0
 10  8  1  0  0  0  0
 11  7  1  0  0  0  0
 12  3  1  0  0  0  0
 13  3  1  0  0  0  0
 14  2  2  0  0  0  0
 15 13  1  0  0  0  0
 16 12  1  0  0  0  0
 17  5  1  0  0  0  0
 18 11  1  0  0  0  0
 19 10  1  0  0  0  0
 20 10  1  0  0  0  0
 21 17  1  0  0  0  0
 22  5  2  0  0  0  0
 23 17  2  0  0  0  0
 24 21  1  0  0  0  0
 25 22  1  0  0  0  0
 26 25  2  0  0  0  0
  9 20  1  0  0  0  0
 19 11  1  0  0  0  0
 18  9  1  0  0  0  0
 16  4  1  0  0  0  0
 26 23  1  0  0  0  0
M  END
>  <Mol_ID> (707)
707

>  <Formula> (707)
C22H30N2O2

>  <MolWeight> (707)
354.4858

>  <COMPOUND_NAME> (707)
WAY-215245

>  <BAR_CODE_NO> (707)
3903759

$$$$
WAY-215718
csChFnd80/06171916322D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -1.7757   -0.6584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5757   -0.2653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7757   -1.9170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8653   -0.0239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1826    0.9209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1657   -1.2860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5757   -2.3032    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8653   -2.5446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9550   -0.6584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0416    1.1830    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9550   -1.9170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4278    2.3830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8830    0.2485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6588    2.6450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1140    0.5105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5002    1.7105    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7347    1.9726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
  6  7  1  0  0  0  0
  9 11  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (708)
708

>  <Formula> (708)
C14H19N3

>  <MolWeight> (708)
229.32076

>  <COMPOUND_NAME> (708)
WAY-215718

>  <BAR_CODE_NO> (708)
3901739

$$$$
WAY-215857
csChFnd80/06171916322D

 16 18  0  0  0  0  0  0  0  0999 V2000
    2.4354    6.7914    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2220    6.1017    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4354    4.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6576    4.7399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6576    6.1017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4354    2.6711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2220    4.7399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8710    4.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6576    1.9465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8710    2.6711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6576    0.9427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2220    1.9465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7837    6.7653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8710    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  2  0  0  0  0
  6  3  2  0  0  0  0
  7  2  1  0  0  0  0
  8  4  2  0  0  0  0
  9 10  2  0  0  0  0
 10  8  1  0  0  0  0
 11  9  1  0  0  0  0
 12  6  1  0  0  0  0
 13 15  1  0  0  0  0
 14  5  1  0  0  0  0
 15  7  2  0  0  0  0
 16 11  1  0  0  0  0
  7  3  1  0  0  0  0
 13 12  2  0  0  0  0
  6  9  1  0  0  0  0
M  END
>  <Mol_ID> (709)
709

>  <Formula> (709)
C13H12N2O

>  <MolWeight> (709)
212.24718

>  <COMPOUND_NAME> (709)
WAY-215857

>  <BAR_CODE_NO> (709)
3903740

$$$$
WAY-217211-A
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
    9.5600   -4.3140    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8115   -4.3140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8690   -6.4505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6805   -7.7590    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.1100   -2.5235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4815   -6.4505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3300   -2.5235    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.7540   -7.1625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5970    1.0050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1255   -1.1415    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4395   -0.4190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -0.4190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2095    0.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7330    1.7170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0680   -5.6545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7695   -2.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2985   -4.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5395   -3.4660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9845   -6.3245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9060   -1.9790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0575    2.5130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  2  2  0  0  0  0
  7  5  1  0  0  0  0
  8  3  1  0  0  0  0
  9 10  1  0  0  0  0
 10 16  1  0  0  0  0
 11  5  2  0  0  0  0
 12  7  1  0  0  0  0
 13 11  1  0  0  0  0
 14  9  2  0  0  0  0
 15  8  1  0  0  0  0
 16 17  1  0  0  0  0
 17 19  2  0  0  0  0
 18 15  2  0  0  0  0
 19 15  1  0  0  0  0
 20 18  1  0  0  0  0
 21  9  1  0  0  0  0
  6  4  1  0  0  0  0
 13 12  2  0  0  0  0
 16 20  2  0  0  0  0
M  END
>  <Mol_ID> (710)
710

>  <Formula> (710)
C15H13N3OS2

>  <MolWeight> (710)
315.41322

>  <COMPOUND_NAME> (710)
WAY-217211-A

>  <BAR_CODE_NO> (710)
3903820

$$$$
WAY-217570
csChFnd80/06171916322D

 19 20  0  0  0  0  0  0  0  0999 V2000
    7.4235  -11.6170    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.9805  -11.7900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7920  -11.6170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9765  -10.1835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7920   -8.7580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9445  -10.5130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2635  -10.1835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4235   -8.7580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6375  -13.3225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4595  -16.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3020   -9.0465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6640  -13.2565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5560  -11.7650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4110  -10.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5265  -10.6610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2615  -14.3195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2575   -7.7200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3040  -13.4540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2680  -12.1195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  8  1  0  0  0  0
  6  2  2  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9  1  1  0  0  0  0
 10 16  1  0  0  0  0
 11  6  1  0  0  0  0
 12  2  1  0  0  0  0
 13  4  1  0  0  0  0
 14  4  1  0  0  0  0
 15  6  1  0  0  0  0
 16  9  1  0  0  0  0
 17 11  1  0  0  0  0
 18 12  2  0  0  0  0
 19 18  1  0  0  0  0
  5  4  1  0  0  0  0
 19 15  2  0  0  0  0
M  END
>  <Mol_ID> (711)
711

>  <Formula> (711)
C16H25NO2

>  <MolWeight> (711)
263.3752

>  <COMPOUND_NAME> (711)
WAY-217570

>  <BAR_CODE_NO> (711)
3902214

$$$$
WAY-217773
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.9869    1.2471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0283    1.2471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6662    0.2471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3662    2.0919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3490    0.2471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8662    1.8471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4869   -0.3529    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3338   -0.0702    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7869    3.0298    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6717    1.9471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3662    0.2471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7110    1.2298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5510   -1.0909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5510   -1.4081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2110   -1.7909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3131   -0.7322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7614   -2.4322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2890   -1.0322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0890    0.2919    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.7510   -2.7322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5131   -2.0322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  8 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
  5  7  1  0  0  0  0
 11 12  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (712)
712

>  <Formula> (712)
C15H12FNO3S

>  <MolWeight> (712)
305.3240832

>  <COMPOUND_NAME> (712)
WAY-217773

>  <BAR_CODE_NO> (712)
3901502

$$$$
WAY-219134
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -0.2067    0.6032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5726    0.3446    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2067    1.4170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9205    0.1929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8485   -0.4692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0554    1.0136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5726    1.6860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9205    1.8274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6481    0.6032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2795   -1.0830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8830    0.9895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8485    2.4653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6481    1.4170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5347   -1.8485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5136   -0.8933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0067   -2.4519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3623   -2.0278    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.0722   -1.4933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8136   -2.2933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  2  0  0  0  0
  8 13  2  0  0  0  0
 10 14  2  0  0  0  0
 10 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  2  0  0  0  0
  6  7  1  0  0  0  0
  9 13  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (713)
713

>  <Formula> (713)
C15H10ClNO2

>  <MolWeight> (713)
271.6984

>  <COMPOUND_NAME> (713)
WAY-219134

>  <BAR_CODE_NO> (713)
3903005

$$$$
WAY-222208
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    8.8900   -8.8560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8900  -10.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6590   -7.8580    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.6590  -11.9180    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6590   -5.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4280  -10.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1210   -7.8355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4280   -4.7740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4280   -8.8560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1970  -11.9180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1210   -5.7945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4280   -2.7330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3525   -8.8560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1210  -11.9180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8900   -4.7740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2310   -5.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8900   -2.7330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6590   -1.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2310   -1.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5835   -7.8355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -4.7740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -2.7330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  9  1  0  0  0  0
  7  1  1  0  0  0  0
  8  5  1  0  0  0  0
  9  3  1  0  0  0  0
 10  6  2  0  0  0  0
 11  7  2  0  0  0  0
 12  8  1  0  0  0  0
 13  7  1  0  0  0  0
 14  2  1  0  0  0  0
 15  5  2  0  0  0  0
 16  8  2  0  0  0  0
 17 15  1  0  0  0  0
 18 17  2  0  0  0  0
 19 12  2  0  0  0  0
 20 13  1  0  0  0  0
 21 16  1  0  0  0  0
 22 21  2  0  0  0  0
  6  4  1  0  0  0  0
 18 12  1  0  0  0  0
 19 22  1  0  0  0  0
M  END
>  <Mol_ID> (714)
714

>  <Formula> (714)
C18H17NO3

>  <MolWeight> (714)
295.33248

>  <COMPOUND_NAME> (714)
WAY-222208

>  <BAR_CODE_NO> (714)
3903473

$$$$
WAY-224404
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -1.7607   -1.7169    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0641   -1.3203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8710   -2.5065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4883   -1.3651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3745   -1.7169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0641   -0.5134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6779   -2.6479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2917   -3.0651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0538   -1.9479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6262   -0.5582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3152   -1.3203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3745   -0.1134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3152   -0.5134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0255   -0.0962    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7428    0.3314    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4497   -0.7996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6083    0.6211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7428    1.1452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0462    1.5452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4290    1.5452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0462    2.3556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4290    2.3556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7428    2.7590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7290    3.5694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0255    3.9728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  2  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
  7  9  1  0  0  0  0
 12 13  2  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (715)
715

>  <Formula> (715)
C17H16N2O5S

>  <MolWeight> (715)
360.38434

>  <COMPOUND_NAME> (715)
WAY-224404

>  <BAR_CODE_NO> (715)
3902425

$$$$
WAY-224513
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.0618   -0.5476    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5687   -1.2924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8624   -0.5476    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5825    0.1904    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4687   -1.0200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3687   -2.1786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8624    0.3697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7796   -0.5476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8624   -1.4717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4825   -0.1096    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1342   -1.6476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0342   -2.8200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6624    0.8283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0624    0.8283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9204   -2.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6624    1.7697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0624    1.7697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8624    2.2283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8624    3.1524    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0796    3.6041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  3  9  2  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  2  0  0  0  0
  7 14  1  0  0  0  0
 11 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 17  2  0  0  0  0
 16 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
  5 10  1  0  0  0  0
 12 15  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (716)
716

>  <Formula> (716)
C13H11N3O3S

>  <MolWeight> (716)
289.30974

>  <COMPOUND_NAME> (716)
WAY-224513

>  <BAR_CODE_NO> (716)
3902638

$$$$
WAY-226614
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    3.0988    7.2241    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2668    5.8923    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8255    4.5604    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.4892    6.9868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7963    6.0109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6085    8.5370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4271    4.5604    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.6574    3.4215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1247    6.7006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3718    8.0767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9827    5.6850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0785    2.1449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0446    3.5733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.8923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2819    1.1389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2273    6.5297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8947    1.0060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8831    2.4344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3446    5.4430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7338    7.8395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6225    6.2972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1013    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4965    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1160    4.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  2  0  0  0  0
  7  3  1  0  0  0  0
  8  3  1  0  0  0  0
  9  2  1  0  0  0  0
 10  4  1  0  0  0  0
 11  4  2  0  0  0  0
 12  8  2  0  0  0  0
 13  8  1  0  0  0  0
 14  9  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  2  0  0  0  0
 17 12  1  0  0  0  0
 18 13  2  0  0  0  0
 19 11  1  0  0  0  0
 20 10  2  0  0  0  0
 21 16  1  0  0  0  0
 22 15  1  0  0  0  0
 23 22  1  0  0  0  0
 24 21  1  0  0  0  0
 16 20  1  0  0  0  0
 14  7  1  0  0  0  0
 15 17  2  0  0  0  0
M  END
>  <Mol_ID> (717)
717

>  <Formula> (717)
C17H19NO4S2

>  <MolWeight> (717)
365.46706

>  <COMPOUND_NAME> (717)
WAY-226614

>  <BAR_CODE_NO> (717)
3901747

$$$$
WAY-226893
csChFnd80/06171916322D

 27 31  0  0  0  0  0  0  0  0999 V2000
    6.3138    3.6245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8972    3.6245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0387    2.4348    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.3526    1.2119    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2204    2.4348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9249    1.2119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5494    2.4348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    4.8381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8370    2.4348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2356    3.6466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6079    3.6466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1415    1.2119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2480    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3494    2.4791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7176    1.2119    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2743    1.2267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3723    4.8381    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6079    1.2267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8480    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1927    4.8308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2277    4.8658    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7494    2.4791    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3138    6.0538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8972    6.0538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1028    3.6245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6917    3.6245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  3  1  0  0  0  0
  8  1  1  0  0  0  0
  9  5  1  0  0  0  0
 10  7  1  0  0  0  0
 11 10  2  0  0  0  0
 12  9  2  0  0  0  0
 13  6  1  0  0  0  0
 14 18  2  0  0  0  0
 15 12  1  0  0  0  0
 16  7  2  0  0  0  0
 17  8  2  0  0  0  0
 18 16  1  0  0  0  0
 19 13  2  0  0  0  0
 20  2  1  0  0  0  0
 21 11  1  0  0  0  0
 22 14  1  0  0  0  0
 23  8  1  0  0  0  0
 24 23  1  0  0  0  0
 25  9  1  0  0  0  0
 26 27  1  0  0  0  0
 27 25  2  0  0  0  0
 20 24  1  0  0  0  0
  6  5  2  0  0  0  0
 11 14  1  0  0  0  0
 12 19  1  0  0  0  0
 26 15  2  0  0  0  0
M  END
>  <Mol_ID> (718)
718

>  <Formula> (718)
C22H18N2O3

>  <MolWeight> (718)
358.38992

>  <COMPOUND_NAME> (718)
WAY-226893

>  <BAR_CODE_NO> (718)
3902469

$$$$
WAY-227269
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
    2.4827    4.7328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8885    4.7328    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4827    6.1282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8885    6.1282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6839    4.0342    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6839    2.6964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1212    4.0289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2554    4.0289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6022    3.9781    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0845    6.8268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9148    2.0293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2817    6.8268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2554    2.6001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3100    4.6803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0956    2.5476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1019    2.6964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4932    2.0293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8314    4.7013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6022    2.5476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.7328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0956    3.9781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8314    1.8244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9148    0.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4151    1.9751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4932    0.6688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6839    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7  2  1  0  0  0  0
  8  1  1  0  0  0  0
  9 14  1  0  0  0  0
 10  4  2  0  0  0  0
 11  6  1  0  0  0  0
 12  3  1  0  0  0  0
 13  8  2  0  0  0  0
 14  7  1  0  0  0  0
 15 22  1  0  0  0  0
 16 11  1  0  0  0  0
 17  6  2  0  0  0  0
 18  9  1  0  0  0  0
 19  9  1  0  0  0  0
 20  8  1  0  0  0  0
 21 18  1  0  0  0  0
 22 19  1  0  0  0  0
 23 11  2  0  0  0  0
 24 16  1  0  0  0  0
 25 17  1  0  0  0  0
 26 25  2  0  0  0  0
  2  4  1  0  0  0  0
 23 26  1  0  0  0  0
 21 15  1  0  0  0  0
M  END
>  <Mol_ID> (719)
719

>  <Formula> (719)
C19H24N2O5

>  <MolWeight> (719)
360.40426

>  <COMPOUND_NAME> (719)
WAY-227269

>  <BAR_CODE_NO> (719)
3901916

$$$$
WAY-227616
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    3.2379    2.4974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6095    2.4974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4479    1.3839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4002    3.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0905    1.7798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0322    3.1637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3094    1.2549    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4293    3.6745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7612    2.4391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2352    3.7258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6933    1.2284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3773    2.4391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6976    4.8711    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7973    3.5844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9410    0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6706    4.9842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4611    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7612    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3543    0.0265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6066    5.9192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2421    5.4649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  2  0  0  0  0
  7  2  1  0  0  0  0
  8  9  1  0  0  0  0
  9 12  2  0  0  0  0
 10  2  2  0  0  0  0
 11  7  1  0  0  0  0
 12 11  1  0  0  0  0
 13  8  2  0  0  0  0
 14  8  1  0  0  0  0
 15  3  1  0  0  0  0
 16  4  1  0  0  0  0
 17  6  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 11  2  0  0  0  0
 21 16  1  0  0  0  0
 22 21  1  0  0  0  0
  6  5  1  0  0  0  0
 17 22  1  0  0  0  0
 18  9  1  0  0  0  0
M  END
>  <Mol_ID> (720)
720

>  <Formula> (720)
C17H17NO4

>  <MolWeight> (720)
299.32118

>  <COMPOUND_NAME> (720)
WAY-227616

>  <BAR_CODE_NO> (720)
3902147

$$$$
WAY-227649
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
  -10.8680  -12.2570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7305  -12.0270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3025  -14.3580    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3775  -10.7230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4190  -15.4690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6315  -10.1070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8250  -14.0195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4580  -10.0830    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -14.4785  -11.2665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7545   -8.2235    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6680   -6.0980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3835   -8.1995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.0945  -13.3800    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -5.4945   -6.3155    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
  -11.7975   -8.6340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7115  -14.5390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1150   -3.9970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0000   -9.7210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6250   -4.3470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3315   -7.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2310   -2.8980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.4565   -7.6800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  2  2  0  0  0  0
  8  6  1  0  0  0  0
  9  4  1  0  0  0  0
 10  6  2  0  0  0  0
 11 14  1  0  0  0  0
 12  8  1  0  0  0  0
 13  9  1  0  0  0  0
 14 12  1  0  0  0  0
 15  4  2  0  0  0  0
 16  7  1  0  0  0  0
 17 11  1  0  0  0  0
 18  9  2  0  0  0  0
 19 14  1  0  0  0  0
 20 15  1  0  0  0  0
 21 19  1  0  0  0  0
 22 20  2  0  0  0  0
  7  5  1  0  0  0  0
 22 18  1  0  0  0  0
 17 21  1  0  0  0  0
M  END
>  <Mol_ID> (721)
721

>  <Formula> (721)
C16H17ClN2O3

>  <MolWeight> (721)
320.77078

>  <COMPOUND_NAME> (721)
WAY-227649

>  <BAR_CODE_NO> (721)
3904099

$$$$
WAY-229016
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
    6.0870    2.1158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0870    0.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8622    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6428    0.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8622    2.7996    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6428    2.1158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2960    2.8157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5050    3.5156    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4444    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4444    2.7996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8622    4.1995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3332    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2248    0.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2248    2.1158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0319    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6534    4.9154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0712    4.9154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0712    6.3152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6534    6.3152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8622    7.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  6  2  0  0  0  0
  5  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  3  0  0  0  0
  9  4  1  0  0  0  0
 10  6  1  0  0  0  0
 11  5  1  0  0  0  0
 12  2  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  2  0  0  0  0
 15 13  1  0  0  0  0
 16 11  1  0  0  0  0
 17 11  2  0  0  0  0
 18 17  1  0  0  0  0
 19 16  2  0  0  0  0
 20 18  2  0  0  0  0
  3  4  1  0  0  0  0
 19 20  1  0  0  0  0
 13  9  2  0  0  0  0
M  END
>  <Mol_ID> (722)
722

>  <Formula> (722)
C16H13N3O

>  <MolWeight> (722)
263.29392

>  <COMPOUND_NAME> (722)
WAY-229016

>  <BAR_CODE_NO> (722)
3902217

$$$$
WAY-229584
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -2.0653   -0.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9757   -1.2448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1412   -1.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0653    0.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9757   -2.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8929   -0.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2377   -0.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1412    0.8828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8929   -2.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8136   -1.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2377    0.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8136   -2.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7071    0.9172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6450    0.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5726    0.9172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6450   -0.7034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4933    0.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5726    1.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4071    0.9172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4933    2.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4071    1.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3105    2.4793    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 21 22  1  0  0  0  0
  8 11  2  0  0  0  0
 10 12  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (723)
723

>  <Formula> (723)
C18H19FN2O

>  <MolWeight> (723)
298.3546632

>  <COMPOUND_NAME> (723)
WAY-229584

>  <BAR_CODE_NO> (723)
3901682

$$$$
WAY-229944
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   11.0240    1.3395    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1150    2.8325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3925    2.8325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3350   -0.1820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9475    5.8180    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   11.5980   -1.3780    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7465    1.1485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5790    4.3255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8565    4.3255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0910   -0.4595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5790    1.3685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8565    7.3110    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   11.0240    4.3255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2250    5.8180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9475    2.8325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8565    1.3685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3925   -0.1150    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   14.0095    2.3255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7080   -1.0335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6270    1.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000    0.1150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  9  1  0  0  0  0
  6  4  2  0  0  0  0
  7  1  1  0  0  0  0
  8  3  2  0  0  0  0
  9  8  1  0  0  0  0
 10  7  2  0  0  0  0
 11  3  1  0  0  0  0
 12  5  1  0  0  0  0
 13  2  2  0  0  0  0
 14  5  2  0  0  0  0
 15 16  1  0  0  0  0
 16 11  2  0  0  0  0
 17 11  1  0  0  0  0
 18  7  1  0  0  0  0
 19 10  1  0  0  0  0
 20 18  2  0  0  0  0
 21 20  1  0  0  0  0
  6 10  1  0  0  0  0
 19 21  2  0  0  0  0
  9 15  2  0  0  0  0
M  END
>  <Mol_ID> (724)
724

>  <Formula> (724)
C14H8ClN3O3

>  <MolWeight> (724)
301.68462

>  <COMPOUND_NAME> (724)
WAY-229944

>  <BAR_CODE_NO> (724)
3902091

$$$$
WAY-230580
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    0.6107    1.6828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4341    2.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6176    0.4862    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6452    2.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4341    3.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4617    1.6828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6107   -0.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4134   -0.1034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6521   -0.1034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6418    3.4931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4720    4.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5030    2.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4237   -1.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6418   -1.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5065    3.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5272    1.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4272   -2.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6383   -2.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5410    4.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6038   -3.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5935   -4.2586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6211   -4.8655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6556   -4.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6107   -6.0552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  3  9  2  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  2  0  0  0  0
  7 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  1  0  0  0  0
 17 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
  5 10  1  0  0  0  0
 12 15  1  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (725)
725

>  <Formula> (725)
C17H17N3O3S

>  <MolWeight> (725)
343.40018

>  <COMPOUND_NAME> (725)
WAY-230580

>  <BAR_CODE_NO> (725)
3903677

$$$$
WAY-230678
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
    5.2985    5.3676    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2115    6.4883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2985    7.6227    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6674    4.0027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9658    5.7966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6852    3.0067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9658    7.1938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3202    3.3618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0140    3.6384    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3471    2.3565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7529    5.0680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7529    7.8994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9822    2.6746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6976    1.0099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5494    5.7966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5494    7.1938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7384    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3735    0.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  5  2  0  0  0  0
  8  6  2  0  0  0  0
  9  4  2  0  0  0  0
 10  8  1  0  0  0  0
 11  5  1  0  0  0  0
 12  7  1  0  0  0  0
 13 10  2  0  0  0  0
 14 10  1  0  0  0  0
 15 11  2  0  0  0  0
 16 15  1  0  0  0  0
 17 14  2  0  0  0  0
 18 13  1  0  0  0  0
 19 17  1  0  0  0  0
  7  3  1  0  0  0  0
 12 16  2  0  0  0  0
 19 18  2  0  0  0  0
M  END
>  <Mol_ID> (726)
726

>  <Formula> (726)
C16H12N2O

>  <MolWeight> (726)
248.27928

>  <COMPOUND_NAME> (726)
WAY-230678

>  <BAR_CODE_NO> (726)
3901614

$$$$
WAY-231039
csChFnd80/06171916322D

 17 18  0  0  0  0  0  0  0  0999 V2000
    1.7761   -1.3205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3623   -0.6067    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5795   -1.4964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3623   -2.0377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5278   -0.6067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6657   -2.3136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9174   -2.6515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1174    0.1036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1174   -1.3239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7136    0.1002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1377    0.8174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9722    0.8174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7239    1.5278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3826    1.5278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1377    2.2485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9722    2.2485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3860    2.9657    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 16 17  1  0  0  0  0
  6  7  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (727)
727

>  <Formula> (727)
C13H16BrNO2

>  <MolWeight> (727)
298.17564

>  <COMPOUND_NAME> (727)
WAY-231039

>  <BAR_CODE_NO> (727)
3901489

$$$$
WAY-231490
csChFnd80/06171916322D

 18 19  0  0  0  0  0  0  0  0999 V2000
    1.6343   -0.0243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2826   -0.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9826   -0.4002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6343    0.7239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9343   -0.0243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2826   -1.1519    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.3343   -0.0243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2826    1.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9343    0.7239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3174   -0.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9657   -0.0243    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3174   -1.1519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6174   -0.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2623   -0.0243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3416    0.7170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9519   -0.3381    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0761    0.8757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4519    0.2239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
  8  9  2  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (728)
728

>  <Formula> (728)
C13H12ClNO3

>  <MolWeight> (728)
265.69228

>  <COMPOUND_NAME> (728)
WAY-231490

>  <BAR_CODE_NO> (728)
3901902

$$$$
WAY-232669
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
    4.8621    2.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0822    2.0710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3107    2.7292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3107    4.1073    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8621    4.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9958    4.9409    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6335    2.0710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6335    4.8091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6108    4.9409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0822    0.7371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4222    2.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8393    4.2827    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4222    4.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6335    0.7371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2376    2.0974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2084    5.0198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6108    6.4154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3695    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2084    6.4506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8393    7.2051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  2  0  0  0  0
  6  4  1  0  0  0  0
  7  1  1  0  0  0  0
  8  5  1  0  0  0  0
  9  6  1  0  0  0  0
 10  2  2  0  0  0  0
 11  7  2  0  0  0  0
 12  9  2  0  0  0  0
 13 11  1  0  0  0  0
 14  7  1  0  0  0  0
 15 11  1  0  0  0  0
 16 12  1  0  0  0  0
 17  9  1  0  0  0  0
 18 14  1  0  0  0  0
 19 15  1  0  0  0  0
 20 21  1  0  0  0  0
 21 17  2  0  0  0  0
  4  3  1  0  0  0  0
  8 13  2  0  0  0  0
 20 16  2  0  0  0  0
M  END
>  <Mol_ID> (729)
729

>  <Formula> (729)
C15H14N2O4

>  <MolWeight> (729)
286.28266

>  <COMPOUND_NAME> (729)
WAY-232669

>  <BAR_CODE_NO> (729)
3902566

$$$$
WAY-232899
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -1.5341   -0.0342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4203   -0.0342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2582   -0.8756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9341    0.6037    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6996   -0.8514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9996    0.6244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9824   -1.3963    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3996   -1.0756    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0824    0.4244    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5582   -1.0342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8582    0.4486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9824   -2.2618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2004   -0.4135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1444   -0.3756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0797   -0.5756    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4004   -1.3963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2797   -1.5342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8418   -0.8342    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6004   -2.3756    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5314   -0.0135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0694    0.7003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6694    0.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7314    1.5037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3176    0.9382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8659    1.6244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5314    2.4382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6694    2.5382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0659    3.1382    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
 10 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
  5  7  1  0  0  0  0
  9 13  2  0  0  0  0
 11 14  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (730)
730

>  <Formula> (730)
C20H17N5O2S

>  <MolWeight> (730)
391.44628

>  <COMPOUND_NAME> (730)
WAY-232899

>  <BAR_CODE_NO> (730)
3902830

$$$$
WAY-233812
csChFnd80/06171916322D

 25 29  0  0  0  0  0  0  0  0999 V2000
   -0.3225   -0.3505    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4878    0.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3225   -1.2781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9466   -0.3505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4878    1.0702    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2913   -0.3505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4878   -1.7436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1363   -1.7436    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9466   -1.2781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7639    0.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2671    1.6564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2984    1.6116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2913   -1.2781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4878   -2.7057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7639   -1.7436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5673   -0.3505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8913    2.5840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2465    1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292    2.5840    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292   -1.7505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4878   -3.6712    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5673   -1.2781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5878    3.3357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8947    2.2185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5671    3.1426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  2  0  0  0  0
 11 17  2  0  0  0  0
 11 18  1  0  0  0  0
 12 19  2  0  0  0  0
 13 20  1  0  0  0  0
 14 21  3  0  0  0  0
 15 22  2  0  0  0  0
 17 23  1  0  0  0  0
 18 24  2  0  0  0  0
 23 25  2  0  0  0  0
  7 13  2  0  0  0  0
  8  9  1  0  0  0  0
 16 22  1  0  0  0  0
 17 19  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (731)
731

>  <Formula> (731)
C20H13N5

>  <MolWeight> (731)
323.35072

>  <COMPOUND_NAME> (731)
WAY-233812

>  <BAR_CODE_NO> (731)
3903581

$$$$
WAY-234610-B
csChFnd80/06171916322D

 15 17  0  0  0  0  0  0  0  0999 V2000
    0.6312    0.7522    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8933   -0.0202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1929    0.7522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2899    1.2453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2243   -0.5133    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7174   -0.0133    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4446   -0.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7446    1.3591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9692    0.7591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2243   -1.3409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2481   -0.2064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5446    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4860   -1.7512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8032    0.4074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4860   -2.5823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
  5  7  1  0  0  0  0
  6  9  1  0  0  0  0
 12 14  2  0  0  0  0
M  END
>  <Mol_ID> (732)
732

>  <Formula> (732)
C12H15N3

>  <MolWeight> (732)
201.2676

>  <COMPOUND_NAME> (732)
WAY-234610-B

>  <BAR_CODE_NO> (732)
3901766

$$$$
WAY-234992
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    4.5555    2.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7371    3.5981    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7371    1.3434    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9557    2.4915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4347    1.7657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4347    3.1657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0559    1.2818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6559    1.2818    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.7561    2.4915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1561    2.4915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8716    1.2818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7561    0.0619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1561    0.0619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1695    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8356    3.7063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9557    0.0619    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2563    1.2818    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2199    1.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2199    3.8659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2152    3.7063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9410    0.0979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  8  1  0  0  0  0
  8  4  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  2  0  0  0  0
 11 13  2  0  0  0  0
 12  7  2  0  0  0  0
 13 12  1  0  0  0  0
 14  3  1  0  0  0  0
 15 10  1  0  0  0  0
 16  8  1  0  0  0  0
 17 11  1  0  0  0  0
 18  5  1  0  0  0  0
 19  6  1  0  0  0  0
 20 15  1  0  0  0  0
 21 17  1  0  0  0  0
 22 18  2  0  0  0  0
 23 19  2  0  0  0  0
  5  6  2  0  0  0  0
 22 23  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <Mol_ID> (733)
733

>  <Formula> (733)
C18H20N2O3

>  <MolWeight> (733)
312.363

>  <COMPOUND_NAME> (733)
WAY-234992

>  <BAR_CODE_NO> (733)
3901524

$$$$
WAY-235924
csChFnd80/06171916322D

 19 20  0  0  0  0  0  0  0  0999 V2000
    8.7695    0.3090    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4845    2.0790    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6390    0.9880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7660    0.7205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    2.4960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6165    1.8065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6580    0.5710    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.5260    0.8285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4010    1.5080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5225    1.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6805   -0.2470    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4250    1.0910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2520    2.5885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9010    0.0565    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3115    3.5765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2900    1.7550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1265    3.2525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1355    2.8410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000    3.5150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  6  1  0  0  0  0
  6  4  2  0  0  0  0
  7  3  1  0  0  0  0
  8 10  1  0  0  0  0
  9  8  1  0  0  0  0
 10  7  1  0  0  0  0
 11  8  2  0  0  0  0
 12  9  2  0  0  0  0
 13  9  1  0  0  0  0
 14  4  1  0  0  0  0
 15  5  1  0  0  0  0
 16 12  1  0  0  0  0
 17 13  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
  5  2  2  0  0  0  0
 18 16  2  0  0  0  0
M  END
>  <Mol_ID> (734)
734

>  <Formula> (734)
C13H13N3O2S

>  <MolWeight> (734)
275.32622

>  <COMPOUND_NAME> (734)
WAY-235924

>  <BAR_CODE_NO> (734)
3903508

$$$$
WAY-236469
csChFnd80/06171916322D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -0.7603   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5686   -0.6792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3811   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3811    0.7208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7603    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5686    1.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0522   -0.6792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8522   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1936   -0.6542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5686    2.1333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6564   -0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6522   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8522    0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4814   -0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4522   -2.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6814    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5022    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  6  1  0  0  0  0
  5  1  2  0  0  0  0
  6  5  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9  3  2  0  0  0  0
 10  6  2  0  0  0  0
 11  8  1  0  0  0  0
 12 11  1  0  0  0  0
 13  8  2  0  0  0  0
 14 11  2  0  0  0  0
 15 12  1  0  0  0  0
 16 13  1  0  0  0  0
 17 16  2  0  0  0  0
  3  4  1  0  0  0  0
 14 17  1  0  0  0  0
M  END
>  <Mol_ID> (735)
735

>  <Formula> (735)
C11H11N3O3

>  <MolWeight> (735)
233.22334

>  <COMPOUND_NAME> (735)
WAY-236469

>  <BAR_CODE_NO> (735)
3902654

$$$$
WAY-299654
csChFnd80/06171916322D

 23 26  0  0  0  0  0  0  0  0999 V2000
   -2.1414   -1.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1414   -0.9586    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.1414   -2.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0414   -0.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5207   -1.7966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4207   -0.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6690   -0.0310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1414   -2.6586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0414   -2.8793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9621   -1.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4931   -1.7966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6517   -0.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9621   -2.3586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1931    0.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1931   -0.9793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2207    0.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6517    1.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7517    1.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1931    2.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2207    2.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7793    2.0034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9517    3.4759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8931    3.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  9 13  2  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
  5  8  1  0  0  0  0
 10 13  1  0  0  0  0
 19 20  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (736)
736

>  <Formula> (736)
C17H13NO5

>  <MolWeight> (736)
311.28882

>  <COMPOUND_NAME> (736)
WAY-299654

>  <BAR_CODE_NO> (736)
3901499

$$$$
WAY-299656
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    0.4495   -0.6865    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9685   -0.9745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0575   -0.3775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7555   -0.1525    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1405   -1.1905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4905   -0.6865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1045    0.2285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4905   -0.0805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5825   -0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0575    0.2285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1045   -0.3775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5825    0.5285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6205    0.5285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9975    0.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9915    0.8075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5255   -0.6865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9975   -0.9745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6205    1.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1425    0.2285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5255   -0.0805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1425    1.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6585    0.5285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6585    1.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  1  2  0  0  0  0
  6  2  1  0  0  0  0
  7 12  1  0  0  0  0
  8  6  1  0  0  0  0
  9  3  2  0  0  0  0
 10  3  1  0  0  0  0
 11  9  1  0  0  0  0
 10 12  2  0  0  0  0
 13  7  1  0  0  0  0
 14  8  2  0  0  0  0
 15 14  1  0  0  0  0
 16 17  1  0  0  0  0
  6 17  2  0  0  0  0
 13 18  2  0  0  0  0
 19 13  1  0  0  0  0
 16 20  2  0  0  0  0
 21 18  1  0  0  0  0
 22 19  2  0  0  0  0
 23 22  1  0  0  0  0
  7 11  2  0  0  0  0
 20 14  1  0  0  0  0
 21 23  2  0  0  0  0
M  END
>  <Mol_ID> (737)
737

>  <Formula> (737)
C18H15NO3S

>  <MolWeight> (737)
325.3816

>  <COMPOUND_NAME> (737)
WAY-299656

>  <BAR_CODE_NO> (737)
3901503

$$$$
WAY-299660
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
    4.8442    4.2275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8442    2.8007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6288    4.9029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6288    2.0962    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0596    4.9322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4671    4.9029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4662    4.2275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6490    6.3415    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2574    4.2453    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4662    2.8007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0055    6.5705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7354    4.3216    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.7100    5.3785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0714    2.1138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0596    6.3122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5986    7.8388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6288    6.3238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6111    0.7047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8208    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0245    0.6753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2095    4.9029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2095    2.0962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9783    7.9796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7766    8.9721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5714    9.2538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3694   10.2696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7494   10.4105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  9  1  0  0  0  0
  7  3  1  0  0  0  0
  8  6  2  0  0  0  0
  9  5  1  0  0  0  0
 10  7  2  0  0  0  0
 11  8  1  0  0  0  0
 12  6  1  0  0  0  0
 13 12  1  0  0  0  0
 14  2  2  0  0  0  0
 15  5  2  0  0  0  0
 16 11  1  0  0  0  0
 17  3  1  0  0  0  0
 18  4  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21  7  1  0  0  0  0
 22 10  1  0  0  0  0
 23 16  1  0  0  0  0
 24 16  2  0  0  0  0
 25 21  2  0  0  0  0
 26 25  1  0  0  0  0
 27 23  2  0  0  0  0
 28 24  1  0  0  0  0
 29 28  2  0  0  0  0
 10  4  1  0  0  0  0
 13 11  2  0  0  0  0
 22 26  2  0  0  0  0
 29 27  1  0  0  0  0
M  END
>  <Mol_ID> (738)
738

>  <Formula> (738)
C22H17N3O3S

>  <MolWeight> (738)
403.45368

>  <COMPOUND_NAME> (738)
WAY-299660

>  <BAR_CODE_NO> (738)
3901507

$$$$
WAY-299674
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -2.2793    1.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2793    0.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2655    1.7828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2034    1.9828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2655    0.0552    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2034   -0.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6345    0.9172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9345    2.7931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1172    1.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1172    0.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4276    0.9172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9586   -0.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0276   -0.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4276   -0.9172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5586   -0.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9586   -1.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0207   -1.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6172   -0.9276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5414   -2.7552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1552   -0.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6069   -2.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
  5  7  1  0  0  0  0
  9 10  2  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (739)
739

>  <Formula> (739)
C17H14O3S

>  <MolWeight> (739)
298.35626

>  <COMPOUND_NAME> (739)
WAY-299674

>  <BAR_CODE_NO> (739)
3901521

$$$$
WAY-299693
csChFnd80/06171916322D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -2.4755    0.0554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9755   -0.9170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6755    0.8243    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5651    0.1140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8858   -0.7343    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5548   -1.8550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7030    0.3554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1755   -0.8067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6651   -1.8274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2866    0.9036    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2452    0.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2245    0.8830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2452   -0.7653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1866    0.3036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1866    0.8554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1142    0.3036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1866    1.9726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
  5  7  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <Mol_ID> (740)
740

>  <Formula> (740)
C11H14N2O3S

>  <MolWeight> (740)
254.30546

>  <COMPOUND_NAME> (740)
WAY-299693

>  <BAR_CODE_NO> (740)
3901546

$$$$
WAY-299696
csChFnd80/06171916322D

 23 26  0  0  0  0  0  0  0  0999 V2000
   -1.2442    0.3121    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2822   -0.3017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2063   -0.3017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2442    1.6811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2822   -1.5293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3235    0.3121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2063   -1.5293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8351    0.3121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1730    1.6811    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2442    3.0500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2442   -2.1431    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3235   -2.1431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3615   -0.3017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8351   -2.1431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8730   -0.3017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2489    1.6811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3615   -1.5293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8730   -1.5293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2489    0.4535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2903    2.2949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2903   -0.1603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3282    1.6811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3282    0.4535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  2  0  0  0  0
  7 14  1  0  0  0  0
  8 15  2  0  0  0  0
  9 16  1  0  0  0  0
 12 17  2  0  0  0  0
 14 18  2  0  0  0  0
 16 19  1  0  0  0  0
 16 20  2  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
  7 11  1  0  0  0  0
 13 17  1  0  0  0  0
 15 18  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (741)
741

>  <Formula> (741)
C19H14N2OS

>  <MolWeight> (741)
318.39226

>  <COMPOUND_NAME> (741)
WAY-299696

>  <BAR_CODE_NO> (741)
3901549

$$$$
WAY-299703
csChFnd80/06171916322D

 21 22  0  0  0  0  0  0  0  0999 V2000
    1.1690   -0.1586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3379   -0.1586    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6517    0.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6517   -0.8276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4862   -0.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3379    0.6655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3379   -0.9862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4379    0.2517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3966    1.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4379   -0.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8966    0.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8966   -0.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9483    1.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1069   -1.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7241    0.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4862    1.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7241   -0.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1345   -0.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1345   -1.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9621   -0.1586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3724    0.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3  8  2  0  0  0  0
  3  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
  8 10  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (742)
742

>  <Formula> (742)
C15H20N2O3S

>  <MolWeight> (742)
308.3959

>  <COMPOUND_NAME> (742)
WAY-299703

>  <BAR_CODE_NO> (742)
3901556

$$$$
WAY-299704
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.8957   -0.8888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8957   -0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1957   -1.1096    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1957    0.0737    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2043   -0.5096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5165   -1.2513    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1540   -0.8721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1540   -0.1513    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5165    0.2112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9460   -0.5096    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0460    0.7737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8332   -1.2263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5165    0.9487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5165   -1.9721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7460    0.9112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1460    1.1904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8835    1.3279    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2210    0.3737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9835    1.5904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6835    1.7279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9210    0.5279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3043   -1.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3043    0.1362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  2  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  2  1  0  0  0  0
 10  5  1  0  0  0  0
 11  4  1  0  0  0  0
 12  7  2  0  0  0  0
 13  9  2  0  0  0  0
 14  6  1  0  0  0  0
 15 11  1  0  0  0  0
 16 20  1  0  0  0  0
 17 16  1  0  0  0  0
 18 15  2  0  0  0  0
 19 15  1  0  0  0  0
 20 19  2  0  0  0  0
 21 18  1  0  0  0  0
 22 10  1  0  0  0  0
 23 10  1  0  0  0  0
  5  4  1  0  0  0  0
  9  8  1  0  0  0  0
 16 21  2  0  0  0  0
M  END
>  <Mol_ID> (743)
743

>  <Formula> (743)
C15H16FN5O2

>  <MolWeight> (743)
317.3182432

>  <COMPOUND_NAME> (743)
WAY-299704

>  <BAR_CODE_NO> (743)
3901557

$$$$
WAY-300006
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -1.3931   -0.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6103    0.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3931   -0.9690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1034    0.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1207   -0.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3517    0.8966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6103   -1.2207    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1034   -1.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8172   -0.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7034   -0.5517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4517    1.0690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9034    1.5103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8172   -0.9690    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.5310   -0.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5345   -1.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9448    0.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9448   -1.2621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5276    0.8793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7655    0.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9414    1.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1793    0.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7655    1.5897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
  8 13  1  0  0  0  0
 10 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 16 18  1  0  0  0  0
 16 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
  5  7  1  0  0  0  0
  9 13  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (744)
744

>  <Formula> (744)
C16H17N3O2S

>  <MolWeight> (744)
315.39008

>  <COMPOUND_NAME> (744)
WAY-300006

>  <BAR_CODE_NO> (744)
3901947

$$$$
WAY-300015
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -1.7862   -0.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4483   -0.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3862   -0.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6103    0.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8655   -1.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8241   -0.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4103   -1.0517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8034    0.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0483    0.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4655   -0.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6483    0.6034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1759   -0.4138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5345    0.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1517    0.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2517    0.6655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5138    0.5483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1517    0.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5138    0.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4138   -0.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1345    0.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0345   -0.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3966    0.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  6 10  1  0  0  0  0
  8 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
  5  7  1  0  0  0  0
  9 11  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (745)
745

>  <Formula> (745)
C19H18N2O

>  <MolWeight> (745)
290.35902

>  <COMPOUND_NAME> (745)
WAY-300015

>  <BAR_CODE_NO> (745)
3901957

$$$$
WAY-300017
csChFnd80/06171916322D

 28 30  0  0  0  0  0  0  0  0999 V2000
   -1.9069    0.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6069    0.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0069    1.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1276    0.2241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3276    0.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8276   -0.7552    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3069    1.9448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4276    0.7448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9621   -0.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6621   -0.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5276    1.5862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3621    2.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3724    0.4034    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2276    2.7448    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5069    2.8862    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4483    3.6655    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.4724   -0.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2517   -0.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3517   -1.6552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9517   -0.2966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1517   -1.9966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8379   -1.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2517   -2.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6138   -1.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7517   -0.6345    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0379   -3.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7138   -2.6759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4517   -0.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
 22 25  1  0  0  0  0
 23 26  1  0  0  0  0
 24 27  1  0  0  0  0
 25 28  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <Mol_ID> (746)
746

>  <Formula> (746)
C18H14F3N3OS3

>  <MolWeight> (746)
441.5134696

>  <COMPOUND_NAME> (746)
WAY-300017

>  <BAR_CODE_NO> (746)
3901960

$$$$
WAY-300030
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
    0.1932    0.5245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7516    1.0728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1380    1.0728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1932   -0.5237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6965    0.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7516    2.1625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0794    0.5418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1380   -1.0582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6965   -0.5237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6482    1.0728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0794   -0.5237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6482   -1.1065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5896    0.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0242   -1.0582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5896   -0.5237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9691   -0.5237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5482   -1.1065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9622    0.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9139   -1.0582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4792   -0.5237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9070    1.0728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8518   -0.5237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4240   -1.1065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4792    0.5245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8518    0.5418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  7 11  1  0  0  0  0
  9 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  2  0  0  0  0
 17 20  1  0  0  0  0
 18 21  2  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 20 24  2  0  0  0  0
 21 25  1  0  0  0  0
  8 11  1  0  0  0  0
 13 15  2  0  0  0  0
 22 25  2  0  0  0  0
M  END
>  <Mol_ID> (747)
747

>  <Formula> (747)
C21H23NO3

>  <MolWeight> (747)
337.41222

>  <COMPOUND_NAME> (747)
WAY-300030

>  <BAR_CODE_NO> (747)
3901982

$$$$
WAY-300032
csChFnd80/06171916322D

 23 26  0  0  0  0  0  0  0  0999 V2000
   -0.0034   -0.1690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0034    0.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6448   -0.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6586   -0.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6448    0.9586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6586    0.9621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6448   -1.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2966   -0.1690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3103   -0.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6552   -1.2931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7241    1.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3310    0.6552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3103    0.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2966   -1.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0034   -1.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9448   -0.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9655   -0.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4586    1.8621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8310    1.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9655    0.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9448   -1.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6138   -0.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6138    0.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  2  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 17  1  0  0  0  0
 11 18  1  0  0  0  0
 12 19  1  0  0  0  0
 13 20  1  0  0  0  0
 14 21  1  0  0  0  0
 17 22  2  0  0  0  0
 20 23  2  0  0  0  0
  9 13  2  0  0  0  0
 16 21  2  0  0  0  0
 18 19  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (748)
748

>  <Formula> (748)
C18H13N3O2

>  <MolWeight> (748)
303.31472

>  <COMPOUND_NAME> (748)
WAY-300032

>  <BAR_CODE_NO> (748)
3901984

$$$$
WAY-300037
csChFnd80/06171916322D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -1.8435   -0.1268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0539    0.6663    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7953    0.3249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7435   -1.2130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5677    1.6318    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0323    0.3146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6608    1.4284    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7125   -0.2613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6504   -1.8371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7806    1.0077    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6401   -1.3682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7392    0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7427    0.9284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6910   -0.7199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7013    0.3215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6496   -1.3268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6530   -0.8061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6772    0.6318    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  6 10  1  0  0  0  0
  8 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
  5  7  2  0  0  0  0
  9 11  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (749)
749

>  <Formula> (749)
C13H11ClN4

>  <MolWeight> (749)
258.70624

>  <COMPOUND_NAME> (749)
WAY-300037

>  <BAR_CODE_NO> (749)
3901990

$$$$
WAY-300040
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.7655    0.4414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5276    0.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3517    1.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7655   -0.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5276   -0.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1138    1.0207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1759    1.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1138   -0.6828    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4138   -0.6828    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9379   -1.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4276    1.8172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8414    0.5414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7655   -1.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2517    1.8172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5138    1.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1724   -0.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1724   -1.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9966   -0.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9966   -1.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4103   -1.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
 13 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
  5  8  1  0  0  0  0
 14 15  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (750)
750

>  <Formula> (750)
C15H11NO2S2

>  <MolWeight> (750)
301.38334

>  <COMPOUND_NAME> (750)
WAY-300040

>  <BAR_CODE_NO> (750)
3901994

$$$$
WAY-300043
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -0.1724    0.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5448    0.3724    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.1724    1.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8897    0.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5483   -0.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2586    0.7897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8897    2.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5345    2.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000    0.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2586   -0.8655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1586   -0.8552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2483    1.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000    1.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3138    0.3724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2552   -1.6759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1621   -1.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9621    2.0345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3207    2.0276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3138   -0.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5483   -2.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9655   -2.0897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0345    1.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5483   -2.9034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6828   -1.6759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2655   -3.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  2  0  0  0  0
 12 17  2  0  0  0  0
 13 18  1  0  0  0  0
 14 19  1  0  0  0  0
 15 20  2  0  0  0  0
 15 21  1  0  0  0  0
 18 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 23 25  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  2  0  0  0  0
 16 20  1  0  0  0  0
M  END
>  <Mol_ID> (751)
751

>  <Formula> (751)
C19H20O6

>  <MolWeight> (751)
344.3585

>  <COMPOUND_NAME> (751)
WAY-300043

>  <BAR_CODE_NO> (751)
3901998

$$$$
WAY-300046
csChFnd80/06171916322D

 17 18  0  0  0  0  0  0  0  0999 V2000
    2.3345   -0.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3552    0.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5207   -0.9483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1414   -0.9621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5414    0.9379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1586    0.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7069   -0.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7069    0.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0966   -0.9310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9069   -0.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9069    0.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7172   -0.9310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7172    0.9517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5310   -0.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5310    0.4759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7172    1.8897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3414   -0.9103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  5  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 14 17  2  0  0  0  0
  7  8  2  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (752)
752

>  <Formula> (752)
C12H13N3O2

>  <MolWeight> (752)
231.25052

>  <COMPOUND_NAME> (752)
WAY-300046

>  <BAR_CODE_NO> (752)
3902004

$$$$
WAY-300063
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.9828    0.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9310   -0.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1931   -0.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5483    1.8103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1793    0.6034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9276   -1.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3483    0.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8862    1.8276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4172   -0.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1690    2.0483    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.1586   -2.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3000   -0.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4069   -1.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4448    3.2966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6138    2.0517    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.5379    0.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3034   -1.5207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7759   -0.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5483    1.8828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5483   -2.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7862   -1.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5552   -3.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  2  0  0  0  0
 10 15  1  0  0  0  0
 12 16  2  0  0  0  0
 12 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  2  0  0  0  0
 18 21  2  0  0  0  0
 20 22  1  0  0  0  0
  7  8  2  0  0  0  0
 11 13  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (753)
753

>  <Formula> (753)
C16H13N3O3

>  <MolWeight> (753)
295.29272

>  <COMPOUND_NAME> (753)
WAY-300063

>  <BAR_CODE_NO> (753)
3902023

$$$$
WAY-300072
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
    3.1138    1.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4931    0.3759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4931    2.4966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3138    1.1966    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2724    0.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3138   -0.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2724    2.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4552   -0.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7724   -0.8828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0724   -1.7448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6552    1.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6552    3.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4655   -1.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5862    1.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5862    3.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9655   -2.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1862   -0.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1862    2.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1862   -2.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4069   -0.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9069   -1.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6862   -3.4034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1448   -1.3655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9069   -3.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6655   -2.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  7 12  2  0  0  0  0
  9 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  2  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
  6  8  1  0  0  0  0
 15 18  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (754)
754

>  <Formula> (754)
C19H20N2O3S

>  <MolWeight> (754)
356.4387

>  <COMPOUND_NAME> (754)
WAY-300072

>  <BAR_CODE_NO> (754)
3902033

$$$$
WAY-300093
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -1.3204    0.2950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3204    1.4778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1859   -0.0843    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3583   -0.3153    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1859    1.8571    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3583    2.0813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4934    0.8985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3928    0.2950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3583   -1.5256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3928    1.4778    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3583    3.2709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7072    0.8985    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4307   -0.3360    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2865   -0.1394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7072   -1.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4969   -0.1394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2865   -2.2119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0796   -1.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4969   -2.2119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1072   -3.2394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 19 20  1  0  0  0  0
  5  7  1  0  0  0  0
  8 10  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (755)
755

>  <Formula> (755)
C13H13N5O2

>  <MolWeight> (755)
271.27462

>  <COMPOUND_NAME> (755)
WAY-300093

>  <BAR_CODE_NO> (755)
3902058

$$$$
WAY-300107
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -0.7724    0.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0931   -0.1172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3931   -0.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7345    0.8828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3655    0.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0862   -0.8172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0345    0.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3931   -0.9379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0345    1.0828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0862    0.4034    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4345   -1.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6724   -0.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0345   -1.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4966    0.9931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6724   -0.9172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1966    0.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3345   -1.2759    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.5069    0.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6172    1.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3517   -2.0172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9517   -0.8966    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.2069    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3379    1.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6379    0.7828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3586    0.7241    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  2  0  0  0  0
 10 14  1  0  0  0  0
 12 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  2  0  0  0  0
 17 20  2  0  0  0  0
 17 21  1  0  0  0  0
 18 22  2  0  0  0  0
 19 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
  5  9  2  0  0  0  0
 13 15  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (756)
756

>  <Formula> (756)
C17H15ClN4O2S

>  <MolWeight> (756)
374.8446

>  <COMPOUND_NAME> (756)
WAY-300107

>  <BAR_CODE_NO> (756)
3902076

$$$$
WAY-300110
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -2.4241    2.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5517    1.4793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4724    1.8793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0828    3.1172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7034    2.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7931    0.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0241    3.1276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3379    1.7966    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0828    0.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8310    0.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5586    0.7483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4034   -0.9517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1621   -0.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5759    0.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4414   -1.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8069   -0.6138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3690    1.1483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8172   -0.9310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0759   -1.9724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5966   -0.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0862   -2.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3379   -2.7138    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.6069   -0.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8759   -1.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6172   -3.7310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3069   -2.4414    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  2  0  0  0  0
  8 11  1  0  0  0  0
  9 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  2  0  0  0  0
 21 24  2  0  0  0  0
 22 25  2  0  0  0  0
 22 26  1  0  0  0  0
  5  7  2  0  0  0  0
 13 15  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (757)
757

>  <Formula> (757)
C17H14N4O4S

>  <MolWeight> (757)
370.38246

>  <COMPOUND_NAME> (757)
WAY-300110

>  <BAR_CODE_NO> (757)
3902079

$$$$
WAY-300111
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    0.9034    1.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0276    0.9793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9621    1.2793    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5828    2.6586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8897    1.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2103    0.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5276    2.6793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9069    1.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2828   -0.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0690    0.1172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5207   -1.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0931    0.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0793   -0.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5931   -1.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7310   -1.9931    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.1310    0.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2172   -1.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9690    0.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3828   -0.7931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2379   -1.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9793   -0.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1172   -1.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3690   -2.9621    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  2  0  0  0  0
 13 18  1  0  0  0  0
 14 19  2  0  0  0  0
 17 20  1  0  0  0  0
 18 21  2  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
  5  7  2  0  0  0  0
 16 19  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (758)
758

>  <Formula> (758)
C16H13Cl2N3OS

>  <MolWeight> (758)
366.26492

>  <COMPOUND_NAME> (758)
WAY-300111

>  <BAR_CODE_NO> (758)
3902080

$$$$
WAY-300140
csChFnd80/06171916322D

 24 27  0  0  0  0  0  0  0  0999 V2000
    3.6828   -0.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6828    0.9448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6034   -0.5759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6828   -0.7966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6034    1.2828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6828    1.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9310    0.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6828   -0.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6828    0.9448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7724    0.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2103    1.3310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2103   -0.6690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9552    1.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7414    0.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5276    2.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7897    0.9517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6897    2.0931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7966    0.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8172   -0.7966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8172   -1.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8172   -1.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8172   -2.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8172   -2.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8172   -3.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  6  9  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
  5  7  2  0  0  0  0
  8  9  1  0  0  0  0
 16 17  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (759)
759

>  <Formula> (759)
C16H13N7O

>  <MolWeight> (759)
319.32072

>  <COMPOUND_NAME> (759)
WAY-300140

>  <BAR_CODE_NO> (759)
3902115

$$$$
WAY-300151
csChFnd80/06171916322D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.4203   -1.3387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1651    0.0440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2203   -2.6318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0797   -1.7387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3582    1.4061    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7030    0.0440    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2203   -3.8387    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.7824   -2.6318    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1797   -3.2801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3728   -0.8525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2038    1.3613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0893    2.7061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5065   -1.2560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5590   -3.9318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0176    2.6199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3203    4.0130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2694    3.9820    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1038    5.3233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
  7  9  1  0  0  0  0
  8 13  2  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (760)
760

>  <Formula> (760)
C13H18N4S

>  <MolWeight> (760)
262.37382

>  <COMPOUND_NAME> (760)
WAY-300151

>  <BAR_CODE_NO> (760)
3902131

$$$$
WAY-300161
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -0.0517    0.3241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0517   -0.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6931    0.6862    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.6483    0.5448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6931   -0.8138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6483   -0.6759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3310    0.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6931    1.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0690   -0.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3310   -0.4345    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.4517    1.4448    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6931    2.1862    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0483    1.4448    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.8276   -0.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9724   -0.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2069    0.5862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2069   -0.6931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9724   -1.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6103   -0.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9483    0.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6103   -1.9345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2517   -0.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4483    0.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3276    1.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2517   -1.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1276    0.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0483    1.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9103   -1.9552    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  2  0  0  0  0
 20 23  1  0  0  0  0
 20 24  1  0  0  0  0
 21 25  2  0  0  0  0
 23 26  1  0  0  0  0
 24 27  1  0  0  0  0
 25 28  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
 22 25  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (761)
761

>  <Formula> (761)
C19H20F4N4O

>  <MolWeight> (761)
396.3819128

>  <COMPOUND_NAME> (761)
WAY-300161

>  <BAR_CODE_NO> (761)
3902144

$$$$
WAY-300163
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -1.4412   -1.1620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6308   -1.0413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5826   -1.9723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0722   -0.6344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2688   -1.7723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2412   -0.3033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8550   -2.3516    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3550   -2.2516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8412   -0.9137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5519   -1.8896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5830   -0.2654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6791    0.3968    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9929   -1.7275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9657    0.4657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7830    0.4968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5174    1.1588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1657    1.2242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9036    1.8968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7278    1.9278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1278    2.6726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6830    3.3554    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9519    2.6899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
  8 13  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
  5  7  1  0  0  0  0
  9 13  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (762)
762

>  <Formula> (762)
C17H17NO4

>  <MolWeight> (762)
299.32118

>  <COMPOUND_NAME> (762)
WAY-300163

>  <BAR_CODE_NO> (762)
3902148

$$$$
WAY-300169
csChFnd80/06171916322D

 34 37  0  0  0  0  0  0  0  0999 V2000
   -0.7592   -0.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7592    0.1983    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2384    0.4775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2217   -0.5392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1033   -0.0767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2217    0.3775    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2384   -0.6392    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7217    0.2233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7217   -0.3767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6616   -0.0767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6158   -0.5767    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.2384    1.0400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3408   -0.0767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9408    0.3983    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5033    0.3983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7783   -0.0767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6158    0.3983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3408   -1.0600    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.1783   -0.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0384   -1.0767    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.9408   -0.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7783    0.8775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3408    0.8775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1967   -0.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7967    1.0400    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2384    1.5983    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6759    1.0400    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.6158    1.3775    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1967   -1.2225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6759   -0.3767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1783    1.3775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1592   -0.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6759   -1.5017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1592   -1.2225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  2  0  0  0  0
  5  4  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  9  1  0  0  0  0
  9  7  2  0  0  0  0
 10  5  1  0  0  0  0
 11 13  1  0  0  0  0
 12  3  1  0  0  0  0
 13 16  2  0  0  0  0
 14 10  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 23  2  0  0  0  0
 18 11  1  0  0  0  0
 19 11  2  0  0  0  0
 20  4  1  0  0  0  0
 21 10  2  0  0  0  0
 22 15  2  0  0  0  0
 23 22  1  0  0  0  0
 24  9  1  0  0  0  0
 25 12  1  0  0  0  0
 26 12  1  0  0  0  0
 27 12  1  0  0  0  0
 28 23  1  0  0  0  0
 29 24  2  0  0  0  0
 30 24  1  0  0  0  0
 31 28  1  0  0  0  0
 32 30  2  0  0  0  0
 33 29  1  0  0  0  0
 34 32  1  0  0  0  0
  5  6  2  0  0  0  0
  3  8  2  0  0  0  0
 34 33  2  0  0  0  0
 13 17  1  0  0  0  0
M  END
>  <Mol_ID> (763)
763

>  <Formula> (763)
C21H13ClF3N5O4

>  <MolWeight> (763)
491.8072296

>  <COMPOUND_NAME> (763)
WAY-300169

>  <BAR_CODE_NO> (763)
3902154

$$$$
WAY-300173
csChFnd80/06171916322D

 23 26  0  0  0  0  0  0  0  0999 V2000
   -0.8625   -0.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8625    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5208   -0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5208    1.1333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2125   -0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2125    1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4375   -0.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5125   -1.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667    0.8208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1375    1.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9750    1.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6000    2.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792   -0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2125   -1.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8250   -0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8250    1.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4375   -1.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792   -1.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4708   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4708    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  6  2  0  0  0  0
  8  2  1  0  0  0  0
  9  5  2  0  0  0  0
 10  3  2  0  0  0  0
 11  8  1  0  0  0  0
 12  8  2  0  0  0  0
 13 11  1  0  0  0  0
 14 12  1  0  0  0  0
 15  9  1  0  0  0  0
 16  5  1  0  0  0  0
 17  6  1  0  0  0  0
 18  7  1  0  0  0  0
 19 16  2  0  0  0  0
 20 19  1  0  0  0  0
 21 15  1  0  0  0  0
 22 17  2  0  0  0  0
 23 22  1  0  0  0  0
  4  7  1  0  0  0  0
 20 15  2  0  0  0  0
 13 14  2  0  0  0  0
 23 18  2  0  0  0  0
M  END
>  <Mol_ID> (764)
764

>  <Formula> (764)
C18H13N3O2

>  <MolWeight> (764)
303.31472

>  <COMPOUND_NAME> (764)
WAY-300173

>  <BAR_CODE_NO> (764)
3902158

$$$$
WAY-300177
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.0897   -0.3828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7897   -0.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4414   -0.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9414   -1.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9034    0.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3897   -0.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1103   -0.5207    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.3655    0.7345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2034   -1.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4517   -1.6552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5897    0.9172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0759   -0.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8483   -0.3655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1897    0.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0862    0.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8241    0.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3103   -0.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0483    1.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0483    0.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0862   -0.7690    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7862    1.3586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2862    0.8069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
 11 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  2  0  0  0  0
 19 22  2  0  0  0  0
  7  9  1  0  0  0  0
 12 14  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (765)
765

>  <Formula> (765)
C17H15FN2O2

>  <MolWeight> (765)
298.3116032

>  <COMPOUND_NAME> (765)
WAY-300177

>  <BAR_CODE_NO> (765)
3902163

$$$$
WAY-300183
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -1.3621   -0.4586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4241    0.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3241   -0.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4828   -1.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4069    0.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7069    1.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9448   -0.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7069   -1.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4379   -0.5793    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.6828    1.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9621    2.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9621   -0.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7241   -1.9414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3172   -1.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5172    0.4586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9828    2.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3448   -1.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2379   -0.6966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0931   -1.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2931    0.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0172   -0.7966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2172    0.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0552    0.2034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9931    0.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8552    0.0586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 12 17  1  0  0  0  0
 14 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
  5  7  1  0  0  0  0
 11 16  2  0  0  0  0
 13 17  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (766)
766

>  <Formula> (766)
C20H23N3O2

>  <MolWeight> (766)
337.41552

>  <COMPOUND_NAME> (766)
WAY-300183

>  <BAR_CODE_NO> (766)
3902172

$$$$
WAY-300184
csChFnd80/06171916322D

 29 31  0  0  0  0  0  0  0  0999 V2000
    0.0069    0.9207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2690    0.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8103    0.9207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4931    1.5828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4172   -0.3414    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0448   -0.1241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0586    0.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3069    1.5828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3034    1.4966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1586    2.3241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2138   -0.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8552   -0.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8034    2.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9931   -1.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6034   -1.4759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4586    0.4448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0483   -0.9207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1621   -1.9828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6000   -0.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2517    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2655    1.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9448   -2.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5517   -2.5310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3793   -0.8793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8517    0.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8655    1.8172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5517   -1.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7690   -2.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6586    1.5828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  9 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12 16  1  0  0  0  0
 12 17  2  0  0  0  0
 14 18  2  0  0  0  0
 14 19  1  0  0  0  0
 16 20  1  0  0  0  0
 16 21  1  0  0  0  0
 18 22  1  0  0  0  0
 18 23  1  0  0  0  0
 19 24  2  0  0  0  0
 20 25  1  0  0  0  0
 21 26  1  0  0  0  0
 22 27  2  0  0  0  0
 23 28  1  0  0  0  0
 25 29  1  0  0  0  0
  5  7  1  0  0  0  0
 24 27  1  0  0  0  0
 26 29  1  0  0  0  0
M  END
>  <Mol_ID> (767)
767

>  <Formula> (767)
C21H24N2O5S

>  <MolWeight> (767)
416.49066

>  <COMPOUND_NAME> (767)
WAY-300184

>  <BAR_CODE_NO> (767)
3902173

$$$$
WAY-300201
csChFnd80/06171916322D

 21 22  0  0  0  0  0  0  0  0999 V2000
    1.1483   -0.0586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3207   -0.0586    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6310    0.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6310   -0.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5069   -0.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3207    0.7690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3207   -0.8828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.3552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3793    1.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207   -0.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9172   -0.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9172    0.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9276    2.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0862   -0.9517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7414   -0.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7414    0.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5069    1.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1552   -0.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1552   -1.4862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9793   -0.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9793   -1.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3  8  2  0  0  0  0
  3  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  2  0  0  0  0
 12 17  1  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
  8 10  1  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (768)
768

>  <Formula> (768)
C15H20N2O3S

>  <MolWeight> (768)
308.3959

>  <COMPOUND_NAME> (768)
WAY-300201

>  <BAR_CODE_NO> (768)
3902192

$$$$
WAY-300223-A
csChFnd80/06171916322D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -0.4655   -0.9931    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.3621   -0.9724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9552   -0.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7034   -1.7862    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6345   -1.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0724   -0.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5517    0.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7759   -0.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0276   -2.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4241   -1.9931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0690    0.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9724    1.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1897    0.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7724    0.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7897    1.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7690    1.5138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2034    1.7897    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.0483    1.9138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4828    1.9310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
  5  9  1  0  0  0  0
 13 15  2  0  0  0  0
M  END
>  <Mol_ID> (769)
769

>  <Formula> (769)
C14H19BrN2OS

>  <MolWeight> (769)
343.28246

>  <COMPOUND_NAME> (769)
WAY-300223-A

>  <BAR_CODE_NO> (769)
3902221

$$$$
WAY-300226
csChFnd80/06171916322D

 18 19  0  0  0  0  0  0  0  0999 V2000
    0.8276    0.8586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0276    0.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1276    0.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3379    1.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2241    0.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4517    1.5448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4483   -0.3690    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9172   -0.1207    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0172    2.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9724   -0.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4897    2.9310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2172    2.3897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0897   -1.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5241   -1.6552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8103   -1.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9241   -2.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7310   -2.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6897   -3.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  9 11  1  0  0  0  0
  9 12  2  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
  5  7  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (770)
770

>  <Formula> (770)
C11H9NO4S2

>  <MolWeight> (770)
283.32346

>  <COMPOUND_NAME> (770)
WAY-300226

>  <BAR_CODE_NO> (770)
3902226

$$$$
WAY-300235
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
    0.6345   -1.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9966   -1.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0034   -1.8552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9552   -2.2759    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6655   -0.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6345   -1.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0759   -2.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5241   -2.7931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9966   -0.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9759   -0.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5759   -2.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6172   -3.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6862    0.5862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6345   -0.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5138   -3.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0862   -3.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0172    0.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2828    1.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3345    0.0759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9345    1.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0655    1.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2552    1.8241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2552    2.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9138    2.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9931    1.9759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0759    2.9552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2448    3.0241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6034    1.7172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6172    3.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0448    3.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12 16  2  0  0  0  0
 13 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 18 21  2  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 23 26  1  0  0  0  0
 24 27  1  0  0  0  0
 25 28  1  0  0  0  0
 26 29  1  0  0  0  0
 27 30  1  0  0  0  0
  7  8  2  0  0  0  0
 10 14  2  0  0  0  0
 15 16  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (771)
771

>  <Formula> (771)
C23H20N2O4S

>  <MolWeight> (771)
420.4809

>  <COMPOUND_NAME> (771)
WAY-300235

>  <BAR_CODE_NO> (771)
3902236

$$$$
WAY-299711
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
    1.7658    0.4065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4037    0.5341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6934   -0.2418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2141    0.7962    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7210   -0.0176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7141    1.1237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2934   -0.5176    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0693   -0.5245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6037    0.5237    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3831   -0.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3831    1.1341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5313   -0.1245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7210    0.5444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0963   -0.3659    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6066    0.0582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2342   -0.2038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7687    0.2065    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3480   -0.8659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3963   -0.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9169    0.3824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5066   -0.7038    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5480    0.1237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1342   -0.9383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6549   -0.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2859   -0.7556    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  8 12  2  0  0  0  0
 10 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
 24 25  1  0  0  0  0
  5  7  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (772)
772

>  <Formula> (772)
C16H11ClN6OS

>  <MolWeight> (772)
370.81614

>  <COMPOUND_NAME> (772)
WAY-299711

>  <BAR_CODE_NO> (772)
3901566

$$$$
WAY-299717
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -0.3744    0.3372    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3744   -0.2568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1596    0.6492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9174    0.6612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7406   -0.2328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6906    0.3372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8844   -0.5418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1596    1.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8844   -1.1298    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7406    0.3552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2256   -0.4968    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2306    0.6492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9174    1.2612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2426   -0.5418    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0564    1.6272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6684    1.6272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6906    1.5822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2416   -0.5388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2306    1.2732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4544    0.3372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3884   -1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3624   -1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4544    1.5822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2416   -1.1238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9854    0.6492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3624   -2.0148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3884   -2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7426   -1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9854    1.2732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8784   -2.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5 10  1  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8  3  2  0  0  0  0
  9  7  1  0  0  0  0
 10 12  1  0  0  0  0
 11  2  2  0  0  0  0
  6 12  2  0  0  0  0
  4 13  2  0  0  0  0
 14  5  2  0  0  0  0
 15  8  1  0  0  0  0
 16 13  1  0  0  0  0
 17  8  1  0  0  0  0
 18  5  1  0  0  0  0
 19 17  2  0  0  0  0
 20  4  1  0  0  0  0
 21  9  1  0  0  0  0
 22  9  1  0  0  0  0
 23 13  1  0  0  0  0
 24 18  1  0  0  0  0
 25 20  2  0  0  0  0
 26 22  1  0  0  0  0
 27 21  1  0  0  0  0
 28 24  1  0  0  0  0
 29 25  1  0  0  0  0
 30 26  1  0  0  0  0
 15 16  1  0  0  0  0
 23 29  2  0  0  0  0
 12 19  1  0  0  0  0
 27 30  1  0  0  0  0
M  END
>  <Mol_ID> (773)
773

>  <Formula> (773)
C24H29N3O3

>  <MolWeight> (773)
407.50536

>  <COMPOUND_NAME> (773)
WAY-299717

>  <BAR_CODE_NO> (773)
3901574

$$$$
WAY-299719
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.1014   -0.5361    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6264   -0.2361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4146   -0.2361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4146    0.3669    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6264    0.3669    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1014    0.6729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1454   -0.5361    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9336   -0.5331    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1014    1.2729    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4826   -0.2871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0026   -1.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6944   -0.2871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2054   -1.1331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9366    2.4699    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4176    1.5729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4176    2.1729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8816   -0.7371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5876   -1.2531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0934   -0.7371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7934   -1.2561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  2  5  2  0  0  0  0
  6  4  2  0  0  0  0
  7  2  1  0  0  0  0
  8  3  1  0  0  0  0
  9  6  1  0  0  0  0
 10  8  1  0  0  0  0
 11  8  1  0  0  0  0
 12  7  1  0  0  0  0
 13  7  1  0  0  0  0
 14 16  1  0  0  0  0
 15  9  1  0  0  0  0
 16 15  1  0  0  0  0
 17 10  1  0  0  0  0
 18 11  1  0  0  0  0
 19 12  1  0  0  0  0
 20 13  1  0  0  0  0
  5  6  1  0  0  0  0
 17 18  1  0  0  0  0
 20 19  1  0  0  0  0
M  END
>  <Mol_ID> (774)
774

>  <Formula> (774)
C13H22N6O

>  <MolWeight> (774)
278.35338

>  <COMPOUND_NAME> (774)
WAY-299719

>  <BAR_CODE_NO> (774)
3901576

$$$$
WAY-299720
csChFnd80/06171916322D

 32 35  0  0  0  0  0  0  0  0999 V2000
   -0.2207   -0.2586    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.9448   -0.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2172    1.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4828   -0.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9448   -1.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7310   -0.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4966    1.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9310    1.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4828   -1.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2034   -0.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7310   -1.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2345   -1.9034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2034   -1.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9793    0.3793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5034    2.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2069    1.1690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9310    2.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1966   -1.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9172   -0.6690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2069    0.5690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0586   -2.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0207   -1.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2103    2.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9276    1.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6345    2.8310    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.6310   -0.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8793   -2.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3586   -1.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6414    1.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3448   -0.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6310    0.3310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3586    1.5586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  2  0  0  0  0
  7 15  2  0  0  0  0
  7 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 18  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  2  0  0  0  0
 11 21  1  0  0  0  0
 13 22  1  0  0  0  0
 15 23  1  0  0  0  0
 16 24  1  0  0  0  0
 17 25  1  0  0  0  0
 19 26  1  0  0  0  0
 21 27  2  0  0  0  0
 22 28  2  0  0  0  0
 24 29  1  0  0  0  0
 26 30  1  0  0  0  0
 29 31  1  0  0  0  0
 29 32  2  0  0  0  0
  9 12  1  0  0  0  0
 11 13  2  0  0  0  0
 17 23  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (775)
775

>  <Formula> (775)
C24H20BrNO6

>  <MolWeight> (775)
498.3227

>  <COMPOUND_NAME> (775)
WAY-299720

>  <BAR_CODE_NO> (775)
3901577

$$$$
WAY-299730
csChFnd80/06171916322D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -0.3586    1.1138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5897    1.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0103   -0.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3517    2.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0276   -0.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3690    2.1069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0172   -0.8138    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2310   -0.3759    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    2.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1793   -0.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1103    0.8966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3379   -1.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3621    0.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4379   -2.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4276   -2.6759    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0828    1.7966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8724   -0.3655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2483   -3.5759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0069   -3.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3207    1.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 20 21  1  0  0  0  0
  5  7  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (776)
776

>  <Formula> (776)
C14H15NO3S3

>  <MolWeight> (776)
341.4688

>  <COMPOUND_NAME> (776)
WAY-299730

>  <BAR_CODE_NO> (776)
3901590

$$$$
WAY-299738
csChFnd80/06171916322D

 22 23  0  0  0  0  0  0  0  0999 V2000
   -0.3931    0.1000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.3897    0.5828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3828   -0.8172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2069    0.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3759    1.5207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1759    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4276   -1.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1931   -1.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2103    1.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0069    0.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4103    1.9897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1690    2.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9931    0.5345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1552   -0.8103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4276   -2.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1931   -2.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0241    1.9724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7931   -0.3897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0172    1.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3828   -2.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2379   -2.6621    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.8379    1.9103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  2  0  0  0  0
  7 15  2  0  0  0  0
  8 16  1  0  0  0  0
  9 17  1  0  0  0  0
 10 18  3  0  0  0  0
 13 19  1  0  0  0  0
 15 20  1  0  0  0  0
 15 21  1  0  0  0  0
 19 22  1  0  0  0  0
  9 11  1  0  0  0  0
 16 20  2  0  0  0  0
M  END
>  <Mol_ID> (777)
777

>  <Formula> (777)
C16H15BrN2O3

>  <MolWeight> (777)
363.2059

>  <COMPOUND_NAME> (777)
WAY-299738

>  <BAR_CODE_NO> (777)
3901602

$$$$
WAY-299766
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.4000    1.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4069    0.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1207    1.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0310    1.2759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3138    0.0414    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1207    0.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1207    2.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8345    1.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0241    0.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1207   -0.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8345    2.9310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5379    1.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7414    0.0414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8345   -1.1966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4069   -1.1966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5379    2.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7379   -0.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4552   -1.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0172   -1.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4552   -2.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0172   -2.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7379   -2.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7379   -3.2862    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  2  0  0  0  0
 11 16  1  0  0  0  0
 13 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 22 23  1  0  0  0  0
  5  9  1  0  0  0  0
 12 16  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (778)
778

>  <Formula> (778)
C17H13FN2O2S

>  <MolWeight> (778)
328.3607232

>  <COMPOUND_NAME> (778)
WAY-299766

>  <BAR_CODE_NO> (778)
3901636

$$$$
WAY-299777
csChFnd80/06171916322D

 26 27  0  0  0  0  0  0  0  0999 V2000
    0.0414   -0.1138    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.6034   -0.4897    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.6897   -0.4897    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0414    0.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6034   -1.2414    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.2586   -0.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6897   -1.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3448   -0.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6103    1.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6828    1.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0414   -1.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3310   -1.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9828   -1.8931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9034   -0.4828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2552    0.6483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3448   -1.6207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9966   -0.4828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3448    0.6448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6103    1.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6828    1.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5552   -0.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6448   -0.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0414    2.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2034   -0.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2966   -0.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0414    2.8862    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  2  0  0  0  0
  7 16  2  0  0  0  0
  8 17  1  0  0  0  0
  8 18  2  0  0  0  0
  9 19  1  0  0  0  0
 10 20  2  0  0  0  0
 14 21  1  0  0  0  0
 17 22  1  0  0  0  0
 19 23  2  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
 23 26  1  0  0  0  0
  7 11  1  0  0  0  0
 20 23  1  0  0  0  0
M  END
>  <Mol_ID> (779)
779

>  <Formula> (779)
C19H23ClO6

>  <MolWeight> (779)
382.83532

>  <COMPOUND_NAME> (779)
WAY-299777

>  <BAR_CODE_NO> (779)
3901653

$$$$
WAY-299785
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -0.3000    0.1103    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.0172   -0.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4138   -0.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000    0.9379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0172   -1.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7310    0.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4138   -1.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1414    0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0172    1.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4138    1.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000   -1.5483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7310   -1.5483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4517   -0.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7310    0.9379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1414   -1.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8552   -0.2966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1379    0.9379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0172    2.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4138    2.1828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4517   -1.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5690    0.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3103    2.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2517   -1.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8690   -1.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2862   -0.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9966    0.1207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7138   -0.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  2  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  2  0  0  0  0
  9 18  2  0  0  0  0
 10 19  1  0  0  0  0
 12 20  1  0  0  0  0
 16 21  1  0  0  0  0
 18 22  1  0  0  0  0
 20 23  1  0  0  0  0
 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
  7 11  1  0  0  0  0
 13 20  1  0  0  0  0
 19 22  2  0  0  0  0
M  END
>  <Mol_ID> (780)
780

>  <Formula> (780)
C21H26N2O4

>  <MolWeight> (780)
370.44214

>  <COMPOUND_NAME> (780)
WAY-299785

>  <BAR_CODE_NO> (780)
3901665

$$$$
WAY-299788
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.3690   -0.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3690    0.3452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1345   -0.3617    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8276   -0.4582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1345    0.5176    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8276    0.6142    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4517    0.0763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3103   -0.8824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2862   -0.1962    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8276   -0.9962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2862    0.3452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8276    1.1521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9931    0.0314    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7724   -0.4582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7724    0.6142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2931    0.4728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2138   -0.4582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8310    0.4245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7345   -0.5203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0690   -0.0651    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  9 14  1  0  0  0  0
 11 15  2  0  0  0  0
 13 16  1  0  0  0  0
 13 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
  5  7  2  0  0  0  0
  9 11  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (781)
781

>  <Formula> (781)
C12H18N6O2

>  <MolWeight> (781)
278.31032

>  <COMPOUND_NAME> (781)
WAY-299788

>  <BAR_CODE_NO> (781)
3901668

$$$$
WAY-299804
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
    2.2495   -3.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2495   -1.5640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1985   -5.0165    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2285   -4.9925    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7325   -1.5640    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2075   -1.5640    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7325   -3.8740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2285   -0.4090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1475   -3.9100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1325   -5.0285    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3745    0.4930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7535   -5.0165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2285    1.9365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2465   -5.0285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4120   -5.9910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4995   -2.6465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -4.2225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8090   -2.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7565    0.4930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2285   -7.3025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0420   -0.9505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1895   -6.2195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9115    2.5265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2930    2.5265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2930   -1.5640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9355   -1.5640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4840    0.4930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9895    4.2465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  7  1  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8  2  1  0  0  0  0
  9  3  2  0  0  0  0
 10  9  1  0  0  0  0
 11  6  1  0  0  0  0
 12  7  2  0  0  0  0
 13  8  2  0  0  0  0
 14 22  1  0  0  0  0
 15 14  1  0  0  0  0
 16 14  2  0  0  0  0
 17 15  1  0  0  0  0
 18 16  1  0  0  0  0
 19 11  1  0  0  0  0
 20  4  1  0  0  0  0
 21  5  1  0  0  0  0
 22 10  1  0  0  0  0
 23 19  1  0  0  0  0
 24 23  2  0  0  0  0
 25 26  1  0  0  0  0
 26 19  2  0  0  0  0
 27 25  2  0  0  0  0
 28 24  1  0  0  0  0
  6  9  1  0  0  0  0
  8  5  1  0  0  0  0
 18 17  2  0  0  0  0
 24 27  1  0  0  0  0
M  END
>  <Mol_ID> (782)
782

>  <Formula> (782)
C20H21N5O3

>  <MolWeight> (782)
379.41244

>  <COMPOUND_NAME> (782)
WAY-299804

>  <BAR_CODE_NO> (782)
3901689

$$$$
WAY-299818
csChFnd80/06171916322D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -0.3069   -0.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3069    0.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8724   -0.5828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2483   -0.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2621    0.7172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8793    0.7172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8724   -1.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4517   -0.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2483   -1.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8276   -0.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2621    1.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0621    0.5862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8793    1.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3069   -1.5552    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4276   -1.5759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0459    0.0808    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8276   -1.5621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4516    0.0515    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3069    1.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7483    1.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7138    1.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8 16  3  0  0  0  0
  9 17  1  0  0  0  0
 10 18  3  0  0  0  0
 11 19  1  0  0  0  0
 12 20  1  0  0  0  0
 20 21  1  0  0  0  0
  9 14  1  0  0  0  0
 13 19  2  0  0  0  0
M  END
>  <Mol_ID> (783)
783

>  <Formula> (783)
C15H14N4OS

>  <MolWeight> (783)
298.36286

>  <COMPOUND_NAME> (783)
WAY-299818

>  <BAR_CODE_NO> (783)
3901707

$$$$
WAY-299819
csChFnd80/06171916322D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.0349   -1.7653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6962   -2.7757    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0030    0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7245   -2.7343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3962   -1.7653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7245    1.1554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3867   -1.7653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3962    0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0858   -2.7343    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3867    0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6962    1.1554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1143    1.1933    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.1659    0.5657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6962    3.1036    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2659    2.1243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1659    3.6933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
  7 10  2  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <Mol_ID> (784)
784

>  <Formula> (784)
C12H10ClNOS

>  <MolWeight> (784)
251.7319

>  <COMPOUND_NAME> (784)
WAY-299819

>  <BAR_CODE_NO> (784)
3901708

$$$$
WAY-299821
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -1.0555   -0.2905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0555   -0.8111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5934   -0.0284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4934   -0.0284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5934   -1.0663    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4934   -1.0663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1555   -0.2663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5727    0.4889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9451   -0.2663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1555   -0.8111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5727   -1.6905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9451   -0.8111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2825    0.0095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2825   -1.1111    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7445   -0.2284    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2652    0.5337    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4307    0.1509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4307    0.6820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9066    0.9371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9756    0.9509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9066    1.4820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9756    1.4889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4307    1.7509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
 10 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
  7 10  1  0  0  0  0
  9 12  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (785)
785

>  <Formula> (785)
C18H16N2O3

>  <MolWeight> (785)
308.33124

>  <COMPOUND_NAME> (785)
WAY-299821

>  <BAR_CODE_NO> (785)
3901712

$$$$
WAY-299834
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.8621    0.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5621    0.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000    0.2655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8621    1.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5621   -0.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2621    0.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3552    0.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000    1.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2621   -1.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8621   -1.1345    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.9621    0.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1759    0.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9621   -0.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5759    0.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3379   -0.5345    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000    0.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0000   -1.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6379   -0.5345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8759    0.8862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0000   -1.8138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  9 13  2  0  0  0  0
 12 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  2  0  0  0  0
 17 20  2  0  0  0  0
  7  8  2  0  0  0  0
 11 13  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (786)
786

>  <Formula> (786)
C14H9ClN2O2S

>  <MolWeight> (786)
304.75146

>  <COMPOUND_NAME> (786)
WAY-299834

>  <BAR_CODE_NO> (786)
3901727

$$$$
WAY-299842
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   10.9816    1.2121    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    6.0816    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6825    5.3816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1326    5.3816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6825    8.1664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1326    4.0171    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7693    1.9121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4601    6.0816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6512    2.3737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2564    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    7.4816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4601    7.4816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1990    0.5478    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3294    6.0816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5470    1.2121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7693    3.3274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3294    3.3274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5470    4.0171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3294    1.9274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2426    5.3816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2426    8.1664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.0816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.4816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  2  1  0  0  0  0
  4  6  1  0  0  0  0
  5 11  1  0  0  0  0
  6 17  1  0  0  0  0
  7  1  1  0  0  0  0
  8  3  1  0  0  0  0
  9  1  2  0  0  0  0
 10  1  2  0  0  0  0
 11  2  1  0  0  0  0
 12  5  1  0  0  0  0
 13  1  1  0  0  0  0
 14  4  2  0  0  0  0
 15  7  1  0  0  0  0
 16  7  2  0  0  0  0
 17 18  2  0  0  0  0
 18 16  1  0  0  0  0
 19 15  2  0  0  0  0
 20  8  1  0  0  0  0
 21 12  1  0  0  0  0
 22 20  2  0  0  0  0
 23 21  2  0  0  0  0
 19 17  1  0  0  0  0
  8 12  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (787)
787

>  <Formula> (787)
C15H14N2O5S

>  <MolWeight> (787)
334.34706

>  <COMPOUND_NAME> (787)
WAY-299842

>  <BAR_CODE_NO> (787)
3901737

$$$$
WAY-299843-A
csChFnd80/06171916322D

 19 20  0  0  0  0  0  0  0  0999 V2000
    0.0828   -0.6828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8828   -0.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7172   -0.2241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0828   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6828   -0.6828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7172    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8621   -2.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6828   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4828   -0.2241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5172    1.1552    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0966    1.1552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4966   -2.0621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4828    0.7172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5172    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3172    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5241   -2.9828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3172    2.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1172    1.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1172    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  1  0  0  0  0
 12 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
  7  8  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (788)
788

>  <Formula> (788)
C14H20N2O3

>  <MolWeight> (788)
264.3202

>  <COMPOUND_NAME> (788)
WAY-299843-A

>  <BAR_CODE_NO> (788)
3901740

$$$$
WAY-299847
csChFnd80/06171916322D

 34 38  0  0  0  0  0  0  0  0999 V2000
    0.0243    0.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9757    0.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9485    0.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0243   -0.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6274    0.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9757    1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6002    0.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9485    1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6726   -1.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6274   -1.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2688    0.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6274   -0.6724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6274    1.5759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3274    1.5793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2485    0.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6002   -0.6724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6002    1.5759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3002    1.5759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6726   -1.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6274   -1.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2688    1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9136    0.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2485    1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9002    0.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0243   -2.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9136    1.5759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5653    0.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9002    1.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5485    0.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0312   -2.9586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5653    1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5485    1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6136   -3.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6830   -3.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  2  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  2  0  0  0  0
  9 19  2  0  0  0  0
 10 20  1  0  0  0  0
 11 21  1  0  0  0  0
 11 22  2  0  0  0  0
 15 23  2  0  0  0  0
 15 24  1  0  0  0  0
 19 25  1  0  0  0  0
 21 26  2  0  0  0  0
 22 27  1  0  0  0  0
 23 28  1  0  0  0  0
 24 29  2  0  0  0  0
 25 30  1  0  0  0  0
 26 31  1  0  0  0  0
 28 32  2  0  0  0  0
 30 33  1  0  0  0  0
 30 34  1  0  0  0  0
 13 21  1  0  0  0  0
 17 23  1  0  0  0  0
 20 25  2  0  0  0  0
 27 31  2  0  0  0  0
 29 32  1  0  0  0  0
M  END
>  <Mol_ID> (789)
789

>  <Formula> (789)
C27H21NO6

>  <MolWeight> (789)
455.45874

>  <COMPOUND_NAME> (789)
WAY-299847

>  <BAR_CODE_NO> (789)
3901745

$$$$
WAY-299851
csChFnd80/06171916322D

 16 18  0  0  0  0  0  0  0  0999 V2000
    0.2310    0.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4862    0.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9517    0.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2310    1.2621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4862   -0.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2034    0.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9517   -0.8172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6690    0.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6621    1.2517    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.2276   -1.2276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000   -1.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9138    0.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6655   -1.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2448    1.8379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9138   -0.8103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6345    0.4310    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
  7 10  2  0  0  0  0
  8  9  1  0  0  0  0
 12 15  2  0  0  0  0
M  END
>  <Mol_ID> (790)
790

>  <Formula> (790)
C13H12BrNO

>  <MolWeight> (790)
278.14448

>  <COMPOUND_NAME> (790)
WAY-299851

>  <BAR_CODE_NO> (790)
3901751

$$$$
WAY-299857
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -0.2448    0.0483    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.2655    0.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7655    0.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2483   -0.5379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7759    0.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2690    0.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8310    0.9310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3069    0.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7586   -0.8276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2828    0.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7724   -0.5448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7724    1.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4138    1.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7034    0.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7586   -1.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2655   -0.5345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2828    0.9207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7931    0.0414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2690   -1.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7931    1.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3000    0.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2724   -2.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7759   -1.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3000    0.9207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
  9 16  2  0  0  0  0
 10 17  1  0  0  0  0
 10 18  1  0  0  0  0
 15 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  2  0  0  0  0
 19 22  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  2  0  0  0  0
 12 17  2  0  0  0  0
 13 14  2  0  0  0  0
 21 24  1  0  0  0  0
M  END
>  <Mol_ID> (791)
791

>  <Formula> (791)
C19H20N2O2S

>  <MolWeight> (791)
340.4393

>  <COMPOUND_NAME> (791)
WAY-299857

>  <BAR_CODE_NO> (791)
3901762

$$$$
WAY-299864
csChFnd80/06171916322D

 23 27  0  0  0  0  0  0  0  0999 V2000
   -0.1207    0.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1207   -0.6724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7966    0.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0414    0.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7966   -1.2069    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.0414   -1.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7207    0.3931    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.7966    1.9931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9586    0.3931    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.0414    1.9931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7207   -0.6724    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.7966   -2.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9586   -0.6724    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.7310    0.7276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1207    2.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9690    0.7276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7310   -1.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1207   -2.8069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7207   -2.8069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9690   -1.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3483   -0.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1207    3.6034    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.5897   -0.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
  9 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
 12 19  2  0  0  0  0
 13 20  1  0  0  0  0
 14 21  2  0  0  0  0
 15 22  1  0  0  0  0
 16 23  2  0  0  0  0
  7 11  1  0  0  0  0
  9 13  1  0  0  0  0
 10 15  2  0  0  0  0
 17 21  1  0  0  0  0
 20 23  1  0  0  0  0
M  END
>  <Mol_ID> (792)
792

>  <Formula> (792)
C19H18ClNO2

>  <MolWeight> (792)
327.80472

>  <COMPOUND_NAME> (792)
WAY-299864

>  <BAR_CODE_NO> (792)
3901772

$$$$
WAY-299867
csChFnd80/06171916322D

 21 24  0  0  0  0  0  0  0  0999 V2000
   -1.9176   -0.3726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0093   -1.6976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4801   -2.0851    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0968   -1.7309    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3426   -2.4393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0676   -2.0559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4926   -2.4018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0093   -0.5726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4801   -0.8768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0968   -0.5976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9176    0.8191    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7240    1.4066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0657    1.4066    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2199    2.3149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1907    0.4774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6468    1.4066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6532    1.4066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1574    2.3149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1574    0.4774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1949    2.4482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1949    0.3524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  7  4  1  0  0  0  0
  8  1  1  0  0  0  0
  9  1  1  0  0  0  0
 10  1  1  0  0  0  0
 11  1  1  0  0  0  0
 12 15  1  0  0  0  0
 13 12  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  2  0  0  0  0
 16 11  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 17  1  0  0  0  0
 20 13  1  0  0  0  0
 21 13  1  0  0  0  0
  7  3  1  0  0  0  0
  6  2  1  0  0  0  0
  5  2  1  0  0  0  0
 12 14  2  0  0  0  0
M  END
>  <Mol_ID> (793)
793

>  <Formula> (793)
C16H25N5

>  <MolWeight> (793)
287.4032

>  <COMPOUND_NAME> (793)
WAY-299867

>  <BAR_CODE_NO> (793)
3901775

$$$$
WAY-299870
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    1.2552    1.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2138    1.2931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4069    1.0241    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9552    2.6138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3793    0.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9931    1.9517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4241    1.6621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0586    2.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3621   -0.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9759    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3724    1.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6931    3.4241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1414    0.5931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4931    0.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4448   -0.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6724   -0.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5724   -1.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8069   -1.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7448   -1.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8586   -2.8241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0379   -3.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7931   -3.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0862   -3.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6241   -2.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  2  0  0  0  0
  9 13  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
  7  8  1  0  0  0  0
 10 13  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (794)
794

>  <Formula> (794)
C18H23N3O2S

>  <MolWeight> (794)
345.45912

>  <COMPOUND_NAME> (794)
WAY-299870

>  <BAR_CODE_NO> (794)
3901780

$$$$
WAY-299873
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.0586    0.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6621    0.5103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0552    1.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7759    0.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6586   -0.3103    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3828    0.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3828    1.7586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7724    2.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4931    0.9310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6517   -1.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0552   -0.7241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3724   -0.7241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4931    1.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3586   -1.5483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0655   -1.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2069    2.1759    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.3552   -2.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0759   -1.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0724   -2.3586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9241    1.7655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2069    3.0034    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.6379   -2.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6310   -3.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  5 12  2  0  0  0  0
  8 13  2  0  0  0  0
 10 14  1  0  0  0  0
 10 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  2  0  0  0  0
 16 21  1  0  0  0  0
 17 22  1  0  0  0  0
 22 23  1  0  0  0  0
  6  7  2  0  0  0  0
  9 13  1  0  0  0  0
 19 22  2  0  0  0  0
M  END
>  <Mol_ID> (795)
795

>  <Formula> (795)
C15H13N3O4S

>  <MolWeight> (795)
331.34642

>  <COMPOUND_NAME> (795)
WAY-299873

>  <BAR_CODE_NO> (795)
3901784

$$$$
WAY-299881
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
    0.4075    0.3867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4075    1.4488    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3799    0.0660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5201   -0.1340    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5201    1.9660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3799    1.7660    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7075   -0.9340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9799    0.9143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4201    0.3867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4201    1.4488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5201    3.0143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7282   -1.1512    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0075   -1.6857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3201   -0.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5580    3.0143    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5201    4.0488    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.5420    3.0143    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282   -0.3857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8799   -2.1719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3201   -1.1719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2201    0.3867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4420   -0.4512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7799   -2.6719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2201   -1.6857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1201   -0.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0420   -1.2857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7282   -2.2719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1201   -1.1719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0201   -1.6857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0201   -2.7340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  2  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
 12 19  1  0  0  0  0
 14 20  2  0  0  0  0
 14 21  1  0  0  0  0
 18 22  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  1  0  0  0  0
 21 25  2  0  0  0  0
 22 26  1  0  0  0  0
 23 27  1  0  0  0  0
 24 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
  6  8  2  0  0  0  0
  9 10  1  0  0  0  0
 25 28  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (796)
796

>  <Formula> (796)
C21H21F3N4O2

>  <MolWeight> (796)
418.4122496

>  <COMPOUND_NAME> (796)
WAY-299881

>  <BAR_CODE_NO> (796)
3901794

$$$$
WAY-299884
csChFnd80/06171916322D

 21 24  0  0  0  0  0  0  0  0999 V2000
   -0.0719   -0.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2143    0.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3478    0.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0719   -1.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4350    1.7897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5453   -0.3172    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5995   -0.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3478   -2.6345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2384   -2.6345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8798    2.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5764    0.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5995   -1.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8857    0.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6695    3.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0453    0.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8857   -2.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1719   -0.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1557    3.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8350    1.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1719   -1.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4409    0.3414    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
  8 12  1  0  0  0  0
 10 11  2  0  0  0  0
 17 20  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (797)
797

>  <Formula> (797)
C16H8ClNO2S

>  <MolWeight> (797)
313.75822

>  <COMPOUND_NAME> (797)
WAY-299884

>  <BAR_CODE_NO> (797)
3901797

$$$$
WAY-299885
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -1.3690    1.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0552    1.1931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3724    0.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0828    1.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0655    0.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6448    1.7724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6552   -0.0345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0828   -0.0345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7931    1.1966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0828    2.4414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7690   -0.0448    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4448    1.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4310    2.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7931    0.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0828   -0.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7552   -0.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5069   -0.0414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4655   -1.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1690   -0.8828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4655   -2.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8897   -1.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1690   -2.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8897   -2.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6034   -2.5345    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
 11 16  1  0  0  0  0
 14 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
  5  7  2  0  0  0  0
  9 14  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (798)
798

>  <Formula> (798)
C16H17ClN4O2S

>  <MolWeight> (798)
364.84978

>  <COMPOUND_NAME> (798)
WAY-299885

>  <BAR_CODE_NO> (798)
3901798

$$$$
WAY-299887
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -1.2862   -0.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5862   -0.3034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9034   -0.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2241    0.7552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0862    0.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4034   -1.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6034   -0.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8034   -1.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4655    0.9138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6759    0.2138    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9448   -1.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2034   -0.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4241   -1.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1138    0.8552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1241   -1.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8759    0.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7448   -1.8655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2966    1.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2345    0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0759    1.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9448    2.1345    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.9966    0.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4138    0.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1759    0.6759    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
 10 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  2  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
  5  9  2  0  0  0  0
 13 15  2  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (799)
799

>  <Formula> (799)
C17H15Cl2N3OS

>  <MolWeight> (799)
380.2915

>  <COMPOUND_NAME> (799)
WAY-299887

>  <BAR_CODE_NO> (799)
3901801

$$$$
WAY-299890
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    7.2775   -4.4885    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.5065   -3.4605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0380   -3.4910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7585   -4.4885    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5065   -7.5215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2085  -10.5445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7865   -4.4885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2085   -8.5190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2775   -6.5140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7865   -6.4835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4990   -5.4960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0380   -1.4655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4990   -7.5215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4580  -11.5215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9490  -11.5520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.5215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -5.5065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0255   -3.4605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2595   -4.4885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0255   -7.5215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9490  -13.5675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2850   -4.4885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2850   -6.5140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  9  1  0  0  0  0
  6  8  1  0  0  0  0
  7  2  1  0  0  0  0
  8 13  1  0  0  0  0
  9  1  1  0  0  0  0
 10  5  1  0  0  0  0
 11  4  1  0  0  0  0
 12  3  2  0  0  0  0
 13 11  2  0  0  0  0
 14  6  2  0  0  0  0
 15  6  1  0  0  0  0
 16 17  1  0  0  0  0
 17 19  2  0  0  0  0
 18  7  2  0  0  0  0
 19 11  1  0  0  0  0
 20 10  2  0  0  0  0
 21 15  1  0  0  0  0
 22 18  1  0  0  0  0
 23 20  1  0  0  0  0
  7 10  1  0  0  0  0
 22 23  2  0  0  0  0
  8 16  2  0  0  0  0
M  END
>  <Mol_ID> (800)
800

>  <Formula> (800)
C17H15NO5

>  <MolWeight> (800)
313.3047

>  <COMPOUND_NAME> (800)
WAY-299890

>  <BAR_CODE_NO> (800)
3901804

$$$$
WAY-299893
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
    1.5312   -0.0932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7795   -0.0932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9657   -0.7070    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9657    0.5068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4002   -0.7449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4036    0.5551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6795   -0.4760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6795    0.2723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3481   -0.7449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3446    0.5551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3312   -0.8553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3312    0.6447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7205   -0.0898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9795   -0.4829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9795    0.2689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4688   -0.0898    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8446    0.5620    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4964    0.1861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1964    0.9447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2205    1.2102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1481    0.5689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4964   -0.5691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7964    0.1861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1481   -0.9449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7964   -0.5691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 15  2  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 17 20  2  0  0  0  0
 18 21  1  0  0  0  0
 18 22  2  0  0  0  0
 21 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
  7  8  2  0  0  0  0
 10 13  2  0  0  0  0
 14 15  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (801)
801

>  <Formula> (801)
C19H14N2O3S

>  <MolWeight> (801)
350.39106

>  <COMPOUND_NAME> (801)
WAY-299893

>  <BAR_CODE_NO> (801)
3901808

$$$$
WAY-299895
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -0.7931    0.4276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5172    0.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0759    0.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7897   -0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5207    1.6759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2345    0.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0793    1.6793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6379    0.4379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -0.8172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2345    2.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9483    0.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3483    0.8552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5103   -1.6379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9483    1.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0655    0.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3448    1.6793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1759   -2.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8483   -2.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0690   -0.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7724    0.8621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9310   -2.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1103   -2.9103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7828   -0.7897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4897    0.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4966   -0.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2069   -0.7828    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  0  0  0  0
 15 19  2  0  0  0  0
 15 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  2  0  0  0  0
 23 25  2  0  0  0  0
 25 26  1  0  0  0  0
  5  7  1  0  0  0  0
 11 14  2  0  0  0  0
 21 22  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (802)
802

>  <Formula> (802)
C20H21ClN4O

>  <MolWeight> (802)
368.85994

>  <COMPOUND_NAME> (802)
WAY-299895

>  <BAR_CODE_NO> (802)
3901811

$$$$
WAY-299908
csChFnd80/06171916322D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -2.3655    0.3004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1517    1.0176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    1.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3655   -1.1030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0690    0.3211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1586    2.4176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7793    0.3073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5793    2.4038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5828   -1.7962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2793    1.0314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7862   -1.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5931   -3.1996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4966    0.3280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2724    2.4314    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4862   -1.0720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7034    1.0211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6931   -1.7755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9103    0.3245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9069   -1.0824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1172   -1.7824    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  7 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  2  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 19 20  1  0  0  0  0
  9 11  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (803)
803

>  <Formula> (803)
C16H13FO3

>  <MolWeight> (803)
272.2710232

>  <COMPOUND_NAME> (803)
WAY-299908

>  <BAR_CODE_NO> (803)
3901827

$$$$
WAY-299910
csChFnd80/06171916322D

 28 30  0  0  0  0  0  0  0  0999 V2000
   -0.2793   -0.6966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4345   -0.2828    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.2793   -1.5207    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9862   -0.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4345    0.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1448   -0.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000   -1.9345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5448   -1.5069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1241   -2.2207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9862    0.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2793    0.9552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8586   -0.2828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1448   -1.5207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9862   -2.7448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7034   -1.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2793    1.7793    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5724   -0.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7138   -3.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4172   -1.9207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4379    2.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6862    2.4931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1034    1.7793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4241   -2.7448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4241    3.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1448    1.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1517    3.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8517    2.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8621    3.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  3  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  2  0  0  0  0
  7 14  1  0  0  0  0
  7 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 16 21  2  0  0  0  0
 16 22  2  0  0  0  0
 18 23  1  0  0  0  0
 20 24  1  0  0  0  0
 20 25  2  0  0  0  0
 24 26  2  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 10 11  1  0  0  0  0
 19 23  2  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <Mol_ID> (804)
804

>  <Formula> (804)
C18H20N2O6S2

>  <MolWeight> (804)
424.4912

>  <COMPOUND_NAME> (804)
WAY-299910

>  <BAR_CODE_NO> (804)
3901829

$$$$
WAY-299917
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -0.8345    0.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5966    0.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1379   -0.0862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6138    1.1621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7276   -0.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2379    0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5034    0.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2103    1.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4966   -1.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1483   -1.3207    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.0103    0.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2966    0.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1379   -0.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5034   -0.5828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8759    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3034   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6759    0.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8897   -0.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6862   -0.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  9 13  1  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 18 19  1  0  0  0  0
  7  8  1  0  0  0  0
 11 13  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (805)
805

>  <Formula> (805)
C15H11ClN2O

>  <MolWeight> (805)
270.71364

>  <COMPOUND_NAME> (805)
WAY-299917

>  <BAR_CODE_NO> (805)
3901840

$$$$
WAY-299950
csChFnd80/06171916322D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -5.3304    0.2469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6308   -0.9657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2784   -0.6859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0917    0.7132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3976    1.2729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9259    0.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5734    0.3868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1262   -0.8258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5253   -0.5459    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6652    0.8531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4060    1.4128    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0176    1.2262    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1262   -2.2249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8778   -0.9191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0904   -0.2194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3030   -0.9191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0904    1.1796    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  1  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  7 11  1  0  0  0  0
 10 12  2  0  0  0  0
  8 13  2  0  0  0  0
  9 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
M  END
>  <Mol_ID> (806)
806

>  <Formula> (806)
C10H7NO4S2

>  <MolWeight> (806)
269.29688

>  <COMPOUND_NAME> (806)
WAY-299950

>  <BAR_CODE_NO> (806)
3901878

$$$$
WAY-300283
csChFnd80/06171916322D

 33 37  0  0  0  0  0  0  0  0999 V2000
    0.0104    0.1175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0104    0.6589    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5104   -0.0411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4447   -0.1583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4447    0.9175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5104    0.8175    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7104   -0.5825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8104    0.3969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240    0.0969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240    0.6589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4447    1.4589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2277   -0.7066    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3553   -0.9825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3723   -0.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0898    1.4589    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9896    1.4589    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4447    1.9969    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6035   -0.3204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3794   -1.2307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8447    0.0969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3723   -0.7031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1242   -0.4411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4415    0.1934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9104   -1.3514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2896   -0.1825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8240   -0.9825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2794   -0.9514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4794   -0.0514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8104    0.5796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2896   -0.7204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3242    0.4589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7447   -1.0204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2344   -0.7825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  2  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
 12 19  1  0  0  0  0
 14 20  1  0  0  0  0
 14 21  2  0  0  0  0
 18 22  2  0  0  0  0
 18 23  1  0  0  0  0
 19 24  1  0  0  0  0
 20 25  2  0  0  0  0
 21 26  1  0  0  0  0
 22 27  1  0  0  0  0
 22 28  1  0  0  0  0
 23 29  2  0  0  0  0
 25 30  1  0  0  0  0
 28 31  2  0  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
  6  8  2  0  0  0  0
  9 10  1  0  0  0  0
 24 27  1  0  0  0  0
 26 30  2  0  0  0  0
 29 31  1  0  0  0  0
M  END
>  <Mol_ID> (807)
807

>  <Formula> (807)
C24H19F3N4O2

>  <MolWeight> (807)
452.4284696

>  <COMPOUND_NAME> (807)
WAY-300283

>  <BAR_CODE_NO> (807)
3902297

$$$$
WAY-300289
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    1.1724    1.4034    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.1345    0.7241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8552    0.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8724    2.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3966    1.2621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0552   -0.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8276    1.5034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4552   -0.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0345    0.6034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3655    2.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0448   -1.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0724   -1.1759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2724   -1.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8552   -0.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0034    3.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1276   -2.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0793   -0.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4724   -1.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2276    3.6621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2034   -2.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1793   -0.9586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2448   -2.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3655   -2.7138    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  8  2  0  0  0  0
  3  9  1  0  0  0  0
  4 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  2  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  2  0  0  0  0
 13 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  2  0  0  0  0
 17 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
  7 10  2  0  0  0  0
 14 18  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (808)
808

>  <Formula> (808)
C18H17BrN2O2

>  <MolWeight> (808)
373.24378

>  <COMPOUND_NAME> (808)
WAY-300289

>  <BAR_CODE_NO> (808)
3902307

$$$$
WAY-300337
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -0.7479    0.0494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7479   -0.9196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1280    0.5804    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5824    0.5425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5824   -1.4127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9797    1.0735    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3686    1.4528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6383   -0.2747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4548    0.0494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5824    1.5666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5444   -2.4368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4927   -0.9196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9797    2.0597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6720   -2.8920    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3789   -2.9678    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1452    2.5563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8521    2.5563    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1452   -2.3609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1452    3.5425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8901    3.5425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0694   -1.3747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0176   -2.8161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9797    4.0356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9039   -0.8437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8521   -2.3058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7763   -1.2989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6521   -0.7851    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  2  0  0  0  0
 13 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  2  0  0  0  0
 18 21  1  0  0  0  0
 18 22  2  0  0  0  0
 19 23  2  0  0  0  0
 21 24  2  0  0  0  0
 22 25  1  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
  9 12  2  0  0  0  0
 20 23  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <Mol_ID> (809)
809

>  <Formula> (809)
C19H16BrN3O3S

>  <MolWeight> (809)
446.31764

>  <COMPOUND_NAME> (809)
WAY-300337

>  <BAR_CODE_NO> (809)
3902365

$$$$
WAY-300342
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -0.5552    0.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2655    1.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4862    0.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2345   -0.0483    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6448    1.3931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8448    2.1517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7655   -0.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9448    0.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2034    2.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1172   -1.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6966   -0.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8655    0.2138    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1448    2.0828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3862   -2.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9552   -1.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7241    2.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5345    1.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3172   -2.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6448    2.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4931    1.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6069   -3.3655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0552    1.8724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5345   -3.5759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9552   -4.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  2  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
  5  8  1  0  0  0  0
 15 18  2  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (810)
810

>  <Formula> (810)
C17H21N3O2S2

>  <MolWeight> (810)
363.49754

>  <COMPOUND_NAME> (810)
WAY-300342

>  <BAR_CODE_NO> (810)
3902373

$$$$
WAY-300362
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.6213    0.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2661    0.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6213   -0.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0235    0.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9213    0.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2592    1.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0235   -0.7724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2730   -0.7724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6787    0.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9213   -0.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5730    0.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9006    1.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6787   -0.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5765   -0.7586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5592    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3270   -0.7759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9787   -0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6270   -0.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9787    0.3483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6270   -1.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2787   -0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2718   -1.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  2  0  0  0  0
 10 14  2  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 18 22  1  0  0  0  0
  8 10  1  0  0  0  0
  9 13  1  0  0  0  0
 12 15  1  0  0  0  0
M  END
>  <Mol_ID> (811)
811

>  <Formula> (811)
C18H20O4

>  <MolWeight> (811)
300.349

>  <COMPOUND_NAME> (811)
WAY-300362

>  <BAR_CODE_NO> (811)
3902405

$$$$
WAY-300365
csChFnd80/06171916322D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -1.0672   -0.3853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1297   -0.9978    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1880   -0.3853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1880    0.8231    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0672    0.8231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1297    1.4397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0037   -0.9978    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0620   -0.3853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1287   -0.9978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2630   -0.9978    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1297    2.6647    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1912   -0.4019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0620    0.8106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1287    1.4397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1287   -2.2436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1912    0.8106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2662   -1.0186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  1  2  0  0  0  0
  6  5  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  3  2  0  0  0  0
 11  6  2  0  0  0  0
 12  9  1  0  0  0  0
 13  8  1  0  0  0  0
 14 13  2  0  0  0  0
 15  9  1  0  0  0  0
 16 14  1  0  0  0  0
 17 12  1  0  0  0  0
  4  6  1  0  0  0  0
 16 12  2  0  0  0  0
M  END
>  <Mol_ID> (812)
812

>  <Formula> (812)
C12H13N3O2

>  <MolWeight> (812)
231.25052

>  <COMPOUND_NAME> (812)
WAY-300365

>  <BAR_CODE_NO> (812)
3902408

$$$$
WAY-300406
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -1.0517   -1.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4931   -0.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000   -0.7276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9276   -1.7069    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0310   -1.1966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3931   -0.1345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5793   -0.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000   -1.7828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6241   -1.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0276    0.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1138    0.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0207   -2.3793    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8483   -0.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0138    0.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1276    0.8828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4690   -0.3828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4207    0.0172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5621    1.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7069    0.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5517    1.8034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3483    0.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3207    0.7172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0931    2.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6000    0.8655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7207   -0.2448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5724    1.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2069    1.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  2  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  2  0  0  0  0
 14 18  1  0  0  0  0
 16 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  2  0  0  0  0
 20 23  1  0  0  0  0
 21 24  2  0  0  0  0
 21 25  1  0  0  0  0
 22 26  1  0  0  0  0
 24 27  1  0  0  0  0
  5  8  1  0  0  0  0
 15 18  2  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <Mol_ID> (813)
813

>  <Formula> (813)
C19H16N2O4S2

>  <MolWeight> (813)
400.47134

>  <COMPOUND_NAME> (813)
WAY-300406

>  <BAR_CODE_NO> (813)
3902454

$$$$
WAY-300437
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -0.6897   -0.3897    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.0379   -0.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6897    0.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3310   -0.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0379   -1.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6103   -0.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0379    0.7448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3379    0.7448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3310   -1.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9793   -0.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6897   -1.8897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6103   -1.8793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2621   -0.7552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6103    0.3690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0379    1.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3379    1.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9759   -1.8793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6310   -0.0069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9103   -0.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6897    1.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5207    1.9931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5621   -0.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5276    2.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2103    2.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2103   -0.3793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8621   -0.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  2  0  0  0  0
  7 15  2  0  0  0  0
  8 16  1  0  0  0  0
  9 17  1  0  0  0  0
 10 18  3  0  0  0  0
 13 19  1  0  0  0  0
 15 20  1  0  0  0  0
 15 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
 25 26  1  0  0  0  0
  9 11  1  0  0  0  0
 16 20  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (814)
814

>  <Formula> (814)
C18H18N2O6

>  <MolWeight> (814)
358.34532

>  <COMPOUND_NAME> (814)
WAY-300437

>  <BAR_CODE_NO> (814)
3902497

$$$$
WAY-300460
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -1.1582    0.5143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2789    0.1419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4651   -0.4477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7823    1.6419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2789   -1.0408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2892    0.7523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1582   -1.3995    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7349   -0.4477    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3866    1.8971    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5720    2.5316    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2892   -1.6339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3168    0.1419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3280   -1.4615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1763    1.0074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7349    3.0074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3168   -1.0408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5142   -1.4615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7349   -2.4857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3142    1.2661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0548    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1073   -0.4477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3039   -2.3512    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.2521   -0.7063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3728   -1.8753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  0  0  0  0
 11 16  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  2  0  0  0  0
 14 19  1  0  0  0  0
 15 20  1  0  0  0  0
 17 21  2  0  0  0  0
 17 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
  5  7  1  0  0  0  0
 12 16  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (815)
815

>  <Formula> (815)
C18H22N2O2S2

>  <MolWeight> (815)
362.50948

>  <COMPOUND_NAME> (815)
WAY-300460

>  <BAR_CODE_NO> (815)
3902525

$$$$
WAY-300486
csChFnd80/06171916322D

 23 24  0  0  0  0  0  0  0  0999 V2000
   -1.2650    1.1275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2236    0.5275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2650    2.3102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2856    0.5275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2236   -0.6553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7971    1.1275    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2236    2.9068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2856    2.9068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3132    1.1275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7971   -1.2553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7971    2.3102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3132    2.3102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8350   -1.8519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1201   -2.6967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4040   -0.2139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7213    1.5481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5592    3.2378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4350   -0.8208    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.8764   -2.4587    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2385   -2.8932    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.9281   -3.2932    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7201   -3.7277    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1512   -2.1001    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  8 12  2  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
 13 18  1  0  0  0  0
 13 19  1  0  0  0  0
 13 20  1  0  0  0  0
 14 21  1  0  0  0  0
 14 22  1  0  0  0  0
 14 23  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <Mol_ID> (816)
816

>  <Formula> (816)
C15H15F6NO

>  <MolWeight> (816)
339.2761192

>  <COMPOUND_NAME> (816)
WAY-300486

>  <BAR_CODE_NO> (816)
3902561

$$$$
WAY-300488
csChFnd80/06171916322D

 14 15  0  0  0  0  0  0  0  0999 V2000
    1.0341   -0.9553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5141   -0.6073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5511   -0.6073    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7281   -0.0403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3311   -0.0403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0281   -1.5613    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4341    0.4727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1749    0.4727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3749    0.4727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4749   -0.0403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4749    1.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0749    1.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0749   -0.0403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9719    0.4727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8  7  1  0  0  0  0
 12  9  2  0  0  0  0
 10  8  1  0  0  0  0
  8 11  2  0  0  0  0
 12 11  1  0  0  0  0
 13 10  2  0  0  0  0
 14  9  1  0  0  0  0
  5  4  2  0  0  0  0
 13  9  1  0  0  0  0
M  END
>  <Mol_ID> (817)
817

>  <Formula> (817)
C11H12N2S

>  <MolWeight> (817)
204.29138

>  <COMPOUND_NAME> (817)
WAY-300488

>  <BAR_CODE_NO> (817)
3902563

$$$$
WAY-300504
csChFnd80/06171916322D

 22 25  0  0  0  0  0  0  0  0999 V2000
    0.1034   -0.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5483   -0.6517    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.5448    0.1000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.8517   -0.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0828   -1.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0690    0.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2241    0.3759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2310   -0.9103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8310   -1.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8241    0.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9690    0.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3586   -0.6414    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.3552    0.1103    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.3448    1.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3483   -0.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0069   -0.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0966    1.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9655    1.6897    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0966   -0.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5448    0.2759    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.5448   -0.7862    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4724    0.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  2  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  2  0  0  0  0
 16 20  1  0  0  0  0
 16 21  1  0  0  0  0
 17 22  2  0  0  0  0
  2  3  1  0  0  0  0
 12 13  1  0  0  0  0
 13 16  1  0  0  0  0
 19 22  1  0  0  0  0
M  END
>  <Mol_ID> (818)
818

>  <Formula> (818)
C17H18Cl3NO

>  <MolWeight> (818)
358.68992

>  <COMPOUND_NAME> (818)
WAY-300504

>  <BAR_CODE_NO> (818)
3902589

$$$$
WAY-300534
csChFnd80/06171916322D

 28 30  0  0  0  0  0  0  0  0999 V2000
   -1.1379   -0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8690    0.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8172   -0.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5586   -0.8276    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1897    0.2724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3172    0.8310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9966   -1.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0103   -0.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2103    0.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6966   -1.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5069   -1.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6621   -0.7172    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9034    0.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8690   -2.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6966   -2.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2103    0.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3690   -2.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5793   -2.2897    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.9103    0.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3034    0.6621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2103   -0.5276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9828    1.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3931    1.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2724    1.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0828    2.5207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0931    1.8207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9828    1.9931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3828    2.5828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  2  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  2  0  0  0  0
 23 26  1  0  0  0  0
 24 27  1  0  0  0  0
 25 28  1  0  0  0  0
  5  8  1  0  0  0  0
 15 17  2  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <Mol_ID> (819)
819

>  <Formula> (819)
C20H17BrN2O3S2

>  <MolWeight> (819)
477.39458

>  <COMPOUND_NAME> (819)
WAY-300534

>  <BAR_CODE_NO> (819)
3902631

$$$$
WAY-300540
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
    1.7948    1.2660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7895    0.4428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4986    0.0284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2136    0.4361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2149    1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5051    1.6731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7829    0.0576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7871   -0.7674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0786   -1.1812    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3615   -0.7746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3573    0.0504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0703    0.4688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4921    0.4728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2100    0.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2102   -0.7684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4964   -1.1802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3597    0.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0719    0.0382    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0841    1.6872    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3631    1.2809    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0673    1.2938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3503   -1.1917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0839   -2.0062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3746   -2.4174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3760   -3.2424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3406   -2.0061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4963    2.2785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6671    2.2785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 13 14  2  0  0  0  0
  1  2  2  0  0  0  0
 14 15  1  0  0  0  0
  3  4  2  0  0  0  0
 15 16  2  0  0  0  0
 16  8  1  0  0  0  0
 11 17  1  0  0  0  0
 17 18  1  0  0  0  0
  4  5  1  0  0  0  0
  2  3  1  0  0  0  0
  5  6  2  0  0  0  0
 17 20  2  0  0  0  0
 18  2  1  0  0  0  0
  1 19  1  0  0  0  0
 19 20  1  0  0  0  0
  7 12  1  0  0  0  0
 12 21  1  0  0  0  0
  8  9  1  0  0  0  0
 10 22  2  0  0  0  0
  9 10  1  0  0  0  0
  9 23  1  0  0  0  0
 10 11  1  0  0  0  0
 23 24  1  0  0  0  0
 11 12  2  0  0  0  0
 24 25  1  0  0  0  0
  6  1  1  0  0  0  0
 24 26  1  0  0  0  0
  7 13  1  0  0  0  0
 19 27  2  0  0  0  0
  7  8  2  0  0  0  0
 19 28  2  0  0  0  0
M  END
>  <Mol_ID> (820)
820

>  <Formula> (820)
C20H19N3O4S

>  <MolWeight> (820)
397.44756

>  <COMPOUND_NAME> (820)
WAY-300540

>  <BAR_CODE_NO> (820)
3932639

$$$$
WAY-300581
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -1.2276    0.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5793    0.7828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8793    0.7931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2276   -0.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0690    0.4103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5793    1.5310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5276    0.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8793   -0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7172    0.7931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0724   -0.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5276   -0.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1793    0.7828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3690    0.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7207   -0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3310   -0.9000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.3690   -0.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3310   -1.6517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9828   -0.5517    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.0172   -0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6690   -0.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6690    0.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3172   -0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3172    0.7931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9690   -0.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9690    0.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
  8 11  1  0  0  0  0
 14 16  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (821)
821

>  <Formula> (821)
C20H22N2O3

>  <MolWeight> (821)
338.40028

>  <COMPOUND_NAME> (821)
WAY-300581

>  <BAR_CODE_NO> (821)
3902696

$$$$
WAY-300597
csChFnd80/06171916322D

 24 25  0  0  0  0  0  0  0  0999 V2000
   -1.1364    0.2778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9614   -1.1097    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1364   -0.6389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7614    0.2778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9614    0.7486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7614   -0.6389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3239    0.7236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4886    1.1611    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3239   -1.0764    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0469   -0.5722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0094    0.3278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7761    0.8486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5614    0.7278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2594   -1.0389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5886    0.4278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4594   -0.6014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8886   -1.0014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6364    1.6611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2594   -1.9597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6469   -0.5014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7469    1.7736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3469    0.9486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5614   -1.0889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3906    0.3236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  2  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  3  0  0  0  0
  9  3  1  0  0  0  0
 10 14  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13  4  1  0  0  0  0
 14 16  1  0  0  0  0
 15 20  2  0  0  0  0
 16  9  1  0  0  0  0
 17 10  2  0  0  0  0
 18 13  2  0  0  0  0
 19 14  2  0  0  0  0
 20 17  1  0  0  0  0
 21 12  1  0  0  0  0
 22 15  1  0  0  0  0
 23  6  1  0  0  0  0
 24 13  1  0  0  0  0
  6  2  2  0  0  0  0
 15 12  1  0  0  0  0
M  END
>  <Mol_ID> (822)
822

>  <Formula> (822)
C17H14N2O4S

>  <MolWeight> (822)
342.36906

>  <COMPOUND_NAME> (822)
WAY-300597

>  <BAR_CODE_NO> (822)
3902716

$$$$
WAY-300599
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.4967    0.5964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4967   -0.6795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7240    0.9964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6036    1.2515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6036   -1.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7240   -1.0795    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4654   -0.0278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1516    2.2447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7139    0.5964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7139   -0.6795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6036   -2.6416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7723   -0.0278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4033    2.5033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2688    3.2136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8208    1.2378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8208   -1.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7139   -3.2657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4240   -1.1347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2551    1.5343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8208   -2.6416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7033   -1.1347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5171    1.8067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  2  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 11 17  2  0  0  0  0
 12 18  1  0  0  0  0
 13 19  1  0  0  0  0
 16 20  2  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
  6  7  1  0  0  0  0
  9 10  1  0  0  0  0
 17 20  1  0  0  0  0
M  END
>  <Mol_ID> (823)
823

>  <Formula> (823)
C17H17NO4

>  <MolWeight> (823)
299.32118

>  <COMPOUND_NAME> (823)
WAY-300599

>  <BAR_CODE_NO> (823)
3902718

$$$$
WAY-300628
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
    5.0025    9.5361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0025    8.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7149    8.3020    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4274    8.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4274    9.5361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7149    9.9530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7149   10.7785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4299   11.1913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1435   10.7742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8579   11.1863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8584   12.0127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1385   12.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4270   12.0109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7149    7.4765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    7.0638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4299    7.0638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4256    6.2372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1396    5.8245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8555    6.2373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8528    7.0671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1382    7.4760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7095    5.8264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7072    5.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5710    5.8255    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.5721    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  5  6  1  0  0  0  0
 12 13  2  0  0  0  0
 13  8  1  0  0  0  0
  3 14  1  0  0  0  0
  6  7  1  0  0  0  0
 14 15  2  0  0  0  0
  1  2  1  0  0  0  0
 14 16  1  0  0  0  0
  7  8  1  0  0  0  0
 16 17  2  0  0  0  0
  1  6  1  0  0  0  0
 17 18  1  0  0  0  0
  8  9  2  0  0  0  0
 18 19  2  0  0  0  0
  2  3  1  0  0  0  0
 19 20  1  0  0  0  0
  9 10  1  0  0  0  0
 20 21  2  0  0  0  0
 21 16  1  0  0  0  0
  3  4  1  0  0  0  0
 17 22  1  0  0  0  0
 10 11  2  0  0  0  0
 22 23  1  0  0  0  0
  4  5  1  0  0  0  0
 19 24  1  0  0  0  0
 11 12  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (824)
824

>  <Formula> (824)
C21H25NO2S

>  <MolWeight> (824)
355.4937

>  <COMPOUND_NAME> (824)
WAY-300628

>  <BAR_CODE_NO> (824)
3902762

$$$$
WAY-300633
csChFnd80/06171916322D

 18 19  0  0  0  0  0  0  0  0999 V2000
    0.1713    0.5042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1713   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8838    0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3421    0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8838   -0.4750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4329   -0.6875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1204   -0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1088    1.4542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7287   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7171    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7171   -0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6537   -1.5708    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.4671    0.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4671   -0.4958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2037    0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4162   -0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8829    0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4912    0.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  2  1  0  0  0  0
  7  6  1  0  0  0  0
  8  3  2  0  0  0  0
  9  7  2  0  0  0  0
 10  4  1  0  0  0  0
 11  4  1  0  0  0  0
 12  9  1  0  0  0  0
 13 10  1  0  0  0  0
 14 11  1  0  0  0  0
 15  7  1  0  0  0  0
 16  9  1  0  0  0  0
 17 15  2  0  0  0  0
 18 17  1  0  0  0  0
  5  4  1  0  0  0  0
 16 18  2  0  0  0  0
M  END
>  <Mol_ID> (825)
825

>  <Formula> (825)
C11H11BrN2O3S

>  <MolWeight> (825)
331.18564

>  <COMPOUND_NAME> (825)
WAY-300633

>  <BAR_CODE_NO> (825)
3902770

$$$$
WAY-300659
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    0.7516    0.0961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7516   -0.5039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7516    1.2305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2484   -0.5039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7516   -1.6453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7827    0.0961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2484    1.7961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7516    1.7961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2691    0.0961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7516   -2.2350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7551   -2.2350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7827    1.2305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2691    1.2305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2967   -0.5039    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7516   -3.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7551   -3.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8033    1.7961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2967    1.7961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7516   -3.9695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3104    1.2305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3104    1.7961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3104    2.9823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3311    1.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 17  2  0  0  0  0
 13 18  1  0  0  0  0
 15 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  2  0  0  0  0
 16 19  2  0  0  0  0
M  END
>  <Mol_ID> (826)
826

>  <Formula> (826)
C17H11ClO5

>  <MolWeight> (826)
330.71924

>  <COMPOUND_NAME> (826)
WAY-300659

>  <BAR_CODE_NO> (826)
3902804

$$$$
WAY-300662
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -1.7583    0.3240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0066    0.2861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2342   -0.2553    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1687    0.9551    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6687   -0.3829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5997    0.9171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9342    0.0068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8963    0.7551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0796   -0.4173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0756   -1.0139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1520    0.8827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5963   -0.3311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5204    1.1620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4934    0.2102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2238    0.0723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1859    0.8171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3244    0.2344    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7175   -0.3932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4658   -0.3691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3658   -1.0553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8175    0.2861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8658   -1.0070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5658    0.3102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4244    0.9240    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6175   -0.9829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9658   -0.3173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0141   -1.6173    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 12 15  2  0  0  0  0
 13 16  2  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  2  0  0  0  0
 23 26  2  0  0  0  0
 25 27  1  0  0  0  0
  7  8  2  0  0  0  0
 11 14  2  0  0  0  0
 15 16  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (827)
827

>  <Formula> (827)
C20H12Cl2N2O2S

>  <MolWeight> (827)
415.29248

>  <COMPOUND_NAME> (827)
WAY-300662

>  <BAR_CODE_NO> (827)
3902807

$$$$
WAY-300664
csChFnd80/06171916322D

 18 19  0  0  0  0  0  0  0  0999 V2000
    0.1897   -0.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6414   -1.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7103   -0.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6414    0.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5414   -1.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2034   -2.2034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1759    0.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5414    0.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0034   -0.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6966   -2.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7103    0.9345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0586    0.3345    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9759    0.9448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3310    1.6034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1897    1.0345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1586    1.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8690    0.9552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9586    1.6793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 16 18  2  0  0  0  0
  8  9  1  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <Mol_ID> (828)
828

>  <Formula> (828)
C12H12N2O3S

>  <MolWeight> (828)
264.30028

>  <COMPOUND_NAME> (828)
WAY-300664

>  <BAR_CODE_NO> (828)
3902810

$$$$
WAY-300675
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -1.2424    2.5561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6665    1.7768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3631    2.3802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7044    3.3147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0665    1.1113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5700    1.7561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2665    1.4733    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2956    2.9768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5872    3.2906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2424    0.2423    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0182    2.5147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4990    1.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4990    0.1457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2611   -0.3025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2611   -1.1887    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0335    0.1457    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2611   -2.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4990   -2.5301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0438   -2.5301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4990   -3.4232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2734   -2.0853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0438   -3.4232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8162   -2.0853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2611   -3.8715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2734   -1.1956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  2  0  0  0  0
 19 23  1  0  0  0  0
 20 24  2  0  0  0  0
 21 25  1  0  0  0  0
  5  7  1  0  0  0  0
  9 11  1  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <Mol_ID> (829)
829

>  <Formula> (829)
C20H20N2O3

>  <MolWeight> (829)
336.3844

>  <COMPOUND_NAME> (829)
WAY-300675

>  <BAR_CODE_NO> (829)
3902822

$$$$
WAY-300682
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -2.0899    0.0140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0864    0.8485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3726   -0.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8105   -0.3998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3623    1.2623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8036    1.2657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6623    0.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5381    0.0243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6485    0.8416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5243    0.8554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0619   -0.4136    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7895    0.0002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3623   -1.1239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4619   -1.1343    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4998   -0.4136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2136    0.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4998   -1.2343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9274   -0.4136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2205    0.8243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2101   -1.6377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9274   -1.2343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5101    1.2381    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9377    1.2278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  2  0  0  0  0
 12 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  2  0  0  0  0
 18 21  2  0  0  0  0
 19 22  1  0  0  0  0
 19 23  2  0  0  0  0
  7  9  2  0  0  0  0
  8 10  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (830)
830

>  <Formula> (830)
C15H14N2O5S

>  <MolWeight> (830)
334.34706

>  <COMPOUND_NAME> (830)
WAY-300682

>  <BAR_CODE_NO> (830)
3902831

$$$$
WAY-300684
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -0.2655    1.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2690    0.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9828    1.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1621    1.1552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4483   -0.0828    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9828   -0.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9828    2.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6931    1.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1621    0.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9897   -0.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6931    2.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4034    1.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8724   -0.0828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7034   -1.3207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2690   -1.3241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4034    2.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8724   -0.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1172    2.8034    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.5931   -1.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1483   -1.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5931   -2.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1483   -2.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8724   -2.5759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8724   -3.4069    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  2  0  0  0  0
 11 16  1  0  0  0  0
 13 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 17 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
 23 24  1  0  0  0  0
  5  9  1  0  0  0  0
 12 16  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (831)
831

>  <Formula> (831)
C17H12ClFN2O2S

>  <MolWeight> (831)
362.8057832

>  <COMPOUND_NAME> (831)
WAY-300684

>  <BAR_CODE_NO> (831)
3902833

$$$$
WAY-300693
csChFnd80/06171916322D

 24 27  0  0  0  0  0  0  0  0999 V2000
    2.0203   -0.4238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6927    0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0203   -1.9790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3548    0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6349   -0.4238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6927    1.8969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4755   -2.4445    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6927   -2.7411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5065   -0.6894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3548    1.8969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9763    0.3693    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6349   -1.9790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0203    2.6589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7617   -3.9618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9651   -0.2169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3280    1.1555    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1866    1.7037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7625   -0.9721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5927   -4.9549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3280    2.6969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6625    0.3865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6556    3.4624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9901    1.1658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9901    2.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  2  0  0  0  0
  7 14  1  0  0  0  0
  9 15  2  0  0  0  0
 11 16  1  0  0  0  0
 11 17  2  0  0  0  0
 11 18  2  0  0  0  0
 14 19  1  0  0  0  0
 16 20  1  0  0  0  0
 16 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
  7  9  1  0  0  0  0
  8 12  2  0  0  0  0
 10 13  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (832)
832

>  <Formula> (832)
C18H20N2O3S

>  <MolWeight> (832)
344.428

>  <COMPOUND_NAME> (832)
WAY-300693

>  <BAR_CODE_NO> (832)
3902843

$$$$
WAY-300697
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -0.5833   -4.3792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167   -3.9792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2375   -2.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5167   -3.1042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8500   -4.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0875   -3.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8333   -5.3167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667   -5.0875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2292   -1.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -2.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5542   -3.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1500   -3.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2375   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5375   -1.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9500   -1.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9167   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5167   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500    0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708   -4.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9667    0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5500    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7500   -4.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5500    1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9875    1.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4 10  1  0  0  0  0
  5  2  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  2  0  0  0  0
  8  1  2  0  0  0  0
  9  3  1  0  0  0  0
 10  6  1  0  0  0  0
 11  5  1  0  0  0  0
 12  3  2  0  0  0  0
 13 16  1  0  0  0  0
 14  9  2  0  0  0  0
 15  9  1  0  0  0  0
 16 15  2  0  0  0  0
 17 14  1  0  0  0  0
 18 13  1  0  0  0  0
 19  1  1  0  0  0  0
 20 18  2  0  0  0  0
 21 18  1  0  0  0  0
 22 19  1  0  0  0  0
 23 21  2  0  0  0  0
 24 20  1  0  0  0  0
 25 23  1  0  0  0  0
  4 11  1  0  0  0  0
 13 17  2  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (833)
833

>  <Formula> (833)
C19H22N2O3S

>  <MolWeight> (833)
358.45458

>  <COMPOUND_NAME> (833)
WAY-300697

>  <BAR_CODE_NO> (833)
3902848

$$$$
WAY-300700
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    0.8279    1.7238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8279    2.5066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1451    1.3238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5072    1.3238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1451    2.9066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5072    2.9066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5342    1.7238    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1831    1.7238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5342    2.5066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1831    2.5066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2549    1.3169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2411    0.4928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5204    0.0721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5342   -0.7555    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1796    0.4928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5342   -1.5658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1658   -1.9658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2031   -1.9762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1796   -2.7658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2204   -2.7555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5204   -3.1555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4825   -4.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2721   -4.5555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (834)
834

>  <Formula> (834)
C19H22N2O2

>  <MolWeight> (834)
310.39018

>  <COMPOUND_NAME> (834)
WAY-300700

>  <BAR_CODE_NO> (834)
3902852

$$$$
WAY-300719
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
    0.0862    0.5954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0862   -0.3421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7305    1.0912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7305   -0.8338    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9237    1.0912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5513    0.5954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5513   -0.3421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7487    0.5954    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5695    1.0912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9237   -0.8546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3862    0.5954    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5695    2.0287    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9237    2.0287    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7305    2.0287    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7305   -1.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3763    1.0912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3763   -0.8338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2070    2.0287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3862    2.5162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2070    1.0912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5513   -2.2421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3763   -3.6713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1930    0.5954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5513   -3.2088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1930   -0.3421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3763   -4.6213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  6  2  0  0  0  0
  8  5  1  0  0  0  0
  9  8  1  0  0  0  0
 10  2  2  0  0  0  0
 11  9  2  0  0  0  0
 12  9  1  0  0  0  0
 13  5  2  0  0  0  0
 14  3  1  0  0  0  0
 15  4  1  0  0  0  0
 16  6  1  0  0  0  0
 17  7  1  0  0  0  0
 18 19  1  0  0  0  0
 19 12  2  0  0  0  0
 20 11  1  0  0  0  0
 21 15  1  0  0  0  0
 22 24  1  0  0  0  0
 23 16  2  0  0  0  0
 24 21  1  0  0  0  0
 25 23  1  0  0  0  0
 26 22  1  0  0  0  0
  7  4  1  0  0  0  0
 18 20  2  0  0  0  0
 17 25  2  0  0  0  0
M  END
>  <Mol_ID> (835)
835

>  <Formula> (835)
C19H20N4O3

>  <MolWeight> (835)
352.3871

>  <COMPOUND_NAME> (835)
WAY-300719

>  <BAR_CODE_NO> (835)
3902887

$$$$
WAY-300726
csChFnd80/06171916322D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.7828   -1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5828   -0.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3828   -1.9172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4862   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1000   -0.0517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1379   -0.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8517   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5379   -2.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000    0.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1828    0.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3483    0.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0172    1.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0655    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7621    1.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2655    1.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0000    1.4207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2138    2.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
  7  8  2  0  0  0  0
 14 15  2  0  0  0  0
M  END
>  <Mol_ID> (836)
836

>  <Formula> (836)
C13H13NO3

>  <MolWeight> (836)
231.24722

>  <COMPOUND_NAME> (836)
WAY-300726

>  <BAR_CODE_NO> (836)
3902899

$$$$
WAY-300736
csChFnd80/06171916322D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -0.1630   -0.1362    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6610    0.2058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3260    0.2388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4780    0.7908    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1130    0.7908    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2220    0.0048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9080    0.0858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2540    0.1758    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3160    0.5178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0730   -0.4962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6900    0.3858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0720   -0.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6550   -0.6342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9070    0.3648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -0.3132    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3150   -0.5802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3500   -0.4152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8910   -0.7902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  1  3  2  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8 11  1  0  0  0  0
  9  7  1  0  0  0  0
  7 10  2  0  0  0  0
  6 11  2  0  0  0  0
 13 12  2  0  0  0  0
 13 10  1  0  0  0  0
 14  9  2  0  0  0  0
 15 12  1  0  0  0  0
 16  6  1  0  0  0  0
 17 18  1  0  0  0  0
 18 16  2  0  0  0  0
  5  4  1  0  0  0  0
 14 12  1  0  0  0  0
  8 17  2  0  0  0  0
M  END
>  <Mol_ID> (837)
837

>  <Formula> (837)
C13H8FN3O

>  <MolWeight> (837)
241.2205232

>  <COMPOUND_NAME> (837)
WAY-300736

>  <BAR_CODE_NO> (837)
3902911

$$$$
WAY-300744
csChFnd80/06171916322D

 21 22  0  0  0  0  0  0  0  0999 V2000
    1.2241   -0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7517   -0.9609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1345   -0.0333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9483    0.7598    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.7966   -0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3207   -1.9643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4069    0.8977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9069    0.3288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5897   -1.4402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9759   -2.8195    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2483   -2.0781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4724    0.8977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1345    1.8529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8586    0.8529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0207   -0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0207    1.8529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0862   -0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4724   -0.9609    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.0862    1.8529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6310    0.8977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6931    0.8977    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
  5  8  2  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (838)
838

>  <Formula> (838)
C14H12Cl2N2O2S

>  <MolWeight> (838)
343.22828

>  <COMPOUND_NAME> (838)
WAY-300744

>  <BAR_CODE_NO> (838)
3902924

$$$$
WAY-300753
csChFnd80/06171916322D

 30 34  0  0  0  0  0  0  0  0999 V2000
   -0.2448   -0.1621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2448   -0.8276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8034    0.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3552    0.0379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8034   -1.1483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3552   -1.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3655   -0.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8034    0.8103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7552   -0.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3655   -0.8103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8034    1.4517    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1655    0.8103    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4655    0.8103    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.3966   -0.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9276   -1.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7172    0.0517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7345   -1.0621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5034   -0.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0276   -1.7621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3966    0.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3552    0.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9448   -1.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6655   -1.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7172    1.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7483    0.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6724    0.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3552    1.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3966    1.7517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4172    1.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7345    1.7517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 16 21  1  0  0  0  0
 18 22  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  2  0  0  0  0
 20 25  1  0  0  0  0
 21 26  1  0  0  0  0
 24 27  1  0  0  0  0
 24 28  1  0  0  0  0
 25 29  2  0  0  0  0
 28 30  2  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
 22 23  2  0  0  0  0
 26 27  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (839)
839

>  <Formula> (839)
C21H15F3N4O2

>  <MolWeight> (839)
412.3646096

>  <COMPOUND_NAME> (839)
WAY-300753

>  <BAR_CODE_NO> (839)
3902935

$$$$
WAY-300758
csChFnd80/06171916322D

 34 40  0  0  0  0  0  0  0  0999 V2000
    0.9525    1.8190    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8955    1.7905    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8955    0.4190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8955    3.1905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9525    3.1905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9810    0.4190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6095    0.9430    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6095    2.6570    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.2665    2.6570    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.2665    0.9620    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.5810    0.9430    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.5810    2.6570    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.0955    0.1045    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.0955    3.5335    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.7335    1.8190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5810    1.8190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4955    2.5145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4095    1.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4380    3.2760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000    3.3045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4000   -1.1810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4380    4.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4380    4.8285    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4380   -1.2095    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1525    3.3045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3145    3.3045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4570    0.3335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000    0.3335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000    4.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1620    4.7620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3145    0.3335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1525    0.3430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000    1.8285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1620    1.8190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3 10  1  0  0  0  0
  4  9  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  5  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13  7  1  0  0  0  0
 14  8  1  0  0  0  0
 15  1  1  0  0  0  0
 16  2  1  0  0  0  0
 17 14  1  0  0  0  0
 18 13  1  0  0  0  0
 19 16  2  0  0  0  0
 20 15  1  0  0  0  0
 21  3  2  0  0  0  0
 22  4  2  0  0  0  0
 23  5  2  0  0  0  0
 24  6  2  0  0  0  0
 25 19  1  0  0  0  0
 26 20  2  0  0  0  0
 27 16  1  0  0  0  0
 28 15  2  0  0  0  0
 29 25  1  0  0  0  0
 30 26  1  0  0  0  0
 31 28  1  0  0  0  0
 32 27  2  0  0  0  0
 33 32  1  0  0  0  0
 34 31  2  0  0  0  0
  8  7  1  0  0  0  0
 34 26  1  0  0  0  0
 18 17  2  0  0  0  0
 12 11  1  0  0  0  0
 10  9  1  0  0  0  0
  4  2  1  0  0  0  0
 25 33  2  0  0  0  0
M  END
>  <Mol_ID> (840)
840

>  <Formula> (840)
C26H20N2O6

>  <MolWeight> (840)
456.4468

>  <COMPOUND_NAME> (840)
WAY-300758

>  <BAR_CODE_NO> (840)
3902940

$$$$
WAY-300763
csChFnd80/06171916322D

 29 33  0  0  0  0  0  0  0  0999 V2000
    0.0000   -0.1241    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.3414    0.0552    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.3414    0.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0207   -0.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3414    0.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7207   -0.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3414    0.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6586   -0.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3586   -0.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3207   -0.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7207    0.5759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9414    0.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8414   -0.4448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6586    0.6345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000    0.0552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6586   -0.5241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3586   -1.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3207   -1.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8793    0.9172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3207    0.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000    0.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6586    1.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3414   -0.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0207   -1.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7207   -1.2655    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.2586    0.9552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4793    0.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3414    0.6552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
  6 13  1  0  0  0  0
  6 14  2  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  2  0  0  0  0
  9 18  2  0  0  0  0
 10 19  1  0  0  0  0
 11 20  1  0  0  0  0
 13 21  1  0  0  0  0
 15 22  1  0  0  0  0
 15 23  1  0  0  0  0
 16 24  1  0  0  0  0
 18 25  1  0  0  0  0
 18 26  1  0  0  0  0
 20 27  2  0  0  0  0
 21 28  2  0  0  0  0
 22 29  2  0  0  0  0
  7 12  1  0  0  0  0
 11 13  2  0  0  0  0
 16 22  1  0  0  0  0
 19 25  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (841)
841

>  <Formula> (841)
C22H16BrN3O3

>  <MolWeight> (841)
450.28474

>  <COMPOUND_NAME> (841)
WAY-300763

>  <BAR_CODE_NO> (841)
3902945

$$$$
WAY-300769
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -0.8053    0.4260    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2673    0.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8443    1.5930    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1363    0.6990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1363    1.3650    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5088    0.2760    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7418   -0.5160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3507   -0.9240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3057   -1.6770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7898    0.2340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0203    0.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6398   -2.0220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1778    0.6510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0728   -0.8550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4618    0.5790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9888   -1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9943   -0.3570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9568   -2.0910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6398   -2.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3503    1.6380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3953    0.3540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1033    0.3540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1033    1.6380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4783    0.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  4  5  2  0  0  0  0
  6  4  1  0  0  0  0
  7 10  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10 13  1  0  0  0  0
 11  2  1  0  0  0  0
 16 12  2  0  0  0  0
 13  6  1  0  0  0  0
  7 14  2  0  0  0  0
 15 10  2  0  0  0  0
 16 14  1  0  0  0  0
 17  1  1  0  0  0  0
 18  9  1  0  0  0  0
 19 12  1  0  0  0  0
 11 20  2  0  0  0  0
 21 11  1  0  0  0  0
 22 21  2  0  0  0  0
 23 20  1  0  0  0  0
 24 22  1  0  0  0  0
  5  3  1  0  0  0  0
 23 24  2  0  0  0  0
 12  9  1  0  0  0  0
M  END
>  <Mol_ID> (842)
842

>  <Formula> (842)
C17H15N3O3S

>  <MolWeight> (842)
341.3843

>  <COMPOUND_NAME> (842)
WAY-300769

>  <BAR_CODE_NO> (842)
3902952

$$$$
WAY-300770
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -1.0958    0.3958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5125    0.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7125    0.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5125    1.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667    0.0500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458   -0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958    1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1000   -0.5542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7125    1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6875   -0.6667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0625   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208    0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7375   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208    1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3000    0.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3000    1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833   -0.0292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6625   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4208   -0.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333    0.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333    0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958    1.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6708    0.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6708    1.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  6  1  0  0  0  0
  6 17  1  0  0  0  0
  7  9  2  0  0  0  0
  8  6  2  0  0  0  0
  9  3  1  0  0  0  0
 10  8  1  0  0  0  0
 11  1  1  0  0  0  0
 12  2  1  0  0  0  0
 13  5  1  0  0  0  0
 14  4  1  0  0  0  0
 15 12  2  0  0  0  0
 16 15  1  0  0  0  0
 17 18  1  0  0  0  0
 18 11  1  0  0  0  0
 19 11  2  0  0  0  0
 20  3  1  0  0  0  0
 21  3  1  0  0  0  0
 22  7  1  0  0  0  0
 23 13  1  0  0  0  0
 24 15  1  0  0  0  0
 25 16  1  0  0  0  0
  4  7  1  0  0  0  0
 14 16  2  0  0  0  0
 13 10  2  0  0  0  0
M  END
>  <Mol_ID> (843)
843

>  <Formula> (843)
C19H23N3OS2

>  <MolWeight> (843)
373.53542

>  <COMPOUND_NAME> (843)
WAY-300770

>  <BAR_CODE_NO> (843)
3902953

$$$$
WAY-300777
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -0.7000   -2.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7000   -3.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4000   -2.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.3586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4000   -4.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1000   -2.8103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0172   -1.5207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1000   -3.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7172   -4.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9172   -4.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8379   -2.3897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6828   -1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6621   -0.2897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0586    0.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3621    0.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0793    0.9414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3414    0.9690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6207    1.3586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6000    2.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3000    2.5897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1172    2.5897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2828    3.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5621    3.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9828    3.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5414    4.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9621    4.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2414    5.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  2  0  0  0  0
  6  8  1  0  0  0  0
 17 18  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (844)
844

>  <Formula> (844)
C21H30N4O2

>  <MolWeight> (844)
370.4885

>  <COMPOUND_NAME> (844)
WAY-300777

>  <BAR_CODE_NO> (844)
3902962

$$$$
WAY-300783
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
    0.4448   -0.8655    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.4448    0.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3379   -1.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4414   -1.3759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4552    0.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3241    0.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3379   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2448   -0.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4414   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4552    1.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3241    1.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4448   -2.9034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2448   -2.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2586    0.1862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1241   -1.3655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3379   -2.9138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3379    2.2241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4448    2.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1379    0.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2241    1.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1448    1.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1138    2.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2379    0.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0241    1.7724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1552    0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0483    0.7483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  2  0  0  0  0
  9 16  2  0  0  0  0
 10 17  1  0  0  0  0
 10 18  2  0  0  0  0
 14 19  1  0  0  0  0
 17 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  2  0  0  0  0
  9 12  1  0  0  0  0
 11 18  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (845)
845

>  <Formula> (845)
C20H20N2O4

>  <MolWeight> (845)
352.3838

>  <COMPOUND_NAME> (845)
WAY-300783

>  <BAR_CODE_NO> (845)
3902971

$$$$
WAY-300856
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
    0.2207    0.3621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2690    1.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0034    0.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0034   -0.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2034    1.6931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1069    1.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0034    1.4517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6828    0.1310    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7966   -0.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5931   -1.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5172    1.7310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5828   -0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0069   -1.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3931   -1.8276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3379    1.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2414   -1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4276   -2.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7690    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7483    2.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1621   -2.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0034   -0.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5862    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5862    2.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8207   -2.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6621   -1.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9966    1.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5828   -2.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  6 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  2  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  2  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  2  0  0  0  0
 16 21  1  0  0  0  0
 18 22  1  0  0  0  0
 19 23  2  0  0  0  0
 20 24  1  0  0  0  0
 21 25  2  0  0  0  0
 22 26  2  0  0  0  0
 24 27  2  0  0  0  0
  5  7  1  0  0  0  0
 14 17  1  0  0  0  0
 23 26  1  0  0  0  0
 25 27  1  0  0  0  0
M  END
>  <Mol_ID> (846)
846

>  <Formula> (846)
C22H19N3OS

>  <MolWeight> (846)
373.47076

>  <COMPOUND_NAME> (846)
WAY-300856

>  <BAR_CODE_NO> (846)
3903075

$$$$
WAY-301072
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -0.4000    0.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4000   -0.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2759    0.9655    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.0897    0.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2759   -0.6345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0897   -0.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9759    0.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2759    1.7655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7897    0.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2759   -1.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9759   -0.2276    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.7897   -0.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9759    2.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4241   -1.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9759   -1.8483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6897   -0.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6724    1.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000    2.9724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1241   -1.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4241   -2.6483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3724    2.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6724    3.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8103   -1.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1241   -3.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3724    2.9724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8103   -2.6483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5000   -1.4483    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  8 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  2  0  0  0  0
 11 16  1  0  0  0  0
 13 17  2  0  0  0  0
 13 18  1  0  0  0  0
 14 19  2  0  0  0  0
 14 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  2  0  0  0  0
 19 23  1  0  0  0  0
 20 24  2  0  0  0  0
 21 25  2  0  0  0  0
 23 26  2  0  0  0  0
 23 27  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 22 25  1  0  0  0  0
 24 26  1  0  0  0  0
M  END
>  <Mol_ID> (847)
847

>  <Formula> (847)
C23H21FN2O

>  <MolWeight> (847)
360.4240432

>  <COMPOUND_NAME> (847)
WAY-301072

>  <BAR_CODE_NO> (847)
3903390

$$$$
WAY-301117
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
    1.4552   -0.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7483   -1.5862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4586   -0.0862    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1724    0.3034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8069   -1.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9862   -2.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5586    1.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6241    1.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1069   -2.9138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2724   -3.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2448    1.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0448    2.2517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3345   -3.6862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2897    1.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1069    2.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5276    0.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1414    1.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8931    3.1966    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.5448   -0.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3759    0.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4414    0.3655    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  2  0  0  0  0
  9 13  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  2  0  0  0  0
 17 20  2  0  0  0  0
 20 21  1  0  0  0  0
  7  8  1  0  0  0  0
 10 13  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (848)
848

>  <Formula> (848)
C14H12Cl2N2O2S

>  <MolWeight> (848)
343.22828

>  <COMPOUND_NAME> (848)
WAY-301117

>  <BAR_CODE_NO> (848)
3903449

$$$$
WAY-301123
csChFnd80/06171916322D

 28 30  0  0  0  0  0  0  0  0999 V2000
   -0.2172    0.4690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2172   -0.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4448    0.8483    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.9345    0.6897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4448   -0.6931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9345   -0.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1034    0.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4448    1.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3552    0.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1034   -0.3103    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.3172    1.6069    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.4448    2.3690    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2034    1.6069    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1172    0.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7655   -0.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4966    0.7483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4966   -0.5724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4034   -0.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7655   -1.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2552    0.7483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0655   -0.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4034   -1.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6345    0.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0655   -1.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7448   -0.2931    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.3966    0.1069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7448   -1.8310    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.7759   -0.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  2  0  0  0  0
 20 23  1  0  0  0  0
 21 24  2  0  0  0  0
 21 25  1  0  0  0  0
 23 26  1  0  0  0  0
 24 27  1  0  0  0  0
 26 28  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <Mol_ID> (849)
849

>  <Formula> (849)
C17H17Cl2F3N4O2

>  <MolWeight> (849)
437.2436896

>  <COMPOUND_NAME> (849)
WAY-301123

>  <BAR_CODE_NO> (849)
3903458

$$$$
WAY-301124
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -2.1034    0.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1897    0.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7655    0.9414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3552   -0.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4034   -0.0069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9345    1.4276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6552    0.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5207    1.8414    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.2655   -0.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3345    0.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0034    1.4621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9207   -0.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2655    0.3621    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8345   -0.4103    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.5345   -0.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4448   -0.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0828   -0.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7103   -1.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0103   -0.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6345   -1.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2828   -1.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6448    0.3897    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
 10 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
  9 12  2  0  0  0  0
 10 11  2  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (850)
850

>  <Formula> (850)
C15H9Cl3N2OS

>  <MolWeight> (850)
371.66876

>  <COMPOUND_NAME> (850)
WAY-301124

>  <BAR_CODE_NO> (850)
3903459

$$$$
WAY-301125
csChFnd80/06171916322D

 28 32  0  0  0  0  0  0  0  0999 V2000
   -0.2484   -0.4309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0001   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2794   -0.7102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5104   -0.3102    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0001    0.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2413   -0.4309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5587   -0.7689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7001   -0.5206    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2413    0.1415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4896   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6691   -1.0309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2413    0.4311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4896    0.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5001   -1.2585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9484   -1.0585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4689    0.5898    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0102    0.5898    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6208   -1.5206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0691   -1.3206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3896    0.8691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0999    0.8691    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9001   -1.5482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5516    1.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4413    1.3587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8413    1.0691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6102    1.5898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9999    1.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8896    1.5587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 13  2  0  0  0  0
 11 14  2  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  2  0  0  0  0
 20 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  2  0  0  0  0
 26 28  2  0  0  0  0
  7  8  2  0  0  0  0
 10 13  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (851)
851

>  <Formula> (851)
C22H14N4O2

>  <MolWeight> (851)
366.37216

>  <COMPOUND_NAME> (851)
WAY-301125

>  <BAR_CODE_NO> (851)
3903460

$$$$
WAY-301126
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
    0.6314    0.1755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0134   -0.1763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3004   -0.1763    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6383    0.8755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6168    0.1617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9211   -0.5245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6625    0.4134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9314   -0.8211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0168    1.2410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2513   -0.1866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5996    0.8617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5314   -0.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9168    0.1513    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2513   -0.9211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2168    1.2134    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.1487   -0.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5314    0.5513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5375   -0.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7694   -0.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1487    0.9134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5375   -0.9245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1893    0.1410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7694    0.5513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1893   -1.3004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8306   -0.2245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8168   -0.9383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  2  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 17  1  0  0  0  0
 13 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 18 22  2  0  0  0  0
 19 23  1  0  0  0  0
 21 24  2  0  0  0  0
 22 25  1  0  0  0  0
 24 26  1  0  0  0  0
  9 11  2  0  0  0  0
 20 23  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <Mol_ID> (852)
852

>  <Formula> (852)
C19H21BrN2O3S

>  <MolWeight> (852)
437.35064

>  <COMPOUND_NAME> (852)
WAY-301126

>  <BAR_CODE_NO> (852)
3903462

$$$$
WAY-301145
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -1.9250    1.3352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9250    2.4283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9905    0.8041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8629    0.8041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9905    2.9593    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8629    2.9593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9905   -0.2890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8629   -0.2890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0319    2.3972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0319   -0.8510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9250   -0.8200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9060    2.9593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0319    1.3352    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0319   -1.9131    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9060   -0.2890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8440    2.3972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9060    0.7731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9060   -2.4752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8440    1.3352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8440   -1.9131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9060   -3.5372    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7785   -2.4752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8440   -4.0993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7785   -3.5372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  2  0  0  0  0
 12 16  1  0  0  0  0
 13 17  2  0  0  0  0
 14 18  1  0  0  0  0
 16 19  2  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
  8 11  2  0  0  0  0
 17 19  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (853)
853

>  <Formula> (853)
C18H14N4O2

>  <MolWeight> (853)
318.32936

>  <COMPOUND_NAME> (853)
WAY-301145

>  <BAR_CODE_NO> (853)
3903488

$$$$
WAY-301155
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
    1.0931   -0.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5724   -0.1034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2931    0.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4207   -0.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2414   -0.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2621    0.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414    0.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0207    0.8172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9828   -0.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2966   -0.3724    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.3931   -1.0828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2793    0.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4621    0.8586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1828    0.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3103    1.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3207   -0.7414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7379   -0.6828    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.9034   -0.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2069   -0.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2172    0.0793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6276   -0.6310    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7897    0.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0172   -0.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0483    0.7172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5897   -0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5966    0.7276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8897    0.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  6 13  2  0  0  0  0
  7 14  2  0  0  0  0
  8 15  1  0  0  0  0
  9 16  1  0  0  0  0
 10 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
  9 14  1  0  0  0  0
 10 12  1  0  0  0  0
 22 23  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <Mol_ID> (854)
854

>  <Formula> (854)
C19H16N2O4S2

>  <MolWeight> (854)
400.47134

>  <COMPOUND_NAME> (854)
WAY-301155

>  <BAR_CODE_NO> (854)
3903500

$$$$
WAY-301159
csChFnd80/06171916322D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -0.3951    0.1309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4123   -0.2312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5360   -0.4381    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1365    1.2171    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6089   -1.3174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3089    0.5033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3739    0.2860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9773    1.2791    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6365   -1.6967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3089    0.0964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4601    0.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4813   -0.9967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9601    1.3205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2532   -0.4036    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4985   -1.3864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0360    1.1757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1911    0.1136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
  7  8  2  0  0  0  0
 10 12  2  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (855)
855

>  <Formula> (855)
C13H10N2OS

>  <MolWeight> (855)
242.2963

>  <COMPOUND_NAME> (855)
WAY-301159

>  <BAR_CODE_NO> (855)
3903505

$$$$
WAY-301161
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -2.7515   -0.2651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1998   -1.2824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9515    0.5418    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8929   -0.2272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0929   -1.0582    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7998   -2.2444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9412    0.0694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4998   -1.2065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2619   -1.8582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9412   -2.2272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0588    0.6176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0485    0.0349    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0485    0.5832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0485    1.7211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0243    0.0038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0485    2.2832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0071    0.5556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0243    1.7038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0243    2.2556    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 18 19  1  0  0  0  0
  5  7  1  0  0  0  0
  8 10  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (856)
856

>  <Formula> (856)
C15H14ClN3

>  <MolWeight> (856)
271.74476

>  <COMPOUND_NAME> (856)
WAY-301161

>  <BAR_CODE_NO> (856)
3903511

$$$$
WAY-301188
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.5138    0.8759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5034    1.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8345   -0.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1517    1.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5034    2.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4483    0.6759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1138   -0.9138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8759   -0.3759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5138    2.6379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2276    1.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4483    2.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3862    1.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4138   -1.9552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9379   -0.6759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3862    2.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3241   -2.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4517   -2.1931    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.6862   -1.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4000   -2.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1621   -1.3931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7621   -3.2241    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  7 14  2  0  0  0  0
 11 15  2  0  0  0  0
 13 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  2  0  0  0  0
 17 21  1  0  0  0  0
  5  9  1  0  0  0  0
 12 15  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (857)
857

>  <Formula> (857)
C15H11N3O3

>  <MolWeight> (857)
281.26614

>  <COMPOUND_NAME> (857)
WAY-301188

>  <BAR_CODE_NO> (857)
3903546

$$$$
WAY-301189
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    0.0255    0.3295    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0255   -0.6912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8366    0.8191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9772    0.6157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8366   -1.1981    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9772   -0.9809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7297    0.3571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8366    1.8260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5220   -0.1878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7297   -0.6912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8435    1.8260    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8366    2.8329    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.1703    1.8260    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.5600   -0.1878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5918   -1.1981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0186    0.6467    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0186   -1.0809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4849   -0.7636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7366   -2.2050    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0255    0.6467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1745   -1.4843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7125   -2.3464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5151    1.5088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5151   -0.2188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 20 24  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (858)
858

>  <Formula> (858)
C15H13F3N4OS

>  <MolWeight> (858)
354.3501296

>  <COMPOUND_NAME> (858)
WAY-301189

>  <BAR_CODE_NO> (858)
3903547

$$$$
WAY-301190
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -2.6483    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7103    0.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4483    0.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5690    2.0172    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0483    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4690   -0.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2931   -0.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5931    2.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0310    1.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0690   -1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3483   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1931    3.2172    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4310    0.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9172   -2.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1690   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4517    0.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9690   -2.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9069   -0.5621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0310    1.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9069   -0.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4828    0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3517   -1.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5069    0.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3690   -1.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9517   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0828    0.9517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 17  2  0  0  0  0
 16 18  1  0  0  0  0
 16 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
  5  8  1  0  0  0  0
 15 17  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (859)
859

>  <Formula> (859)
C19H16N2O3S2

>  <MolWeight> (859)
384.47194

>  <COMPOUND_NAME> (859)
WAY-301190

>  <BAR_CODE_NO> (859)
3903549

$$$$
WAY-301203
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -1.5621   -0.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3931    0.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5621   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7724    0.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8931   -0.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9345    0.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7724   -1.4483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3931   -1.2586    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0138   -0.1172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7724    1.2207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7448   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7621    0.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0138   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7552    0.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7552   -1.4483    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7552    1.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5276   -0.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5172   -1.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5276    1.6621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2862    0.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2862   -1.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2862    1.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0448   -1.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0448    1.6724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8069    1.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  2  0  0  0  0
  9 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  2  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
  5  8  1  0  0  0  0
  9 13  1  0  0  0  0
 11 12  1  0  0  0  0
 20 22  2  0  0  0  0
M  END
>  <Mol_ID> (860)
860

>  <Formula> (860)
C19H18N2O2S2

>  <MolWeight> (860)
370.48842

>  <COMPOUND_NAME> (860)
WAY-301203

>  <BAR_CODE_NO> (860)
3903562

$$$$
WAY-301205
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -1.4103   -0.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2586   -0.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1207   -1.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9483    1.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2586   -1.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8103    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4103   -2.0448    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3483   -0.9172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1586    1.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8103   -2.2759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8793   -0.4172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8103    1.4552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8897    0.2034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1690    1.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0414    2.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8793   -1.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9517    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9517   -2.2759    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.9517    1.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0517   -1.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8793    2.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0517    2.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  2  0  0  0  0
 11 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  2  0  0  0  0
  5  7  1  0  0  0  0
  9 13  1  0  0  0  0
 11 16  1  0  0  0  0
M  END
>  <Mol_ID> (861)
861

>  <Formula> (861)
C16H20N2O2S2

>  <MolWeight> (861)
336.4722

>  <COMPOUND_NAME> (861)
WAY-301205

>  <BAR_CODE_NO> (861)
3903564

$$$$
WAY-301215
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -1.2657   -0.9865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9657   -1.1693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0657   -0.2969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8830   -1.6175    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0036   -1.8865    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4830   -0.6555    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5657    0.2135    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3450   -0.1175    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3657   -2.1555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2830    0.0307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1278    0.5756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5826   -0.4072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5688   -0.2072    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7722    0.3652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9722    1.0514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8964    0.3652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5170    1.5928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5964    1.1273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5964    0.7514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8170    1.4445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0343    1.9825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  6 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
  5  9  1  0  0  0  0
  7 10  2  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (862)
862

>  <Formula> (862)
C14H14N4O2S

>  <MolWeight> (862)
302.35156

>  <COMPOUND_NAME> (862)
WAY-301215

>  <BAR_CODE_NO> (862)
3903575

$$$$
WAY-301222
csChFnd80/06171916322D

 28 30  0  0  0  0  0  0  0  0999 V2000
   -1.6586    0.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1586   -0.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1586    1.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6759    0.2379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6586   -1.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1379   -0.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6586    1.9759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1759    1.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1379   -2.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6379   -1.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6759    1.9586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1379    2.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8241    1.0966    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1379   -2.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0207    2.3759    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2586    3.3414    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6207    3.7414    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.3034    0.2379    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.3034    0.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8241   -0.6034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7793   -0.6241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7793    1.0966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2793   -1.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7793   -0.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7793   -2.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2621   -1.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7621   -2.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2621   -3.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 17  1  0  0  0  0
 13 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  2  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
  8 11  1  0  0  0  0
 10 14  2  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (863)
863

>  <Formula> (863)
C20H22F3N3OS

>  <MolWeight> (863)
409.4683896

>  <COMPOUND_NAME> (863)
WAY-301222

>  <BAR_CODE_NO> (863)
3903584

$$$$
WAY-301225
csChFnd80/06171916322D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.2414   -0.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2414    1.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5621   -1.2828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0793   -1.2828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5621    2.6034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0793    2.6034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8793    0.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3759   -3.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3966    0.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8931   -3.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3759    4.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8931    4.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2310    0.6586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8724   -5.3276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7483    0.6586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2448   -3.8552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  2  0  0  0  0
 10 16  1  0  0  0  0
  5  7  1  0  0  0  0
  6  9  1  0  0  0  0
M  END
>  <Mol_ID> (864)
864

>  <Formula> (864)
C8H14N4O4

>  <MolWeight> (864)
230.22116

>  <COMPOUND_NAME> (864)
WAY-301225

>  <BAR_CODE_NO> (864)
3903587

$$$$
WAY-301227
csChFnd80/06171916322D

 33 36  0  0  0  0  0  0  0  0999 V2000
    0.3759    2.0724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0379    2.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9483    1.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2414    1.6483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6897    3.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5897    3.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7103    0.9517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6759    1.8483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0103    0.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9517    1.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7034    3.9379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5897    3.8621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1897    0.3862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4414    0.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0517    4.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9241   -0.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3966   -0.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1966   -0.4483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1483   -1.5517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4241   -1.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5483   -2.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4138   -2.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1414   -1.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0966   -2.7517    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3103   -2.1759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2414   -2.8621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8897   -2.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5379   -2.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8897   -1.7276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1759   -2.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5379   -1.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1759   -1.7276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8103   -1.3621    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  2  0  0  0  0
 21 24  1  0  0  0  0
 21 25  2  0  0  0  0
 22 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
 29 31  2  0  0  0  0
 30 32  2  0  0  0  0
 32 33  1  0  0  0  0
  7  9  2  0  0  0  0
 12 15  2  0  0  0  0
 22 24  1  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <Mol_ID> (865)
865

>  <Formula> (865)
C23H19ClN4O4S

>  <MolWeight> (865)
482.93936

>  <COMPOUND_NAME> (865)
WAY-301227

>  <BAR_CODE_NO> (865)
3903589

$$$$
WAY-301233
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -2.4694    0.3378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4866    1.2136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7004   -0.0864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2349   -0.1174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7349    1.6653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2694    1.6378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9384    0.3688    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0039    0.3102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9591    1.2447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0211    1.1791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1694   -0.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5789    0.3964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1556   -0.9381    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3582   -0.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1134    0.4274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3754   -0.9174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8892    0.0067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1444   -1.3416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8996   -0.8898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6754   -1.3243    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.6823   -2.2105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4271   -0.8760    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (866)
866

>  <Formula> (866)
C17H16N2O3

>  <MolWeight> (866)
296.32054

>  <COMPOUND_NAME> (866)
WAY-301233

>  <BAR_CODE_NO> (866)
3903599

$$$$
WAY-301240
csChFnd80/06171916322D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -1.5755    1.3964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1858    2.2274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5755   -0.2036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9237    2.1860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2038    1.3964    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1858    3.8377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9548   -0.9933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3134    1.3964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2245   -0.1554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3341   -0.1554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9962   -2.3933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6142   -0.9243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1556   -0.4140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6142   -2.4933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0866   -1.7140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1452   -2.9933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
  8 10  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <Mol_ID> (867)
867

>  <Formula> (867)
C13H13NO2

>  <MolWeight> (867)
215.24782

>  <COMPOUND_NAME> (867)
WAY-301240

>  <BAR_CODE_NO> (867)
3903606

$$$$
WAY-301244
csChFnd80/06171916322D

 33 37  0  0  0  0  0  0  0  0999 V2000
   -0.8724    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8724   -0.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4759    0.6483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2517    0.6552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2621   -0.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4828   -0.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0897    0.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4759    1.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3621    0.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3552   -0.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2724   -1.4828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0966   -0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7000    0.6621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8621    1.7103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9793    0.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9655   -0.7828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7103   -0.7517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8621    2.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2517    1.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6172   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0276   -1.4897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3207   -0.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2448    2.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3621    1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0862   -1.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7241   -1.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5034   -1.9517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3655    2.4103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7862   -1.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0655   -2.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9862    2.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1379   -1.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7793   -2.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 12 17  1  0  0  0  0
 14 18  1  0  0  0  0
 14 19  1  0  0  0  0
 16 20  2  0  0  0  0
 16 21  1  0  0  0  0
 17 22  1  0  0  0  0
 18 23  1  0  0  0  0
 19 24  1  0  0  0  0
 20 25  1  0  0  0  0
 21 26  1  0  0  0  0
 21 27  1  0  0  0  0
 23 28  1  0  0  0  0
 25 29  1  0  0  0  0
 26 30  1  0  0  0  0
 28 31  1  0  0  0  0
 29 32  2  0  0  0  0
 30 33  2  0  0  0  0
  7 12  2  0  0  0  0
  9 10  2  0  0  0  0
 24 28  1  0  0  0  0
 25 26  2  0  0  0  0
 32 33  1  0  0  0  0
M  END
>  <Mol_ID> (868)
868

>  <Formula> (868)
C26H30N4O3

>  <MolWeight> (868)
446.5414

>  <COMPOUND_NAME> (868)
WAY-301244

>  <BAR_CODE_NO> (868)
3903615

$$$$
WAY-301248
csChFnd80/06171916322D

 31 35  0  0  0  0  0  0  0  0999 V2000
   -1.9691    1.7644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6691    1.0186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9691    3.2602    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2267   -1.2314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9267    1.0186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2691    1.0144    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6267    1.7644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9267   -0.4814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6691   -0.4814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6267   -1.2314    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5267   -0.4814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5691    1.7644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5691    3.2602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2267    1.7644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5267    1.0186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2267   -2.7314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9267   -3.4814    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6267    3.2602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6691   -4.9814    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2691   -0.4856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8226   -1.2314    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8649    1.0144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8649    4.0102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8226    1.7686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6267   -2.7314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9267   -4.9814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6267   -5.7314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6691   -3.4814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1226    1.0186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1608    1.7644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1608    3.2602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  8  1  0  0  0  0
  5  7  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  5  2  0  0  0  0
  9  2  2  0  0  0  0
 10  9  1  0  0  0  0
 11 15  1  0  0  0  0
 12  6  1  0  0  0  0
 13  3  1  0  0  0  0
 14  5  1  0  0  0  0
 15 14  2  0  0  0  0
 16  4  1  0  0  0  0
 17 16  1  0  0  0  0
 18  7  2  0  0  0  0
 19 27  1  0  0  0  0
 20  6  1  0  0  0  0
 21 11  1  0  0  0  0
 22 12  1  0  0  0  0
 23 13  1  0  0  0  0
 24 15  1  0  0  0  0
 25 17  1  0  0  0  0
 26 17  1  0  0  0  0
 27 26  1  0  0  0  0
 28 25  1  0  0  0  0
 29 24  1  0  0  0  0
 30 22  2  0  0  0  0
 31 23  2  0  0  0  0
 12 13  2  0  0  0  0
  8 10  1  0  0  0  0
 30 31  1  0  0  0  0
 11  4  2  0  0  0  0
 19 28  1  0  0  0  0
M  END
>  <Mol_ID> (869)
869

>  <Formula> (869)
C24H25N3O4

>  <MolWeight> (869)
419.473

>  <COMPOUND_NAME> (869)
WAY-301248

>  <BAR_CODE_NO> (869)
3903619

$$$$
WAY-301251
csChFnd80/06171916322D

 28 32  0  0  0  0  0  0  0  0999 V2000
    0.0241   -0.1241    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.3138    0.0759    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.3655    0.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0241   -0.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3138    0.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6966   -0.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3655    0.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7034   -0.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3655   -0.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3138   -0.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6966    0.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0241    0.6759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9138    0.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8138   -0.4241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7034    0.6759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0414    0.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7034   -0.5241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3655   -1.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3138   -1.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8586    0.9586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2966    0.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0414    0.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0241   -1.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7172   -1.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2586    0.9966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4759    0.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3414    0.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4241    0.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
  6 13  1  0  0  0  0
  6 14  2  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  2  0  0  0  0
  9 18  2  0  0  0  0
 10 19  1  0  0  0  0
 11 20  1  0  0  0  0
 13 21  1  0  0  0  0
 15 22  1  0  0  0  0
 18 23  1  0  0  0  0
 18 24  1  0  0  0  0
 20 25  2  0  0  0  0
 21 26  2  0  0  0  0
 22 27  1  0  0  0  0
 22 28  1  0  0  0  0
  7 12  1  0  0  0  0
 11 13  2  0  0  0  0
 16 22  1  0  0  0  0
 19 23  2  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (870)
870

>  <Formula> (870)
C25H23NO2

>  <MolWeight> (870)
369.45562

>  <COMPOUND_NAME> (870)
WAY-301251

>  <BAR_CODE_NO> (870)
3903623

$$$$
WAY-301273
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.4348   -1.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9445   -1.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1969   -0.3517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2969   -2.5724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6238   -0.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6445   -2.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5348   -0.7310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5762   -2.0724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0031   -0.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0238   -2.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6348    0.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7031   -1.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6859    0.9483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4555    1.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0859   -1.5138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9859    2.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1969    2.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5762    2.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7859   -2.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0348    3.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4141    3.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1348    4.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  2  0  0  0  0
 20 22  2  0  0  0  0
  7  8  1  0  0  0  0
 10 12  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (871)
871

>  <Formula> (871)
C16H16N4O2

>  <MolWeight> (871)
296.32384

>  <COMPOUND_NAME> (871)
WAY-301273

>  <BAR_CODE_NO> (871)
3903660

$$$$
WAY-301274
csChFnd80/06171916322D

 15 16  0  0  0  0  0  0  0  0999 V2000
    2.0167    0.0271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0547    0.8995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7478   -1.2384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2478    0.4236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1867    0.4926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7133   -2.1074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2098   -0.4350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1488    1.3616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4557   -0.7764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9409   -1.7039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3798    0.9547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7764   -0.2764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4315    1.7133    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0729   -0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4798    0.9478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
  7 10  1  0  0  0  0
 14 15  2  0  0  0  0
M  END
>  <Mol_ID> (872)
872

>  <Formula> (872)
C12H17NOS

>  <MolWeight> (872)
223.33448

>  <COMPOUND_NAME> (872)
WAY-301274

>  <BAR_CODE_NO> (872)
3903661

$$$$
WAY-301300
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.4931    0.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2207    0.8552    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.4828   -0.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2138    0.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9379    0.4517    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.3828    1.6621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2241   -0.7897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2000   -0.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9310    0.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9379   -0.3759    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.5379    1.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000    1.7517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9172   -0.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6552    0.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6586   -0.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3655    0.4276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6586    1.6724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6655   -1.6138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3690   -0.3655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3828   -2.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3966   -2.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  1  0  0  0  0
 15 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
  7 10  1  0  0  0  0
  9 13  2  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (873)
873

>  <Formula> (873)
C16H17NO4

>  <MolWeight> (873)
287.31048

>  <COMPOUND_NAME> (873)
WAY-301300

>  <BAR_CODE_NO> (873)
3903695

$$$$
WAY-301303
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.0138    0.4350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0552   -0.6512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0483    0.9453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9379    1.0177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0241   -1.1616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1310   -1.2340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8690    0.3626    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9069    0.5039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9483   -0.5788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8310   -0.7236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414    0.8695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8310    1.0867    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9138   -1.0857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7621    0.2867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8793    1.9626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7862    2.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9552   -2.1823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7310    0.7971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7207   -0.7961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6552    0.2143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6483   -1.3788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6138   -0.8719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 14 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (874)
874

>  <Formula> (874)
C18H19NO3

>  <MolWeight> (874)
297.34836

>  <COMPOUND_NAME> (874)
WAY-301303

>  <BAR_CODE_NO> (874)
3903699

$$$$
WAY-301313
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
    0.8724   -0.4345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8724   -1.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6138   -0.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0621   -0.1862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6138   -1.7069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0621   -1.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3414   -0.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6138    0.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4069   -0.8552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3414   -1.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621    0.8448    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6138    1.6862    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.7621    0.8448    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2690   -0.8552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0793   -1.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6862   -0.1207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6862   -1.6069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8310   -1.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1931   -2.5655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2690    0.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5379   -0.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4310   -1.9552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0414   -2.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6862    1.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9690    0.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5379    1.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9586    2.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8276    2.0862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5276    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3207    2.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1276    2.8276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 16 21  1  0  0  0  0
 18 22  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
 22 23  2  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (875)
875

>  <Formula> (875)
C20H19F3N4O4

>  <MolWeight> (875)
436.3844696

>  <COMPOUND_NAME> (875)
WAY-301313

>  <BAR_CODE_NO> (875)
3903710

$$$$
WAY-301324
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -2.0438    0.2492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0438   -0.9749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9817    0.8561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1058    0.8561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9817   -1.5922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1058   -1.5922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0804    0.2492    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9817    2.0871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1714    0.2492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0804   -0.9749    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9817   -2.8232    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1714   -0.9749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0907    2.6871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1424   -1.5922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1183    3.8699    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1942    2.0527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2286   -1.0129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2666    0.2113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2700   -1.6646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3528    0.7837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3493   -1.0887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3942    0.1389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  8 13  1  0  0  0  0
 10 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
  7 10  1  0  0  0  0
  9 12  2  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (876)
876

>  <Formula> (876)
C17H14N2O3

>  <MolWeight> (876)
294.30466

>  <COMPOUND_NAME> (876)
WAY-301324

>  <BAR_CODE_NO> (876)
3903725

$$$$
WAY-301337
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
    0.6793    0.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0931   -0.1103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4931    0.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5414    1.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000   -0.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0931   -0.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8655    1.0793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8655   -0.3966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2793    1.6586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1862    1.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000   -0.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862    0.4690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5586   -1.2345    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7414   -1.2345    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.6793    1.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4138    2.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6138   -1.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1931    0.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9655    1.9690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4379   -1.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0138    0.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7793    2.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8448   -2.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8448   -0.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3034    1.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6690   -2.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6690   -0.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0828   -1.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9069   -1.5793    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
  6 13  1  0  0  0  0
  6 14  2  0  0  0  0
  7 15  1  0  0  0  0
  9 16  1  0  0  0  0
 11 17  2  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  2  0  0  0  0
 20 23  1  0  0  0  0
 20 24  2  0  0  0  0
 21 25  2  0  0  0  0
 23 26  2  0  0  0  0
 24 27  1  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
  7  9  1  0  0  0  0
 11 13  1  0  0  0  0
 22 25  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <Mol_ID> (877)
877

>  <Formula> (877)
C21H16ClN3O2S2

>  <MolWeight> (877)
441.95364

>  <COMPOUND_NAME> (877)
WAY-301337

>  <BAR_CODE_NO> (877)
3903744

$$$$
WAY-301346
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    0.3717   -0.0096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9717    0.3110    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1904    0.3110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3717   -0.6648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5476    0.6524    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6303    0.8904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2924   -0.2648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7524   -0.0096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2076   -1.0096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1303    0.3352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5476    1.3110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3524    0.3352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7697   -0.6648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6821    0.6524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1303    1.6524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9076   -0.0096    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3524    0.9904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6821    1.3110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9076   -0.6648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4697   -1.0096    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4283   -1.1096    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3283   -1.6476    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6904   -1.6890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 17  2  0  0  0  0
 14 18  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
  9 13  2  0  0  0  0
 15 18  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (878)
878

>  <Formula> (878)
C13H14N4O4S2

>  <MolWeight> (878)
354.40466

>  <COMPOUND_NAME> (878)
WAY-301346

>  <BAR_CODE_NO> (878)
3903754

$$$$
WAY-301355
csChFnd80/06171916322D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -2.1276   -1.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1276   -0.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8172   -2.4828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4276   -2.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8172    0.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4276    0.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5138   -1.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7379   -1.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5138   -0.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8172    2.0552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7379   -0.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8345   -2.5034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8345    0.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8345    2.0759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1414   -0.2034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1517    2.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4517    2.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7621    2.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  2  0  0  0  0
  9 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
M  END
>  <Mol_ID> (879)
879

>  <Formula> (879)
C13H16N2O3

>  <MolWeight> (879)
248.27774

>  <COMPOUND_NAME> (879)
WAY-301355

>  <BAR_CODE_NO> (879)
3903766

$$$$
WAY-301357
csChFnd80/06171916322D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -1.2172    2.3761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5448    1.4278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1034    1.3968    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3793    3.9899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0276   -0.1101    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0276    2.0726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4345   -0.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8655    4.6692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1862    3.6968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5069   -1.4860    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7138    4.0830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1345   -1.4860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9759   -2.9032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8931   -0.0515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207   -4.4170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6690   -3.0067    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6655   -5.4550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0276   -4.6584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  6  9  2  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
  5  7  1  0  0  0  0
  8  9  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (880)
880

>  <Formula> (880)
C13H10N2OS2

>  <MolWeight> (880)
274.3613

>  <COMPOUND_NAME> (880)
WAY-301357

>  <BAR_CODE_NO> (880)
3903768

$$$$
WAY-301366
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
    0.0240    1.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6760    1.8448    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0068    0.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7654    1.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3932    2.3345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1829    2.5448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1829    1.1138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7240    0.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4861    1.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1553    1.9828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2932    3.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7240   -0.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4654    0.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8553    2.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0139    3.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4171   -1.2552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2344   -1.0241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7829    3.3034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4171   -2.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6758   -2.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1654   -2.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6758   -3.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0760   -2.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1654   -3.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4171   -3.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6760   -2.8448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0760   -1.7241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 17  2  0  0  0  0
 14 18  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  2  0  0  0  0
 22 25  2  0  0  0  0
 23 26  1  0  0  0  0
 23 27  2  0  0  0  0
  9 13  2  0  0  0  0
 15 18  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (881)
881

>  <Formula> (881)
C18H18N2O6S

>  <MolWeight> (881)
390.41032

>  <COMPOUND_NAME> (881)
WAY-301366

>  <BAR_CODE_NO> (881)
3903779

$$$$
WAY-301367
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -0.7241   -1.2351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1655   -0.2972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8138   -1.2351    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1655   -2.1868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9552   -0.2972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9241   -1.2351    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8138   -0.1247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8138   -2.3558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9552   -2.1868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4862    0.6753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4862   -1.2351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4655   -0.2972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4655   -2.1868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6069    0.6753    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9552    1.6132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5828   -0.2972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5828   -2.1868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1552    1.6339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1138   -1.2351    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2655    1.6753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6069    2.5649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8069    2.6339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1345    3.5442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2172    3.5753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  2  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 16 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
  9 11  2  0  0  0  0
 17 19  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (882)
882

>  <Formula> (882)
C17H24N2O4S

>  <MolWeight> (882)
352.44846

>  <COMPOUND_NAME> (882)
WAY-301367

>  <BAR_CODE_NO> (882)
3903780

$$$$
WAY-301369
csChFnd80/06171916322D

 28 30  0  0  0  0  0  0  0  0999 V2000
   -0.5086   -0.6054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3707   -0.1192    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3776   -0.1020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4949   -1.6089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2397    0.3601    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8776    0.7601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8638   -1.0054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2396   -0.6054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3776   -2.1123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3845   -2.0985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1018   -0.1330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1258   -0.0778    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2396   -1.6089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0880   -1.1296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9742    0.3601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9776    0.4291    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6362   -0.9537    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6120    0.7980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1051   -2.1123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9604   -1.6434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8500   -0.1468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9776    1.4153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8362   -1.1537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8396    1.9222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1120    1.9084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8396    2.9291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1120    2.9153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9776    3.4187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  2  0  0  0  0
 11 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12 16  1  0  0  0  0
 12 17  2  0  0  0  0
 12 18  2  0  0  0  0
 13 19  1  0  0  0  0
 14 20  2  0  0  0  0
 15 21  1  0  0  0  0
 16 22  1  0  0  0  0
 20 23  1  0  0  0  0
 22 24  2  0  0  0  0
 22 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  2  0  0  0  0
 26 28  2  0  0  0  0
  9 13  1  0  0  0  0
 21 23  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (883)
883

>  <Formula> (883)
C20H20N2O4S2

>  <MolWeight> (883)
416.5138

>  <COMPOUND_NAME> (883)
WAY-301369

>  <BAR_CODE_NO> (883)
3903782

$$$$
WAY-301383
csChFnd80/06171916322D

 31 33  0  0  0  0  0  0  0  0999 V2000
   -0.3310    0.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5966    1.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0207    0.0138    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4448    0.2345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4207    1.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1069    1.9483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6724    0.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6172   -0.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9172    1.9483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3793    2.6103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4724    0.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4034   -0.8241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0034   -1.1241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0793    0.8103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6621   -0.5655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5690   -1.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0069   -0.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8759    0.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8828    1.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3586   -1.8828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7931   -0.5207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4759    1.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4828    2.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9759   -1.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5276   -2.6897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4000    0.0379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2828    1.9517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7586   -1.5793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9172   -3.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1862   -0.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9379   -2.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  3  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  2  0  0  0  0
 11 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12 16  2  0  0  0  0
 12 17  1  0  0  0  0
 14 18  1  0  0  0  0
 14 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  2  0  0  0  0
 18 22  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  2  0  0  0  0
 20 25  1  0  0  0  0
 21 26  1  0  0  0  0
 22 27  1  0  0  0  0
 24 28  1  0  0  0  0
 25 29  1  0  0  0  0
 26 30  1  0  0  0  0
 28 31  1  0  0  0  0
  5  7  2  0  0  0  0
 21 24  1  0  0  0  0
 23 27  1  0  0  0  0
M  END
>  <Mol_ID> (884)
884

>  <Formula> (884)
C21H23N3O6S

>  <MolWeight> (884)
445.48882

>  <COMPOUND_NAME> (884)
WAY-301383

>  <BAR_CODE_NO> (884)
3903800

$$$$
WAY-301384
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -0.1448    0.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3966    0.3517    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.1448   -0.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7241    0.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3966    0.9931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9345    0.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7241   -0.7655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3966   -0.8862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0793   -0.2483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9448    0.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9345    1.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1448    1.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9345   -0.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4759    0.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9034   -1.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9345    1.9345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4759    0.9724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1448    1.9345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4759   -0.9069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0345    0.6931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5034   -1.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4931   -1.8069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3966    2.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1276    1.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6793    2.2517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6793   -2.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6793   -2.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2241    1.9517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2724   -2.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4517   -3.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  6 13  2  0  0  0  0
  6 14  1  0  0  0  0
  7 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  2  0  0  0  0
 13 19  1  0  0  0  0
 14 20  3  0  0  0  0
 15 21  2  0  0  0  0
 15 22  1  0  0  0  0
 16 23  2  0  0  0  0
 17 24  1  0  0  0  0
 18 25  1  0  0  0  0
 21 26  1  0  0  0  0
 22 27  2  0  0  0  0
 25 28  1  0  0  0  0
 26 29  2  0  0  0  0
 29 30  1  0  0  0  0
  7  9  1  0  0  0  0
  8 13  1  0  0  0  0
 18 23  1  0  0  0  0
 27 29  1  0  0  0  0
M  END
>  <Mol_ID> (885)
885

>  <Formula> (885)
C23H22N4O3

>  <MolWeight> (885)
402.44578

>  <COMPOUND_NAME> (885)
WAY-301384

>  <BAR_CODE_NO> (885)
3903801

$$$$
WAY-301398
csChFnd80/06171916322D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -2.1345    0.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1379   -0.9172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9207    1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3414    1.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3517   -1.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2966    0.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9276    2.6034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5483    0.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3483    2.5897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5586   -0.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3655   -3.0138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5103    1.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5828   -3.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7241    0.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    2.6172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7172   -0.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9310    1.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9207   -1.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1379    0.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1379   -0.8966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3448   -1.5966    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 20 21  1  0  0  0  0
  8 10  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (886)
886

>  <Formula> (886)
C16H13FO4

>  <MolWeight> (886)
288.2704232

>  <COMPOUND_NAME> (886)
WAY-301398

>  <BAR_CODE_NO> (886)
3903824

$$$$
WAY-301400
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.8069    0.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8448    0.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1897    0.0517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6103    1.6517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7069    0.8828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0345   -0.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9655    0.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4793    1.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7448    0.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5207    1.9655    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.0724   -1.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0897    0.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0138    2.8034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9207   -0.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5448   -0.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6069   -0.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8897   -1.1862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6069   -1.7483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5448   -2.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3276   -3.1724    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  2  0  0  0  0
  9 14  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
  7  8  1  0  0  0  0
 11 14  2  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (887)
887

>  <Formula> (887)
C14H7BrFNO3

>  <MolWeight> (887)
336.1126832

>  <COMPOUND_NAME> (887)
WAY-301400

>  <BAR_CODE_NO> (887)
3903827

$$$$
WAY-301412
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -0.3069    1.2966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3069    0.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4069    1.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0241    1.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0207    0.0621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4069    0.0586    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1207    1.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4069    2.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7345    1.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0241    2.5345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7310    0.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4069   -0.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8345    1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1241    2.9414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4448    1.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4448    0.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1207   -1.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8379    2.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1586    1.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1586    0.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1207   -2.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8379   -0.7655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4069   -2.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8379   -2.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4069   -3.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8345   -3.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1172   -3.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1172   -4.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  2  0  0  0  0
  9 15  2  0  0  0  0
 11 16  2  0  0  0  0
 12 17  1  0  0  0  0
 13 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 17 22  2  0  0  0  0
 21 23  2  0  0  0  0
 21 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  2  0  0  0  0
 27 28  1  0  0  0  0
  9 11  1  0  0  0  0
 14 18  1  0  0  0  0
 19 20  2  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (888)
888

>  <Formula> (888)
C23H18N2O2S

>  <MolWeight> (888)
386.46622

>  <COMPOUND_NAME> (888)
WAY-301412

>  <BAR_CODE_NO> (888)
3903839

$$$$
WAY-301423
csChFnd80/06171916322D

 29 31  0  0  0  0  0  0  0  0999 V2000
   -1.4276   -0.3203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7586    0.0693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0965    0.0693    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4276   -1.0928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0896   -0.3203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7689    0.4521    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4827   -0.6031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7034    0.7348    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7586   -1.4790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0965   -1.4790    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0896   -1.0928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5793    0.0693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7689    1.2245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4345    0.0693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5793   -1.4790    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2483   -0.3203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5793    0.8417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4483    1.6141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1034    0.4521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9104    0.0659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1034    1.2245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5793   -0.3203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2483    0.0659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5793   -1.0928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2483    0.8383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9173   -0.3203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9173    1.2245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5862    0.0659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5862    0.8383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 17  2  0  0  0  0
 13 18  1  0  0  0  0
 14 19  1  0  0  0  0
 16 20  1  0  0  0  0
 18 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  2  0  0  0  0
 23 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  2  0  0  0  0
 27 29  2  0  0  0  0
  9 11  1  0  0  0  0
 19 21  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (889)
889

>  <Formula> (889)
C20H19Cl2NO5S

>  <MolWeight> (889)
456.33956

>  <COMPOUND_NAME> (889)
WAY-301423

>  <BAR_CODE_NO> (889)
3903851

$$$$
WAY-301433
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -1.2448    0.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9586    0.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1759    0.4207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2483   -0.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9586    1.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6690    0.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1759   -0.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5345   -0.8138    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6724    2.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3828    0.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8897   -0.8207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3862    1.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6069   -0.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3138   -0.8207    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.6069    0.4172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -1.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0655   -0.4862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000   -1.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6138   -1.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  9 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
  7  8  1  0  0  0  0
 10 12  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (890)
890

>  <Formula> (890)
C14H14N2O2S

>  <MolWeight> (890)
274.33816

>  <COMPOUND_NAME> (890)
WAY-301433

>  <BAR_CODE_NO> (890)
3903861

$$$$
WAY-389270
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   10.7167   -9.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2625  -10.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6292   -9.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3250  -10.1250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.4375   -8.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7167  -11.2917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1000  -10.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4292   -9.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6292  -11.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0875   -8.4875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5917  -13.1875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.0792  -12.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3792   -7.5667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0417  -14.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3250   -7.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3125   -8.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0042   -8.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4625   -7.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8375   -6.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8500   -8.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5667  -15.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9625  -14.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4000  -15.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0125  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9167  -15.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  2  0  0  0  0
  8  5  2  0  0  0  0
  9  7  1  0  0  0  0
 10  3  1  0  0  0  0
 11 12  1  0  0  0  0
 12  9  1  0  0  0  0
 13 18  1  0  0  0  0
 14 11  1  0  0  0  0
 15  5  1  0  0  0  0
 16  8  1  0  0  0  0
 17 10  1  0  0  0  0
 18 17  1  0  0  0  0
 19 13  1  0  0  0  0
 20 13  1  0  0  0  0
 21 14  2  0  0  0  0
 22 14  1  0  0  0  0
 23 22  2  0  0  0  0
 24 21  1  0  0  0  0
 25 23  1  0  0  0  0
  4  8  1  0  0  0  0
  9  6  2  0  0  0  0
 25 24  2  0  0  0  0
M  END
>  <Mol_ID> (891)
891

>  <Formula> (891)
C19H24N4S2

>  <MolWeight> (891)
372.55066

>  <COMPOUND_NAME> (891)
WAY-389270

>  <BAR_CODE_NO> (891)
2541839

$$$$
WAY-389273
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    9.3625   -6.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7167   -7.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7167   -5.7667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6667   -6.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6667   -7.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4542   -6.6667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.9792   -1.8125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6500   -2.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1167   -7.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1750   -9.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5792  -10.6292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6542   -8.5792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.0250   -8.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7292  -10.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -9.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6625   -6.6792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0042   -7.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0542   -4.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2042   -9.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3167   -3.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7167   -5.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7167   -7.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7625   -6.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7625   -7.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  8  3  0  0  0  0
  8 20  1  0  0  0  0
  9 17  1  0  0  0  0
 10 19  1  0  0  0  0
 11 10  1  0  0  0  0
 12  9  1  0  0  0  0
 13 10  2  0  0  0  0
 14 11  1  0  0  0  0
 15 13  1  0  0  0  0
 16  9  2  0  0  0  0
 17  6  1  0  0  0  0
 18  3  1  0  0  0  0
 19 12  1  0  0  0  0
 20 18  1  0  0  0  0
 21  4  2  0  0  0  0
 22  5  2  0  0  0  0
 23 21  1  0  0  0  0
 24 22  1  0  0  0  0
  5  4  1  0  0  0  0
 24 23  2  0  0  0  0
 15 14  2  0  0  0  0
M  END
>  <Mol_ID> (892)
892

>  <Formula> (892)
C17H16N4O2S

>  <MolWeight> (892)
340.39954

>  <COMPOUND_NAME> (892)
WAY-389273

>  <BAR_CODE_NO> (892)
2541842

$$$$
WAY-389286
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
    9.0917   -5.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7125   -5.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9042   -4.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7792   -4.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9042   -6.4875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7750   -6.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0917   -3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.9042   -6.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5917   -4.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2167   -5.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2250   -7.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5917   -6.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1542   -6.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8292   -5.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8417   -7.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9917   -3.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7167   -0.6042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9167   -4.1917    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   15.2792   -6.5792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9167   -8.9625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7042   -2.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7792   -1.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4042   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4042   -6.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0917   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0167   -1.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3000   -8.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9667   -5.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -10.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2042   -6.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2042   -4.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  2  0  0  0  0
  7  4  1  0  0  0  0
  8 11  1  0  0  0  0
  9  3  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12  5  1  0  0  0  0
 13  6  1  0  0  0  0
 14 13  2  0  0  0  0
 15 13  1  0  0  0  0
 16  4  2  0  0  0  0
 17 25  1  0  0  0  0
 18 10  1  0  0  0  0
 19  8  1  0  0  0  0
 20 11  1  0  0  0  0
 21  7  1  0  0  0  0
 22  7  1  0  0  0  0
 23  9  2  0  0  0  0
 24 12  2  0  0  0  0
 25 22  1  0  0  0  0
 26 21  1  0  0  0  0
 27 20  1  0  0  0  0
 28 19  1  0  0  0  0
 29 27  1  0  0  0  0
 30 24  1  0  0  0  0
 31 23  1  0  0  0  0
 12  9  1  0  0  0  0
  8 10  2  0  0  0  0
 17 26  1  0  0  0  0
 30 31  2  0  0  0  0
M  END
>  <Mol_ID> (893)
893

>  <Formula> (893)
C23H24ClN3O4

>  <MolWeight> (893)
441.90736

>  <COMPOUND_NAME> (893)
WAY-389286

>  <BAR_CODE_NO> (893)
2541856

$$$$
WAY-389300
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
    7.7875   -5.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9417   -4.8667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8250   -6.5167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7000   -5.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0042   -6.8667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8042   -4.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1292   -9.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4792   -7.9542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8417   -6.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9417   -5.8292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.5167  -10.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3667   -9.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6792   -5.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4375   -5.7917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5792   -6.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2792  -10.1125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.9292    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.9417   -3.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5292   -6.2625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3875  -11.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9917  -10.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1417  -11.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6875   -4.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5167   -6.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9667   -2.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8250   -3.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 15  1  0  0  0  0
 10  4  1  0  0  0  0
 11  7  1  0  0  0  0
 12  7  2  0  0  0  0
 13  6  2  0  0  0  0
 14  9  2  0  0  0  0
 15 10  1  0  0  0  0
 16 11  1  0  0  0  0
 17 12  1  0  0  0  0
 18  6  1  0  0  0  0
 19 13  1  0  0  0  0
 20 21  2  0  0  0  0
 21 12  1  0  0  0  0
 22 11  2  0  0  0  0
 23 13  1  0  0  0  0
 24 19  1  0  0  0  0
 25 18  2  0  0  0  0
 26 25  1  0  0  0  0
  4  5  2  0  0  0  0
 23 26  2  0  0  0  0
 22 20  1  0  0  0  0
M  END
>  <Mol_ID> (894)
894

>  <Formula> (894)
C17H13Cl2N3O3S

>  <MolWeight> (894)
410.27442

>  <COMPOUND_NAME> (894)
WAY-389300

>  <BAR_CODE_NO> (894)
2541872

$$$$
WAY-389311
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    9.1542   -4.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4792   -3.5667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4792   -5.4042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4125   -5.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4125   -3.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2875   -4.4917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.0167   -5.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6042   -6.4667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6000   -4.4417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8417   -5.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8292   -6.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7250   -6.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4292   -9.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2917   -7.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -10.3042    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.9750   -8.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3250   -9.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4125   -7.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7542   -8.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4292   -5.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4292   -3.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4500   -5.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4500   -3.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7 10  1  0  0  0  0
  8  7  1  0  0  0  0
  9  7  2  0  0  0  0
 10  6  1  0  0  0  0
 11  3  1  0  0  0  0
 12  8  1  0  0  0  0
 13 17  2  0  0  0  0
 14 12  1  0  0  0  0
 15 13  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 14  1  0  0  0  0
 19 14  2  0  0  0  0
 20  4  2  0  0  0  0
 21  5  2  0  0  0  0
 22 20  1  0  0  0  0
 23 21  1  0  0  0  0
  5  4  1  0  0  0  0
 23 22  2  0  0  0  0
 16 13  1  0  0  0  0
M  END
>  <Mol_ID> (895)
895

>  <Formula> (895)
C17H16FN3OS

>  <MolWeight> (895)
329.3918432

>  <COMPOUND_NAME> (895)
WAY-389311

>  <BAR_CODE_NO> (895)
2541883

$$$$
WAY-389313
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    8.5792   -4.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9417   -3.7667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9042   -4.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6750   -4.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2042   -5.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9542   -5.5292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.9125   -5.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0417   -3.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3042   -5.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9792   -6.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4542   -5.5917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0375   -3.8542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6542   -6.5542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2792   -7.7167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8417   -4.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8042   -6.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4417   -5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9042   -6.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8750   -4.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1667   -3.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1917   -2.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3167   -2.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3292   -1.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  3  1  0  0  0  0
  9  5  1  0  0  0  0
 10 11  1  0  0  0  0
 11 17  1  0  0  0  0
 12  8  1  0  0  0  0
 13  5  2  0  0  0  0
 14 10  2  0  0  0  0
 15  9  1  0  0  0  0
 16  9  2  0  0  0  0
 17 18  2  0  0  0  0
 18 16  1  0  0  0  0
 19 15  2  0  0  0  0
 20 12  2  0  0  0  0
 21 10  1  0  0  0  0
 22  8  2  0  0  0  0
 23 24  2  0  0  0  0
 24 22  1  0  0  0  0
  7  3  2  0  0  0  0
 17 19  1  0  0  0  0
 23 20  1  0  0  0  0
M  END
>  <Mol_ID> (896)
896

>  <Formula> (896)
C17H14N4O2S

>  <MolWeight> (896)
338.38366

>  <COMPOUND_NAME> (896)
WAY-389313

>  <BAR_CODE_NO> (896)
2541886

$$$$
WAY-389357
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    8.6250   -5.0542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3417   -2.9542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4000   -5.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2542   -6.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5750   -2.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7542   -4.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2167   -3.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9750   -8.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1917   -8.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3375   -7.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1042   -7.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4667   -6.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1625   -1.8542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6625   -7.1792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9125   -6.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7792   -7.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3917   -9.2167    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.1500   -5.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.9917    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.8167   -6.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5417   -4.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9625   -5.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  7  1  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8 10  2  0  0  0  0
  9  8  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  4  1  0  0  0  0
 13  5  2  0  0  0  0
 14  4  2  0  0  0  0
 15 10  1  0  0  0  0
 16 18  1  0  0  0  0
 17  8  1  0  0  0  0
 18 15  2  0  0  0  0
 19 16  1  0  0  0  0
 20  3  2  0  0  0  0
 21  6  2  0  0  0  0
 22 20  1  0  0  0  0
 23 22  2  0  0  0  0
  6  2  1  0  0  0  0
 21 23  1  0  0  0  0
 16  9  2  0  0  0  0
M  END
>  <Mol_ID> (897)
897

>  <Formula> (897)
C16H12BrFN2O3

>  <MolWeight> (897)
379.1804832

>  <COMPOUND_NAME> (897)
WAY-389357

>  <BAR_CODE_NO> (897)
2541933

$$$$
WAY-389360
csChFnd80/06171916322D

 28 30  0  0  0  0  0  0  0  0999 V2000
    9.6917   -4.8542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5792   -5.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2250   -6.9917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4875   -6.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4917   -4.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3292   -5.9292    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   14.0917   -5.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1292   -8.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1917   -4.8167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3875   -5.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8792   -3.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3875   -8.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3500   -5.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9625   -4.7542    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   13.5167   -9.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7250   -7.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2667   -6.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6875   -3.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4500   -2.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4250   -4.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1542  -10.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0750   -2.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8375   -1.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3417   -5.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1875   -7.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2167   -6.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6417   -1.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  6  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  4  2  0  0  0  0
  8  4  1  0  0  0  0
  9  2  2  0  0  0  0
 10  5  1  0  0  0  0
 11  5  1  0  0  0  0
 12  8  2  0  0  0  0
 13  7  1  0  0  0  0
 14 12  1  0  0  0  0
 15 13  1  0  0  0  0
 16  8  1  0  0  0  0
 17  6  1  0  0  0  0
 18 10  1  0  0  0  0
 19 11  2  0  0  0  0
 20 11  1  0  0  0  0
 21 10  2  0  0  0  0
 22 16  1  0  0  0  0
 23 19  1  0  0  0  0
 24 20  2  0  0  0  0
 25 21  1  0  0  0  0
 26 18  2  0  0  0  0
 27 25  2  0  0  0  0
 28 24  1  0  0  0  0
 28 23  2  0  0  0  0
 26 27  1  0  0  0  0
 13 14  2  0  0  0  0
M  END
>  <Mol_ID> (898)
898

>  <Formula> (898)
C23H23ClN2O2

>  <MolWeight> (898)
394.89392

>  <COMPOUND_NAME> (898)
WAY-389360

>  <BAR_CODE_NO> (898)
2541937

$$$$
WAY-389676
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    9.7792   -9.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2917  -10.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7542   -9.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3000  -10.4625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.4667   -9.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7750  -11.5542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2500  -10.6542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4042   -9.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7500  -11.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2500   -8.8917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7042  -13.3417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.2167  -12.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1792  -14.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3667   -8.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2417   -8.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6792   -7.9875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2125   -8.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7000   -7.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6667  -15.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1542  -14.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1625   -7.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6167  -15.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1417  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1042  -15.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  2  0  0  0  0
  8  5  2  0  0  0  0
  9  7  1  0  0  0  0
 10  3  1  0  0  0  0
 11 12  1  0  0  0  0
 12  9  1  0  0  0  0
 13 11  1  0  0  0  0
 14  5  1  0  0  0  0
 15  8  1  0  0  0  0
 16 18  1  0  0  0  0
 17 10  1  0  0  0  0
 18 17  1  0  0  0  0
 19 13  2  0  0  0  0
 20 13  1  0  0  0  0
 21 16  1  0  0  0  0
 22 20  2  0  0  0  0
 23 19  1  0  0  0  0
 24 22  1  0  0  0  0
  8  4  1  0  0  0  0
  6  9  2  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (899)
899

>  <Formula> (899)
C18H21N3OS2

>  <MolWeight> (899)
359.50884

>  <COMPOUND_NAME> (899)
WAY-389676

>  <BAR_CODE_NO> (899)
2542274

$$$$
WAY-389399
csChFnd80/06171916322D

 31 33  0  0  0  0  0  0  0  0999 V2000
   -0.7083    1.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2125   -4.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7000   -4.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2125   -4.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1792   -5.7542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7000   -4.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2125    0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292   -3.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1792   -5.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7708   -2.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1958    2.1208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7333   -0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208    0.3833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1875    2.1083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2458   -1.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375   -2.2250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7042   -4.9167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7250   -3.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2417   -2.2750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2833   -3.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9792   -3.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1375   -3.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2208    0.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042   -4.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6667   -6.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2458   -1.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7333   -0.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1958    2.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958    2.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1875   -5.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6667   -6.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  8  1  0  0  0  0
  3  4  1  0  0  0  0
  4  2  1  0  0  0  0
  5  9  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8 18  1  0  0  0  0
  9  6  1  0  0  0  0
 10 15  1  0  0  0  0
 11  1  1  0  0  0  0
 12  7  2  0  0  0  0
 13  1  2  0  0  0  0
 14  1  2  0  0  0  0
 15 12  1  0  0  0  0
 16 10  1  0  0  0  0
 17  3  2  0  0  0  0
 18 16  1  0  0  0  0
 19  8  2  0  0  0  0
 20 10  2  0  0  0  0
 21  4  1  0  0  0  0
 22  4  1  0  0  0  0
 23  7  1  0  0  0  0
 24  6  2  0  0  0  0
 25  9  2  0  0  0  0
 26 27  1  0  0  0  0
 27 23  2  0  0  0  0
 28 11  1  0  0  0  0
 29 11  1  0  0  0  0
 30 24  1  0  0  0  0
 31 30  2  0  0  0  0
 26 15  2  0  0  0  0
  5  3  1  0  0  0  0
 31 25  1  0  0  0  0
M  END
>  <Mol_ID> (900)
900

>  <Formula> (900)
C21H23N3O6S

>  <MolWeight> (900)
445.48882

>  <COMPOUND_NAME> (900)
WAY-389399

>  <BAR_CODE_NO> (900)
2542015

$$$$
WAY-389408
csChFnd80/06171916322D

 27 28  0  0  0  0  0  0  0  0999 V2000
    7.2750  -13.6750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4417   -4.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833   -2.6167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0167  -12.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417   -1.8042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667   -5.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0500   -2.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208   -4.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9250   -9.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1875  -10.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0917   -8.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6667  -14.4167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8750  -12.9292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5292  -15.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2542   -6.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8500   -5.5792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4917   -9.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5875  -12.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5125   -7.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9917   -5.4917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3250  -10.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6667   -6.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5917   -2.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1583   -5.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0000  -13.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7250  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2417   -8.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  6  1  0  0  0  0
  3  8  2  0  0  0  0
  4  1  1  0  0  0  0
  5  7  1  0  0  0  0
  6 16  1  0  0  0  0
  7  2  2  0  0  0  0
  8  2  1  0  0  0  0
  9 10  1  0  0  0  0
 10  4  2  0  0  0  0
 11  9  1  0  0  0  0
 12  1  1  0  0  0  0
 13  1  2  0  0  0  0
 14  1  2  0  0  0  0
 15 11  1  0  0  0  0
 16 22  1  0  0  0  0
 17 21  1  0  0  0  0
 18  4  1  0  0  0  0
 19  6  2  0  0  0  0
 20 15  2  0  0  0  0
 21 18  2  0  0  0  0
 22 15  1  0  0  0  0
 23  7  1  0  0  0  0
 24  8  1  0  0  0  0
 25 12  1  0  0  0  0
 26 12  1  0  0  0  0
 27 17  1  0  0  0  0
 17  9  2  0  0  0  0
  5  3  1  0  0  0  0
M  END
>  <Mol_ID> (901)
901

>  <Formula> (901)
C17H21N3O6S

>  <MolWeight> (901)
395.43014

>  <COMPOUND_NAME> (901)
WAY-389408

>  <BAR_CODE_NO> (901)
2541977

$$$$
WAY-389412
csChFnd80/06171916322D

 28 30  0  0  0  0  0  0  0  0999 V2000
   -1.5058   -0.3686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8368    0.0142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1713    0.0073    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5058   -1.1376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1679   -0.3686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8403    0.4004    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5506   -0.6617    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7782    0.6762    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8368   -1.5272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1679   -1.1376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5011    0.0142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5093    0.0142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8403    1.1728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5011   -1.5272    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.1700   -0.3686    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5011    0.7866    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1782    0.4004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5093    1.5590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8390    0.0073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1782    1.1728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5045   -0.3686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1735    0.0073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5045   -1.1376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8425   -0.3686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1735    0.7797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5114    0.0073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8425    1.1728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5114    0.7797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  2  0  0  0  0
 12 17  1  0  0  0  0
 13 18  1  0  0  0  0
 15 19  1  0  0  0  0
 17 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  1  0  0  0  0
 22 25  2  0  0  0  0
 24 26  2  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
  9 10  1  0  0  0  0
 18 20  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <Mol_ID> (902)
902

>  <Formula> (902)
C20H20ClNO5S

>  <MolWeight> (902)
421.8945

>  <COMPOUND_NAME> (902)
WAY-389412

>  <BAR_CODE_NO> (902)
2541982

$$$$
WAY-389465
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    6.2125   -4.5792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2667   -4.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2917   -5.9167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8167   -5.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2417   -6.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5042   -4.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4000   -3.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6917   -3.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6375   -2.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3167   -6.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8125   -5.3667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.8042   -5.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8042   -5.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3000   -4.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3250   -6.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8292   -7.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3167   -6.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5542   -4.5875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.2917   -4.4542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8292   -7.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8167   -1.9500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.3417   -7.9417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7917   -3.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8500   -8.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  9  1  0  0  0  0
  9  7  2  0  0  0  0
 10 15  1  0  0  0  0
 11  4  1  0  0  0  0
 12 13  2  0  0  0  0
 13 10  1  0  0  0  0
 14 12  1  0  0  0  0
 15 11  1  0  0  0  0
 16 10  2  0  0  0  0
 17 20  2  0  0  0  0
 18  6  1  0  0  0  0
 19 14  2  0  0  0  0
 20 16  1  0  0  0  0
 21  9  1  0  0  0  0
 22 16  1  0  0  0  0
 23 14  1  0  0  0  0
 24 22  1  0  0  0  0
  5  3  1  0  0  0  0
  6  8  2  0  0  0  0
 17 12  1  0  0  0  0
M  END
>  <Mol_ID> (903)
903

>  <Formula> (903)
C16H13Cl2N3O2S

>  <MolWeight> (903)
382.26432

>  <COMPOUND_NAME> (903)
WAY-389465

>  <BAR_CODE_NO> (903)
2542045

$$$$
WAY-389469
csChFnd80/06171916322D

 17 18  0  0  0  0  0  0  0  0999 V2000
    7.9042   -9.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7542  -10.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9042   -8.8917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0542   -8.3875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.4667  -10.3875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7500  -11.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0500  -10.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0542   -7.3667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.6167   -9.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6042  -11.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6167  -12.8625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   10.4667  -11.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1750   -8.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9042   -6.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1750   -6.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3042   -8.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3042   -7.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  9  2  0  0  0  0
  6  2  2  0  0  0  0
  7  1  2  0  0  0  0
  8  4  1  0  0  0  0
  9  2  1  0  0  0  0
 10  6  1  0  0  0  0
 11 10  1  0  0  0  0
 12  5  1  0  0  0  0
 13  4  1  0  0  0  0
 14  8  1  0  0  0  0
 15  8  1  0  0  0  0
 16 13  1  0  0  0  0
 17 16  1  0  0  0  0
 10 12  2  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <Mol_ID> (904)
904

>  <Formula> (904)
C13H17BrN2O

>  <MolWeight> (904)
297.19088

>  <COMPOUND_NAME> (904)
WAY-389469

>  <BAR_CODE_NO> (904)
2542033

$$$$
WAY-389491
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
    6.2542   -9.3292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1875   -7.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2417  -10.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0917   -7.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1625  -10.9250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2042   -6.0167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0792   -9.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4417   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3917   -6.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1292   -4.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3042   -2.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3167  -12.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3292    0.0875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1625   -2.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4167   -4.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6917   -1.5167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0167   -5.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9875   -9.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3042  -14.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4042  -12.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9167   -5.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9042   -7.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4750  -14.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3875  -15.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4667  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  2  0  0  0  0
  6  2  1  0  0  0  0
  7  5  1  0  0  0  0
  8 11  1  0  0  0  0
  9  6  1  0  0  0  0
 10  6  1  0  0  0  0
 11 14  1  0  0  0  0
 12  3  1  0  0  0  0
 13  8  2  0  0  0  0
 14 10  1  0  0  0  0
 15  9  1  0  0  0  0
 16  8  1  0  0  0  0
 17  4  1  0  0  0  0
 18  7  1  0  0  0  0
 19 12  2  0  0  0  0
 20 12  1  0  0  0  0
 21 17  2  0  0  0  0
 22 18  2  0  0  0  0
 23 20  2  0  0  0  0
 24 19  1  0  0  0  0
 25 23  1  0  0  0  0
  7  4  2  0  0  0  0
 11 15  1  0  0  0  0
 25 24  2  0  0  0  0
 22 21  1  0  0  0  0
M  END
>  <Mol_ID> (905)
905

>  <Formula> (905)
C20H20N4O

>  <MolWeight> (905)
332.399

>  <COMPOUND_NAME> (905)
WAY-389491

>  <BAR_CODE_NO> (905)
2542076

$$$$
WAY-389492
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   12.7375   -7.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0250   -2.8667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.8792   -5.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3792   -6.7875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.9792   -4.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5292   -5.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2000   -5.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9167   -8.6250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3792   -7.1917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6917   -2.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208   -4.5917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333   -1.1542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2292   -8.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458   -2.8792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3417   -4.2750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5542   -4.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5167   -1.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6125   -2.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2125   -1.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2500   -4.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0792   -2.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -4.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6542   -4.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7917   -2.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 10  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  7  3  1  0  0  0  0
  8  1  1  0  0  0  0
  9 13  1  0  0  0  0
 10 16  2  0  0  0  0
 11  2  2  0  0  0  0
 12  2  2  0  0  0  0
 13  8  2  0  0  0  0
 14  2  1  0  0  0  0
 15  7  1  0  0  0  0
 16 20  1  0  0  0  0
 17 19  2  0  0  0  0
 18  5  1  0  0  0  0
 19 21  1  0  0  0  0
 20 21  2  0  0  0  0
 21 24  1  0  0  0  0
 22  6  1  0  0  0  0
 23 15  1  0  0  0  0
 24 23  1  0  0  0  0
  5  6  2  0  0  0  0
  9  7  2  0  0  0  0
 10 17  1  0  0  0  0
M  END
>  <Mol_ID> (906)
906

>  <Formula> (906)
C16H18N4O2S2

>  <MolWeight> (906)
362.46972

>  <COMPOUND_NAME> (906)
WAY-389492

>  <BAR_CODE_NO> (906)
2542103

$$$$
WAY-389528
csChFnd80/06171916322D

 30 32  0  0  0  0  0  0  0  0999 V2000
    6.9042   -3.8167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0792   -4.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7667   -3.3292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0792   -4.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5042   -4.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5542   -5.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0292   -6.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9917   -3.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8917  -11.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5542   -5.8167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5000   -7.5917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4042  -10.9917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0417   -6.6542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5625   -5.8625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8917  -11.8750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0375   -6.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9250  -10.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9750   -8.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4042   -5.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4875   -3.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4542   -9.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9292  -10.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9792   -8.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4542   -9.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3875  -12.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9042   -2.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1750   -3.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2625   -3.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9917   -1.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1750   -2.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  2  0  0  0  0
  6  2  1  0  0  0  0
  7 16  1  0  0  0  0
  8  1  1  0  0  0  0
  9 12  1  0  0  0  0
 10  6  1  0  0  0  0
 11  7  1  0  0  0  0
 12 17  1  0  0  0  0
 13  6  2  0  0  0  0
 14  7  2  0  0  0  0
 15  9  2  0  0  0  0
 16 10  1  0  0  0  0
 17 22  1  0  0  0  0
 18 11  1  0  0  0  0
 19  4  1  0  0  0  0
 20  5  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 18  2  0  0  0  0
 24 18  1  0  0  0  0
 25  9  1  0  0  0  0
 26  8  2  0  0  0  0
 27  8  1  0  0  0  0
 28 27  2  0  0  0  0
 29 26  1  0  0  0  0
 30 28  1  0  0  0  0
  2  5  1  0  0  0  0
 29 30  2  0  0  0  0
 21 17  2  0  0  0  0
M  END
>  <Mol_ID> (907)
907

>  <Formula> (907)
C22H22N4O4

>  <MolWeight> (907)
406.43448

>  <COMPOUND_NAME> (907)
WAY-389528

>  <BAR_CODE_NO> (907)
2542115

$$$$
WAY-389535
csChFnd80/06171916322D

 24 25  0  0  0  0  0  0  0  0999 V2000
    0.9167   -2.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083   -1.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5375   -1.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4375   -3.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917   -1.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833   -2.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4917   -5.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4875   -5.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0167   -6.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9625   -4.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0167   -5.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4375   -3.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9542   -4.4417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4292   -3.4792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9542   -4.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9625   -4.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4875   -5.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9542   -4.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5292   -6.9042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4792   -5.0667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2792   -1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7333   -3.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0625   -7.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9542   -4.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  6  2  0  0  0  0
  3  5  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  1  0  0  0  0
  7 10  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10 16  1  0  0  0  0
 11  9  1  0  0  0  0
 12  4  1  0  0  0  0
 13  4  2  0  0  0  0
 14 10  2  0  0  0  0
 15  8  1  0  0  0  0
 16 12  1  0  0  0  0
 17 18  1  0  0  0  0
 18 15  2  0  0  0  0
 19  9  1  0  0  0  0
 20 17  1  0  0  0  0
 21  5  1  0  0  0  0
 22  6  1  0  0  0  0
 23 19  1  0  0  0  0
 24 20  1  0  0  0  0
  2  3  1  0  0  0  0
 11 17  2  0  0  0  0
M  END
>  <Mol_ID> (908)
908

>  <Formula> (908)
C16H18N2O6

>  <MolWeight> (908)
334.32392

>  <COMPOUND_NAME> (908)
WAY-389535

>  <BAR_CODE_NO> (908)
2542120

$$$$
WAY-389562
csChFnd80/06171916322D

 20 21  0  0  0  0  0  0  0  0999 V2000
    3.7542   -3.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2500   -2.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7417   -3.8125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7417    1.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7417   -2.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7417    1.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3625   -4.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9750   -4.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2417   -2.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7292   -1.9917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7417   -0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1167   -5.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7417   -2.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417   -2.8792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417   -1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2417    0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417    2.3333    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.7417   -0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2417    2.3375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  8  1  0  0  0  0
  5 14  1  0  0  0  0
  6 17  1  0  0  0  0
  7  1  2  0  0  0  0
  8 12  2  0  0  0  0
  9  3  1  0  0  0  0
 10  2  1  0  0  0  0
 11  2  2  0  0  0  0
 12 16  1  0  0  0  0
 13  7  1  0  0  0  0
 14 10  1  0  0  0  0
 15  5  2  0  0  0  0
 16  5  1  0  0  0  0
 17 19  2  0  0  0  0
 18  4  1  0  0  0  0
 19 12  1  0  0  0  0
 20  6  1  0  0  0  0
 13  9  2  0  0  0  0
  4  6  2  0  0  0  0
M  END
>  <Mol_ID> (909)
909

>  <Formula> (909)
C14H11Cl2NO3

>  <MolWeight> (909)
312.14804

>  <COMPOUND_NAME> (909)
WAY-389562

>  <BAR_CODE_NO> (909)
2542152

$$$$
WAY-389591
csChFnd80/06171916322D

 22 23  0  0  0  0  0  0  0  0999 V2000
    1.3292   -2.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292   -2.8792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167   -1.1417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6750   -2.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833   -1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1708   -2.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8375   -2.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3292   -2.0042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.3167   -1.9917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3417   -3.7042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8292   -2.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8500   -4.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6750   -2.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6875   -0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3750   -5.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8542   -4.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8792   -6.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3792   -5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3792   -7.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8792   -6.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3875   -7.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  5  2  0  0  0  0
  5  3  1  0  0  0  0
  6  2  2  0  0  0  0
  7 11  1  0  0  0  0
  8  1  1  0  0  0  0
  9  7  2  0  0  0  0
 10  7  1  0  0  0  0
 11  8  1  0  0  0  0
 12 10  1  0  0  0  0
 13  4  1  0  0  0  0
 14  6  1  0  0  0  0
 15  5  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
 18 16  1  0  0  0  0
 19 16  2  0  0  0  0
 20 18  2  0  0  0  0
 21 19  1  0  0  0  0
 22 21  2  0  0  0  0
  4  6  1  0  0  0  0
 22 20  1  0  0  0  0
M  END
>  <Mol_ID> (910)
910

>  <Formula> (910)
C17H21N3OS

>  <MolWeight> (910)
315.43314

>  <COMPOUND_NAME> (910)
WAY-389591

>  <BAR_CODE_NO> (910)
2542173

$$$$
WAY-389636
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
    8.1125   -4.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6000   -3.8625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5542   -3.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5750   -5.6750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0167   -4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5375   -5.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1542   -4.7750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.7375   -5.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2625   -6.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.9125   -7.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6750   -5.6750    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.8667   -7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0417   -2.9417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4042   -6.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3167   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4542   -8.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2625   -4.7667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4500   -6.5292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1417   -2.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8625   -5.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8042   -5.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9792   -4.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0042   -6.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1625   -1.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5125   -8.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1625   -6.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6292   -2.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6417   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4417   -5.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9542   -6.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  2  0  0  0  0
  5  6  1  0  0  0  0
  6  4  1  0  0  0  0
  7  1  1  0  0  0  0
  8 11  1  0  0  0  0
  9  8  1  0  0  0  0
 10 12  2  0  0  0  0
 11  7  1  0  0  0  0
 12 15  1  0  0  0  0
 13  3  2  0  0  0  0
 14 20  2  0  0  0  0
 15  9  1  0  0  0  0
 16 10  1  0  0  0  0
 17  8  2  0  0  0  0
 18 14  1  0  0  0  0
 19  2  1  0  0  0  0
 20 21  1  0  0  0  0
 21 15  2  0  0  0  0
 22  5  2  0  0  0  0
 23  6  2  0  0  0  0
 24 28  1  0  0  0  0
 25 16  1  0  0  0  0
 26 18  1  0  0  0  0
 27 11  1  0  0  0  0
 28 19  1  0  0  0  0
 29 24  1  0  0  0  0
 30 31  2  0  0  0  0
 31 23  1  0  0  0  0
  5  3  1  0  0  0  0
 22 30  1  0  0  0  0
 14 10  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (911)
911

>  <Formula> (911)
C22H23N3O5S

>  <MolWeight> (911)
441.50012

>  <COMPOUND_NAME> (911)
WAY-389636

>  <BAR_CODE_NO> (911)
2542217

$$$$
WAY-389641
csChFnd80/06171916322D

 25 26  0  0  0  0  0  0  0  0999 V2000
    6.6542   -5.5375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2500   -6.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0625   -4.5417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4042   -6.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6625   -6.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6417   -4.9417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7542   -8.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1792   -7.5042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0125   -7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9250   -8.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1667   -9.5167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6667   -9.5375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.2500  -10.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5000   -9.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4042  -12.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9792  -13.5792    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   15.4167  -10.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6625  -11.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -11.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2417  -12.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6792   -7.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2792   -8.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000   -4.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6167   -3.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4542   -8.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  1  2  0  0  0  0
  6  1  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  4  1  0  0  0  0
 10  7  1  0  0  0  0
 11  7  2  0  0  0  0
 12 14  1  0  0  0  0
 13 12  1  0  0  0  0
 14 10  1  0  0  0  0
 15 20  1  0  0  0  0
 16 15  1  0  0  0  0
 17 13  2  0  0  0  0
 18 13  1  0  0  0  0
 19 17  1  0  0  0  0
 20 18  2  0  0  0  0
 21  2  1  0  0  0  0
 22 21  2  0  0  0  0
 23  3  1  0  0  0  0
 24  3  1  0  0  0  0
 25 22  1  0  0  0  0
  9 25  2  0  0  0  0
 15 19  2  0  0  0  0
M  END
>  <Mol_ID> (912)
912

>  <Formula> (912)
C17H19ClN2O3S2

>  <MolWeight> (912)
398.92736

>  <COMPOUND_NAME> (912)
WAY-389641

>  <BAR_CODE_NO> (912)
2542222

$$$$
WAY-389660
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -1.6595    0.1312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2284    0.8312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9422   -0.7275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7974    0.2622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8974    1.6588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1043    0.7070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8077   -0.9240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3353   -1.3826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2733   -0.4447    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4595    1.0829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4422    2.3553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6491    1.4036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0698   -1.7757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6009   -2.2378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5888   -0.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3146    2.2312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4629   -2.4309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9509    0.4312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0957   -1.0757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7888    0.5139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9474   -0.9861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2991   -0.1826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1578   -0.0206    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4440    0.8346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7474   -0.6826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3681    1.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6819   -0.5137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9750    0.3070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 11 16  1  0  0  0  0
 13 17  1  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 12 16  2  0  0  0  0
 14 17  2  0  0  0  0
 21 22  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (913)
913

>  <Formula> (913)
C24H24N2O2

>  <MolWeight> (913)
372.45956

>  <COMPOUND_NAME> (913)
WAY-389660

>  <BAR_CODE_NO> (913)
2542254

$$$$
WAY-389761
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
    8.6542   -4.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3167   -3.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6625   -3.0167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6000   -3.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5917   -4.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4292   -3.9417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   15.4375   -8.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1042   -4.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3167   -8.8125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6542   -5.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9792   -4.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.8542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6750   -3.9625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6875   -5.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0917   -6.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7750   -5.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7667   -7.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3292   -6.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6417   -7.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6667   -4.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9875   -9.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7667   -5.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5500   -3.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5292   -3.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7417   -4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6250   -3.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 17  1  0  0  0  0
 10  8  1  0  0  0  0
 11  6  1  0  0  0  0
 12  7  2  0  0  0  0
 13  8  2  0  0  0  0
 14  5  1  0  0  0  0
 15 10  1  0  0  0  0
 16 10  2  0  0  0  0
 17 18  2  0  0  0  0
 18 16  1  0  0  0  0
 19 15  2  0  0  0  0
 20 14  1  0  0  0  0
 21  7  1  0  0  0  0
 22 20  1  0  0  0  0
 23 20  2  0  0  0  0
 24 23  1  0  0  0  0
 25 22  2  0  0  0  0
 26 24  2  0  0  0  0
  4  3  1  0  0  0  0
 26 25  1  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (914)
914

>  <Formula> (914)
C19H17N3O3S

>  <MolWeight> (914)
367.42158

>  <COMPOUND_NAME> (914)
WAY-389761

>  <BAR_CODE_NO> (914)
2542339

$$$$
WAY-389852
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
    8.9917   -8.0167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4917   -7.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5042   -8.9042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5292   -8.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9792   -6.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5167   -7.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0375   -8.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9667   -6.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4500   -5.3792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4750   -5.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4417   -3.7042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9750   -4.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9417   -2.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0542   -9.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4542   -7.1542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4042   -2.0292    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.9750   -2.8917    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.0167   -6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0542   -7.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0042   -6.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0125   -4.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5542   -7.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0417   -6.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5417   -5.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0417   -6.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8  5  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 12  1  0  0  0  0
 12 10  1  0  0  0  0
 13 11  1  0  0  0  0
 14  4  2  0  0  0  0
 15  8  2  0  0  0  0
 16 13  1  0  0  0  0
 17 13  1  0  0  0  0
 18  6  2  0  0  0  0
 19  7  2  0  0  0  0
 20 10  2  0  0  0  0
 21 12  2  0  0  0  0
 22 19  1  0  0  0  0
 23 18  1  0  0  0  0
 24 25  2  0  0  0  0
 25 20  1  0  0  0  0
  7  6  1  0  0  0  0
 22 23  2  0  0  0  0
 24 21  1  0  0  0  0
M  END
>  <Mol_ID> (915)
915

>  <Formula> (915)
C17H13F2N3O3

>  <MolWeight> (915)
345.3002264

>  <COMPOUND_NAME> (915)
WAY-389852

>  <BAR_CODE_NO> (915)
2542451

$$$$
WAY-389891
csChFnd80/06171916322D

 30 32  0  0  0  0  0  0  0  0999 V2000
   10.7292   -6.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1375   -5.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4000   -6.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0792   -4.2292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0000   -5.0042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.8875  -10.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5042   -7.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8500   -7.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1000   -9.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6375   -8.2792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4167   -4.6167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5875   -7.3250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2167  -10.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3500  -11.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6667   -5.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3875   -5.9792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6042   -3.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7542   -9.2167    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.0167  -11.9375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   14.9625   -8.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4542  -12.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1292  -12.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -11.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000   -6.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0125   -3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5000   -2.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1000   -1.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6750   -6.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6750   -3.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0167   -4.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  9  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9 10  1  0  0  0  0
 10  8  1  0  0  0  0
 11  2  2  0  0  0  0
 12  3  2  0  0  0  0
 13  6  1  0  0  0  0
 14  6  2  0  0  0  0
 15  5  1  0  0  0  0
 16  8  2  0  0  0  0
 17  5  1  0  0  0  0
 18 13  1  0  0  0  0
 19 14  1  0  0  0  0
 20 10  1  0  0  0  0
 21 22  2  0  0  0  0
 22 14  1  0  0  0  0
 23 13  2  0  0  0  0
 24 15  2  0  0  0  0
 25 15  1  0  0  0  0
 26 17  1  0  0  0  0
 27 26  1  0  0  0  0
 28 24  1  0  0  0  0
 29 25  2  0  0  0  0
 30 29  1  0  0  0  0
  5  4  1  0  0  0  0
 28 30  2  0  0  0  0
 23 21  1  0  0  0  0
M  END
>  <Mol_ID> (916)
916

>  <Formula> (916)
C22H23ClFN3O3

>  <MolWeight> (916)
431.8877232

>  <COMPOUND_NAME> (916)
WAY-389891

>  <BAR_CODE_NO> (916)
2542501

$$$$
WAY-389898
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -2.0570   -0.0666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7500   -0.3306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4390   -0.4806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8500    0.6834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9390   -1.0626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3890    0.0654    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8180   -0.0096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1000    0.6834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6680   -1.0986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9500   -0.4056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0890   -0.1806    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4390    0.3444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1680    0.1404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7140    0.6834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3570   -0.5736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    0.4554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7070   -0.2766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0250    0.9984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4390   -0.4446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7570    0.7944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9430    0.0804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 20 21  1  0  0  0  0
 10  9  2  0  0  0  0
  7  8  2  0  0  0  0
 19 21  2  0  0  0  0
 20 18  2  0  0  0  0
 17 19  1  0  0  0  0
 16 18  1  0  0  0  0
 16 17  2  0  0  0  0
 14 16  1  0  0  0  0
 13 15  2  0  0  0  0
 13 14  1  0  0  0  0
 12 13  1  0  0  0  0
 11 12  1  0  0  0  0
  7 11  1  0  0  0  0
  6 10  1  0  0  0  0
  5  9  1  0  0  0  0
  4  8  1  0  0  0  0
  3  7  1  0  0  0  0
  2  6  1  0  0  0  0
  5  2  2  0  0  0  0
  4  1  2  0  0  0  0
  1  3  1  0  0  0  0
  1  2  1  0  0  0  0
M  END
>  <Mol_ID> (917)
917

>  <Formula> (917)
C14H11N3O2S2

>  <MolWeight> (917)
317.38604

>  <COMPOUND_NAME> (917)
WAY-389898

>  <BAR_CODE_NO> (917)
2542479

$$$$
WAY-389920
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   14.9042  -11.4750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4042   -9.6417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0167  -10.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9500  -10.5750    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.3250   -9.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5667  -11.5042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8167  -11.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8917  -10.3875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9167  -12.5667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7875   -8.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9417   -8.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -11.4625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5542   -9.6375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3250   -7.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4042   -7.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2792  -12.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2750  -10.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6625  -11.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2042  -12.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2000  -10.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7042   -8.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4125  -11.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7917   -6.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1667   -7.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7042   -6.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6 18  1  0  0  0  0
  7  1  1  0  0  0  0
  8  1  2  0  0  0  0
  9  1  2  0  0  0  0
 10  5  1  0  0  0  0
 11  2  1  0  0  0  0
 12  1  1  0  0  0  0
 13  3  2  0  0  0  0
 14 15  1  0  0  0  0
 15 11  1  0  0  0  0
 16  7  1  0  0  0  0
 17  7  2  0  0  0  0
 18 20  2  0  0  0  0
 19 16  2  0  0  0  0
 20 17  1  0  0  0  0
 21 10  2  0  0  0  0
 22  4  1  0  0  0  0
 23 14  2  0  0  0  0
 24 21  1  0  0  0  0
 25 23  1  0  0  0  0
 18 19  1  0  0  0  0
 14 10  1  0  0  0  0
 25 24  2  0  0  0  0
M  END
>  <Mol_ID> (918)
918

>  <Formula> (918)
C18H21N3O3S

>  <MolWeight> (918)
359.44264

>  <COMPOUND_NAME> (918)
WAY-389920

>  <BAR_CODE_NO> (918)
2542524

$$$$
WAY-390036
csChFnd80/06171916322D

 18 19  0  0  0  0  0  0  0  0999 V2000
    8.1542   -4.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1750   -3.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1875   -5.2750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8375   -4.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2250   -5.5792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2667   -3.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2292   -2.4875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.6000   -5.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9167   -4.6375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.2417   -3.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1917   -2.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5792   -3.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0917   -4.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4917   -5.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2000   -6.4167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.3667   -6.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8375   -7.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8 14  1  0  0  0  0
  9  4  1  0  0  0  0
 10  6  2  0  0  0  0
 11  7  1  0  0  0  0
 12 10  1  0  0  0  0
 13  8  2  0  0  0  0
 14  9  1  0  0  0  0
 15  8  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
  5  4  2  0  0  0  0
 11 12  2  0  0  0  0
M  END
>  <Mol_ID> (919)
919

>  <Formula> (919)
C11H13N3O2S2

>  <MolWeight> (919)
283.36982

>  <COMPOUND_NAME> (919)
WAY-390036

>  <BAR_CODE_NO> (919)
2542627

$$$$
CL-282694
csChFnd80/06171916322D

 22 26  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.3028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1609    1.6411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3915   -1.0512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1609    1.6411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1609    0.2987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3028    2.3028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3101   -2.0343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7868   -1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1609    0.2987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3028    2.3028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3028   -0.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4674    1.6411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3255    3.7094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6315   -3.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0969   -2.9154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3028   -0.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4674    1.6411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4674    0.2987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3255   -1.8339    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0116   -3.9363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4674    0.2987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8 16  2  0  0  0  0
  9 17  1  0  0  0  0
 10 18  2  0  0  0  0
 12 19  1  0  0  0  0
 12 20  1  0  0  0  0
 15 21  2  0  0  0  0
 17 22  2  0  0  0  0
  7 11  1  0  0  0  0
  9 11  1  0  0  0  0
 13 19  2  0  0  0  0
 16 21  1  0  0  0  0
 18 22  1  0  0  0  0
M  END
>  <Mol_ID> (920)
920

>  <Formula> (920)
C20H14O2

>  <MolWeight> (920)
286.32396

>  <COMPOUND_NAME> (920)
CL-282694

>  <BAR_CODE_NO> (920)
3904573

$$$$
CL-292483
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.9067   -0.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9067    0.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4446   -0.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3757   -0.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4446    0.5966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3757    0.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0243   -0.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4446   -1.0241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8343   -0.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0243    0.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8343    0.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4933   -0.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4933    0.5966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9554   -0.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4243   -0.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9554    0.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8864   -0.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4243    0.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8864    0.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
 10 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (921)
921

>  <Formula> (921)
C16H13NO2

>  <MolWeight> (921)
251.27992

>  <COMPOUND_NAME> (921)
CL-292483

>  <BAR_CODE_NO> (921)
3904249

$$$$
CL-402353
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.6077   -0.2063    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.7502   -1.0053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6077    1.3166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9468   -1.0053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7502   -2.5695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0893   -0.2513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5927    2.1869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8455    2.2281    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9468   -2.5695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2822   -0.2363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6077   -3.3535    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0893   -3.3235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4060   -1.0240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0893    1.2866    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1313    3.6348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3241    3.6348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2822   -3.3535    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6176    0.5327    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4060   -2.5545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7264   -3.3235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  2  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 17  1  0  0  0  0
 10 18  3  0  0  0  0
 12 19  2  0  0  0  0
 19 20  1  0  0  0  0
  9 11  1  0  0  0  0
 13 19  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <Mol_ID> (922)
922

>  <Formula> (922)
C14H10N2O3S

>  <MolWeight> (922)
286.3058

>  <COMPOUND_NAME> (922)
CL-402353

>  <BAR_CODE_NO> (922)
3904596

$$$$
CL-406921
csChFnd80/06171916322D

 16 18  0  0  0  0  0  0  0  0999 V2000
    0.6100   -0.3771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7210   -1.1535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9374   -1.1535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9317    1.1240    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7210   -2.6805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0705   -0.3771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9374   -2.6805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0872   -0.1072    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4661    1.2977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1035    2.2627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6100   -3.4421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0705   -3.4421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3719   -1.1535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2647   -3.4421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3808    3.7231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3719   -2.6805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  2  0  0  0  0
  7 14  2  0  0  0  0
 10 15  1  0  0  0  0
 12 16  2  0  0  0  0
  7 11  1  0  0  0  0
  8  9  2  0  0  0  0
 13 16  1  0  0  0  0
M  END
>  <Mol_ID> (923)
923

>  <Formula> (923)
C12H10N2O2

>  <MolWeight> (923)
214.22

>  <COMPOUND_NAME> (923)
CL-406921

>  <BAR_CODE_NO> (923)
3905946

$$$$
CL-409386
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
    0.0518    2.0639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1639    0.9754    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.4136    1.5974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3864    3.5482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6576    1.4702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8058   -0.5042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7388    0.1037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5351    2.6341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7209    4.6131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7838    0.4147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9403    2.9733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9178   -1.5361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1854   -0.3723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2382    4.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3974   -1.1121    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2634    0.8859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4199    3.4115    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8283    4.0383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5644   -3.0770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4964   -1.8566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7545    4.9100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9430   -2.3702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3749   -2.8932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2634   -3.8733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6670   -4.4105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0948   -4.9100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  2  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
 11 17  1  0  0  0  0
 11 18  2  0  0  0  0
 12 19  2  0  0  0  0
 13 20  1  0  0  0  0
 17 21  1  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  2  0  0  0  0
  9 14  1  0  0  0  0
 12 15  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (924)
924

>  <Formula> (924)
C20H20N2O4

>  <MolWeight> (924)
352.3838

>  <COMPOUND_NAME> (924)
CL-409386

>  <BAR_CODE_NO> (924)
3904538

$$$$
CL-409767
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.6998   -0.6229    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.6345   -1.3882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0303   -1.4035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7037    0.9267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6383   -2.9340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9611   -0.6152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0303   -2.9455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3685   -0.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6229    1.6919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0419    1.6919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6922   -3.7030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9611   -3.7030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2954   -1.3882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3646   -3.7261    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7066    0.1307    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6229    3.2300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0419    3.2262    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2877   -2.9301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7152    4.0068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6182   -3.7030    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  2  0  0  0  0
  7 14  1  0  0  0  0
  8 15  3  0  0  0  0
  9 16  2  0  0  0  0
 10 17  1  0  0  0  0
 12 18  2  0  0  0  0
 16 19  1  0  0  0  0
 18 20  1  0  0  0  0
  7 11  1  0  0  0  0
 13 18  1  0  0  0  0
 17 19  2  0  0  0  0
M  END
>  <Mol_ID> (925)
925

>  <Formula> (925)
C15H12N4O

>  <MolWeight> (925)
264.28198

>  <COMPOUND_NAME> (925)
CL-409767

>  <BAR_CODE_NO> (925)
3904484

$$$$
CL-416818
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -1.6276   -1.0114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6690   -0.4597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5897   -0.4597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5897   -1.5976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7311   -1.5390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6690    0.6437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3034   -1.0114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5897    0.6437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5897   -2.6425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7311   -2.6425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6276    1.1851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3034    1.1851    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2655   -0.4597    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3034   -2.0942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5414    1.1851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6690   -3.1838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6276    2.2886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2655    0.6437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5276    2.2886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5621    2.8368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2172    1.1713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1206    0.5886    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1000   -0.4942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0482    1.1231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1620   -0.9907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0482    2.2058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1344   -2.0735    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0689    2.6713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  2  0  0  0  0
  8 15  1  0  0  0  0
  9 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  2  0  0  0  0
 15 19  2  0  0  0  0
 17 20  2  0  0  0  0
 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
  8 11  2  0  0  0  0
 10 16  1  0  0  0  0
 13 18  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (926)
926

>  <Formula> (926)
C22H29N3O3

>  <MolWeight> (926)
383.48396

>  <COMPOUND_NAME> (926)
CL-416818

>  <BAR_CODE_NO> (926)
3905373

$$$$
CL-419631
csChFnd80/06171916322D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -1.1068   -0.3217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1068    0.9369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0172   -0.9493    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1965   -0.9493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0172    1.5645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1965    1.5645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0725   -0.3217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2862   -0.3217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0725    0.9369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0172    2.8231    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2862    0.9369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1621   -0.9493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3724    1.5645    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2966   -2.1941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3104   -0.4424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5345   -2.4700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1552   -1.4079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
  7  9  2  0  0  0  0
  8 11  2  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (927)
927

>  <Formula> (927)
C13H7ClO3

>  <MolWeight> (927)
246.64588

>  <COMPOUND_NAME> (927)
CL-419631

>  <BAR_CODE_NO> (927)
3905345

$$$$
CL-422954
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -1.5903   -0.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5903    0.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9558   -0.8759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2282   -0.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9558    0.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2282    0.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3075   -0.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8661   -0.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3075    0.2621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9558    1.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8661    0.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3546   -0.8759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0339   -0.5207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0339    0.2621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6718   -0.8759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6718    0.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3097   -0.5207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3097    0.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3028    1.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2097    1.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9546   -0.9103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (928)
928

>  <Formula> (928)
C16H19N5

>  <MolWeight> (928)
281.35556

>  <COMPOUND_NAME> (928)
CL-422954

>  <BAR_CODE_NO> (928)
3905273

$$$$
CL-423140
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
    1.1101   -0.9520    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0265    0.5456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4489   -1.6285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2884   -1.4943    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2817    1.3669    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4237    0.9289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7041   -0.8072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5325   -3.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2364   -0.3318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6205    0.6904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0008   -3.4330    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.0333   -3.0789    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3548   -4.6156    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7340   -0.4154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8758    1.5117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5553    0.8398    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4105   -1.7543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9492    3.0099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2780    0.9789    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0529    0.7562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8788    2.1786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3967    3.4030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2180    2.1478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7294   -0.5826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8742    2.0114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2271   -0.6662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3719    1.9278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0483    0.5890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 16 21  1  0  0  0  0
 18 22  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  1  0  0  0  0
 20 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
 22 23  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (929)
929

>  <Formula> (929)
C19H19F3N4OS

>  <MolWeight> (929)
408.4405696

>  <COMPOUND_NAME> (929)
CL-423140

>  <BAR_CODE_NO> (929)
3905807

$$$$
CL-424707
csChFnd80/06171916322D

 22 23  0  0  0  0  0  0  0  0999 V2000
    0.5290    0.8415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5290    0.0825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1430   -0.2985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1430    1.2255    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1860    1.2045    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7760    0.0825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7760    0.8565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1430   -0.9765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1860   -0.2925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8400   -0.6495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8310    0.8205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5050   -1.3605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7880   -1.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5050   -2.1285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1430   -2.5005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4730    1.2105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3910   -0.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4060    1.2195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8310    0.0525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0330    0.8895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0150    0.0975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6570    1.2315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  7  1  0  0  0  0
  4  7  2  0  0  0  0
  8  3  1  0  0  0  0
  9  2  1  0  0  0  0
 10  9  3  0  0  0  0
 11  5  1  0  0  0  0
 12  8  1  0  0  0  0
  8 13  2  0  0  0  0
 14 12  1  0  0  0  0
 15 13  1  0  0  0  0
 16 11  2  0  0  0  0
 17  6  1  0  0  0  0
 18  7  1  0  0  0  0
 19 11  1  0  0  0  0
 20 18  1  0  0  0  0
 21 17  1  0  0  0  0
 22 20  1  0  0  0  0
  6  3  2  0  0  0  0
 15 14  2  0  0  0  0
M  END
>  <Mol_ID> (930)
930

>  <Formula> (930)
C17H19N3O2

>  <MolWeight> (930)
297.35166

>  <COMPOUND_NAME> (930)
CL-424707

>  <BAR_CODE_NO> (930)
3905958

$$$$
CL-426958
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.0104   -0.3903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0448    0.2442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2758   -1.5800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1138    0.2131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0448    1.4855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9827   -0.5765    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4965   -1.6972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4104   -2.6524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1138    1.4511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1862   -0.4076    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0449    2.0717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1345    2.1545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0689   -2.7869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1586   -3.7593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2207    2.0717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2586    0.2131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2035   -1.6627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0276    3.3614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1896    2.7752    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4138   -3.8248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2207    3.2959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  2  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 10 17  1  0  0  0  0
 11 18  1  0  0  0  0
 12 19  3  0  0  0  0
 13 20  2  0  0  0  0
 15 21  1  0  0  0  0
  6  7  1  0  0  0  0
  9 11  1  0  0  0  0
 14 20  1  0  0  0  0
M  END
>  <Mol_ID> (931)
931

>  <Formula> (931)
C17H18N4

>  <MolWeight> (931)
278.35162

>  <COMPOUND_NAME> (931)
CL-426958

>  <BAR_CODE_NO> (931)
3904694

$$$$
CL-431817
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -0.6698   -0.2548    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.1985   -0.2712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8137    0.1315    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.2014   -1.7218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7808    1.2739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6711   -1.7383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2464    0.8712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2328    1.6109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8780   -0.9657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3931   -2.6218    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2821   -2.2355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1628   -2.0711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7258    0.5342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7204    2.0054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1520    2.7245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3409   -0.5917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1778   -0.9493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7765    0.9082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4587    2.3136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1778    0.2260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  8 15  2  0  0  0  0
  9 16  1  0  0  0  0
 12 17  2  0  0  0  0
 14 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
  6 10  1  0  0  0  0
 13 17  1  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (932)
932

>  <Formula> (932)
C15H17NO4

>  <MolWeight> (932)
275.29978

>  <COMPOUND_NAME> (932)
CL-431817

>  <BAR_CODE_NO> (932)
3904612

$$$$
CL-75900
csChFnd80/06171916322D

 17 19  0  0  0  0  0  0  0  0999 V2000
    0.6149    1.5404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2740    2.7825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1339    0.0731    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1554    1.5404    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8144    2.6181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3349    4.1889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3821   -0.8159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6303    0.0731    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7094    3.8662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5541    5.4371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3821   -2.3563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0945    5.2788    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0426   -3.1234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7094   -3.1234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0426   -4.6639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7094   -4.6639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3821   -5.4371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
  7  8  1  0  0  0  0
 10 12  2  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (933)
933

>  <Formula> (933)
C13H9N3O

>  <MolWeight> (933)
223.23006

>  <COMPOUND_NAME> (933)
CL-75900

>  <BAR_CODE_NO> (933)
3905853

$$$$
CL-84885
csChFnd80/06171916322D

 21 22  0  0  0  0  0  0  0  0999 V2000
    1.9582    0.1299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1375   -0.1977    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0857    1.0126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5202   -0.3012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3237   -0.5184    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8064    0.6230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4651   -1.0115    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9099    1.3230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4202   -0.0701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3936   -0.0150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6168    0.7885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2074   -0.3701    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3074    0.8471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4133    1.1161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8970    0.1299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6867   -0.2253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7729   -1.0874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3763    0.2781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5660   -1.4426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1729   -0.0770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2763   -0.9322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
  9 11  2  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (934)
934

>  <Formula> (934)
C15H16N2O3S

>  <MolWeight> (934)
304.36414

>  <COMPOUND_NAME> (934)
CL-84885

>  <BAR_CODE_NO> (934)
3904244

$$$$
CL-900825
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.5963    0.2864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0756    0.2864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3169   -0.1032    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3169    0.6657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3066   -0.1239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3066    0.6968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1348    0.0450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1348    0.5174    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7859   -0.1239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7859    0.6968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5141   -0.2343    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0238    0.2864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9451   -0.0446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4963    0.2864    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.3348   -0.3136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9934    0.4347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2831   -0.7929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7658   -0.1239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6658   -1.0653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1451   -0.4032    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0934   -0.8722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  9 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
  7  8  1  0  0  0  0
 10 12  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (935)
935

>  <Formula> (935)
C15H10BrN3OS

>  <MolWeight> (935)
360.2284

>  <COMPOUND_NAME> (935)
CL-900825

>  <BAR_CODE_NO> (935)
3904724

$$$$
GI-503998
csChFnd80/06171916322D

 16 18  0  0  0  0  0  0  0  0999 V2000
    0.5995   -0.1781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5995    0.7594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2213   -0.6448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2213    1.2219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0338    0.7594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0338   -0.1781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4120   -0.6406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2287   -0.2448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2213    2.1552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5412   -1.5781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8995   -0.8698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4620   -1.7281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8463    1.2302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8463   -0.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6588    0.7594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6588   -0.1781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  6  2  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9  4  2  0  0  0  0
 10  7  2  0  0  0  0
 11  8  1  0  0  0  0
 12 10  1  0  0  0  0
 13  5  1  0  0  0  0
 14  6  1  0  0  0  0
 15 16  1  0  0  0  0
 16 14  2  0  0  0  0
 12 11  2  0  0  0  0
  4  5  1  0  0  0  0
 15 13  2  0  0  0  0
M  END
>  <Mol_ID> (936)
936

>  <Formula> (936)
C13H8O3

>  <MolWeight> (936)
212.20082

>  <COMPOUND_NAME> (936)
GI-503998

>  <BAR_CODE_NO> (936)
3905140

$$$$
SD-33401
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.4610    0.3082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6886    0.3082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1424    1.3599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1424   -0.7366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3059    1.3599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3059   -0.7366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4610    2.4220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3596    1.3599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3596   -0.7366    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4610   -1.8297    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5231    1.3599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5231   -0.7366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1424    3.4737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9769    2.4220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9769   -1.7987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1335    0.3082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3596    3.4737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.8815    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1734   -1.8849    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3493   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4183   -3.1022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 11 16  2  0  0  0  0
 13 17  1  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 12 16  1  0  0  0  0
 14 17  2  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (937)
937

>  <Formula> (937)
C17H14N2OS

>  <MolWeight> (937)
294.37086

>  <COMPOUND_NAME> (937)
SD-33401

>  <BAR_CODE_NO> (937)
2543116

$$$$
SD-36120
csChFnd80/06171916322D

 18 19  0  0  0  0  0  0  0  0999 V2000
    2.2619   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2688   -0.5284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0377   -0.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4757    0.8095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4929    0.1613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0515   -1.5525    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0308   -0.5767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4688    1.1302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4933   -0.1594    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.2412    0.4337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2692    0.5302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2588    0.2061    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0519    1.5509    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0381    0.9026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4761   -0.8077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0312    0.5785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4692   -1.1318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2416   -0.4353    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
  8 10  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (938)
938

>  <Formula> (938)
C13H15NO2S2

>  <MolWeight> (938)
281.3937

>  <COMPOUND_NAME> (938)
SD-36120

>  <BAR_CODE_NO> (938)
3905971

$$$$
WAY-112563
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
    1.5039    0.8072    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5212    0.8072    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0108    1.6865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9901   -0.0653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5212   -0.2032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5212    1.8244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5315    0.8072    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0133    1.6865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0133   -0.0653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6419   -0.7101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3936   -0.7239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5237    0.8210    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5375    2.5796    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5237   -0.9584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6419   -1.7273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3936   -1.7273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5409    0.8382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5074   -2.2377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0547   -0.0273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4936   -3.2480    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.0581   -0.0273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5685   -0.9135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5685    0.8520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5926   -0.9135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5926    0.8520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0857   -0.0135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  8 12  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  2  0  0  0  0
 10 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  2  0  0  0  0
  9 12  1  0  0  0  0
 16 18  2  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (939)
939

>  <Formula> (939)
C18H17ClN2O4S

>  <MolWeight> (939)
392.85658

>  <COMPOUND_NAME> (939)
WAY-112563

>  <BAR_CODE_NO> (939)
3904235

$$$$
WAY-113583
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    4.2104    4.8689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8326    1.2029    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.8000    4.8689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8999    6.0718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8534    3.6451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1482    2.4630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0948    6.0718    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0534    3.6711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0911    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.2999    6.0821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2067    1.1977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2155    7.3111    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7533    2.4630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7311    8.5088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9688    4.8740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0310    7.2540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0999    6.0096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    7.2540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    4.8740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4999    6.0096    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.6844    6.0718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8155    7.2644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1311    8.5088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.3111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  6  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  2  0  0  0  0
  7  3  1  0  0  0  0
  8  3  1  0  0  0  0
  9  2  1  0  0  0  0
 10  4  1  0  0  0  0
 11  2  2  0  0  0  0
 12  4  2  0  0  0  0
 13  6  1  0  0  0  0
 14 23  1  0  0  0  0
 15 10  2  0  0  0  0
 16 10  1  0  0  0  0
 17 18  1  0  0  0  0
 18 16  2  0  0  0  0
 19 15  1  0  0  0  0
 20 17  1  0  0  0  0
 21  7  1  0  0  0  0
 22  7  1  0  0  0  0
 23 22  1  0  0  0  0
 24 21  1  0  0  0  0
  8 13  2  0  0  0  0
 17 19  2  0  0  0  0
 24 14  1  0  0  0  0
M  END
>  <Mol_ID> (940)
940

>  <Formula> (940)
C17H15ClN2O4

>  <MolWeight> (940)
346.765

>  <COMPOUND_NAME> (940)
WAY-113583

>  <BAR_CODE_NO> (940)
3904477

$$$$
WAY-113805
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
    9.8305    2.1464    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4072    2.4653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8305    0.7855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6841    1.2133    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.0125    2.8618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6173    0.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2257    6.3694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0125    4.2230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1869    4.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8163    3.7019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2608    1.2133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0671    0.0853    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8260    6.9294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5997    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5997    2.4653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1076    1.2133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5076    1.2133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2603    7.0227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1997    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1997    2.4653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2338    2.2088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4470    4.3319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4470    2.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3612    2.4653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1076    3.5852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  9  1  0  0  0  0
  8  5  1  0  0  0  0
  9  8  2  0  0  0  0
 10  2  2  0  0  0  0
 11  4  1  0  0  0  0
 12  3  2  0  0  0  0
 13  7  2  0  0  0  0
 14 11  2  0  0  0  0
 15 11  1  0  0  0  0
 16 17  1  0  0  0  0
 17 20  1  0  0  0  0
 18  7  1  0  0  0  0
 19 14  1  0  0  0  0
 20 15  2  0  0  0  0
 21  5  2  0  0  0  0
 22 23  2  0  0  0  0
 23 21  1  0  0  0  0
 24 16  1  0  0  0  0
 25 24  1  0  0  0  0
 26 24  1  0  0  0  0
  4  6  1  0  0  0  0
  9 22  1  0  0  0  0
 19 17  2  0  0  0  0
M  END
>  <Mol_ID> (941)
941

>  <Formula> (941)
C20H19NO5

>  <MolWeight> (941)
353.36856

>  <COMPOUND_NAME> (941)
WAY-113805

>  <BAR_CODE_NO> (941)
3905785

$$$$
WAY-115046
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -1.3688   -1.0376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7446   -0.3859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6343   -0.8790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7446   -1.6859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2446    0.1727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4929   -0.3859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5550   -0.1376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4929   -1.6790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3929    0.9106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8688   -1.0273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0933    0.2382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7450   -0.1376    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0933    0.9900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3933    0.2382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3933    0.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0450   -0.1376    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0450    1.3624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6933    0.2382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6933    0.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3450    1.3624    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 19 20  1  0  0  0  0
  5  7  2  0  0  0  0
  8 10  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (942)
942

>  <Formula> (942)
C15H11ClN2O2

>  <MolWeight> (942)
286.71304

>  <COMPOUND_NAME> (942)
WAY-115046

>  <BAR_CODE_NO> (942)
3905456

$$$$
WAY-115092
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
    2.8228    7.7623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4244    6.4009    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5865    5.6203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1842    7.7623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7073    6.5005    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8763    8.7337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5865    4.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5865    1.3863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3746    2.1169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8069    2.1169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8069    3.5116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3746    3.5116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4567    8.6839    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.9066    8.9662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2252   10.0537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.9874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0212   10.8010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5865    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0109    1.4610    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542    1.4610    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1842   10.1866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3097    8.9329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0607    0.0996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0319   10.1533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8403   11.3986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3097   11.3573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  2  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  9  2  0  0  0  0
  9 12  1  0  0  0  0
 10 11  2  0  0  0  0
 11  7  1  0  0  0  0
 12  7  2  0  0  0  0
 13  6  1  0  0  0  0
 14  4  1  0  0  0  0
 15  6  2  0  0  0  0
 16 13  1  0  0  0  0
 17 15  1  0  0  0  0
 18  8  1  0  0  0  0
 19 10  1  0  0  0  0
 20  9  1  0  0  0  0
 21 14  1  0  0  0  0
 22 14  2  0  0  0  0
 23 20  1  0  0  0  0
 24 19  1  0  0  0  0
 25 22  1  0  0  0  0
 26 21  2  0  0  0  0
 27 25  2  0  0  0  0
  5  3  1  0  0  0  0
 17 16  2  0  0  0  0
 26 27  1  0  0  0  0
 10  8  1  0  0  0  0
M  END
>  <Mol_ID> (943)
943

>  <Formula> (943)
C21H18N2O3S

>  <MolWeight> (943)
378.44422

>  <COMPOUND_NAME> (943)
WAY-115092

>  <BAR_CODE_NO> (943)
3904138

$$$$
WAY-115180
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
    6.3765    2.1254    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.9500    0.7147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1538    2.8277    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.9689    2.1442    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1538    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0974    4.5582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8936    3.6114    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.3765    0.7147    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.3765    3.5549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5958    4.1068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6303    1.6740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8903    0.1504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2227    1.6740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6712    2.5580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4485    0.1504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5172    3.2729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4076    5.4798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0909    6.0066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2069    3.7807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.1349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7  6  1  0  0  0  0
  8  1  1  0  0  0  0
  9  1  1  0  0  0  0
 10  7  1  0  0  0  0
 11  1  1  0  0  0  0
 12  2  1  0  0  0  0
 13  3  1  0  0  0  0
 14 11  1  0  0  0  0
 15  8  1  0  0  0  0
 16 10  2  0  0  0  0
 17 10  1  0  0  0  0
 18 17  2  0  0  0  0
 19 16  1  0  0  0  0
 20 18  1  0  0  0  0
  4  2  1  0  0  0  0
  4  7  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (944)
944

>  <Formula> (944)
C18H24O2

>  <MolWeight> (944)
272.38196

>  <COMPOUND_NAME> (944)
WAY-115180

>  <BAR_CODE_NO> (944)
3905361

$$$$
WAY-118406
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.5760    0.0241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2725   -0.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1723   -0.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6104    0.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1967   -1.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7760   -0.1690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8484   -0.9241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8723    0.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1033    1.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3760   -1.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0104   -1.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8275    0.8793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3760   -2.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9967   -2.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5516    1.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1760   -3.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5413    1.9793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4516    0.7793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1967   -3.8759    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.0240    2.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2723    2.2793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4240    3.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1723    3.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  2  0  0  0  0
 17 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
  9 12  1  0  0  0  0
 14 16  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (945)
945

>  <Formula> (945)
C15H15ClN2O4S

>  <MolWeight> (945)
354.8086

>  <COMPOUND_NAME> (945)
WAY-118406

>  <BAR_CODE_NO> (945)
3904171

$$$$
WAY-118985
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -1.1683   -0.4354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8372    0.4784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0372   -0.4354    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5234   -1.5147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4890    1.5508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9683    0.4784    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3110   -1.5147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6062   -2.1699    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4027    2.2232    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4096    1.9025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3200    1.5508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3869   -1.8630    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3924    1.9059    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2317   -1.1113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3110   -1.4665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9973   -0.0044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1524   -0.7147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8421    0.7473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9214    0.3921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
  7  8  1  0  0  0  0
  9 11  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (946)
946

>  <Formula> (946)
C13H12N4S2

>  <MolWeight> (946)
288.39118

>  <COMPOUND_NAME> (946)
WAY-118985

>  <BAR_CODE_NO> (946)
3904377

$$$$
WAY-119884
csChFnd80/06171916322D

 18 19  0  0  0  0  0  0  0  0999 V2000
    4.6275   -8.9145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5680   -5.5120    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0965   -8.0640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5935  -10.6750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5935  -12.3510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0990   -8.0640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0965   -6.3370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3495   -3.8790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0565  -13.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0565  -14.8600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5680   -3.9130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9545   -6.3285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1645  -14.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1985  -13.2015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3495   -5.5120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9545   -3.0965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6020  -15.6770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2815  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  1  2  0  0  0  0
  7  3  1  0  0  0  0
  8 15  1  0  0  0  0
  9  5  1  0  0  0  0
 10  9  2  0  0  0  0
 11  2  1  0  0  0  0
 12  2  1  0  0  0  0
 13 14  1  0  0  0  0
 14  5  2  0  0  0  0
 15 12  1  0  0  0  0
 16 11  1  0  0  0  0
 17 13  2  0  0  0  0
 18 10  1  0  0  0  0
 17 10  1  0  0  0  0
  8 16  1  0  0  0  0
M  END
>  <Mol_ID> (947)
947

>  <Formula> (947)
C14H20N2O2

>  <MolWeight> (947)
248.3208

>  <COMPOUND_NAME> (947)
WAY-119884

>  <BAR_CODE_NO> (947)
3905452

$$$$
WAY-215361
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
    4.1923    6.1429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6987    7.3560    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.8911    7.3560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9300    4.8911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2884    7.3560    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7948    6.1429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0961    7.3560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0932    7.3560    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1923    8.5788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.5788    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.2312    3.6876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.1429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3758    4.8523    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7948    8.5788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9873    8.5788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9873    6.1429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9300    2.4649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8339    3.6876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3846    8.5788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3944    6.1429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8339    1.2520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2312    1.2520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1350    2.4649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0961    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.4905    7.3560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1796    6.1722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  2  0  0  0  0
  8 20  1  0  0  0  0
  9  3  1  0  0  0  0
 10  2  1  0  0  0  0
 11  4  1  0  0  0  0
 12  2  2  0  0  0  0
 13  4  2  0  0  0  0
 14  7  1  0  0  0  0
 15  5  1  0  0  0  0
 16  5  1  0  0  0  0
 17 11  1  0  0  0  0
 18 11  2  0  0  0  0
 19 15  1  0  0  0  0
 20 16  1  0  0  0  0
 21 23  2  0  0  0  0
 22 17  2  0  0  0  0
 23 18  1  0  0  0  0
 24 21  1  0  0  0  0
 25  8  1  0  0  0  0
 26 25  1  0  0  0  0
 14  9  2  0  0  0  0
 21 22  1  0  0  0  0
 19  8  1  0  0  0  0
M  END
>  <Mol_ID> (948)
948

>  <Formula> (948)
C19H20ClN3O3

>  <MolWeight> (948)
373.8334

>  <COMPOUND_NAME> (948)
WAY-215361

>  <BAR_CODE_NO> (948)
3905628

$$$$
WAY-216469
csChFnd80/06171916322D

 33 36  0  0  0  0  0  0  0  0999 V2000
   10.7420   -3.7100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6260   -2.3440    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3040   -2.3440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1480   -4.2720    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.4795   -1.4895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1880   -3.7100    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.9025   -4.8855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0570   -4.8855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5865   -4.4110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7165   -4.2720    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.0210   -1.8915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1260   -2.8115    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9945   -5.7035    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4420   -4.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4795   -0.0295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4665   -4.7320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4795   -6.2220    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7355   -6.3095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9385   -1.8915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0725   -6.0465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000    1.3510    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.9990   -7.0105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3130   -0.4675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4265   -3.2495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1855   -5.7470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8870   -3.4175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6240   -5.8785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6935   -0.0295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9935   -3.0085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9570   -5.5205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9265    2.3150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2395    0.4600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5465    1.8765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  6  1  0  0  0  0
  3  1  2  0  0  0  0
  4  9  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  1  1  0  0  0  0
  8  6  1  0  0  0  0
  9 25  1  0  0  0  0
 10  4  1  0  0  0  0
 11  2  1  0  0  0  0
 12  4  2  0  0  0  0
 13  4  2  0  0  0  0
 14  7  1  0  0  0  0
 15  5  2  0  0  0  0
 16  8  1  0  0  0  0
 17  7  2  0  0  0  0
 18  8  2  0  0  0  0
 19  3  1  0  0  0  0
 20 16  1  0  0  0  0
 21 28  1  0  0  0  0
 22 18  1  0  0  0  0
 23 11  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  2  0  0  0  0
 26 14  2  0  0  0  0
 27 14  1  0  0  0  0
 28 23  2  0  0  0  0
 29 10  1  0  0  0  0
 30 10  1  0  0  0  0
 31 33  1  0  0  0  0
 32 23  1  0  0  0  0
 33 32  2  0  0  0  0
  2  5  1  0  0  0  0
 24  9  2  0  0  0  0
 22 20  2  0  0  0  0
 21 31  2  0  0  0  0
M  END
>  <Mol_ID> (949)
949

>  <Formula> (949)
C23H21N3O6S

>  <MolWeight> (949)
467.49434

>  <COMPOUND_NAME> (949)
WAY-216469

>  <BAR_CODE_NO> (949)
3905001

$$$$
WAY-217220
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
    1.1133   -1.3813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3305   -0.9847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0754   -0.6295    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7133   -2.5985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5961    0.2636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2823   -1.8502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9626   -1.3813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5660   -2.5985    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.8167    0.6670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4995   -1.4468    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1729   -0.9847    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7616   -0.1985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4350    0.2636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4971    1.1153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6626    0.6670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7557    2.3739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9281    1.9118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9695    2.7670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2384    4.0256    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 18 19  1  0  0  0  0
  7  8  1  0  0  0  0
 10 12  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (950)
950

>  <Formula> (950)
C14H10BrN3S

>  <MolWeight> (950)
332.2183

>  <COMPOUND_NAME> (950)
WAY-217220

>  <BAR_CODE_NO> (950)
3904980

$$$$
WAY-217397
csChFnd80/06171916322D

 15 16  0  0  0  0  0  0  0  0999 V2000
    3.6780   -2.4359    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.1183   -2.6945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1770   -3.3003    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7817   -3.4330    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0901   -2.8965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5794   -2.8419    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0532   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0532   -0.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5167   -1.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5890   -1.7656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5167   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9843   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5868   -2.3831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9843   -0.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5575   -0.5917    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  1  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  5  6  1  0  0  0  0
 13  2  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  2  0  0  0  0
 14 15  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <Mol_ID> (951)
951

>  <Formula> (951)
C9H8ClN3OS

>  <MolWeight> (951)
241.69732

>  <COMPOUND_NAME> (951)
WAY-217397

>  <BAR_CODE_NO> (951)
3904610

$$$$
WAY-218040
csChFnd80/06171916322D

 29 33  0  0  0  0  0  0  0  0999 V2000
   -1.4320  -10.5680    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3325  -12.0555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3785   -9.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3675  -11.4550    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.3395   -9.6445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8820  -12.5265    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8290  -14.6325    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1200  -15.2515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8870  -13.7830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2610  -10.6145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9605   -7.3535    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3050  -13.4135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7830  -16.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0880  -13.0345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0025  -14.6325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4575  -15.9725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6700  -14.3095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5450  -11.7505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9885  -14.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3165  -15.6675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7900  -12.3420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1845  -15.3810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9955  -12.7850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1550  -13.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2030   -9.0160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1475  -12.1940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9770  -12.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0140   -9.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9190  -10.6515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  7 23  1  0  0  0  0
  8 16  1  0  0  0  0
  9  2  2  0  0  0  0
 10  1  1  0  0  0  0
 11  3  2  0  0  0  0
 12 21  1  0  0  0  0
 13  8  1  0  0  0  0
 14 12  1  0  0  0  0
 15 13  1  0  0  0  0
 16 19  2  0  0  0  0
 17  6  1  0  0  0  0
 18  6  1  0  0  0  0
 19 20  1  0  0  0  0
 20  7  1  0  0  0  0
 21 24  2  0  0  0  0
 22 17  1  0  0  0  0
 23 18  1  0  0  0  0
 24 19  1  0  0  0  0
 25 10  2  0  0  0  0
 26 10  1  0  0  0  0
 27 26  2  0  0  0  0
 28 25  1  0  0  0  0
 29 27  1  0  0  0  0
  5  4  1  0  0  0  0
 29 28  2  0  0  0  0
  7 22  1  0  0  0  0
  8 12  2  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (952)
952

>  <Formula> (952)
C22H23N3O4

>  <MolWeight> (952)
393.43572

>  <COMPOUND_NAME> (952)
WAY-218040

>  <BAR_CODE_NO> (952)
3905925

$$$$
WAY-218546
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
    6.0644    4.1844    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2516    4.8982    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8344    4.9193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4603    4.1844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6470    4.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4385    4.9193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6830    0.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6830    2.0993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4603    2.7989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3433    2.9897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7429    2.9897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4385    6.2976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6830    4.8982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2227    4.2055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2298    6.9833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8988    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8697    6.2976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8988    2.7989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6470    7.0044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8915    4.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4603    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6830    6.2765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2516    0.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  4  2  0  0  0  0
 10  1  2  0  0  0  0
 11  1  2  0  0  0  0
 12 19  2  0  0  0  0
 13  4  1  0  0  0  0
 14  6  1  0  0  0  0
 15 12  1  0  0  0  0
 16  7  2  0  0  0  0
 17  3  2  0  0  0  0
 18 20  1  0  0  0  0
 19 17  1  0  0  0  0
 20 13  2  0  0  0  0
 21  7  1  0  0  0  0
 22 14  1  0  0  0  0
 23 15  1  0  0  0  0
 24 13  1  0  0  0  0
 25 21  1  0  0  0  0
  6 12  1  0  0  0  0
  8 18  2  0  0  0  0
 23 22  1  0  0  0  0
M  END
>  <Mol_ID> (953)
953

>  <Formula> (953)
C17H17NO6S

>  <MolWeight> (953)
363.38498

>  <COMPOUND_NAME> (953)
WAY-218546

>  <BAR_CODE_NO> (953)
3905391

$$$$
WAY-222900
csChFnd80/06171916322D

 29 31  0  0  0  0  0  0  0  0999 V2000
    4.7306    8.4705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9443    9.2134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4459    2.8235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7306    7.0711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3529    4.2165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9814    6.3652    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9814    4.9348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5417    4.9348    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5417    9.1887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2632    2.0370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9195   10.6067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1703    8.5263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0775    4.8049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5417    6.3899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2012    4.2476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7555    4.2476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3220    8.4705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6562    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3220    7.0711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1084    9.1887    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7152    2.2104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3562    0.6252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2012    7.1330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3591    9.2443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7895    0.7925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5789    8.5571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4149    6.4457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6193    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6036    7.1639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  5  1  0  0  0  0
  4  1  2  0  0  0  0
  5  8  1  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8 16  1  0  0  0  0
  9  1  1  0  0  0  0
 10  3  2  0  0  0  0
 11  2  2  0  0  0  0
 12  2  1  0  0  0  0
 13  5  2  0  0  0  0
 14  4  1  0  0  0  0
 15  7  2  0  0  0  0
 16  7  1  0  0  0  0
 17  9  2  0  0  0  0
 18 10  1  0  0  0  0
 19 17  1  0  0  0  0
 20 17  1  0  0  0  0
 21  3  1  0  0  0  0
 22 10  1  0  0  0  0
 23 12  2  0  0  0  0
 24 12  1  0  0  0  0
 25 21  2  0  0  0  0
 26 24  2  0  0  0  0
 27 23  1  0  0  0  0
 28 25  1  0  0  0  0
 29 26  1  0  0  0  0
 14 19  2  0  0  0  0
 29 27  2  0  0  0  0
 22 28  2  0  0  0  0
M  END
>  <Mol_ID> (954)
954

>  <Formula> (954)
C22H16BrClN2O3

>  <MolWeight> (954)
471.73104

>  <COMPOUND_NAME> (954)
WAY-222900

>  <BAR_CODE_NO> (954)
3905214

$$$$
WAY-223814
csChFnd80/06171916322D

 24 27  0  0  0  0  0  0  0  0999 V2000
    1.1621    0.9894    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0414    1.2066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0655    1.6411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5172   -0.0969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8379    0.5204    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3862    2.2790    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0138    0.9894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0655    2.7790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6517   -0.0969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8172   -1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7828    1.1204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5207    2.2031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1310    1.2066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4172   -0.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8690    0.7066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8793    0.3894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5414   -0.6969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0379   -0.4313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1069   -0.8486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1586   -1.1486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2828   -1.9934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3345   -2.2727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4000   -2.6796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5862   -3.7934    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 13 16  2  0  0  0  0
 14 17  2  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
  7  9  2  0  0  0  0
 11 12  2  0  0  0  0
 16 17  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (955)
955

>  <Formula> (955)
C18H11ClN2O2S

>  <MolWeight> (955)
354.81014

>  <COMPOUND_NAME> (955)
WAY-223814

>  <BAR_CODE_NO> (955)
3904417

$$$$
WAY-223915
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -5.1125    0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8500   -1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0500    2.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9750   -0.4500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.1250    1.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2625   -1.4625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0750    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4085   -3.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7710    3.9585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4625   -0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0625    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0625   -1.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0375    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1750   -1.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0250   -1.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0250    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2625   -3.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0040    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -14.0000   -1.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000   -3.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8750   -0.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0000   -1.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500   -4.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6125   -1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6625   -3.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  2  0  0  0  0
  9  3  2  0  0  0  0
 10  6  1  0  0  0  0
 11  7  2  0  0  0  0
 12  7  1  0  0  0  0
 13 15  1  0  0  0  0
 14 10  1  0  0  0  0
 15 12  2  0  0  0  0
 16 11  1  0  0  0  0
 17  6  1  0  0  0  0
 18 13  1  0  0  0  0
 19 18  1  0  0  0  0
 20 14  2  0  0  0  0
 21 14  1  0  0  0  0
 22 19  1  0  0  0  0
 23 20  1  0  0  0  0
 24 21  2  0  0  0  0
 25 24  1  0  0  0  0
  5  4  1  0  0  0  0
 16 13  2  0  0  0  0
 25 23  2  0  0  0  0
M  END
>  <Mol_ID> (956)
956

>  <Formula> (956)
C20H22N2O3

>  <MolWeight> (956)
338.40028

>  <COMPOUND_NAME> (956)
WAY-223915

>  <BAR_CODE_NO> (956)
3904293

$$$$
WAY-224056-A
csChFnd80/06171916322D

 24 25  0  0  0  0  0  0  0  0999 V2000
    6.0217    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2320    2.0824    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8174    0.6941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8174    2.1121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2320    0.7238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4673    6.8227    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.0217    2.8003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4957    2.7706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5253    4.1885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2333    6.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5893    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.7191    6.1760    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   13.6156    8.2050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7594    4.8530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3210    4.9123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0290    6.8898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1740    4.7937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8187    6.2353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9637    4.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6190    2.8299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4957    0.0297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4146    2.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2143    2.8952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.2307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  1  2  0  0  0  0
  6 10  1  0  0  0  0
  7  2  1  0  0  0  0
  8  2  1  0  0  0  0
  9  8  1  0  0  0  0
 10 17  2  0  0  0  0
 11  3  2  0  0  0  0
 12  6  1  0  0  0  0
 13  6  2  0  0  0  0
 14  9  1  0  0  0  0
 15  9  2  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 14  1  0  0  0  0
 19 14  2  0  0  0  0
 20  4  1  0  0  0  0
 21  5  1  0  0  0  0
 22 20  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
  4  7  2  0  0  0  0
 10 16  1  0  0  0  0
M  END
>  <Mol_ID> (957)
957

>  <Formula> (957)
C16H18N4O4

>  <MolWeight> (957)
330.33852

>  <COMPOUND_NAME> (957)
WAY-224056-A

>  <BAR_CODE_NO> (957)
3904419

$$$$
WAY-224672
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
    1.0655   -1.5099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2793   -1.7686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0655   -0.6824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8483   -1.7686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000   -1.0962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0276   -2.5548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2793   -0.4341    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.8483   -0.4341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3276   -1.0962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0241   -1.0927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7759   -2.7306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5793   -3.1686    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4379   -0.3789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0241    0.3418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2724   -0.3789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4379    1.0521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1966    0.3418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0241    1.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2172    1.0521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1966    1.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4448    2.4866    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0414    1.0521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2241    2.4866    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0345    3.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4552    0.3418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1897    3.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
 23 26  1  0  0  0  0
  5  7  1  0  0  0  0
  8  9  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (958)
958

>  <Formula> (958)
C18H20N2O5S

>  <MolWeight> (958)
376.4268

>  <COMPOUND_NAME> (958)
WAY-224672

>  <BAR_CODE_NO> (958)
3904559

$$$$
WAY-225220
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    8.2241    2.8982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3606    2.1789    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1519    2.1519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0406    2.1789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1519    0.7263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8001    2.5217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7831    2.8581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8001    0.3228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6451    2.9252    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.3488    2.7975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2041    4.2701    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5593    2.1519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3488    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8554    2.2596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5593    0.7196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6451    4.3508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8554    0.8877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9918    2.9252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2023    2.2596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9851    0.0807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2023    0.8070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3 11  1  0  0  0  0
  4  1  1  0  0  0  0
  5 14  1  0  0  0  0
  6  3  1  0  0  0  0
  7  4  2  0  0  0  0
  8  5  1  0  0  0  0
  9  6  1  0  0  0  0
 10  2  1  0  0  0  0
 11 13  2  0  0  0  0
 12  1  2  0  0  0  0
 13  7  1  0  0  0  0
 14 16  2  0  0  0  0
 15 10  1  0  0  0  0
 16 13  1  0  0  0  0
 17 10  1  0  0  0  0
 18 15  1  0  0  0  0
 19 15  2  0  0  0  0
 20 19  1  0  0  0  0
 21 18  2  0  0  0  0
 22 20  2  0  0  0  0
  3  5  2  0  0  0  0
 21 22  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <Mol_ID> (959)
959

>  <Formula> (959)
C18H17NO3

>  <MolWeight> (959)
295.33248

>  <COMPOUND_NAME> (959)
WAY-225220

>  <BAR_CODE_NO> (959)
3904456

$$$$
WAY-225391
csChFnd80/06171916322D

 23 26  0  0  0  0  0  0  0  0999 V2000
    5.7031    4.1731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0452    4.1731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4327    1.8308    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.8942    2.5510    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.3712    1.1779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3606    5.3173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5558    2.9346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7510    1.1779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    5.3173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7942    2.5510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3777    1.8308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4596    5.3173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4067    4.1596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3596    6.5154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7596    6.5154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7596    4.1596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4173    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4644    2.3962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1019    5.3173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8644    2.3962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8038    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4904    1.1779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  1  2  0  0  0  0
  8  5  1  0  0  0  0
  9  6  1  0  0  0  0
 10  4  1  0  0  0  0
 11  3  1  0  0  0  0
 12 15  2  0  0  0  0
 13  9  1  0  0  0  0
 14  9  2  0  0  0  0
 15 14  1  0  0  0  0
 16 13  2  0  0  0  0
 17 10  1  0  0  0  0
 18  8  2  0  0  0  0
 19  8  1  0  0  0  0
 20 12  1  0  0  0  0
 21 19  2  0  0  0  0
 22 18  1  0  0  0  0
 23 21  1  0  0  0  0
  5  3  1  0  0  0  0
 12 16  1  0  0  0  0
 17 11  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (960)
960

>  <Formula> (960)
C21H23NO

>  <MolWeight> (960)
305.41342

>  <COMPOUND_NAME> (960)
WAY-225391

>  <BAR_CODE_NO> (960)
3905164

$$$$
WAY-225408
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -0.5806   -0.3668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9794   -0.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0606   -0.0278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1624    0.1702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4214   -0.5918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7714    0.1702    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7666   -0.9548    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0106   -0.1838    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5676   -0.3668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3696   -0.9368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8054    0.6442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9544   -0.3998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4714   -0.7568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0366    0.5692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0126    1.1632    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3104   -1.1888    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0334    1.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1916   -0.3728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6274    1.2652    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.8826   -1.2878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2054    0.5872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4714   -1.3508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3536   -0.9368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6824    1.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1516    1.0612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0884    1.6162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  1  3  2  0  0  0  0
  4  2  1  0  0  0  0
  5  8  1  0  0  0  0
  6  4  2  0  0  0  0
  7  1  1  0  0  0  0
  8  1  1  0  0  0  0
  9  3  1  0  0  0  0
 10  7  1  0  0  0  0
 11  4  1  0  0  0  0
 12 13  1  0  0  0  0
  2 13  2  0  0  0  0
 14  3  1  0  0  0  0
 15 14  3  0  0  0  0
 16  5  2  0  0  0  0
 11 17  2  0  0  0  0
 18  9  1  0  0  0  0
 19 17  1  0  0  0  0
 20 10  1  0  0  0  0
 21 11  1  0  0  0  0
 22 13  1  0  0  0  0
 23 20  1  0  0  0  0
 24 17  1  0  0  0  0
 25 21  2  0  0  0  0
 26 25  1  0  0  0  0
  9 10  2  0  0  0  0
 18 23  1  0  0  0  0
  6 12  1  0  0  0  0
 24 26  2  0  0  0  0
M  END
>  <Mol_ID> (961)
961

>  <Formula> (961)
C19H14ClN3O2S

>  <MolWeight> (961)
383.85136

>  <COMPOUND_NAME> (961)
WAY-225408

>  <BAR_CODE_NO> (961)
3905296

$$$$
WAY-231059
csChFnd80/06171916322D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -0.3982   -0.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7671   -0.9708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3846   -2.0983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0294    0.3706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1947    0.3706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6708   -1.8535    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0982   -3.4673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0844    1.1396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4775    0.8396    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.1122   -0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8361    2.1810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5913    0.0430    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.1984    0.4706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4811   -0.3156    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6536    1.7810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9225    0.9982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9949    2.0534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
  5  8  2  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (962)
962

>  <Formula> (962)
C10H7N3O4

>  <MolWeight> (962)
233.18028

>  <COMPOUND_NAME> (962)
WAY-231059

>  <BAR_CODE_NO> (962)
3906124

$$$$
WAY-232956
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
    1.3789   -0.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1858   -0.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2927    0.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7755   -1.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5927   -0.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5996   -1.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0410    0.5931    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5789    0.6586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0073   -0.8655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9513   -1.9207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4134   -0.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4168   -1.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1349    1.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8306   -0.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8383    0.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1383    1.8828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5452    1.0586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2625    0.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9832    1.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2625   -0.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6866    0.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9832    1.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9832   -0.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5452   -0.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6866   -0.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  8 13  1  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
  5  7  1  0  0  0  0
 12 14  1  0  0  0  0
 23 25  2  0  0  0  0
M  END
>  <Mol_ID> (963)
963

>  <Formula> (963)
C19H22N2O3S

>  <MolWeight> (963)
358.45458

>  <COMPOUND_NAME> (963)
WAY-232956

>  <BAR_CODE_NO> (963)
3904777

$$$$
WAY-233127
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    2.3240   -0.5586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5792   -1.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0378   -1.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1792    0.8414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7723   -0.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6620   -2.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0895   -0.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7757   -2.5276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8032    1.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2344    1.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0344   -1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8929   -3.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3071   -0.0690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2343    2.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0585   -2.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9933    1.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4209    1.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3071    2.3828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1036   -0.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1036    2.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5071   -0.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5312    2.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2174    1.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1864   -1.3310    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  9 14  1  0  0  0  0
 11 15  2  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 17 20  2  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
  7  9  2  0  0  0  0
 12 15  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (964)
964

>  <Formula> (964)
C18H16FN3O2

>  <MolWeight> (964)
325.3369432

>  <COMPOUND_NAME> (964)
WAY-233127

>  <BAR_CODE_NO> (964)
3904989

$$$$
WAY-233273
csChFnd80/06171916322D

 15 16  0  0  0  0  0  0  0  0999 V2000
    1.1311   -0.9122    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7103   -0.9122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3436    0.4503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6478   -2.2080    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6478    0.3628    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2397    0.4628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1103    1.8128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0272    1.8378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0272   -0.8997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6147    1.8378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6147   -0.8997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4147    0.4628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1603   -1.7122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1603   -0.1330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9731    0.4503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  3  2  0  0  0  0
  8  6  2  0  0  0  0
  9  6  1  0  0  0  0
 10  8  1  0  0  0  0
 11  9  2  0  0  0  0
 12 11  1  0  0  0  0
 13  4  1  0  0  0  0
 14  5  1  0  0  0  0
 15 12  1  0  0  0  0
 13 14  1  0  0  0  0
 10 12  2  0  0  0  0
M  END
>  <Mol_ID> (965)
965

>  <Formula> (965)
C11H12N2OS

>  <MolWeight> (965)
220.29078

>  <COMPOUND_NAME> (965)
WAY-233273

>  <BAR_CODE_NO> (965)
3904862

$$$$
WAY-234945
csChFnd80/06171916322D

 28 30  0  0  0  0  0  0  0  0999 V2000
   -1.8832    0.3206    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9073    0.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8659    0.9033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8970   -0.8691    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9245    0.3102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9073    2.0827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1582    0.3068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9107   -1.4484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7107   -0.8691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3107   -1.8898    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9452    0.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9245    2.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1858    0.8930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1375   -0.8794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9452    2.0827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9728    0.3068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2030    0.2827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1617   -1.4829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9728    2.6758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1962   -0.9035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2099   -1.5070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2375   -0.9311    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1996   -2.6898    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2617   -1.5346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2479    0.2516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2893   -0.9553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2858    0.8344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3030    0.2309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  7 14  2  0  0  0  0
 11 15  2  0  0  0  0
 11 16  1  0  0  0  0
 13 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 12 15  1  0  0  0  0
 18 20  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (966)
966

>  <Formula> (966)
C22H28N2O3S

>  <MolWeight> (966)
400.53432

>  <COMPOUND_NAME> (966)
WAY-234945

>  <BAR_CODE_NO> (966)
3905868

$$$$
WAY-237387
csChFnd80/06171916322D

 21 22  0  0  0  0  0  0  0  0999 V2000
    7.2526    2.1498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2853    3.0678    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8427    2.1498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0591    2.8461    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6414    2.8461    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5170    2.4023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6886    4.3302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3345    4.1694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    2.1115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8427    0.7497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6723    3.1367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2164    2.8154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5170    0.9182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2297    0.7726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9464    3.4657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0886    4.2155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2317    3.9629    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    0.7115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2164    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  2  1  0  0  0  0
  8  4  1  0  0  0  0
  9  5  1  0  0  0  0
 10  3  2  0  0  0  0
 11  6  2  0  0  0  0
 12  9  1  0  0  0  0
 13  6  1  0  0  0  0
 14  1  1  0  0  0  0
 15  1  1  0  0  0  0
 16  2  1  0  0  0  0
 17 12  1  0  0  0  0
 18  9  2  0  0  0  0
 19 12  2  0  0  0  0
 20 18  1  0  0  0  0
 21 20  2  0  0  0  0
  8  7  1  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <Mol_ID> (967)
967

>  <Formula> (967)
C16H21NO4

>  <MolWeight> (967)
291.34224

>  <COMPOUND_NAME> (967)
WAY-237387

>  <BAR_CODE_NO> (967)
3905514

$$$$
WAY-237680-B
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.8584    0.7830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8550    1.6174    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1377    0.3657    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5688    0.3726    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5864    1.6105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2791    1.6140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5830    0.7761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1412   -0.4619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2826    0.7899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3036    2.0209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3002    0.3657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5657   -0.8791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9964    0.3830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0140    1.6071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0174    0.7795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5554   -1.6998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2623   -2.1101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1550   -2.0929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2519   -2.9274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1653   -2.9136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  7 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
  5  7  1  0  0  0  0
  6  9  2  0  0  0  0
 14 15  2  0  0  0  0
M  END
>  <Mol_ID> (968)
968

>  <Formula> (968)
C16H22N4

>  <MolWeight> (968)
270.37268

>  <COMPOUND_NAME> (968)
WAY-237680-B

>  <BAR_CODE_NO> (968)
3905250

$$$$
WAY-240246
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
    4.8414    2.1055    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0478    2.8022    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8414    4.9193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0478    4.2071    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6272    2.8022    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6272    4.2071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8414    6.3281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2621    2.1055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4285    2.1055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2816    4.9387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4530    2.8022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2621    0.6888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2142    2.8022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4285    0.6888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2142    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6673    2.1055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4530    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6673    0.6888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  6  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7  3  2  0  0  0  0
  8  2  1  0  0  0  0
  9  5  1  0  0  0  0
 10  4  1  0  0  0  0
 11  8  1  0  0  0  0
 12  8  2  0  0  0  0
 13  9  2  0  0  0  0
 14  9  1  0  0  0  0
 15 14  2  0  0  0  0
 16 11  2  0  0  0  0
 17 12  1  0  0  0  0
 18 13  1  0  0  0  0
 19 17  2  0  0  0  0
 20 15  1  0  0  0  0
  4  3  1  0  0  0  0
 20 18  2  0  0  0  0
 19 16  1  0  0  0  0
M  END
>  <Mol_ID> (969)
969

>  <Formula> (969)
C18H19NO

>  <MolWeight> (969)
265.34956

>  <COMPOUND_NAME> (969)
WAY-240246

>  <BAR_CODE_NO> (969)
3904525

$$$$
WAY-243225-A
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
    6.6515    3.6815    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.3367    4.1655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2013    7.0280    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.7551    5.1275    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5400    9.1436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5400    7.6794    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1396    5.5219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2789    3.2630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1177    5.0021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9604    3.2092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2670    9.6874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4343    5.6475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.9284    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0479    7.6017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5778    8.9463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9583    3.8008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8188    6.0300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1675    2.3726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0579    1.2969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5799    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3 12  1  0  0  0  0
  4 16  1  0  0  0  0
  5  6  1  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8  2  1  0  0  0  0
  9  1  2  0  0  0  0
 10  1  2  0  0  0  0
 11 13  1  0  0  0  0
 12  4  1  0  0  0  0
 13 14  1  0  0  0  0
 14  3  1  0  0  0  0
 15  6  1  0  0  0  0
 16  8  1  0  0  0  0
 17  7  1  0  0  0  0
 18  1  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
  4 17  1  0  0  0  0
 13 15  1  0  0  0  0
  5 11  2  0  0  0  0
M  END
>  <Mol_ID> (970)
970

>  <Formula> (970)
C15H26N2O2S

>  <MolWeight> (970)
298.44414

>  <COMPOUND_NAME> (970)
WAY-243225-A

>  <BAR_CODE_NO> (970)
3905093

$$$$
WAY-246859
csChFnd80/06171916322D

 29 31  0  0  0  0  0  0  0  0999 V2000
   -0.6797    0.5813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3039    0.9434    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6797   -0.1290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0659    0.9434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9211    0.5813    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0659   -0.4807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5513    0.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5453    0.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2728    1.2158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5522   -0.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5616   -0.1290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1763    0.5641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5453   -0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1754   -0.4807    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7935    0.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1763   -0.8600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8099   -0.8325    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8168   -1.1049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5375    0.1503    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7763   -0.5256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4237   -0.4635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4004   -0.8945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4237    0.2572    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0651   -0.7980    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0134    0.6262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6720   -0.4394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6478    0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9685    1.3400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2892   -0.7911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  2  0  0  0  0
 14 19  2  0  0  0  0
 15 20  1  0  0  0  0
 17 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  2  0  0  0  0
 21 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  2  0  0  0  0
 25 28  1  0  0  0  0
 26 29  1  0  0  0  0
  7 11  2  0  0  0  0
 16 20  2  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (971)
971

>  <Formula> (971)
C19H20N4O4S2

>  <MolWeight> (971)
432.5165

>  <COMPOUND_NAME> (971)
WAY-246859

>  <BAR_CODE_NO> (971)
3905285

$$$$
WAY-301647
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -0.5966   -1.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2414   -0.8241    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.5172   -1.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5966   -2.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2414    0.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0828   -1.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8379   -0.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0793   -1.7655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5172   -2.5655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2414   -2.7655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0828    0.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5966    0.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0828   -2.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9414   -0.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2172    0.6034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7793    0.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0828    1.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5966    1.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9414   -2.7448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8034   -0.3862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5379    1.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0966    0.9552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2414    2.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9207    2.0759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4793    1.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2414    3.0345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7414    1.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
  6 13  2  0  0  0  0
  6 14  1  0  0  0  0
  7 15  2  0  0  0  0
  7 16  1  0  0  0  0
 11 17  2  0  0  0  0
 12 18  1  0  0  0  0
 13 19  1  0  0  0  0
 14 20  3  0  0  0  0
 15 21  1  0  0  0  0
 16 22  2  0  0  0  0
 17 23  1  0  0  0  0
 17 24  1  0  0  0  0
 21 25  2  0  0  0  0
 23 26  1  0  0  0  0
 24 27  1  0  0  0  0
 27 28  1  0  0  0  0
  8  9  1  0  0  0  0
 10 13  1  0  0  0  0
 18 23  2  0  0  0  0
 22 25  1  0  0  0  0
M  END
>  <Mol_ID> (972)
972

>  <Formula> (972)
C21H18N4O3

>  <MolWeight> (972)
374.39262

>  <COMPOUND_NAME> (972)
WAY-301647

>  <BAR_CODE_NO> (972)
3904133

$$$$
WAY-301657
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.5886    0.9761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4562    1.5864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8473   -0.1653    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6093    1.5864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4562    2.8140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4941    0.9761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0197   -0.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5059    0.7933    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4941    3.3968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5424    1.5864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6093   -1.3446    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5424    2.7830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0335   -2.3274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6182    3.3726    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.8335   -2.1860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6542   -3.4515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1093   -3.1619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3438   -1.0757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1010   -3.0205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8596   -0.9343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5907   -1.9032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  9 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
  7  8  1  0  0  0  0
 10 12  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (973)
973

>  <Formula> (973)
C16H11ClN2OS

>  <MolWeight> (973)
314.78934

>  <COMPOUND_NAME> (973)
WAY-301657

>  <BAR_CODE_NO> (973)
3904145

$$$$
WAY-301678
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -1.6241   -0.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6448    0.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6448   -0.6552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5448   -0.8966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6655    1.0241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5655    1.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0241    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4655   -0.3586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5586   -1.9483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3138    2.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4724    0.7034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5724    2.3103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0345    0.2414    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3586   -0.9276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4276    1.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6069   -0.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6552   -0.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1759    0.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2345   -1.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2138    0.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2759   -1.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7931   -0.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8931   -0.4897    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 14  2  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
  5  7  1  0  0  0  0
  8 11  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (974)
974

>  <Formula> (974)
C15H15FN4O2S

>  <MolWeight> (974)
334.3686032

>  <COMPOUND_NAME> (974)
WAY-301678

>  <BAR_CODE_NO> (974)
3904168

$$$$
WAY-301686
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
    3.9300   -7.6035    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3790   -9.2830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5105  -11.3350    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0290   -8.5480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7495  -10.8570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0815   -9.0610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0350   -7.3820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0175   -8.5365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0060   -8.5480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0350   -5.0495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5565  -10.6475    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0235   -7.4170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.4170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0060   -3.9185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2595  -10.9155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -5.0495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8280   -6.9040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4780   -8.5365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0060  -10.8570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0060   -1.5860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0785   -6.6820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  2  0  0  0  0
  5  4  1  0  0  0  0
  6  2  1  0  0  0  0
  7  8  1  0  0  0  0
  8 12  1  0  0  0  0
  9  7  2  0  0  0  0
 10  7  1  0  0  0  0
 11 15  2  0  0  0  0
 12  4  1  0  0  0  0
 13  9  1  0  0  0  0
 14 10  2  0  0  0  0
 15  6  1  0  0  0  0
 16 14  1  0  0  0  0
 17  6  2  0  0  0  0
 18 21  2  0  0  0  0
 19  9  1  0  0  0  0
 20 14  1  0  0  0  0
 21 17  1  0  0  0  0
  5  3  1  0  0  0  0
 18 11  1  0  0  0  0
 16 13  2  0  0  0  0
M  END
>  <Mol_ID> (975)
975

>  <Formula> (975)
C16H15N3O2

>  <MolWeight> (975)
281.3092

>  <COMPOUND_NAME> (975)
WAY-301686

>  <BAR_CODE_NO> (975)
3904180

$$$$
WAY-301687
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
    0.7310    0.3586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0897    0.9966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0897   -0.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0103    0.3586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8310    0.9966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7310    1.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8310   -0.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7310   -0.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3931   -0.2862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3931    0.9966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1897    1.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0897    2.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1897   -0.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0897   -1.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1103   -0.2862    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.8310    2.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8310   -1.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4931   -0.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4931    0.3586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2034    2.9103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2034   -2.1897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2310   -0.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5931   -1.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5931   -0.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3310   -1.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3310   -0.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6931   -0.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 11 16  2  0  0  0  0
 13 17  1  0  0  0  0
 15 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  2  0  0  0  0
 12 16  1  0  0  0  0
 14 17  2  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (976)
976

>  <Formula> (976)
C23H25N3O

>  <MolWeight> (976)
359.4641

>  <COMPOUND_NAME> (976)
WAY-301687

>  <BAR_CODE_NO> (976)
3904181

$$$$
WAY-301697
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -3.5244   -0.0859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0658   -0.3756    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6348   -1.0549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6762    1.3313    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3451    0.8865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3141   -2.5135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3624    1.9555    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1342    0.8865    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4382   -3.4721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9175   -2.9652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8756   -0.3756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1382   -4.9549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5865   -4.3997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3480   -0.3756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7313   -5.3928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0963    0.9210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0894   -1.6480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3963    2.2037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5480    0.8865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1169    3.4693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3376    2.1762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5963    3.4486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3583    4.7244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8376    4.7244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  2  0  0  0  0
  8 11  1  0  0  0  0
  9 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
  5  7  2  0  0  0  0
 13 15  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (977)
977

>  <Formula> (977)
C18H16N2O3S

>  <MolWeight> (977)
340.39624

>  <COMPOUND_NAME> (977)
WAY-301697

>  <BAR_CODE_NO> (977)
3904193

$$$$
WAY-301700
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    3.6034    0.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7690    0.0342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7379   -0.5555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1034    1.3273    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6345    0.8445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2724   -1.0382    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7034    0.0204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9241    1.1825    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6690    0.2721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4483   -0.8934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6310   -0.4865    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3414    0.1928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4138   -0.3106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3862    0.3652    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5207   -1.4900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4621   -0.1382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4310    0.5411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5621   -1.3175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5034    0.0411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3310    1.7204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6345   -1.8175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6069   -1.1451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3034    2.3963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  2  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (978)
978

>  <Formula> (978)
C15H13N3O4S

>  <MolWeight> (978)
331.34642

>  <COMPOUND_NAME> (978)
WAY-301700

>  <BAR_CODE_NO> (978)
3904196

$$$$
WAY-301718
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.5862    0.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5862   -0.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3069    0.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1310    0.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3103   -1.1172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1241   -1.1207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0241    0.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8414    0.1276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1310    1.3655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0241   -0.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1241   -1.9448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7379    0.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5552    0.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7379   -1.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4483    0.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    0.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5552    1.3586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4483   -0.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9793    0.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690   -0.6966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    1.7724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9897    1.3586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9793   -1.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
 10 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 16 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  2  0  0  0  0
 19 22  2  0  0  0  0
 20 23  1  0  0  0  0
  7 10  1  0  0  0  0
 15 18  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (979)
979

>  <Formula> (979)
C17H14N2O4

>  <MolWeight> (979)
310.30406

>  <COMPOUND_NAME> (979)
WAY-301718

>  <BAR_CODE_NO> (979)
3904217

$$$$
WAY-301719
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -0.2483    0.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2483   -0.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9759    0.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4621    0.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9759   -1.1931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4621   -1.1966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6862    0.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1759    0.0517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4621    1.2897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6966   -0.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4621   -2.0207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4069    0.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8931    0.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4069   -1.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1207    0.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6034    0.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8862    1.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1207   -0.7724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8345    0.4655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3172    0.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6000   -0.7724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6000    1.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8345    1.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3172    1.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3138   -1.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
 10 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 16 21  1  0  0  0  0
 17 22  2  0  0  0  0
 19 23  1  0  0  0  0
 20 24  2  0  0  0  0
 21 25  1  0  0  0  0
  7 10  1  0  0  0  0
 15 18  2  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <Mol_ID> (980)
980

>  <Formula> (980)
C18H16N2O5

>  <MolWeight> (980)
340.33004

>  <COMPOUND_NAME> (980)
WAY-301719

>  <BAR_CODE_NO> (980)
3904218

$$$$
WAY-301720
csChFnd80/06171916322D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -1.7616    0.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7616    1.4450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9858   -0.6895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5375   -0.6895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5168    2.1140    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0065    2.1898    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9858   -2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5375   -2.0998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7073    1.3519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7616   -2.8240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6349   -0.0757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9694    2.0588    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8418   -0.8550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1970    1.2588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1384   -0.1895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3660   -0.9309    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  7 10  2  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  2  0  0  0  0
 15 16  1  0  0  0  0
  8 10  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (981)
981

>  <Formula> (981)
C11H8ClN3O

>  <MolWeight> (981)
233.65372

>  <COMPOUND_NAME> (981)
WAY-301720

>  <BAR_CODE_NO> (981)
3904219

$$$$
WAY-301735
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -0.3069    0.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9552    0.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4138    0.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4345   -0.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4862   -0.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1483    1.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6448    0.9793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9931   -0.1483    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1483   -0.8207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0690   -1.2379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1966    0.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8552    1.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3517    0.9793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1931    1.6276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5828    0.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4862   -1.5207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4069    0.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8138    1.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3034    0.1276    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0345   -2.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5034    2.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3552   -2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3069   -2.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9655    2.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9345   -3.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1138   -2.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6931    2.8138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6448    3.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2310   -3.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  2  0  0  0  0
  8 15  1  0  0  0  0
  9 16  1  0  0  0  0
 11 17  1  0  0  0  0
 13 18  1  0  0  0  0
 15 19  2  0  0  0  0
 16 20  1  0  0  0  0
 18 21  1  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
 23 26  2  0  0  0  0
 24 27  1  0  0  0  0
 24 28  2  0  0  0  0
 25 29  2  0  0  0  0
  5  9  1  0  0  0  0
 12 17  2  0  0  0  0
 13 15  1  0  0  0  0
 26 29  1  0  0  0  0
M  END
>  <Mol_ID> (982)
982

>  <Formula> (982)
C21H16N2O4S2

>  <MolWeight> (982)
424.49274

>  <COMPOUND_NAME> (982)
WAY-301735

>  <BAR_CODE_NO> (982)
3904238

$$$$
WAY-301785
csChFnd80/06171916322D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -1.1323    0.0355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3151    0.0665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5116   -0.6921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6013    0.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3056   -0.5852    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0918    0.7769    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3461   -0.7680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4357    0.6872    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2082    1.5044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9849   -0.1921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8815    0.6251    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8288   -0.0714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7530   -1.5231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7125   -0.5852    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7082   -0.1473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5875   -1.5990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4091   -0.1783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0702   -0.8887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4091    0.6562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1505   -0.5714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1505    1.0803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8918   -0.1611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8918    0.6872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6194    1.1113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  2  0  0  0  0
  7 13  1  0  0  0  0
 10 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 18  2  0  0  0  0
 17 19  1  0  0  0  0
 17 20  2  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
  8 12  1  0  0  0  0
 10 11  2  0  0  0  0
 16 18  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (983)
983

>  <Formula> (983)
C18H13N3O2S

>  <MolWeight> (983)
335.37972

>  <COMPOUND_NAME> (983)
WAY-301785

>  <BAR_CODE_NO> (983)
3904299

$$$$
WAY-301797
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -2.6862    0.4448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7655    0.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8483   -0.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4655    1.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9862    2.0069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8483    0.4448    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0276   -1.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8276   -1.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0483    2.1241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5276    0.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0724    0.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1655   -2.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0069   -2.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0138    0.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1655   -2.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9517    0.9862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9931   -0.6552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8931    0.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8138    0.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8931   -0.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7345    0.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8138    2.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8138   -1.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7345   -0.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6448   -1.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  2  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
  5  9  1  0  0  0  0
 13 15  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (984)
984

>  <Formula> (984)
C19H20N4OS

>  <MolWeight> (984)
352.4533

>  <COMPOUND_NAME> (984)
WAY-301797

>  <BAR_CODE_NO> (984)
3904313

$$$$
WAY-301809
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -1.7345   -0.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7345   -1.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0862   -0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3862   -0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0862   -1.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3862   -1.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4310   -0.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0759    0.5414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0414   -0.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4310   -1.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0414   -1.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2207   -0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2069    0.4793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8483    0.8655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5034    0.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8345    1.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1483    0.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4759    2.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1310    1.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8034    0.5276    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.4448    0.9172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8172   -0.2207    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (985)
985

>  <Formula> (985)
C17H14N2O3

>  <MolWeight> (985)
294.30466

>  <COMPOUND_NAME> (985)
WAY-301809

>  <BAR_CODE_NO> (985)
3904325

$$$$
WAY-301831
csChFnd80/06171916322D

 33 36  0  0  0  0  0  0  0  0999 V2000
    0.6034    0.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6034    0.8862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1862    0.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0862   -0.0345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0862    1.1862    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.1862    1.0655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3862   -0.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5241    0.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4345    0.2655    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.4345    0.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0862    1.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9759   -0.6448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9862   -0.9724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9552   -0.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0862    2.4069    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.6862    1.7862    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5345    1.7862    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4034   -0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1448   -1.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9552   -0.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4759    0.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9931   -0.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7345   -1.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4759   -0.9345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9966   -0.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1655   -0.9345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9966   -0.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4759   -1.5552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5345    0.2862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5345   -0.9552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9552   -1.8552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0759   -0.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0759   -0.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  2  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
 12 19  1  0  0  0  0
 14 20  2  0  0  0  0
 14 21  1  0  0  0  0
 18 22  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  1  0  0  0  0
 21 25  2  0  0  0  0
 22 26  1  0  0  0  0
 24 27  2  0  0  0  0
 24 28  1  0  0  0  0
 25 29  1  0  0  0  0
 27 30  1  0  0  0  0
 28 31  1  0  0  0  0
 29 32  1  0  0  0  0
 30 33  1  0  0  0  0
  6  8  2  0  0  0  0
  9 10  1  0  0  0  0
 23 26  1  0  0  0  0
 25 27  1  0  0  0  0
M  END
>  <Mol_ID> (986)
986

>  <Formula> (986)
C21H25F3N4O5

>  <MolWeight> (986)
470.4422096

>  <COMPOUND_NAME> (986)
WAY-301831

>  <BAR_CODE_NO> (986)
3904348

$$$$
WAY-301834
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
    2.1253    0.5934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0978    0.1762    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9874   -0.0859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2805    1.6796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2219    0.8555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9529   -0.9238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0047    0.3279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8288   -1.1790    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.2978    2.0865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8057    0.4348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0712   -1.3445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1598    1.4107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9540   -0.6686    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9712   -1.0859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7402   -0.3066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9747   -2.1893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0850    0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6367   -0.9583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1884    0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5298   -0.3066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  2  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (987)
987

>  <Formula> (987)
C15H15FN2O2

>  <MolWeight> (987)
274.2902032

>  <COMPOUND_NAME> (987)
WAY-301834

>  <BAR_CODE_NO> (987)
3904351

$$$$
WAY-301837
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -4.2129   -1.4131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2141   -2.2404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4993   -2.6533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7828   -2.2400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7857   -1.4094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5011   -1.0003    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0644   -0.9901    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0698   -0.1589    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3573    0.2536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6407   -0.1623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0755    0.2495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0755    1.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6424    1.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3557    1.0827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7927    1.5036    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5127    1.0923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2222    1.5100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9442    1.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7859    0.2508    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3573   -0.5714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5181    0.2673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9479    0.2733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6691   -0.1342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3841    0.2873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3734    1.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6516    1.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1031   -0.1173    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
  5  7  1  0  0  0  0
 12 15  1  0  0  0  0
  3  4  2  0  0  0  0
 15 16  1  0  0  0  0
  7  8  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
  8  9  1  0  0  0  0
  8 19  2  0  0  0  0
  4  5  1  0  0  0  0
  8 20  2  0  0  0  0
  9 10  2  0  0  0  0
 16 21  2  0  0  0  0
  2  3  1  0  0  0  0
 18 22  2  0  0  0  0
 10 11  1  0  0  0  0
 22 23  1  0  0  0  0
  5  6  2  0  0  0  0
 23 24  2  0  0  0  0
 11 12  2  0  0  0  0
 24 25  1  0  0  0  0
  6  1  1  0  0  0  0
 25 26  2  0  0  0  0
 26 18  1  0  0  0  0
 12 13  1  0  0  0  0
 24 27  1  0  0  0  0
M  END
>  <Mol_ID> (988)
988

>  <Formula> (988)
C18H15ClN4O3S

>  <MolWeight> (988)
402.8547

>  <COMPOUND_NAME> (988)
WAY-301837

>  <BAR_CODE_NO> (988)
3904354

$$$$
WAY-301848
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -0.7069   -0.2276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5172    0.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1552    0.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6414   -1.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5172    1.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3276   -0.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7586   -0.5414    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.3931    1.0793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3069   -1.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3276   -1.7966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3276    1.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7069    1.6552    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.1414    0.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6931   -0.4448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1414    1.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0724    0.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2345   -1.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0103    0.5207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1724   -1.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5586   -0.2586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  2  0  0  0  0
  7 14  1  0  0  0  0
 11 15  2  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
  7  9  1  0  0  0  0
 13 15  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (989)
989

>  <Formula> (989)
C14H15ClN2O3

>  <MolWeight> (989)
294.7335

>  <COMPOUND_NAME> (989)
WAY-301848

>  <BAR_CODE_NO> (989)
3904366

$$$$
WAY-301853
csChFnd80/06171916322D

 22 23  0  0  0  0  0  0  0  0999 V2000
   -1.5552    0.3000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.7414   -0.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5552    1.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3621   -0.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7414   -1.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0621    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7621    1.8966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3552    1.8621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3621   -1.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5552   -1.5793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2138   -1.6172    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8621    0.7621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0759    2.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0414    2.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2379   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2379   -1.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5034    3.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0241   -1.7276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8966   -1.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7241   -1.7276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5241   -1.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3069   -1.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  3  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  2  0  0  0  0
 11 16  1  0  0  0  0
 13 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
  9 10  1  0  0  0  0
 13 14  2  0  0  0  0
M  END
>  <Mol_ID> (990)
990

>  <Formula> (990)
C17H22N2O2S

>  <MolWeight> (990)
318.43378

>  <COMPOUND_NAME> (990)
WAY-301853

>  <BAR_CODE_NO> (990)
3904374

$$$$
WAY-301861
csChFnd80/06171916322D

 27 28  0  0  0  0  0  0  0  0999 V2000
    0.1552    0.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1103    1.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5379    0.3655    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9310    0.5862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9379    1.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3759    2.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1862    0.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1000   -0.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4310    2.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8621    2.9586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9862    0.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8897   -0.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4897   -0.7724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5931    1.1586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1793   -0.2138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0586   -1.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000    1.9690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3897    0.9138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4483   -1.8276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8414   -1.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    2.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9897    1.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6172   -2.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0172   -2.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4069   -2.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5793   -3.6931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9690   -4.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  3  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  2  0  0  0  0
 11 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12 16  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  1  0  0  0  0
 16 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  2  0  0  0  0
 23 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
  5  7  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (991)
991

>  <Formula> (991)
C20H23N3O3S

>  <MolWeight> (991)
385.47992

>  <COMPOUND_NAME> (991)
WAY-301861

>  <BAR_CODE_NO> (991)
3904384

$$$$
WAY-301863
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
    1.6966    0.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1276    0.9931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2759   -0.3966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8379    0.2345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9655    0.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6759    1.7345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0586   -0.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0966   -1.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3966    0.9724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6586    1.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8172    1.7241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8483   -0.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2759   -1.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4724    0.9621    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.4483    0.9828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5379    0.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1069   -2.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8931    0.2138    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.7621    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4621   -0.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2034   -0.5586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2034    0.9517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4069   -0.5483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0621   -0.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4931    0.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4931   -1.3069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3621    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3621   -1.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7931   -0.5483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6621   -0.5483    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  2  0  0  0  0
 12 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  2  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  2  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
  5  7  2  0  0  0  0
  9 11  1  0  0  0  0
 15 16  1  0  0  0  0
 28 29  2  0  0  0  0
M  END
>  <Mol_ID> (992)
992

>  <Formula> (992)
C21H21ClN6OS

>  <MolWeight> (992)
440.94904

>  <COMPOUND_NAME> (992)
WAY-301863

>  <BAR_CODE_NO> (992)
3904386

$$$$
WAY-301892
csChFnd80/06171916322D

 34 37  0  0  0  0  0  0  0  0999 V2000
   -1.1811    0.7423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1386    2.2417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6203    0.3194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0962   -0.0442    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1812    2.9546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5515    2.7455    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1240   -1.0935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4672    1.5574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4159    0.6687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4584    2.1681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2237    4.4540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5995   -1.3636    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1523   -2.2362    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6932   -0.1179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6830    4.8010    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0052    5.9380    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2737    4.3656    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9963   -2.8102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4831   -0.1515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0130    0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6507   -1.6173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3746   -3.4019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9817   -0.0866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2902   -0.1915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9279   -2.4038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6967   -2.6932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9668   -1.2177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2477   -1.6909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6100    0.5214    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8854   -3.9032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5250   -2.4774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6525    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5656   -4.6161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4825   -3.9768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  2  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
 12 19  1  0  0  0  0
 14 20  1  0  0  0  0
 14 21  2  0  0  0  0
 18 22  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  2  0  0  0  0
 21 25  1  0  0  0  0
 22 26  1  0  0  0  0
 23 27  1  0  0  0  0
 24 28  1  0  0  0  0
 24 29  1  0  0  0  0
 25 30  1  0  0  0  0
 28 31  1  0  0  0  0
 29 32  1  0  0  0  0
 30 33  1  0  0  0  0
 31 34  1  0  0  0  0
  6  8  2  0  0  0  0
  9 10  1  0  0  0  0
 25 28  2  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (993)
993

>  <Formula> (993)
C23H25F3N4O4

>  <MolWeight> (993)
478.4642096

>  <COMPOUND_NAME> (993)
WAY-301892

>  <BAR_CODE_NO> (993)
3904420

$$$$
WAY-301893
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -0.3862    0.0103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3862   -0.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9483    0.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2310    0.2103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9483   -0.9690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2310   -0.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5069    0.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9483    0.9931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6138   -0.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5069   -0.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4310   -1.4690    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.9483    1.6310    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2862    0.9931    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5862    0.9931    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2655   -0.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0690   -0.9517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5931    0.2483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5931   -0.8897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6483   -0.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1690   -1.5897    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2310    0.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0862   -1.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8069   -1.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5414    0.8103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2793    1.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1793    0.8690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7517    1.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3172    1.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
 22 23  2  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <Mol_ID> (994)
994

>  <Formula> (994)
C17H10BrF3N4O2S

>  <MolWeight> (994)
471.2511096

>  <COMPOUND_NAME> (994)
WAY-301893

>  <BAR_CODE_NO> (994)
3904422

$$$$
WAY-301899
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -1.5016    0.5891    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5641    1.0849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3849   -0.5817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3599   -1.2651    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5224    0.4016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4224   -0.7776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7192   -0.2234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7776   -0.7109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7567   -0.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7484   -0.9026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3141   -1.0901    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.6526    1.1599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6692   -0.4067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5901    0.9558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8484   -2.0734    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5692    1.6474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6724    2.2724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8234   -0.5317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6234    1.8433    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6099    0.8891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3849   -1.4692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5724    0.2016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4683   -0.9859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7 10  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10 13  1  0  0  0  0
 11  3  1  0  0  0  0
 12 16  1  0  0  0  0
 13 11  1  0  0  0  0
 14  7  1  0  0  0  0
 15 10  2  0  0  0  0
 16 14  2  0  0  0  0
 17  2  1  0  0  0  0
 18  9  1  0  0  0  0
 19 12  1  0  0  0  0
 20  5  1  0  0  0  0
 21  6  1  0  0  0  0
 22 20  2  0  0  0  0
 23 21  2  0  0  0  0
  5  6  2  0  0  0  0
 22 23  1  0  0  0  0
  9 12  2  0  0  0  0
M  END
>  <Mol_ID> (995)
995

>  <Formula> (995)
C16H12N2O4S

>  <MolWeight> (995)
328.34248

>  <COMPOUND_NAME> (995)
WAY-301899

>  <BAR_CODE_NO> (995)
3904428

$$$$
WAY-301901
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -0.1655   -0.9931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6690   -0.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5862   -0.7207    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6379   -1.6897    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4690   -0.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2172    0.3414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5690    0.1034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2724   -1.1897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4379   -1.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0241   -2.1828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1000   -2.3724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1931   -0.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2310    0.6034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0103   -0.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2103   -2.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1448   -1.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8897   -0.6621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1241    1.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9931    0.2793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8690   -1.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862    1.9207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3621    1.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6793    2.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2586    2.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9207    3.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8172    3.8828    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  1  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  6  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  4 11  2  0  0  0  0
  5 12  2  0  0  0  0
  7 13  1  1  0  0  0
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
  9 16  2  0  0  0  0
 12 17  1  0  0  0  0
 13 18  1  0  0  0  0
 13 19  2  0  0  0  0
 16 20  1  0  0  0  0
 18 21  2  0  0  0  0
 18 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  2  0  0  0  0
 25 26  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
 17 20  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (996)
996

>  <Formula> (996)
C17H15BrN4O3S

>  <MolWeight> (996)
435.295

>  <COMPOUND_NAME> (996)
WAY-301901

>  <BAR_CODE_NO> (996)
3904432

$$$$
WAY-301905
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
    5.3875   -3.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8667   -2.9042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.6417   -4.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5625   -3.5750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9750   -4.8417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3042   -4.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4250   -4.6167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2792   -2.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5625   -3.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1750   -2.4625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5167   -4.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8542   -1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9875   -5.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1042   -2.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0917   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2625   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5125   -1.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4917   -0.0292    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.5917   -5.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0292   -4.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8167   -4.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3667   -5.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9042   -4.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167   -4.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0750   -3.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  2  0  0  0  0
  7  3  1  0  0  0  0
  8  2  1  0  0  0  0
  9  2  2  0  0  0  0
 10  2  2  0  0  0  0
 11  6  1  0  0  0  0
 12  8  1  0  0  0  0
 13 21  1  0  0  0  0
 14  8  2  0  0  0  0
 15 17  2  0  0  0  0
 16 12  2  0  0  0  0
 17 14  1  0  0  0  0
 18 15  1  0  0  0  0
 19  7  1  0  0  0  0
 20  7  1  0  0  0  0
 21 20  1  0  0  0  0
 22 19  1  0  0  0  0
 23 11  1  0  0  0  0
 24 23  1  0  0  0  0
 25 23  1  0  0  0  0
  6  5  1  0  0  0  0
 22 13  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (997)
997

>  <Formula> (997)
C17H21ClN2O4S

>  <MolWeight> (997)
384.87764

>  <COMPOUND_NAME> (997)
WAY-301905

>  <BAR_CODE_NO> (997)
3904436

$$$$
WAY-301930
csChFnd80/06171916322D

 32 35  0  0  0  0  0  0  0  0999 V2000
   -0.8759    0.0483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8759   -0.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4586    0.3897    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.2379    0.2483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4586   -0.9724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2379   -0.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0379    0.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4586    1.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1621   -0.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0379   -0.6310    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.0172   -1.5103    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7759    1.0690    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1379    1.0690    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4586    1.7483    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.8414   -0.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6172   -0.9724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1828    0.2897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1828   -0.8897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2379   -0.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7172   -1.6517    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.8517    0.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6966   -1.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3759   -1.7724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1931    0.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1931   -0.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8621    0.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8621    1.4483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8621   -0.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2034    0.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1931    2.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8724    0.2897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2414    0.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  2  0  0  0  0
 21 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
 25 28  2  0  0  0  0
 26 29  2  0  0  0  0
 27 30  1  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
 22 23  2  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (998)
998

>  <Formula> (998)
C20H18ClF3N4O3S

>  <MolWeight> (998)
486.8951296

>  <COMPOUND_NAME> (998)
WAY-301930

>  <BAR_CODE_NO> (998)
3904471

$$$$
WAY-301954
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -0.3586    0.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9000    0.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3586    1.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1793    0.3310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9000   -0.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4276    0.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1793    1.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9000    1.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1793   -0.2966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3586   -0.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4276   -0.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9793    0.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1793    2.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9000    2.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3586   -1.2172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9793   -0.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3586    2.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1793   -1.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3586    3.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1793   -2.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7207   -1.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8897    3.3724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1793    3.5034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7207   -2.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2586   -1.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2586   -2.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8000   -2.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3310   -2.1552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8000   -3.0897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3000   -1.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  2  0  0  0  0
 13 17  1  0  0  0  0
 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 19 23  2  0  0  0  0
 20 24  1  0  0  0  0
 21 25  2  0  0  0  0
 24 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  2  0  0  0  0
 28 30  1  0  0  0  0
  9 10  2  0  0  0  0
 12 16  1  0  0  0  0
 14 17  2  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (999)
999

>  <Formula> (999)
C23H19N5O2

>  <MolWeight> (999)
397.42926

>  <COMPOUND_NAME> (999)
WAY-301954

>  <BAR_CODE_NO> (999)
3904500

$$$$
WAY-301963
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -1.5379   -0.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3069    0.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1448   -0.6379    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1069   -0.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7379    0.0724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5655    0.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7276   -0.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4069    0.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1172    0.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2552   -0.6897    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9172    0.3103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1828   -0.3793    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.0862    0.9724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7241   -0.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2034    0.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7069    0.9724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0552   -0.1103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8724   -1.0897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7448    0.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5724   -0.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9448    0.8517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9034   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7724    0.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -0.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3241    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6621    0.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8034   -0.7483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3828   -0.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  1  0  0  0  0
 17 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 20 23  2  0  0  0  0
 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
 27 28  1  0  0  0  0
  5  7  2  0  0  0  0
  8  9  2  0  0  0  0
 17 19  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <Mol_ID> (1,000)
1000

>  <Formula> (1,000)
C20H18N2O4S2

>  <MolWeight> (1,000)
414.49792

>  <COMPOUND_NAME> (1,000)
WAY-301963

>  <BAR_CODE_NO> (1,000)
3904511

$$$$
WAY-301981
csChFnd80/06171916322D

 18 19  0  0  0  0  0  0  0  0999 V2000
    0.5966   -0.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3069    0.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1172    0.0655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5931   -1.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0276   -0.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2966    0.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8310   -0.3483    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3069   -1.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0241   -1.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0103    1.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5448    0.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2379   -0.9379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4103   -0.9379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0034    2.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5483    0.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3276   -0.1931    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3345    1.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8138    0.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  2  0  0  0  0
  7 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  2  0  0  0  0
 11 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
  8  9  2  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (1,001)
1001

>  <Formula> (1,001)
C12H13NO3S2

>  <MolWeight> (1,001)
283.36652

>  <COMPOUND_NAME> (1,001)
WAY-301981

>  <BAR_CODE_NO> (1,001)
3904532

$$$$
WAY-301992
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -0.9038    0.6589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2830    0.1214    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2830    1.2047    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9038    0.3214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9038    1.0047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0663   -0.5411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4038   -0.6786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2288    0.6797    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0337   -0.1786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0712   -0.5203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7545   -0.5203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2038   -1.2953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7545   -0.5203    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7545   -1.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7712    0.0589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0962    0.0589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0962   -1.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4830    0.0047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4830    1.3214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0962   -0.4953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0962    0.1047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7545    0.0797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0663    0.3422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0663    0.9797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  6  1  0  0  0  0
  8  1  1  0  0  0  0
  9  7  2  0  0  0  0
 10 14  1  0  0  0  0
 11 20  1  0  0  0  0
 12  7  1  0  0  0  0
 13 10  1  0  0  0  0
 14 17  2  0  0  0  0
 15 16  1  0  0  0  0
 16 11  2  0  0  0  0
 17 11  1  0  0  0  0
 18  4  1  0  0  0  0
 19  5  1  0  0  0  0
 20 22  1  0  0  0  0
 21  8  1  0  0  0  0
 22 21  1  0  0  0  0
 23 18  2  0  0  0  0
 24 19  2  0  0  0  0
  4  5  2  0  0  0  0
 23 24  1  0  0  0  0
 10 15  2  0  0  0  0
M  END
>  <Mol_ID> (1,002)
1002

>  <Formula> (1,002)
C17H15ClN2O3S

>  <MolWeight> (1,002)
362.8306

>  <COMPOUND_NAME> (1,002)
WAY-301992

>  <BAR_CODE_NO> (1,002)
3904547

$$$$
WAY-302005
csChFnd80/06171916322D

 24 25  0  0  0  0  0  0  0  0999 V2000
    0.2655    0.4966    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.4517    0.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9828    0.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2655    1.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1655    0.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4483   -0.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6931    0.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9862   -0.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9759    1.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4483    1.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8759    0.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1552   -1.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6897    1.3241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4103    0.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7034   -1.1414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2724   -1.1517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9759    2.5586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1655    2.1448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8759   -0.7483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5931    0.4966    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.7069   -1.9690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5862   -1.1586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4241   -2.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5828   -1.9828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  2  0  0  0  0
  9 17  1  0  0  0  0
 10 18  3  0  0  0  0
 11 19  2  0  0  0  0
 11 20  1  0  0  0  0
 15 21  1  0  0  0  0
 19 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
  9 13  1  0  0  0  0
 12 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,003)
1003

>  <Formula> (1,003)
C17H17BrN2O4

>  <MolWeight> (1,003)
393.23188

>  <COMPOUND_NAME> (1,003)
WAY-302005

>  <BAR_CODE_NO> (1,003)
3904563

$$$$
WAY-302006-A
csChFnd80/06171916322D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -2.1895    1.5795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8412    1.5795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8826    0.3968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8826    2.7692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1584    0.3864    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1412    2.7692    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2412    0.3864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2412    2.7692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2105    0.3864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9239    1.5795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9002   -0.7964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2929    1.5795    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2588   -0.7964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9416   -1.9722    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3002   -1.9722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2588   -3.1619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9830   -3.1619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9416   -4.3205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
  8 10  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,004)
1004

>  <Formula> (1,004)
C14H19ClN2O

>  <MolWeight> (1,004)
266.76646

>  <COMPOUND_NAME> (1,004)
WAY-302006-A

>  <BAR_CODE_NO> (1,004)
3904564

$$$$
WAY-302016-A
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
    1.1048    1.0780    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1841    2.0642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2358    0.6952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8841    0.5159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3738    2.5504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0186    2.5194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1324   -0.2565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7807   -0.4358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2841    3.4987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5090    2.1780    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9048   -0.8151    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6504    3.7159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1366    2.9056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8048   -1.7669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0711   -2.1565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8469   -1.5806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1814   -3.0910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7159   -1.9600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0538   -3.4703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8297   -2.9013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7124   -3.2875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 20 21  1  0  0  0  0
  8 11  1  0  0  0  0
 12 13  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,005)
1005

>  <Formula> (1,005)
C16H17ClN2O2

>  <MolWeight> (1,005)
304.77138

>  <COMPOUND_NAME> (1,005)
WAY-302016-A

>  <BAR_CODE_NO> (1,005)
3904576

$$$$
WAY-302018
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
    0.0000   -0.1175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4345    0.6273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4345   -0.8693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4345   -0.8693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4345    0.6273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3000    0.6273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000   -0.8693    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3000   -0.8693    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000    0.6273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7379   -0.1175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7379   -0.1175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6034   -0.1175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6034   -0.1175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0414    0.6273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0414   -0.8693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0414    0.6273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0414   -0.8693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9103    0.6273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6034    1.3790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9103   -0.8693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9103    0.6273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6034    1.3790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9103   -0.8693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3448   -0.1175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3448   -0.1175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
 13 16  1  0  0  0  0
 13 17  2  0  0  0  0
 14 18  2  0  0  0  0
 14 19  1  0  0  0  0
 15 20  1  0  0  0  0
 16 21  2  0  0  0  0
 16 22  1  0  0  0  0
 17 23  1  0  0  0  0
 18 24  1  0  0  0  0
 21 25  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 20 24  2  0  0  0  0
 23 25  2  0  0  0  0
M  END
>  <Mol_ID> (1,006)
1006

>  <Formula> (1,006)
C19H20O6

>  <MolWeight> (1,006)
344.3585

>  <COMPOUND_NAME> (1,006)
WAY-302018

>  <BAR_CODE_NO> (1,006)
3904578

$$$$
WAY-302027
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -0.3241   -0.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4828    0.4000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.1241    0.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3241   -0.9931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2759   -0.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4931    1.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9241   -0.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1241    1.3069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1241   -1.4483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4931   -1.4724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0552    0.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2759   -0.9931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3241    1.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3138    1.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9241   -0.9931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7069    0.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8552   -0.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0552   -1.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3172    2.6897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1138    2.2276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7241   -1.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5069   -0.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8552   -0.9931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5172   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6759   -1.4724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
  6 13  2  0  0  0  0
  6 14  1  0  0  0  0
  7 15  2  0  0  0  0
  7 16  1  0  0  0  0
 11 17  2  0  0  0  0
 12 18  1  0  0  0  0
 13 19  1  0  0  0  0
 14 20  3  0  0  0  0
 15 21  1  0  0  0  0
 16 22  2  0  0  0  0
 17 23  1  0  0  0  0
 21 24  2  0  0  0  0
 23 25  1  0  0  0  0
  8 13  1  0  0  0  0
  9 15  1  0  0  0  0
 18 23  2  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,007)
1007

>  <Formula> (1,007)
C19H12N2O4

>  <MolWeight> (1,007)
332.30958

>  <COMPOUND_NAME> (1,007)
WAY-302027

>  <BAR_CODE_NO> (1,007)
3904589

$$$$
WAY-302057
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -1.8655    0.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8655    1.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8345   -0.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9034   -0.2655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8345    1.9759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9034    1.9759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9138   -1.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8724    0.1655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0655    0.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9724    3.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8138    1.5138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0655    1.4138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9655   -1.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5931   -0.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9655   -0.1655    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0828    3.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6034    2.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8862    0.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8759   -0.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9345   -1.1655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7966    0.5345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9172   -1.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9759   -2.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8448   -1.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9655   -3.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8345   -1.5759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8966   -2.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 11 17  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  2  0  0  0  0
  9 12  2  0  0  0  0
 13 14  2  0  0  0  0
 16 17  2  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (1,008)
1008

>  <Formula> (1,008)
C19H14N4O3S

>  <MolWeight> (1,008)
378.40446

>  <COMPOUND_NAME> (1,008)
WAY-302057

>  <BAR_CODE_NO> (1,008)
3904628

$$$$
WAY-302075
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.5971    0.0966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1764    0.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3143    0.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3143   -0.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4557    0.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4557   -0.4034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2650    0.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2650   -0.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0246    0.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2246    1.1172    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5443    0.0966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1453    1.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6557    1.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1236    0.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4029   -0.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9857   -0.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1236   -0.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2650   -0.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4029   -1.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9857   -1.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
  8 11  1  0  0  0  0
 12 13  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,009)
1009

>  <Formula> (1,009)
C16H18N2OS

>  <MolWeight> (1,009)
286.39192

>  <COMPOUND_NAME> (1,009)
WAY-302075

>  <BAR_CODE_NO> (1,009)
3904651

$$$$
WAY-302078
csChFnd80/06171916322D

 20 23  0  0  0  0  0  0  0  0999 V2000
   -0.3666    0.1751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5334    0.2371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9045    0.9164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9045   -0.5629    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0541   -0.5491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9541    1.0371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7666    0.6371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7666   -0.2836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9679   -0.4836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8955    1.0992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5666    1.0992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5666   -0.7629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3955    0.3164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4541   -1.2525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3666    0.6371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3666   -0.2836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3161    0.3647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3679   -1.2146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1666   -0.7249    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8023   -0.4008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  2  0  0  0  0
  9 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  2  0  0  0  0
  7  8  2  0  0  0  0
 10 13  1  0  0  0  0
 15 16  1  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,010)
1010

>  <Formula> (1,010)
C17H12N2O

>  <MolWeight> (1,010)
260.28998

>  <COMPOUND_NAME> (1,010)
WAY-302078

>  <BAR_CODE_NO> (1,010)
3904656

$$$$
WAY-302093
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.8586   -1.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8586   -2.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1448   -0.7690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5759   -0.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5759   -2.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1448   -2.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5621   -0.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2862   -1.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5828    0.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2862   -2.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1448   -3.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5655   -2.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5552    0.4690    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2759   -0.7690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2759    0.8828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1621    0.8828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2655    1.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1621    1.7069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5517    2.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9759    2.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5414    2.9448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9655    2.9483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2517    3.3586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  2  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
  8 10  2  0  0  0  0
 18 19  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,011)
1011

>  <Formula> (1,011)
C19H21NO3

>  <MolWeight> (1,011)
311.37494

>  <COMPOUND_NAME> (1,011)
WAY-302093

>  <BAR_CODE_NO> (1,011)
3904675

$$$$
WAY-302120
csChFnd80/06171916322D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.1450   -0.0349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9347   -0.0452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3032    0.6168    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3032   -0.6659    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7140    0.6065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3347    0.6168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3036   -0.7142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0550    0.3755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0446    1.3651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0550   -0.4245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0446   -1.3935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1347    0.5962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1036   -0.7349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7446    0.7858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7446   -0.8245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5140   -0.0763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4446    0.3962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4446   -0.4452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  2  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 14  2  0  0  0  0
 10 15  2  0  0  0  0
 12 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
  8 10  1  0  0  0  0
 13 16  2  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (1,012)
1012

>  <Formula> (1,012)
C16H18N2

>  <MolWeight> (1,012)
238.32752

>  <COMPOUND_NAME> (1,012)
WAY-302120

>  <BAR_CODE_NO> (1,012)
3904707

$$$$
WAY-302124
csChFnd80/06171916322D

 15 16  0  0  0  0  0  0  0  0999 V2000
    0.4377    0.0619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0761   -0.4864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2067    0.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1619   -0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8174   -0.3416    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6998    1.3446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6722    0.4584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3174   -0.9140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4446    1.1757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0554   -0.9140    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0692   -1.6243    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9584    1.7412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2864   -1.6243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6968   -2.0519    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7377    2.4860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
  7  9  2  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,013)
1013

>  <Formula> (1,013)
C10H11N3OS

>  <MolWeight> (1,013)
221.27884

>  <COMPOUND_NAME> (1,013)
WAY-302124

>  <BAR_CODE_NO> (1,013)
3904714

$$$$
WAY-302130
csChFnd80/06171916322D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -0.6862   -0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1448   -0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9552    0.2754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9552   -0.6522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1241    0.2754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1241   -0.6522    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4862    0.2754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4862   -0.6522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6655    0.2754    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7552   -0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9345   -0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9345    0.7478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4759   -0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4759    0.7478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7345    0.2754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  7 10  2  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
  8 10  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (1,014)
1014

>  <Formula> (1,014)
C12H15NO2

>  <MolWeight> (1,014)
205.253

>  <COMPOUND_NAME> (1,014)
WAY-302130

>  <BAR_CODE_NO> (1,014)
3904720

$$$$
WAY-302150
csChFnd80/06171916322D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -2.3233   -0.2601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5060    1.1330    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9371   -0.2532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8302   -1.7946    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1060    0.3226    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6991    2.5330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8991    1.9502    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4336   -1.7843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1336   -2.7325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2905    1.1123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2767    0.5399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2698   -0.6015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2698    1.1054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2560   -1.1808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2560    0.5261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2491   -0.6153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
  8  9  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,015)
1015

>  <Formula> (1,015)
C11H11NO2S2

>  <MolWeight> (1,015)
253.34054

>  <COMPOUND_NAME> (1,015)
WAY-302150

>  <BAR_CODE_NO> (1,015)
3904750

$$$$
WAY-302159
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.3897    1.8679    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.6483    0.1369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1263   -0.1571    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1263   -0.7571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1263    1.5859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6483    0.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4197   -1.0421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1263    1.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9417    1.6069    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.4347    2.4619    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9417   -0.7571    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1853   -0.1811    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4197   -1.6421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6483   -1.0421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6483    1.8859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1853    0.9679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1853    1.5619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6483   -1.6421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4697   -1.0421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1263   -1.9391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9417   -1.9391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4697   -1.6421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  6  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  8  2  0  0  0  0
  7  4  1  0  0  0  0
  8  5  1  0  0  0  0
  9  1  1  0  0  0  0
 10  1  2  0  0  0  0
 11  7  2  0  0  0  0
 12  2  2  0  0  0  0
 13  7  1  0  0  0  0
  4 14  2  0  0  0  0
  5 15  2  0  0  0  0
 17 16  2  0  0  0  0
 17 15  1  0  0  0  0
 18 14  1  0  0  0  0
 19 11  1  0  0  0  0
 18 20  2  0  0  0  0
 13 21  2  0  0  0  0
 22 21  1  0  0  0  0
  6 16  1  0  0  0  0
 13 20  1  0  0  0  0
 22 19  2  0  0  0  0
M  END
>  <Mol_ID> (1,016)
1016

>  <Formula> (1,016)
C16H11N3O3

>  <MolWeight> (1,016)
293.27684

>  <COMPOUND_NAME> (1,016)
WAY-302159

>  <BAR_CODE_NO> (1,016)
3904759

$$$$
WAY-302161
csChFnd80/06171916322D

 18 19  0  0  0  0  0  0  0  0999 V2000
    1.9927   -0.2339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2686    0.1834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7065    0.1799    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9927   -1.0580    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5548   -0.2304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4272   -0.2339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7065   -1.4718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1590    0.1834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5548   -1.0580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4272   -1.0580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8728   -0.2304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5935    0.1834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5935    1.0178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3073   -0.2304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3073    1.4282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0245    0.1834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0245    1.0178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7487    1.4282    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  2  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
  7 10  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (1,017)
1017

>  <Formula> (1,017)
C12H10ClN3O2

>  <MolWeight> (1,017)
263.6797

>  <COMPOUND_NAME> (1,017)
WAY-302161

>  <BAR_CODE_NO> (1,017)
3904762

$$$$
WAY-302179
csChFnd80/06171916322D

 24 27  0  0  0  0  0  0  0  0999 V2000
    1.1861   -0.3135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1001    0.4244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3482   -1.7963    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5482    0.2934    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1001    1.9210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3967   -0.3135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8068   -2.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2137   -2.7825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5413   -0.8238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3967    2.6762    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1861    2.6589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6760    0.4244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3967   -1.7963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5171   -3.3894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0171   -0.8238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6587    1.9210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4896    1.8969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9622   -0.2894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0171   -3.3997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7551   -2.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9380    2.6589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2518    0.4382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2277    1.9451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5208    2.6762    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  2  0  0  0  0
  7 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  2  0  0  0  0
 14 19  2  0  0  0  0
 15 20  2  0  0  0  0
 16 21  2  0  0  0  0
 18 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
  7  9  2  0  0  0  0
 12 16  1  0  0  0  0
 19 20  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,018)
1018

>  <Formula> (1,018)
C19H16N2O3

>  <MolWeight> (1,018)
320.34194

>  <COMPOUND_NAME> (1,018)
WAY-302179

>  <BAR_CODE_NO> (1,018)
3904791

$$$$
WAY-302186
csChFnd80/06171916322D

 17 18  0  0  0  0  0  0  0  0999 V2000
    6.1468    2.7260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    2.6893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1468    1.2349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    1.2716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9577    3.3845    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.9577    0.5764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5428    3.3845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3268    3.4668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5617    4.2627    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5428    0.5764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3628    1.2349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3628    2.7260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4972    4.7840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2629    0.4392    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9945    4.7840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6585    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.0521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  2  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8  1  1  0  0  0  0
  9  8  3  0  0  0  0
 10  4  1  0  0  0  0
 11 12  1  0  0  0  0
 12  7  1  0  0  0  0
 13  7  2  0  0  0  0
 14  3  1  0  0  0  0
 15  5  1  0  0  0  0
 16 11  1  0  0  0  0
 17 11  1  0  0  0  0
  4  6  1  0  0  0  0
 11 10  1  0  0  0  0
M  END
>  <Mol_ID> (1,019)
1019

>  <Formula> (1,019)
C13H16N2O2

>  <MolWeight> (1,019)
232.27834

>  <COMPOUND_NAME> (1,019)
WAY-302186

>  <BAR_CODE_NO> (1,019)
3904798

$$$$
WAY-302216
csChFnd80/06171916322D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -0.3276    1.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000    1.2379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7414    1.9621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7379    0.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9138    0.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5655    1.9552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5621    0.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000   -0.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9793    1.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9862    2.6759    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.9138   -0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3276   -0.1966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8034    1.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7379   -0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000   -1.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1586   -1.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9138   -2.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7379   -2.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1517   -3.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6  9  2  0  0  0  0
  6 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  2  0  0  0  0
  9 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  2  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
  7  9  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (1,020)
1020

>  <Formula> (1,020)
C16H16ClNO

>  <MolWeight> (1,020)
273.75734

>  <COMPOUND_NAME> (1,020)
WAY-302216

>  <BAR_CODE_NO> (1,020)
3904836

$$$$
WAY-302234
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
    0.3966   -0.0483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3966   -0.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0414    0.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3172    0.1724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3172   -1.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0414   -1.1690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6828   -0.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0414    1.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7310   -0.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6828   -0.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0414    1.8207    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.2828    1.0724    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.7828    1.0724    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4897   -0.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3310   -1.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8517    0.2138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8517   -1.0690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9966   -0.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4310   -1.9207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6103    0.2138    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.4897    0.8517    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.5310   -1.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1621   -2.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9690    0.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0034   -0.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8517    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7517    0.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6103    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9897    2.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  6 10  2  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 16 21  1  0  0  0  0
 18 22  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  1  0  0  0  0
 20 25  1  0  0  0  0
 21 26  1  0  0  0  0
 21 27  1  0  0  0  0
 24 28  1  0  0  0  0
 28 29  1  0  0  0  0
  5  9  1  0  0  0  0
  7 10  1  0  0  0  0
 22 23  2  0  0  0  0
 26 28  1  0  0  0  0
M  END
>  <Mol_ID> (1,021)
1021

>  <Formula> (1,021)
C20H21F3N4O2

>  <MolWeight> (1,021)
406.4015496

>  <COMPOUND_NAME> (1,021)
WAY-302234

>  <BAR_CODE_NO> (1,021)
3904855

$$$$
WAY-302260
csChFnd80/06171916322D

 30 34  0  0  0  0  0  0  0  0999 V2000
   -1.3208   -1.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000   -0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4625   -2.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0458   -2.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000   -0.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4833   -0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1375   -1.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7625   -1.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458   -0.5292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7792   -1.7875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2167   -2.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0167   -1.5292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3375   -2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5375   -3.3292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4667   -0.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6500   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0625   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6208   -1.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042   -0.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0042   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0042   -2.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1667   -1.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9208   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2083   -1.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6667    0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8792   -2.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0542   -1.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8000    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4042   -2.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  2  2  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  1  0  0  0  0
  9  7  2  0  0  0  0
 10 11  1  0  0  0  0
 11 13  1  0  0  0  0
 12  7  1  0  0  0  0
 13 12  1  0  0  0  0
 14 11  2  0  0  0  0
 15 10  1  0  0  0  0
 16 10  1  0  0  0  0
 17  6  1  0  0  0  0
 18  8  1  0  0  0  0
 19 15  1  0  0  0  0
 20 15  2  0  0  0  0
 21 16  2  0  0  0  0
 22 16  1  0  0  0  0
 23 17  2  0  0  0  0
 24 18  2  0  0  0  0
 25 20  1  0  0  0  0
 26 21  1  0  0  0  0
 27 22  2  0  0  0  0
 28 19  2  0  0  0  0
 29 25  2  0  0  0  0
 30 27  1  0  0  0  0
  8  6  2  0  0  0  0
  5  9  1  0  0  0  0
 24 23  1  0  0  0  0
 26 30  2  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (1,022)
1022

>  <Formula> (1,022)
C23H17N5OS

>  <MolWeight> (1,022)
411.47898

>  <COMPOUND_NAME> (1,022)
WAY-302260

>  <BAR_CODE_NO> (1,022)
3904887

$$$$
WAY-302285
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.9586    0.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8828   -0.7414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7552    0.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3069    0.4793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1586   -1.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5931   -1.0931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1345   -0.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0931    0.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4069    0.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4931   -0.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6586    1.5448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8690    0.9552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2069   -0.9345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8828    1.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8586   -0.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4448   -1.6828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4414    2.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4931   -0.9207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8586    0.3310    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -2.2310   -1.6828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5586    0.6966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1793    0.7310    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  8 11  1  0  0  0  0
  8 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
  6  7  2  0  0  0  0
  9 10  1  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,023)
1023

>  <Formula> (1,023)
C12H10N6O4

>  <MolWeight> (1,023)
302.2456

>  <COMPOUND_NAME> (1,023)
WAY-302285

>  <BAR_CODE_NO> (1,023)
3904915

$$$$
WAY-302300
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    0.2069   -0.1793    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.2931   -0.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2069    0.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7069   -0.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2931   -1.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8345   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2931    0.6621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7069    0.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7069   -1.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2276   -0.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2069   -1.3172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8345   -1.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1517   -0.7483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0138    0.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2931    1.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7931    0.3897    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.7069    1.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2069    0.3897    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2276   -1.2897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7483    0.0621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5517    0.3897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2069    1.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7138    0.9310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7 15  2  0  0  0  0
  7 16  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 19  1  0  0  0  0
 10 20  3  0  0  0  0
 14 21  1  0  0  0  0
 15 22  1  0  0  0  0
 21 23  1  0  0  0  0
  9 11  1  0  0  0  0
 12 13  1  0  0  0  0
 17 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,024)
1024

>  <Formula> (1,024)
C15H12ClFN4O2

>  <MolWeight> (1,024)
334.7327832

>  <COMPOUND_NAME> (1,024)
WAY-302300

>  <BAR_CODE_NO> (1,024)
3904931

$$$$
WAY-302304
csChFnd80/06171916322D

 32 36  0  0  0  0  0  0  0  0999 V2000
   -0.0138   -0.1898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0138    0.2206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9103    0.2206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0138   -0.9380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6655   -0.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0138    0.9689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5621   -0.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9103    0.9689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6345   -1.3139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6655   -1.3139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3069    0.2206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6655   -0.9070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6655    1.3447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3655    1.3482    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2103    0.2206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5621   -0.9070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5621    1.3447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2621    1.3447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6345   -2.0656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6655   -2.0656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3069    0.9689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9517   -0.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2103    0.9689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8621   -0.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0138   -2.4380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2828   -2.4380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9517    1.3447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6034    0.2206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8621    1.3344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5103    0.2206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6034    0.9689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5103    0.9689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  2  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  2  0  0  0  0
  9 19  2  0  0  0  0
 10 20  1  0  0  0  0
 11 21  1  0  0  0  0
 11 22  2  0  0  0  0
 15 23  2  0  0  0  0
 15 24  1  0  0  0  0
 19 25  1  0  0  0  0
 19 26  1  0  0  0  0
 21 27  2  0  0  0  0
 22 28  1  0  0  0  0
 23 29  1  0  0  0  0
 24 30  2  0  0  0  0
 27 31  1  0  0  0  0
 29 32  2  0  0  0  0
 13 21  1  0  0  0  0
 17 23  1  0  0  0  0
 20 25  2  0  0  0  0
 28 31  2  0  0  0  0
 30 32  1  0  0  0  0
M  END
>  <Mol_ID> (1,025)
1025

>  <Formula> (1,025)
C25H16O7

>  <MolWeight> (1,025)
428.39034

>  <COMPOUND_NAME> (1,025)
WAY-302304

>  <BAR_CODE_NO> (1,025)
3904935

$$$$
WAY-302668
csChFnd80/06171916322D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.1276   -0.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3414    0.5241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2931   -0.6655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4586   -0.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4862    0.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0138    0.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0138   -0.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2172   -0.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2586    0.5828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8138    0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5034    0.9345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6069   -0.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0241   -0.5966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2414    0.8448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3483   -0.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7379   -0.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
  6  7  1  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <Mol_ID> (1,026)
1026

>  <Formula> (1,026)
C12H23NO3

>  <MolWeight> (1,026)
229.31592

>  <COMPOUND_NAME> (1,026)
WAY-302668

>  <BAR_CODE_NO> (1,026)
3905359

$$$$
WAY-302684
csChFnd80/06171916322D

 33 36  0  0  0  0  0  0  0  0999 V2000
   -1.4344   -0.1206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6723   -0.8827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6585   -0.1206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8620    0.5346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4448   -1.0964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0654   -1.3344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4103   -0.8964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1585    0.5449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6827    0.4622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5275    1.2829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6241   -1.8723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0413   -0.5620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3759   -1.1206    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3518    1.2242    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1482    1.1415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9930    1.9484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3723   -2.1206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8137   -0.8137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9587   -0.5620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7896    1.8656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9930   -1.5758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7208   -0.7516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7932    0.2105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690   -0.1827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0552   -0.3723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0415    0.5794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6001    0.2105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5897    1.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3621    0.9863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3759    0.0208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9242    1.5691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5759   -0.7516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6966    1.3794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  3  0  0  0  0
  9 15  1  0  0  0  0
 10 16  2  0  0  0  0
 11 17  1  0  0  0  0
 12 18  2  0  0  0  0
 13 19  1  0  0  0  0
 15 20  2  0  0  0  0
 17 21  2  0  0  0  0
 19 22  1  0  0  0  0
 19 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  2  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
 29 31  1  0  0  0  0
 30 32  1  0  0  0  0
 31 33  1  0  0  0  0
  6  7  1  0  0  0  0
 16 20  1  0  0  0  0
 18 21  1  0  0  0  0
 28 29  2  0  0  0  0
M  END
>  <Mol_ID> (1,027)
1027

>  <Formula> (1,027)
C27H22N2O4

>  <MolWeight> (1,027)
438.47458

>  <COMPOUND_NAME> (1,027)
WAY-302684

>  <BAR_CODE_NO> (1,027)
3905381

$$$$
WAY-302713-A
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -0.9690    0.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7966    0.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4966   -0.1828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4655    1.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2276   -0.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1897    1.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2966    0.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3172    0.8793    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0517   -0.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0172    1.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9552   -0.4517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4483    0.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4828   -0.8655    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.7207   -0.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0828   -1.5966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3103   -0.8517    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.3828   -0.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8276    0.6828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1414   -0.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5966    0.9966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2552    0.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7966   -0.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6862   -1.6483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5586   -0.5172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
 11 14  1  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 17  2  0  0  0  0
 14 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
  7  8  1  0  0  0  0
 10 12  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,028)
1028

>  <Formula> (1,028)
C16H11N3O4S

>  <MolWeight> (1,028)
341.34124

>  <COMPOUND_NAME> (1,028)
WAY-302713-A

>  <BAR_CODE_NO> (1,028)
3905422

$$$$
WAY-302714
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -2.1524   -0.3066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1524   -1.0687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5041    0.0796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9007   -0.0687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5041   -1.4342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9007   -1.2963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8524   -0.3066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3386   -0.6859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8524   -1.0687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2041    0.0658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4476   -0.3066    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2041    0.8141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0959    0.0658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0959    0.8141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7476   -0.3169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7476    1.1934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4476    1.1934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3959    0.0796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3959    0.8279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4476    1.9520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0476   -0.3066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6959    0.0796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (1,029)
1029

>  <Formula> (1,029)
C16H15NO5

>  <MolWeight> (1,029)
301.294

>  <COMPOUND_NAME> (1,029)
WAY-302714

>  <BAR_CODE_NO> (1,029)
3905423

$$$$
WAY-302718
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    0.1931    0.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4310   -0.1069    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.8103   -0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1931    0.9621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0517    0.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4276   -0.8207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4207    0.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8103   -0.8103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8103    1.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1310    0.9621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7069   -0.0448    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0414   -1.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4207    0.9621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0345   -0.1034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8069    2.0241    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.8379    1.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1897    0.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0379   -1.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6655   -0.8276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0310    1.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6483    0.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6552   -2.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6483    0.9621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6552   -2.9759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  2  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
 12 19  2  0  0  0  0
 13 20  2  0  0  0  0
 14 21  1  0  0  0  0
 18 22  1  0  0  0  0
 20 23  1  0  0  0  0
 22 24  1  0  0  0  0
  9 13  1  0  0  0  0
 16 17  2  0  0  0  0
 21 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,030)
1030

>  <Formula> (1,030)
C18H17ClN2O2S

>  <MolWeight> (1,030)
360.85778

>  <COMPOUND_NAME> (1,030)
WAY-302718

>  <BAR_CODE_NO> (1,030)
3905427

$$$$
WAY-302737
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.1920   -0.0128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1920   -0.7748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8550    0.3562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8550   -1.1528    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4470    0.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4790   -0.0128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4790   -0.7748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0890   -0.0098    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7250    0.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4560   -1.1438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7250    1.1122    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3760   -0.0038    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4470    1.1062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8550    1.1062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8850   -1.8938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1540    0.3562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1540   -1.1528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0300    1.1062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3820    1.4902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0270    0.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8020   -0.0128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8020   -0.7748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  1  3  2  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  6  2  0  0  0  0
  8  5  1  0  0  0  0
  9  8  1  0  0  0  0
 10  2  2  0  0  0  0
 11  9  2  0  0  0  0
 12  9  1  0  0  0  0
 13  5  2  0  0  0  0
 14  3  1  0  0  0  0
 15  4  1  0  0  0  0
 16  6  1  0  0  0  0
 17  7  1  0  0  0  0
 18 20  1  0  0  0  0
 19 11  1  0  0  0  0
 12 20  2  0  0  0  0
 16 21  2  0  0  0  0
 22 21  1  0  0  0  0
  4  7  1  0  0  0  0
 18 19  2  0  0  0  0
 22 17  2  0  0  0  0
M  END
>  <Mol_ID> (1,031)
1031

>  <Formula> (1,031)
C15H12N4O3

>  <MolWeight> (1,031)
296.28078

>  <COMPOUND_NAME> (1,031)
WAY-302737

>  <BAR_CODE_NO> (1,031)
3905450

$$$$
WAY-302740
csChFnd80/06171916322D

 30 34  0  0  0  0  0  0  0  0999 V2000
    0.4069    0.4931    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.3103    0.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1690    0.1759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4069    1.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4517   -0.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9517    0.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4069   -0.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8069    0.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2310    1.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1069    1.7759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0897   -1.3241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2310   -1.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7103    0.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8103    1.4552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9069   -1.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2276   -0.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5897    0.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6690    1.5345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0483    2.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8897    2.5759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8517   -0.4655    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2483   -2.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5690   -1.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2276    0.9552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6103   -0.7448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0483   -2.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7931   -1.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3103   -0.3241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6103   -1.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9310   -0.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  2  0  0  0  0
  7 15  2  0  0  0  0
  7 16  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  2  0  0  0  0
  9 19  1  0  0  0  0
 10 20  1  0  0  0  0
 12 21  1  0  0  0  0
 15 22  1  0  0  0  0
 16 23  2  0  0  0  0
 17 24  1  0  0  0  0
 21 25  1  0  0  0  0
 22 26  2  0  0  0  0
 25 27  2  0  0  0  0
 25 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
 11 15  1  0  0  0  0
 13 21  1  0  0  0  0
 19 20  2  0  0  0  0
 23 26  1  0  0  0  0
 29 30  2  0  0  0  0
M  END
>  <Mol_ID> (1,032)
1032

>  <Formula> (1,032)
C24H22N2O4

>  <MolWeight> (1,032)
402.44248

>  <COMPOUND_NAME> (1,032)
WAY-302740

>  <BAR_CODE_NO> (1,032)
3905457

$$$$
WAY-302750
csChFnd80/06171916322D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.1586   -0.1067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1586   -0.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0724    0.0519    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3897    0.0519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4069   -0.5377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0931   -0.5377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0172    0.3209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3000    0.3209    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4069   -0.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0931   -0.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1517    0.5519    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1586   -0.9688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0310    0.8105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4310    0.5209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1586   -1.2481    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000    1.0416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6000    0.7519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4828    1.0105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  9 12  2  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
  7  8  1  0  0  0  0
 10 12  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,033)
1033

>  <Formula> (1,033)
C13H13FN2OS

>  <MolWeight> (1,033)
264.3185232

>  <COMPOUND_NAME> (1,033)
WAY-302750

>  <BAR_CODE_NO> (1,033)
3905468

$$$$
WAY-302764
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -0.2310    0.2207    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.7724   -0.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7379    0.3793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7241    1.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4310   -1.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7621   -0.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4759   -0.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0069    1.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7138    1.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2138    1.8828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5379   -1.8793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0310   -2.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3517   -1.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9931    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3966   -1.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3862    0.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0069    1.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3276    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2034    1.9310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7034    2.7724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0414   -2.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2379   -1.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2069   -0.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6966    0.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3172    2.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6931    2.7724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9241   -1.8276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6828   -2.9690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1276   -1.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  2  0  0  0  0
  7 15  2  0  0  0  0
  7 16  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  2  0  0  0  0
  9 19  1  0  0  0  0
 10 20  2  0  0  0  0
 12 21  1  0  0  0  0
 15 22  1  0  0  0  0
 16 23  2  0  0  0  0
 17 24  1  0  0  0  0
 17 25  1  0  0  0  0
 19 26  2  0  0  0  0
 21 27  1  0  0  0  0
 21 28  1  0  0  0  0
 22 29  2  0  0  0  0
 11 15  1  0  0  0  0
 13 21  1  0  0  0  0
 20 26  1  0  0  0  0
 23 29  1  0  0  0  0
M  END
>  <Mol_ID> (1,034)
1034

>  <Formula> (1,034)
C24H27N3O2

>  <MolWeight> (1,034)
389.49008

>  <COMPOUND_NAME> (1,034)
WAY-302764

>  <BAR_CODE_NO> (1,034)
3905485

$$$$
WAY-302777
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -0.4793    0.1586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1759   -0.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2724   -0.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5103    0.9621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1483   -0.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0793    0.2621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9724    0.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000    1.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8759   -1.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4793   -1.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9241    1.0138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8483   -2.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4759   -2.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6517    1.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1621   -2.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6517    2.3586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4724    0.9621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1793   -3.3862    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.8759    2.9345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    2.9103    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4793   -3.8138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9000   -3.7897    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.2207    3.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1517    3.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  7 11  1  0  0  0  0
  9 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  2  0  0  0  0
 16 20  1  0  0  0  0
 18 21  2  0  0  0  0
 18 22  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  1  0  0  0  0
  8 11  1  0  0  0  0
 13 15  2  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (1,035)
1035

>  <Formula> (1,035)
C16H15N3O4S

>  <MolWeight> (1,035)
345.373

>  <COMPOUND_NAME> (1,035)
WAY-302777

>  <BAR_CODE_NO> (1,035)
3905499

$$$$
WAY-302805
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -0.0034    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0034   -0.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6586    1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7310    0.9414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6586   -0.4483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7310   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3172    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6586    1.8621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1517    0.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3172   -0.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4172    1.8621    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1034    1.8621    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.6586    2.6207    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9241    0.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9690   -0.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2828   -0.3793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2828    0.9724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9690   -1.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6276   -0.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0517   -0.3793    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.9241   -1.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6276   -1.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2862   -0.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4138   -1.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4517    0.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2828   -1.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2862   -1.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0517   -1.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9483   -1.5379    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  1  0  0  0  0
 15 19  2  0  0  0  0
 16 20  1  0  0  0  0
 16 21  1  0  0  0  0
 18 22  2  0  0  0  0
 19 23  1  0  0  0  0
 20 24  1  0  0  0  0
 20 25  1  0  0  0  0
 21 26  1  0  0  0  0
 22 27  1  0  0  0  0
 24 28  1  0  0  0  0
 27 29  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
 23 27  2  0  0  0  0
 26 28  1  0  0  0  0
M  END
>  <Mol_ID> (1,036)
1036

>  <Formula> (1,036)
C20H18ClF3N4O

>  <MolWeight> (1,036)
422.8313296

>  <COMPOUND_NAME> (1,036)
WAY-302805

>  <BAR_CODE_NO> (1,036)
3905539

$$$$
WAY-302815
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -0.4862    0.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1345    0.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1724   -0.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0724   -0.4552    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5483    0.4621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3862    1.2828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000   -0.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5931   -0.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0931    0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2828   -0.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4828   -1.2172    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1655   -0.6000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7276    0.6621    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.5586   -1.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5862    0.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1000   -1.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2483    1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9931    0.0448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8276    0.7448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6655    0.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
  5  8  1  0  0  0  0
 14 16  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,037)
1037

>  <Formula> (1,037)
C14H15NO2S3

>  <MolWeight> (1,037)
325.4694

>  <COMPOUND_NAME> (1,037)
WAY-302815

>  <BAR_CODE_NO> (1,037)
3905549

$$$$
WAY-302845
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -2.1310   -0.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4517   -0.7138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1276    0.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8276   -0.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7793   -0.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4552   -1.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4276    0.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8069    0.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8379   -1.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5069   -0.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7759    0.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1138   -0.7138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4138    1.6483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4931    0.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0517    0.8655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6621    0.4345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0310    1.6966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3862    0.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0897    0.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0724   -0.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8103    0.8103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7828   -0.8379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5138    0.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5034   -0.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2103   -0.8655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1931   -1.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 14  2  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
  6  9  1  0  0  0  0
  7 11  2  0  0  0  0
 10 14  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,038)
1038

>  <Formula> (1,038)
C20H18N2O4

>  <MolWeight> (1,038)
350.36792

>  <COMPOUND_NAME> (1,038)
WAY-302845

>  <BAR_CODE_NO> (1,038)
3905580

$$$$
WAY-302846
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
    7.1325   -5.3465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1325   -6.6085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0065   -7.2490    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0065   -4.7055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9125   -5.3465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9125   -6.6085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2395   -4.7055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5920   -8.5050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3465   -5.3465    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2395   -7.2620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7735   -5.3590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8250   -7.2490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7865   -6.6410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2525   -3.4370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2525   -8.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0065   -3.4370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6665   -4.7185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6665   -7.2815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8320   -4.7055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5730   -5.3590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4530   -4.7185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5600   -6.6410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8930   -4.7185    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8930   -7.2815    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7380   -5.3465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7380   -6.6085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -5.3465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.6410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  1  1  0  0  0  0
  8  3  1  0  0  0  0
  9  7  1  0  0  0  0
 10  2  2  0  0  0  0
 11 17  2  0  0  0  0
 12  6  1  0  0  0  0
 13 18  2  0  0  0  0
 14  7  2  0  0  0  0
 15  8  1  0  0  0  0
 16  4  1  0  0  0  0
 17 20  1  0  0  0  0
 18 22  1  0  0  0  0
 19  5  1  0  0  0  0
 20 21  1  0  0  0  0
 21  9  1  0  0  0  0
 22 20  2  0  0  0  0
 23 11  1  0  0  0  0
 24 13  1  0  0  0  0
 25 19  2  0  0  0  0
 26 25  1  0  0  0  0
 27 23  1  0  0  0  0
 28 24  1  0  0  0  0
  3  6  1  0  0  0  0
 12 15  1  0  0  0  0
 12 26  2  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <Mol_ID> (1,039)
1039

>  <Formula> (1,039)
C21H20N2O5

>  <MolWeight> (1,039)
380.3939

>  <COMPOUND_NAME> (1,039)
WAY-302846

>  <BAR_CODE_NO> (1,039)
3905581

$$$$
WAY-302847
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
    7.9665   -5.5390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9665   -6.8465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8065   -7.5105    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8065   -4.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6595   -5.5390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6595   -6.8465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1200   -4.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3640   -8.8115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2665   -5.5390    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1200   -7.5240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5330   -7.5105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1200   -3.5610    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9755   -8.8380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8065   -3.5610    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5465   -4.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4135   -4.8885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5600   -5.5525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8535   -6.8870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5530   -6.8800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7065   -4.8885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8535   -5.5525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7000   -7.5440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4065   -5.5390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4065   -6.8465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.5505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  1  1  0  0  0  0
  8  3  1  0  0  0  0
  9  7  1  0  0  0  0
 10  2  2  0  0  0  0
 11  6  1  0  0  0  0
 12  7  2  0  0  0  0
 13  8  1  0  0  0  0
 14  4  1  0  0  0  0
 15  5  1  0  0  0  0
 16  9  1  0  0  0  0
 17 16  1  0  0  0  0
 18 21  1  0  0  0  0
 19 17  2  0  0  0  0
 20 17  1  0  0  0  0
 21 20  2  0  0  0  0
 22 19  1  0  0  0  0
 23 15  2  0  0  0  0
 24 23  1  0  0  0  0
 25 18  1  0  0  0  0
  3  6  1  0  0  0  0
 11 13  1  0  0  0  0
 24 11  2  0  0  0  0
 22 18  2  0  0  0  0
M  END
>  <Mol_ID> (1,040)
1040

>  <Formula> (1,040)
C20H18N2O3

>  <MolWeight> (1,040)
334.36852

>  <COMPOUND_NAME> (1,040)
WAY-302847

>  <BAR_CODE_NO> (1,040)
3905582

$$$$
WAY-302848
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
    3.6798    4.2336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6798    2.8204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1017    4.2336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4656    4.9309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8937    4.9309    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.1017    2.8204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8937    2.1230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4656    2.1230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2639    4.2336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2639    2.8204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3156    4.9309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5111    5.6158    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8937    6.3256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4656    6.3256    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3156    2.1230    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1017    7.0230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6798    7.0230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8937    9.1213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6798    8.4237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1017    8.4237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8937   10.5158    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4593    0.7036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0187    2.1230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2329    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  5  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  2  0  0  0  0
  7  2  1  0  0  0  0
  8  2  1  0  0  0  0
  9  4  1  0  0  0  0
 10  9  1  0  0  0  0
 11  3  1  0  0  0  0
 12 11  3  0  0  0  0
 13  5  1  0  0  0  0
 14  4  2  0  0  0  0
 15  6  1  0  0  0  0
 16 13  1  0  0  0  0
 17 13  2  0  0  0  0
 18 19  2  0  0  0  0
 19 17  1  0  0  0  0
 20 16  2  0  0  0  0
 21 18  1  0  0  0  0
 22  8  1  0  0  0  0
 23 10  1  0  0  0  0
 24 22  2  0  0  0  0
 25 23  2  0  0  0  0
  7  6  1  0  0  0  0
  8 10  2  0  0  0  0
 20 18  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,041)
1041

>  <Formula> (1,041)
C19H11ClN2O3

>  <MolWeight> (1,041)
350.75524

>  <COMPOUND_NAME> (1,041)
WAY-302848

>  <BAR_CODE_NO> (1,041)
3905583

$$$$
WAY-302870
csChFnd80/06171916322D

 28 30  0  0  0  0  0  0  0  0999 V2000
    0.5586    2.2655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2379    2.6483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5586    1.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0828    2.6483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9069    2.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2379    3.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0828    1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7621    2.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5655    2.6483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9172    1.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.9069    3.8172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7621    1.4655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5655    3.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4828    1.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4828    0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7345   -0.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7414   -1.0931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0069    0.2069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7345   -1.9345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4345   -2.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0138   -2.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4517   -3.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0138   -3.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7345   -3.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2345   -3.5345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6172   -3.5828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6931   -2.9724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3655   -4.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  9 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
 22 25  1  0  0  0  0
 23 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
  8 12  1  0  0  0  0
 11 13  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,042)
1042

>  <Formula> (1,042)
C21H26FN3O3

>  <MolWeight> (1,042)
387.4478432

>  <COMPOUND_NAME> (1,042)
WAY-302870

>  <BAR_CODE_NO> (1,042)
3905609

$$$$
WAY-302879
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.6842    0.7072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6290    0.1520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6842    1.7969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2641    0.1520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6290   -0.9618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5980    0.7348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2641    2.3555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6290    2.3555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2641   -0.9618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6842   -1.4997    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5980   -1.5204    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5670    1.2865    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2641    3.4486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6290    3.4486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2089   -1.4997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6842    4.0072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2089   -2.6100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1572   -0.9618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1572   -3.1411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0951   -1.4997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0951   -2.6100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0365   -3.1790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  3  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
  9 10  2  0  0  0  0
 14 16  2  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (1,043)
1043

>  <Formula> (1,043)
C19H15N3

>  <MolWeight> (1,043)
285.3425

>  <COMPOUND_NAME> (1,043)
WAY-302879

>  <BAR_CODE_NO> (1,043)
3905618

$$$$
WAY-302888
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -0.1690   -0.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1828   -0.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1379   -1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5310    0.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4931   -1.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8828    0.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6931   -1.6724    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1379   -1.3207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5310    0.4138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2310    1.6276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4931   -1.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8690    0.4138    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.8069   -0.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2172    1.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1828   -0.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5483    1.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000   -0.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.2172    0.9310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9069    1.6759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  2  0  0  0  0
 14 18  1  0  0  0  0
 18 19  2  0  0  0  0
  5  7  1  0  0  0  0
  9 13  1  0  0  0  0
 12 15  1  0  0  0  0
M  END
>  <Mol_ID> (1,044)
1044

>  <Formula> (1,044)
C14H16N2OS2

>  <MolWeight> (1,044)
292.41964

>  <COMPOUND_NAME> (1,044)
WAY-302888

>  <BAR_CODE_NO> (1,044)
3905630

$$$$
WAY-302914
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
    0.2034    0.3172    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.8276   -0.0897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4966    0.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1552    1.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7897   -0.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4931    0.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9690    0.6345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6931   -0.6690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5621    1.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4172   -1.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1276   -0.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7172    0.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8310    1.9586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0828   -0.9069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1241    1.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7138   -1.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8724    1.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6690   -2.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3828   -0.9793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2172    0.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2828    1.8172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3034   -2.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0069   -1.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9690    0.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0310    1.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9690   -2.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3724    1.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  9 13  2  0  0  0  0
 10 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  2  0  0  0  0
 17 20  2  0  0  0  0
 17 21  1  0  0  0  0
 18 22  2  0  0  0  0
 19 23  1  0  0  0  0
 20 24  1  0  0  0  0
 21 25  2  0  0  0  0
 22 26  1  0  0  0  0
 24 27  2  0  0  0  0
  7  9  1  0  0  0  0
 11 14  1  0  0  0  0
 23 26  2  0  0  0  0
 25 27  1  0  0  0  0
M  END
>  <Mol_ID> (1,045)
1045

>  <Formula> (1,045)
C22H25N3O2

>  <MolWeight> (1,045)
363.4528

>  <COMPOUND_NAME> (1,045)
WAY-302914

>  <BAR_CODE_NO> (1,045)
3905662

$$$$
WAY-302934
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -0.7621   -0.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0862   -0.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4276   -0.0172    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7621   -1.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5828   -0.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1000    0.3724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8172   -0.6828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0379    0.6552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0862   -1.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2517   -0.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5828   -1.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7655   -0.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1000    1.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9207   -0.4069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2517    0.7552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2517   -1.5793    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.4379    0.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7655    1.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5862   -0.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4379    1.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6517    0.7345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3138   -0.3345    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.3862    0.9172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8138    0.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 13 18  1  0  0  0  0
 14 19  1  0  0  0  0
 17 20  1  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
  9 11  2  0  0  0  0
 18 20  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (1,046)
1046

>  <Formula> (1,046)
C15H16ClN3O3S2

>  <MolWeight> (1,046)
385.88884

>  <COMPOUND_NAME> (1,046)
WAY-302934

>  <BAR_CODE_NO> (1,046)
3905691

$$$$
WAY-302968
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.1942    0.4277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2942    1.2902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1484    1.4735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9942    0.0735    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5942    0.7110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5891    0.0110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4692    0.7110    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5942    2.2277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6058   -0.8723    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3891   -1.3098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3891   -2.1723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4692    2.2277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9109    1.4735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3516    0.4735    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3891    1.8485    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1516   -2.6098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1484    3.0110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1516   -0.8723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9058   -1.3098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6308   -2.6265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9058   -2.1723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7942    1.4735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1516   -3.4890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  5  1  0  0  0  0
  8  3  1  0  0  0  0
  9  6  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12  8  2  0  0  0  0
 13  7  2  0  0  0  0
 14  6  2  0  0  0  0
 15  2  1  0  0  0  0
 16 11  1  0  0  0  0
 17  8  1  0  0  0  0
 18 10  1  0  0  0  0
 19 18  2  0  0  0  0
 20 11  1  0  0  0  0
 21 19  1  0  0  0  0
 22 13  1  0  0  0  0
 23 16  1  0  0  0  0
  3  5  2  0  0  0  0
 12 13  1  0  0  0  0
 16 21  2  0  0  0  0
M  END
>  <Mol_ID> (1,047)
1047

>  <Formula> (1,047)
C18H19N3OS

>  <MolWeight> (1,047)
325.42796

>  <COMPOUND_NAME> (1,047)
WAY-302968

>  <BAR_CODE_NO> (1,047)
3905737

$$$$
WAY-302969
csChFnd80/06171916322D

 28 30  0  0  0  0  0  0  0  0999 V2000
   -0.9310    0.3517    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.8310    0.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9310   -0.6862    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0310    0.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8310    1.9138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7310    0.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9310   -1.7276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1069   -0.6862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9724   -0.6862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8690    0.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7310    2.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6310    0.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8310   -2.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0310   -2.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7690    0.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8690   -0.6862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6310    1.9138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8310   -3.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0310   -3.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7690    1.9138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6690    0.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9310   -3.8069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6690    2.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5690    0.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9310   -4.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5690    1.9138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4690    2.4345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4690    3.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  3  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  2  0  0  0  0
  7 14  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  2  0  0  0  0
 11 17  1  0  0  0  0
 13 18  1  0  0  0  0
 14 19  2  0  0  0  0
 15 20  2  0  0  0  0
 15 21  1  0  0  0  0
 18 22  2  0  0  0  0
 20 23  1  0  0  0  0
 21 24  2  0  0  0  0
 22 25  1  0  0  0  0
 23 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 12 17  2  0  0  0  0
 19 22  1  0  0  0  0
 24 26  1  0  0  0  0
M  END
>  <Mol_ID> (1,048)
1048

>  <Formula> (1,048)
C23H22O4S

>  <MolWeight> (1,048)
394.48338

>  <COMPOUND_NAME> (1,048)
WAY-302969

>  <BAR_CODE_NO> (1,048)
3905738

$$$$
WAY-302973
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -1.7759    0.6828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6241    0.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0655    0.1414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5034    1.4931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2138    1.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8966   -0.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3552    0.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0655   -0.7276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6241    1.4931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0759    0.9517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9448    1.9828    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.7552   -0.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5034    0.4828    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3655    0.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7966   -0.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6655   -0.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2552    0.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9552   -1.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1241   -0.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8241   -1.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4241   -0.8793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2966   -1.0379    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.8345   -0.3586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5862   -1.8793    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
 10 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
  7  9  2  0  0  0  0
 12 14  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (1,049)
1049

>  <Formula> (1,049)
C16H13BrN4O2S

>  <MolWeight> (1,049)
405.26902

>  <COMPOUND_NAME> (1,049)
WAY-302973

>  <BAR_CODE_NO> (1,049)
3905744

$$$$
WAY-302979
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -2.6172   -1.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4172   -1.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6759   -1.2862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7172   -0.1069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2759   -1.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3172   -2.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1966   -0.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2759   -2.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8345    0.2759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0759   -1.8069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3552   -0.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1172   -3.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2172   -0.4448    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9759   -2.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2655    0.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2241    0.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7034    1.2552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7241   -0.4448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6828    1.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1655    2.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1655    0.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1241    2.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1241    0.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6034    1.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6034    2.9345    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.1034    3.7448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5655    2.9345    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
 10 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
 22 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
  7  9  2  0  0  0  0
 12 14  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,050)
1050

>  <Formula> (1,050)
C18H17N5O3S

>  <MolWeight> (1,050)
383.42428

>  <COMPOUND_NAME> (1,050)
WAY-302979

>  <BAR_CODE_NO> (1,050)
3905751

$$$$
WAY-302981
csChFnd80/06171916322D

 21 22  0  0  0  0  0  0  0  0999 V2000
    0.4276   -0.0931    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.3448    0.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0966    0.3966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6931   -0.8793    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4862    1.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9724   -0.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7655   -0.0931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0966    1.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5172   -0.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2552    1.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7448   -0.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8103    1.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3828    1.6345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0034   -1.5379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8897    0.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6724   -2.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6655    1.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1621   -2.9586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8552   -2.3862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8103    1.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2966    0.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  8 12  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  1  0  0  0  0
 10 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  2  0  0  0  0
 17 20  1  0  0  0  0
 17 21  1  0  0  0  0
  7  9  2  0  0  0  0
 11 15  1  0  0  0  0
M  END
>  <Mol_ID> (1,051)
1051

>  <Formula> (1,051)
C15H19N3O2S

>  <MolWeight> (1,051)
305.39526

>  <COMPOUND_NAME> (1,051)
WAY-302981

>  <BAR_CODE_NO> (1,051)
3905754

$$$$
WAY-302990
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
    1.7000    0.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3483   -1.1310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4069    0.2207    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2724    1.1897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7000   -2.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6690   -1.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000    1.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3241    2.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3690   -3.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3207   -2.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9793    2.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4483    3.4207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6690   -3.3793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1000    1.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2517    1.9310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0000    0.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3414    1.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0931   -0.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2759   -0.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3793   -0.7966    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  2  0  0  0  0
  9 13  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 19 20  1  0  0  0  0
  7  8  1  0  0  0  0
 10 13  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,052)
1052

>  <Formula> (1,052)
C14H13BrN2O2S

>  <MolWeight> (1,052)
353.23422

>  <COMPOUND_NAME> (1,052)
WAY-302990

>  <BAR_CODE_NO> (1,052)
3905764

$$$$
WAY-302997
csChFnd80/06171916322D

 30 34  0  0  0  0  0  0  0  0999 V2000
   -2.0897    1.6345    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.0862    0.8034    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.8000    2.0483    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.2966    1.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8000    0.3966    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.2897    0.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5897    1.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5103    1.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8103    1.2483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0207    2.6862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5103    0.8103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0379   -0.2655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3862    1.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8138    0.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7793    1.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4138   -0.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6379    0.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    1.9897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8483   -0.8897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4103   -0.2034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0379    1.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4517   -1.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8621   -2.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6793   -2.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4483   -3.0414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0862   -3.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0862   -1.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9034   -3.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9034   -1.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3138   -2.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  9 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 16 20  2  0  0  0  0
 17 21  2  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  2  0  0  0  0
 24 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  2  0  0  0  0
 28 30  2  0  0  0  0
  5  7  1  0  0  0  0
  6  9  1  0  0  0  0
  8 11  1  0  0  0  0
 18 21  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (1,053)
1053

>  <Formula> (1,053)
C24H21NO5

>  <MolWeight> (1,053)
403.42724

>  <COMPOUND_NAME> (1,053)
WAY-302997

>  <BAR_CODE_NO> (1,053)
3905771

$$$$
WAY-303009
csChFnd80/06171916322D

 14 15  0  0  0  0  0  0  0  0999 V2000
    0.3412    0.1101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0002   -0.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4481    0.4412    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6101   -0.1106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0795   -0.3381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2692    0.2619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8101    0.4412    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9101    0.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4312   -0.4485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6002    0.1515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2412   -0.0278    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6795   -0.2003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0209   -0.3106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2795   -0.0693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  8 11  1  0  0  0  0
  9 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  7  8  2  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <Mol_ID> (1,054)
1054

>  <Formula> (1,054)
C9H8N2O2S

>  <MolWeight> (1,054)
208.23702

>  <COMPOUND_NAME> (1,054)
WAY-303009

>  <BAR_CODE_NO> (1,054)
3905784

$$$$
WAY-303013
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -0.4928   -1.3872    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8021   -2.1442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4846    0.1128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7970   -0.6246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9219   -1.8429    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9087    0.5841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8185    0.8557    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1052   -1.4013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1134    0.0987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7939   -3.6442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2969   -0.6164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0398    0.6867    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4165    0.8416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0145    0.8274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7114    0.0845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0540   -1.9113    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0227    2.3274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4247    2.3415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2407   -4.0403    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6996   -3.5053    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.5254   -5.1200    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.7278    3.0844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5256    3.2930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3095    0.0703    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.3258    3.0703    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -6.5398    0.6949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2828    1.9817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0257    3.2848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2827    1.9980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  5  4  2  0  0  0  0
  5  1  1  0  0  0  0
  6  3  2  0  0  0  0
  7  3  1  0  0  0  0
  8  2  2  0  0  0  0
  7  9  2  0  0  0  0
 10  2  1  0  0  0  0
 11  4  1  0  0  0  0
 12 11  1  0  0  0  0
 13  9  1  0  0  0  0
 14 15  1  0  0  0  0
 15 13  2  0  0  0  0
 16 11  2  0  0  0  0
 17 22  1  0  0  0  0
 18 13  1  0  0  0  0
 19 10  1  0  0  0  0
 20 10  1  0  0  0  0
 21 10  1  0  0  0  0
 18 22  2  0  0  0  0
 23 28  1  0  0  0  0
 24 14  1  0  0  0  0
 25 17  1  0  0  0  0
 26 12  1  0  0  0  0
 27 12  1  0  0  0  0
 28 27  1  0  0  0  0
 29 26  1  0  0  0  0
  4  6  1  0  0  0  0
  8  9  1  0  0  0  0
 23 29  1  0  0  0  0
 17 14  2  0  0  0  0
M  END
>  <Mol_ID> (1,055)
1055

>  <Formula> (1,055)
C18H13Cl2F3N4O2

>  <MolWeight> (1,055)
445.2226296

>  <COMPOUND_NAME> (1,055)
WAY-303013

>  <BAR_CODE_NO> (1,055)
3905789

$$$$
WAY-303049
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -1.1035    1.3796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3173    1.7796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0691    2.1279    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7070    0.1589    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5794    3.0348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2760    0.9279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9620    1.3796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5689    0.1589    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7932    3.4244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4898    1.3313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1758    1.7796    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7449    2.5727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1309    0.9279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9587    2.9693    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0896   -0.4514    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5585    1.1175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2208    4.2279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9551   -1.6859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9620   -2.4169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8033   -2.1825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8137   -3.6721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6620   -3.4169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6654   -4.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5275   -5.4100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3861   -5.8997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
  7  8  2  0  0  0  0
 10 12  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,056)
1056

>  <Formula> (1,056)
C17H16N4O3S

>  <MolWeight> (1,056)
356.39894

>  <COMPOUND_NAME> (1,056)
WAY-303049

>  <BAR_CODE_NO> (1,056)
3905828

$$$$
WAY-303052
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
    4.9953    1.9322    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1581    2.4665    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.2139    1.4382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3951    3.6888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0355    3.3265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5524    2.5141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7876    1.1290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2770    3.7328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5251    1.7035    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4829    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5643    1.1290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5524    4.9514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6713    3.7328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.9203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7958    5.0355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1043    4.3201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3879    3.0977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3559    0.9442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1308    3.7328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0933    1.5662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3904    4.9514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3904    2.5141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8077    6.0273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4573    5.6705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7902    4.9514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7902    2.5141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5093    3.7328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  6  1  0  0  0  0
  9  7  1  0  0  0  0
 10  3  2  0  0  0  0
 11  2  1  0  0  0  0
 12  8  2  0  0  0  0
 13  8  1  0  0  0  0
 14 20  1  0  0  0  0
 15  4  1  0  0  0  0
 16  5  1  0  0  0  0
 17  9  1  0  0  0  0
 18  9  1  0  0  0  0
 19 17  1  0  0  0  0
 20 18  1  0  0  0  0
 21 13  1  0  0  0  0
 22 13  2  0  0  0  0
 23 24  1  0  0  0  0
 24 16  2  0  0  0  0
 25 21  2  0  0  0  0
 26 22  1  0  0  0  0
 27 26  2  0  0  0  0
  4  2  1  0  0  0  0
 19 14  1  0  0  0  0
 23 15  2  0  0  0  0
 27 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,057)
1057

>  <Formula> (1,057)
C21H22N2O4

>  <MolWeight> (1,057)
366.41038

>  <COMPOUND_NAME> (1,057)
WAY-303052

>  <BAR_CODE_NO> (1,057)
3905831

$$$$
WAY-303146
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
    0.3586    1.0069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3586   -0.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6241    1.5586    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.2966    1.0069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6241   -0.6414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3276   -0.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5931    1.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6241    2.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2966   -0.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5931   -0.1034    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.5759    2.7586    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8138    2.7586    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6241    3.9276    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3379   -0.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6241   -0.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3483   -0.0931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3379   -1.8517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6241   -1.8828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6414   -0.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3483   -0.6621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7034   -2.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7034   -0.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3069   -1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3690   -0.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7138   -1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7621   -2.4034    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  1  0  0  0  0
 15 19  2  0  0  0  0
 16 20  1  0  0  0  0
 18 21  2  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
 25 26  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
 22 25  2  0  0  0  0
M  END
>  <Mol_ID> (1,058)
1058

>  <Formula> (1,058)
C17H18BrF3N4O

>  <MolWeight> (1,058)
431.2502296

>  <COMPOUND_NAME> (1,058)
WAY-303146

>  <BAR_CODE_NO> (1,058)
3905942

$$$$
WAY-303153
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.4000    0.0345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2414    0.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7586   -0.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7586    0.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5241   -0.5483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5793    0.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3586   -0.3138    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.5586   -1.0793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3586    0.3345    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.5586    1.1207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1621   -0.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000    0.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9207   -0.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9207    0.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5241   -0.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4586   -0.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4586    0.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1621   -0.0276    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1621    0.6069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8000   -0.0276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1621   -0.6655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  9 14  1  0  0  0  0
 11 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 18 21  2  0  0  0  0
  7  9  1  0  0  0  0
 12 15  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (1,059)
1059

>  <Formula> (1,059)
C14H14N2O4S

>  <MolWeight> (1,059)
306.33696

>  <COMPOUND_NAME> (1,059)
WAY-303153

>  <BAR_CODE_NO> (1,059)
3905951

$$$$
WAY-303159
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -1.3379   -0.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000    0.1310    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.1586    0.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3379   -1.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3414   -0.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5207    1.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -0.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1586   -1.7897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1793    0.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3414    1.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -1.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8586    0.1621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.3483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1793    1.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3621    2.5310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8586   -1.7897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6793   -0.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8414    0.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6793   -1.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6621   -0.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8414    1.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000    0.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6621   -1.3069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6621    1.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5207    1.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  2  0  0  0  0
 10 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 13 18  1  0  0  0  0
 16 19  1  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  2  0  0  0  0
 22 25  2  0  0  0  0
  8 11  1  0  0  0  0
 10 14  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,060)
1060

>  <Formula> (1,060)
C20H22N2O3

>  <MolWeight> (1,060)
338.40028

>  <COMPOUND_NAME> (1,060)
WAY-303159

>  <BAR_CODE_NO> (1,060)
3905959

$$$$
WAY-303168
csChFnd80/06171916322D

 24 27  0  0  0  0  0  0  0  0999 V2000
    0.0209   -2.2272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2551   -1.8203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2036   -1.5410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0209   -3.5824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5550   -0.5065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0412   -2.9134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2450   -0.2030    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3312   -2.2272    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2551   -4.0030    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2036   -4.2444    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5585    0.4176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8206   -0.0686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0450    0.4970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3830    0.4970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3312   -3.5824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8482    1.6935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1033    1.2349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0968    1.8556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3830    1.8107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1308    2.1452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2450    2.5176    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1588    3.8590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0308    4.5142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0688    5.8763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
 11 16  1  0  0  0  0
 12 17  2  0  0  0  0
 13 18  1  0  0  0  0
 14 19  1  0  0  0  0
 16 20  2  0  0  0  0
 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
  6  9  1  0  0  0  0
 10 15  2  0  0  0  0
 17 20  1  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,061)
1061

>  <Formula> (1,061)
C18H20N4OS

>  <MolWeight> (1,061)
340.4426

>  <COMPOUND_NAME> (1,061)
WAY-303168

>  <BAR_CODE_NO> (1,061)
3905974

$$$$
WAY-303233
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
    3.9582   -1.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9479   -0.9072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9720   -0.8693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9720   -2.6279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9341   -1.4693    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9479    0.2411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0065   -1.3796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9203    0.2928    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.0203   -3.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9134   -0.9313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0203   -2.5658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9134    0.2169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0866   -1.5072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1383    0.7928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1487   -0.9555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1487    0.1928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1590    0.7411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1866    1.8928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1970    2.4411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1694    1.8411    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2211    3.5894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1935    2.4169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1832    0.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2314    1.8411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2073    0.0445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2556    0.6687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  7 11  2  0  0  0  0
 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
  9 11  1  0  0  0  0
 15 16  2  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (1,062)
1062

>  <Formula> (1,062)
C19H19ClN2O4

>  <MolWeight> (1,062)
374.81816

>  <COMPOUND_NAME> (1,062)
WAY-303233

>  <BAR_CODE_NO> (1,062)
3906059

$$$$
WAY-303268-A
csChFnd80/06171916322D

 16 17  0  0  0  0  0  0  0  0999 V2000
    1.3998    0.6239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6653    0.0308    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1136    1.5722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3205    0.3067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2105    0.6791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1722    1.5722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6653    2.3722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4205   -0.6450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0860    0.9550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2002    0.5239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5347   -0.3933    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9105   -1.1933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5347   -0.5450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2795   -2.1209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8864   -1.4692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2864   -2.2692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
  5  6  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,063)
1063

>  <Formula> (1,063)
C12H17NO3

>  <MolWeight> (1,063)
223.26828

>  <COMPOUND_NAME> (1,063)
WAY-303268-A

>  <BAR_CODE_NO> (1,063)
3906099

$$$$
WAY-303273
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -0.9278   -0.1791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4067    0.6002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2588    0.5795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5899   -1.6860    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5584   -0.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3998    2.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2726    2.1243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5830   -0.1860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9412   -1.8343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0653   -0.0895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9450    2.9174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6036    2.8830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9174    0.5692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7170   -3.1584    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0998   -1.2274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5274    1.3795    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9278    2.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6377   -2.6964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6722   -3.8274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  2  0  0  0  0
 12 17  2  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
  5  9  2  0  0  0  0
  7 11  1  0  0  0  0
 13 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,064)
1064

>  <Formula> (1,064)
C15H15NO2S

>  <MolWeight> (1,064)
273.3501

>  <COMPOUND_NAME> (1,064)
WAY-303273

>  <BAR_CODE_NO> (1,064)
3906105

$$$$
WAY-303286
csChFnd80/06171916322D

 21 22  0  0  0  0  0  0  0  0999 V2000
    2.4594   -0.3785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5663   -0.8716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4594    0.6698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3422   -0.8716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6835   -0.3785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5663   -1.9268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3422    1.1974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2249   -0.3785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6835    0.6698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2249    0.6698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2130    1.1974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958    0.6698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2130    2.2249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958   -0.3785    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9785   -0.8716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8475   -0.3233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9785   -1.9268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9302    0.7249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7854   -0.7268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9509    0.9422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4647    0.0663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  7 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
  8 10  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (1,065)
1065

>  <Formula> (1,065)
C15H13NO5

>  <MolWeight> (1,065)
287.26742

>  <COMPOUND_NAME> (1,065)
WAY-303286

>  <BAR_CODE_NO> (1,065)
3906121

$$$$
WAY-303290
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -1.1655    0.6762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1655    0.1279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6448    0.8451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6345    0.9451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6448   -0.0445    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6345   -0.1445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3138    0.4072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4724    1.3658    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.1138    0.6762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1138    0.1279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2276    0.4072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5069   -0.0721    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5069    0.8762    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0552   -0.0721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3276   -0.5445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8759   -0.5445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0552   -1.0238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1448   -1.0238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3276   -1.4928    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8759   -1.4928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
  5  7  1  0  0  0  0
  9 10  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,066)
1066

>  <Formula> (1,066)
C15H11ClN2OS

>  <MolWeight> (1,066)
302.77864

>  <COMPOUND_NAME> (1,066)
WAY-303290

>  <BAR_CODE_NO> (1,066)
3906129

$$$$
WAY-303292
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
    1.9259    1.9049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8845    2.0567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3294    0.9325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3880    2.8498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2363    1.2325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7052    3.0877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6742    0.1015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6328    3.5808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6294    0.2498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0258   -0.5847    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0775   -0.4399    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2224   -1.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9396    0.6153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1293   -0.2916    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2120   -1.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3913   -2.1468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3568   -2.9502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5327   -3.2020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5189   -3.6054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  2  0  0  0  0
 12 15  1  0  0  0  0
 12 16  2  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  2  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (1,067)
1067

>  <Formula> (1,067)
C13H11NO4S

>  <MolWeight> (1,067)
277.29574

>  <COMPOUND_NAME> (1,067)
WAY-303292

>  <BAR_CODE_NO> (1,067)
3906131

$$$$
WAY-303305
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -1.0965    0.0075    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7930   -0.4166    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1275    0.8109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3447   -0.3891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7171   -1.1891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3654   -0.9408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2965   -0.1891    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4171    1.2627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3553    0.0454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8965   -1.6408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5275   -1.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3070    0.8627    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8965   -2.5891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5171   -2.5891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0346    1.2627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6965   -3.0408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5070    1.0109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0070    2.3834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7171   -3.8925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1829    1.4075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1587    2.2109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8587    0.9834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8553    2.6454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5829    1.4109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5587    2.2109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  2  0  0  0  0
  9 12  1  0  0  0  0
 14 16  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,068)
1068

>  <Formula> (1,068)
C19H22N2O3S

>  <MolWeight> (1,068)
358.45458

>  <COMPOUND_NAME> (1,068)
WAY-303305

>  <BAR_CODE_NO> (1,068)
3906149

$$$$
WAY-303308
csChFnd80/06171916322D

 30 32  0  0  0  0  0  0  0  0999 V2000
   -2.2722    0.3723    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1826    0.3723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8170    1.1654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8170   -0.4104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6377   -0.4104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6377    1.1654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9067    1.1585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9136   -0.4139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5446   -0.4035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1826   -1.1863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4550    0.3689    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0032   -1.1967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6308   -1.9794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4554    0.3689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5446   -1.9794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9071   -0.4139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0032   -2.7725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8209   -0.4277    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9101   -2.7725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2726    0.3620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1795    0.3585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8209    1.1551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6381    1.1413    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6381   -0.4311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5450    1.1413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0002    1.9275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9968    0.3447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9105    1.9275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9071    0.3413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3657    1.1275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 21 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 26 28  2  0  0  0  0
 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
  8 11  1  0  0  0  0
 13 15  1  0  0  0  0
 29 30  2  0  0  0  0
M  END
>  <Mol_ID> (1,069)
1069

>  <Formula> (1,069)
C22H26N4O4

>  <MolWeight> (1,069)
410.46624

>  <COMPOUND_NAME> (1,069)
WAY-303308

>  <BAR_CODE_NO> (1,069)
3906155

$$$$
WAY-303313
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
   10.6778    6.9361    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0820    6.4217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8708    8.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0033    3.8165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7599    4.4598    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8002    7.3865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0928    8.6194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8211    2.7339    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.9791    4.6207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5347    2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7630    3.4305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5198    6.2287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2226    4.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4554    4.7491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7630    1.1472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2858    4.8886    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6484    9.2197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3942    2.6909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4014    3.4305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4014    1.0615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7046    2.2406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9289    9.9915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3440    7.4616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6616    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.4182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1160    8.6729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3118    9.9915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  9  1  0  0  0  0
  5  4  2  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  1  0  0  0  0
  9 13  1  0  0  0  0
 10  8  1  0  0  0  0
 11  5  1  0  0  0  0
 12  1  1  0  0  0  0
 13 14  1  0  0  0  0
 14 12  1  0  0  0  0
 15 10  2  0  0  0  0
 16  2  2  0  0  0  0
 17  3  2  0  0  0  0
 18 13  2  0  0  0  0
 19 11  2  0  0  0  0
 20 15  1  0  0  0  0
 21 19  1  0  0  0  0
 22  7  1  0  0  0  0
 23  6  1  0  0  0  0
 24 20  1  0  0  0  0
 25 24  1  0  0  0  0
 26 23  2  0  0  0  0
 27 22  2  0  0  0  0
  7  6  2  0  0  0  0
 27 26  1  0  0  0  0
 10 11  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (1,070)
1070

>  <Formula> (1,070)
C19H15N3O4S

>  <MolWeight> (1,070)
381.4051

>  <COMPOUND_NAME> (1,070)
WAY-303313

>  <BAR_CODE_NO> (1,070)
3906162

$$$$
WAY-304763
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.6828    0.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7207    0.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3138    0.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4862    1.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5828    1.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9138   -0.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0862    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6000    1.9483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6207    0.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9517   -1.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2138    0.8793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1379    2.9483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -0.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6655   -0.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8379   -0.8379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0138   -1.0379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7276   -0.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6655   -1.9517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7276   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4483   -3.0241    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  2  0  0  0  0
  9 13  1  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
  7  8  1  0  0  0  0
 10 13  2  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (1,071)
1071

>  <Formula> (1,071)
C15H10BrNO3

>  <MolWeight> (1,071)
332.1488

>  <COMPOUND_NAME> (1,071)
WAY-304763

>  <BAR_CODE_NO> (1,071)
3907911

$$$$
WAY-304781
csChFnd80/06171916322D

 15 17  0  0  0  0  0  0  0  0999 V2000
   -0.6897    0.2690    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0207   -0.1448    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.3276    1.6552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1069   -0.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5138    0.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6069    0.4414    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0172   -0.9690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1069    0.8552    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.7034   -1.1586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9310    0.8552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4207    0.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6690   -1.4724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0207   -1.9172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9276   -0.1034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7379    1.3138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  2  0  0  0  0
  9 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  2  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Mol_ID> (1,072)
1072

>  <Formula> (1,072)
C10H11NO4

>  <MolWeight> (1,072)
209.19864

>  <COMPOUND_NAME> (1,072)
WAY-304781

>  <BAR_CODE_NO> (1,072)
3907932

$$$$
WAY-304800-A
csChFnd80/06171916322D

 21 24  0  0  0  0  0  0  0  0999 V2000
   -0.0931   -1.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4724   -0.7724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0655   -1.8276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7414   -0.9483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4552   -0.0862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0724   -1.1034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7034   -2.0621    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5207   -2.1517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1172   -1.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0276   -0.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4448    0.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0828   -1.7897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7793   -1.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1276    0.9379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0276    0.9517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1414    1.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0207    1.6483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4345    1.9759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6414    2.0862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2931    2.6517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3793    2.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  9 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  2  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
  7  9  1  0  0  0  0
  8 12  2  0  0  0  0
 17 18  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,073)
1073

>  <Formula> (1,073)
C15H13N3O2S

>  <MolWeight> (1,073)
299.34762

>  <COMPOUND_NAME> (1,073)
WAY-304800-A

>  <BAR_CODE_NO> (1,073)
3907952

$$$$
WAY-304810
csChFnd80/06171916322D

 20 21  0  0  0  0  0  0  0  0999 V2000
    0.7310    0.4759    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.7724    0.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3793    1.5759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0483   -0.3552    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.6138   -1.1345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7793    0.5655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7483    1.8241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5138   -1.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000   -0.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4414   -1.9414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0793    2.8966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5069    0.9966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0207   -2.3931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1517   -3.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2069    3.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6069    1.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0724   -3.3552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9793   -3.8241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9690    2.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0862    2.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12 16  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  1  0  0  0  0
 19 20  1  0  0  0  0
  5  8  1  0  0  0  0
 16 19  2  0  0  0  0
M  END
>  <Mol_ID> (1,074)
1074

>  <Formula> (1,074)
C15H17NO4

>  <MolWeight> (1,074)
275.29978

>  <COMPOUND_NAME> (1,074)
WAY-304810

>  <BAR_CODE_NO> (1,074)
3907962

$$$$
WAY-304818
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -0.2831   -0.7169    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9969   -1.1169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2831    0.1106    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4307   -1.1307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7106   -0.7031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9969   -1.9514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2831    0.9451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5514    0.1106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0969    0.1106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1514   -0.7169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4313   -1.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7175   -2.3549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9969    1.3486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4376    1.3624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8687   -1.1376    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1549    0.1003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4313   -1.9376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9969    2.1831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4307    2.1969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5894   -0.7307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2934    2.6003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3894   -0.9514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8066    0.0624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2934    3.4210    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  3  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  2  0  0  0  0
 10 15  1  0  0  0  0
 10 16  2  0  0  0  0
 11 17  1  0  0  0  0
 13 18  2  0  0  0  0
 14 19  1  0  0  0  0
 15 20  1  0  0  0  0
 18 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 12 17  1  0  0  0  0
 19 21  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,075)
1075

>  <Formula> (1,075)
C17H23FN2O3S

>  <MolWeight> (1,075)
354.4395232

>  <COMPOUND_NAME> (1,075)
WAY-304818

>  <BAR_CODE_NO> (1,075)
3907972

$$$$
WAY-304840
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -2.3414    1.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7345    0.5448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0621    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3414    1.9345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0724   -0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9276    0.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8931   -0.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7655    1.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0483    2.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7448   -0.9552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3793    0.0897    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.3828   -0.7724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7621    1.9345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2310   -1.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4310    0.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6448   -0.6931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0517   -1.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9759   -0.3621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862   -0.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2276    0.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1517   -0.9345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0517    0.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8517    1.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9759   -0.9793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4276   -0.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2517   -0.3310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6276   -1.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4517   -1.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1759   -1.7552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  2  0  0  0  0
 10 14  2  0  0  0  0
 11 15  1  0  0  0  0
 11 16  1  0  0  0  0
 12 17  2  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  2  0  0  0  0
  5  7  2  0  0  0  0
  9 13  1  0  0  0  0
 14 17  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (1,076)
1076

>  <Formula> (1,076)
C24H24N2O3

>  <MolWeight> (1,076)
388.45896

>  <COMPOUND_NAME> (1,076)
WAY-304840

>  <BAR_CODE_NO> (1,076)
3907996

$$$$
WAY-304849
csChFnd80/06171916322D

 24 25  0  0  0  0  0  0  0  0999 V2000
    0.0713   -0.0321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7908   -0.5321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9472   -0.5321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0713    0.9714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7908   -1.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6666   -0.0390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9472   -1.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8161   -0.0390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7390    1.5610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8851    1.5610    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0713   -2.0493    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6597   -2.0493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5287   -0.5390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6666    0.9645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8161   -2.0493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6851   -0.5390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8161    0.9645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4287    2.5473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7425    1.5679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5748    2.5197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3977   -0.0424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5541   -0.0390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2666   -0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4230   -0.5390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  2  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  2  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
 10 20  1  0  0  0  0
 13 21  1  0  0  0  0
 16 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
  7 11  1  0  0  0  0
 18 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,077)
1077

>  <Formula> (1,077)
C18H23NO4S

>  <MolWeight> (1,077)
349.44452

>  <COMPOUND_NAME> (1,077)
WAY-304849

>  <BAR_CODE_NO> (1,077)
3908006

$$$$
WAY-304852
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -1.6069    0.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0345   -0.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7759    0.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0000    1.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6345   -1.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8483   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3828   -0.3448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3586    1.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8241    1.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8069   -1.0586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0586   -1.7448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2448    0.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4655    1.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4069   -1.7724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8655    0.3379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8931    1.7655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6862    0.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0793   -0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1138    1.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9034   -0.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6552   -1.1069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9310    1.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3379    0.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0552   -1.8241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
  8 13  1  0  0  0  0
 10 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  2  0  0  0  0
 20 23  2  0  0  0  0
 21 24  1  0  0  0  0
  7 10  1  0  0  0  0
  9 12  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,078)
1078

>  <Formula> (1,078)
C18H17N3O3

>  <MolWeight> (1,078)
323.34588

>  <COMPOUND_NAME> (1,078)
WAY-304852

>  <BAR_CODE_NO> (1,078)
3908011

$$$$
WAY-304871
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.0723    2.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8999    2.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0723    1.5414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7140    2.6172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6102    2.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8999    1.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7140    1.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1968    1.9448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3240    2.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6102    1.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9657    0.4966    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3240    1.5414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4140   -0.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6657   -0.8966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1105   -1.4966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4588   -1.0724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3519   -2.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1519   -2.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2032   -2.8828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3968   -3.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0381   -3.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8381   -3.8552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  9 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
  7  8  1  0  0  0  0
 10 12  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,079)
1079

>  <Formula> (1,079)
C15H13N5OS

>  <MolWeight> (1,079)
311.36162

>  <COMPOUND_NAME> (1,079)
WAY-304871

>  <BAR_CODE_NO> (1,079)
3908033

$$$$
WAY-304910
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -2.9966    0.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0103    1.3589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2828    0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7828    0.2796    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2966    1.7727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7966    1.6072    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5828    0.5555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2517    0.9555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5828    1.3589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8517    0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1517    0.5555    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8448   -0.6928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5655    0.1555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3483    0.4072    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5793   -0.6790    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.8379   -0.2445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3552   -0.9204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6655   -0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0793   -0.9790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9000   -0.9790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6655   -1.6928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3034   -1.6928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1310   -1.6928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (1,080)
1080

>  <Formula> (1,080)
C15H14N2O5S

>  <MolWeight> (1,080)
334.34706

>  <COMPOUND_NAME> (1,080)
WAY-304910

>  <BAR_CODE_NO> (1,080)
3908077

$$$$
WAY-304975
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.6345    0.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0966    0.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2345    0.0793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4759    0.8172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2345   -0.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4138    0.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1655    0.3586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0034    0.8379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6966   -0.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8759    0.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6448    0.2586    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0138    0.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8034   -0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5138   -0.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2724   -0.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4241   -0.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5931    0.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8862   -0.8552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1138   -1.0828    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0724   -0.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2138   -0.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  9 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
  7  8  2  0  0  0  0
 10 12  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (1,081)
1081

>  <Formula> (1,081)
C16H13FN2OS

>  <MolWeight> (1,081)
300.3506232

>  <COMPOUND_NAME> (1,081)
WAY-304975

>  <BAR_CODE_NO> (1,081)
3908156

$$$$
WAY-304992
csChFnd80/06171916322D

 20 21  0  0  0  0  0  0  0  0999 V2000
    0.0103    0.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9690    0.7655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6897    1.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2103   -0.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3310   -0.1345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6310    1.0655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4690    2.2655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6310   -0.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2897   -0.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8690    0.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9690    0.2862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5310   -1.3138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7897   -0.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1897   -0.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8897    0.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0483   -1.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4690    0.5448    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4310   -1.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5690    0.7448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3897   -1.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  2  0  0  0  0
 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  2  0  0  0  0
  5  8  1  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,082)
1082

>  <Formula> (1,082)
C13H12FN3O3

>  <MolWeight> (1,082)
277.2510832

>  <COMPOUND_NAME> (1,082)
WAY-304992

>  <BAR_CODE_NO> (1,082)
3908175

$$$$
WAY-305000
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -1.3210    1.1033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2831    1.0033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6210    0.4654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9210    1.9654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6831    0.1240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8417    1.7827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2169    0.9447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7417   -0.4967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0169    1.8654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6417    0.0240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7831    1.7033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0583    0.4654    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2037    0.8033    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0583   -0.4967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8790   -0.9967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7169   -0.4967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8790   -1.9553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5583   -0.9967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7169   -2.4346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5583   -1.9553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3825   -2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
 10 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 20 21  1  0  0  0  0
  7  9  2  0  0  0  0
 11 13  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,083)
1083

>  <Formula> (1,083)
C16H16N4S

>  <MolWeight> (1,083)
296.39004

>  <COMPOUND_NAME> (1,083)
WAY-305000

>  <BAR_CODE_NO> (1,083)
3908185

$$$$
WAY-305006
csChFnd80/06171916322D

 20 21  0  0  0  0  0  0  0  0999 V2000
    0.5448    0.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5448   -1.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6103    0.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7517    0.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6103   -1.9552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7310   -1.9793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7966    0.0759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6103    2.0828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7966    2.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7966   -1.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9862    2.7483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6586    2.8276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9828   -2.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0138    4.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    4.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9552   -3.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8724    4.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7966   -3.9931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7966   -5.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6448   -3.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
  7 10  1  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,084)
1084

>  <Formula> (1,084)
C16H20N2OS

>  <MolWeight> (1,084)
288.4078

>  <COMPOUND_NAME> (1,084)
WAY-305006

>  <BAR_CODE_NO> (1,084)
3908193

$$$$
WAY-305016
csChFnd80/06171916322D

 29 31  0  0  0  0  0  0  0  0999 V2000
   -2.1310   -1.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4069   -1.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8483   -1.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1310   -0.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4103   -2.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6931   -1.4552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8552   -2.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5690   -1.4552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4103   -0.2172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8414   -0.2138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1310   -3.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6862   -0.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2862   -1.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6931    0.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0207   -0.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6931    1.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7414    0.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0207    1.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7414    1.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4517    1.4310    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1655    1.0310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4448    2.2586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6655    0.6448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8793    1.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8655    2.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5931    1.0310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5793    2.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3069    1.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3034    2.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 20 23  2  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  2  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
  7 11  1  0  0  0  0
 18 19  2  0  0  0  0
 28 29  2  0  0  0  0
M  END
>  <Mol_ID> (1,085)
1085

>  <Formula> (1,085)
C20H19N3O5S

>  <MolWeight> (1,085)
413.44696

>  <COMPOUND_NAME> (1,085)
WAY-305016

>  <BAR_CODE_NO> (1,085)
3908206

$$$$
WAY-305025
csChFnd80/06171916322D

 15 16  0  0  0  0  0  0  0  0999 V2000
    0.8978   -0.2925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4728    0.4325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3397    0.2450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4147   -0.5800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3478   -0.9050    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7228   -0.2800    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8728    1.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7103    1.1575    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1647   -0.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1228    0.4450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4478    1.8575    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2314   -1.7550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0147    0.7200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8397   -0.4550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5897   -0.8050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8 10  1  0  0  0  0
  9  4  1  0  0  0  0
 10  6  2  0  0  0  0
 11  7  2  0  0  0  0
 12  9  2  0  0  0  0
 13  3  1  0  0  0  0
 14  9  1  0  0  0  0
 15 14  1  0  0  0  0
  3  4  2  0  0  0  0
  7  8  1  0  0  0  0
M  END
>  <Mol_ID> (1,086)
1086

>  <Formula> (1,086)
C9H8N2O3S

>  <MolWeight> (1,086)
224.23642

>  <COMPOUND_NAME> (1,086)
WAY-305025

>  <BAR_CODE_NO> (1,086)
3908215

$$$$
WAY-305032
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.1595    0.9909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0060    0.6358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8595    0.0392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3664    1.2461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6509    1.9530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0060   -0.5987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0888    1.2461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1491   -0.9849    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1146    0.0392    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7698    2.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2371    3.1289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0888   -1.2298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1543    0.6358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5146   -2.1504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9698    3.3530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1543   -0.6194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2095    1.2737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7112   -2.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0457   -3.5608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7043   -1.5642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2319   -3.8332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
 10 15  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
  6  8  1  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,087)
1087

>  <Formula> (1,087)
C15H17NO5

>  <MolWeight> (1,087)
291.29918

>  <COMPOUND_NAME> (1,087)
WAY-305032

>  <BAR_CODE_NO> (1,087)
3908223

$$$$
WAY-305045
csChFnd80/06171916322D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -0.5586   -0.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5586    0.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5172   -1.1207    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.4000   -1.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5172    1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000    1.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4793   -0.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4793   -1.6483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5586   -1.6483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3621   -0.5690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000   -2.2310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4793    0.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5172    2.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3621    0.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4793   -2.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4310   -0.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4379    1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4793    2.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3931    0.9207    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0724    0.0103    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.4379    2.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1724    0.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7517   -0.9379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7517    0.9517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  2  0  0  0  0
  5 12  1  0  0  0  0
  5 13  2  0  0  0  0
  6 14  2  0  0  0  0
  8 15  1  0  0  0  0
 10 16  1  0  0  0  0
 12 17  2  0  0  0  0
 13 18  1  0  0  0  0
 14 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
  7 12  1  0  0  0  0
 10 14  1  0  0  0  0
 18 21  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,088)
1088

>  <Formula> (1,088)
C18H18N2O3S

>  <MolWeight> (1,088)
342.41212

>  <COMPOUND_NAME> (1,088)
WAY-305045

>  <BAR_CODE_NO> (1,088)
3908244

$$$$
WAY-305048
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -0.3456   -0.8313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9040   -0.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8248   -0.3313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9040   -1.5896    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8248   -1.2896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6377   -0.8896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6623   -1.7688    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6623    0.1479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1544   -0.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1169   -0.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6377    0.7104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5040   -0.3313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5040   -1.2896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5831    0.8896    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0752   -1.7521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1960    1.5687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6960    0.7896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2169    1.6104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5960    0.6687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7169    2.3687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6623    1.1312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3623   -1.7521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0377   -0.1688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6627    2.3187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  5  1  0  0  0  0
  8  3  1  0  0  0  0
  9  6  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12  8  2  0  0  0  0
 13  7  2  0  0  0  0
 14  2  1  0  0  0  0
 15  6  2  0  0  0  0
 16 18  1  0  0  0  0
 17  9  1  0  0  0  0
 18 17  2  0  0  0  0
 19 11  1  0  0  0  0
 20 16  1  0  0  0  0
 21  8  1  0  0  0  0
 22 13  1  0  0  0  0
 23 19  1  0  0  0  0
 24 20  1  0  0  0  0
  5  3  2  0  0  0  0
 13 12  1  0  0  0  0
 11 16  2  0  0  0  0
M  END
>  <Mol_ID> (1,089)
1089

>  <Formula> (1,089)
C18H18N2O3S

>  <MolWeight> (1,089)
342.41212

>  <COMPOUND_NAME> (1,089)
WAY-305048

>  <BAR_CODE_NO> (1,089)
3908248

$$$$
WAY-305061
csChFnd80/06171916322D

 32 35  0  0  0  0  0  0  0  0999 V2000
   -0.8586    0.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0793   -0.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8586    1.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6414   -0.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0793   -0.9517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7207    0.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6414    1.7172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0793    1.7172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6414   -0.9517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8586   -1.3828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7207   -1.3828    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5124    0.8265    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6414    2.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0793    2.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4103   -1.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -0.9207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8586    3.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4103   -2.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1931   -0.9517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2793   -1.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8586    3.9793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1931   -2.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9724   -1.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0483   -0.9034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2793   -2.2621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6414    4.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9724   -2.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8276   -1.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0483   -0.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6069   -0.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8276    0.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6069   -0.0034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  3  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 11 16  1  0  0  0  0
 13 17  1  0  0  0  0
 15 18  1  0  0  0  0
 15 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  2  0  0  0  0
 19 23  1  0  0  0  0
 20 24  1  0  0  0  0
 20 25  2  0  0  0  0
 21 26  1  0  0  0  0
 22 27  1  0  0  0  0
 24 28  1  0  0  0  0
 24 29  1  0  0  0  0
 28 30  1  0  0  0  0
 29 31  1  0  0  0  0
 30 32  1  0  0  0  0
  9 10  2  0  0  0  0
 14 17  2  0  0  0  0
 23 27  2  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <Mol_ID> (1,090)
1090

>  <Formula> (1,090)
C25H23N3O3S

>  <MolWeight> (1,090)
445.53342

>  <COMPOUND_NAME> (1,090)
WAY-305061

>  <BAR_CODE_NO> (1,090)
3908264

$$$$
WAY-305071
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
    1.1483   -1.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7103   -1.6483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9207   -0.3483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9000   -1.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0103   -2.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0379   -1.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5345    0.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1345   -0.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5724   -2.9345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4759   -2.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5345    0.8552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1759   -2.8621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8828   -3.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8862    1.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4345   -4.2310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6241   -3.6966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8862    1.9828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2345    0.8552    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4138    2.0552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4207    2.5138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4138    1.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9276    2.6034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0655    0.8655    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6552    2.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1759    2.9759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8759    1.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9000    2.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6000    1.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1138    2.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
 11 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 14 17  1  0  0  0  0
 14 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  2  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  2  0  0  0  0
 27 29  2  0  0  0  0
  7  8  2  0  0  0  0
 10 12  1  0  0  0  0
 19 21  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (1,091)
1091

>  <Formula> (1,091)
C22H15NO4S2

>  <MolWeight> (1,091)
421.4888

>  <COMPOUND_NAME> (1,091)
WAY-305071

>  <BAR_CODE_NO> (1,091)
3908275

$$$$
WAY-305080
csChFnd80/06171916322D

 30 34  0  0  0  0  0  0  0  0999 V2000
   -1.1000    0.8724    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.2172    1.0207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7172    1.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0828    1.8552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3828    0.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000    0.2103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1000   -0.7448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5172    1.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9690    2.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2483    0.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -0.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3379    1.5310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5483    1.3552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8793   -0.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7379   -1.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4310    1.5207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4793   -0.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3379   -1.9690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0207    0.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2172   -1.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7483   -0.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9103    0.9931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8310   -2.4207    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3310   -0.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5207    0.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2483   -0.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2310   -1.6207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6690   -1.3207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0379   -1.9966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  9 13  2  0  0  0  0
 10 14  1  0  0  0  0
 12 15  2  0  0  0  0
 12 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  2  0  0  0  0
 17 20  1  0  0  0  0
 18 21  2  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
 23 26  2  0  0  0  0
 25 27  2  0  0  0  0
 25 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
  7  9  1  0  0  0  0
 11 14  1  0  0  0  0
 19 21  1  0  0  0  0
 26 27  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (1,092)
1092

>  <Formula> (1,092)
C22H22FN3O4

>  <MolWeight> (1,092)
411.4261832

>  <COMPOUND_NAME> (1,092)
WAY-305080

>  <BAR_CODE_NO> (1,092)
3908285

$$$$
WAY-305082
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    1.0759    0.8862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7931    1.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1241    0.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3414    1.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7931    2.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6241    0.8379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4241   -0.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3655    0.8379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0241    2.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5414    2.7862    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3241    0.0379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3759    3.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2931    3.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0172   -0.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9862   -0.9138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9241    0.1379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6966   -1.3138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6759   -2.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4069   -2.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9655   -2.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3966   -3.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9759   -3.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6759   -3.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
  8 11  1  0  0  0  0
 12 13  2  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,093)
1093

>  <Formula> (1,093)
C17H18N2O3S

>  <MolWeight> (1,093)
330.40142

>  <COMPOUND_NAME> (1,093)
WAY-305082

>  <BAR_CODE_NO> (1,093)
3908287

$$$$
WAY-305117
csChFnd80/06171916322D

 30 31  0  0  0  0  0  0  0  0999 V2000
   -1.4897   -0.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7690   -0.5897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2000   -0.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4897    0.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0552   -0.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7690   -1.4172    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9138   -0.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2000    1.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7759    1.0724    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.6621   -0.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4793   -1.8276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0241   -1.6276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3621   -2.1276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9138    0.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6310   -0.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3724   -0.1759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6621   -1.4103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7690   -1.4414    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2793   -0.9655    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4379   -0.2862    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.3621    0.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0931   -0.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0828    1.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000   -0.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    0.6586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5103    1.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5069    1.8966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2310    0.6586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2207    2.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2103    3.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
  6 13  2  0  0  0  0
  7 14  2  0  0  0  0
  7 15  1  0  0  0  0
 10 16  1  0  0  0  0
 10 17  2  0  0  0  0
 15 18  1  0  0  0  0
 15 19  1  0  0  0  0
 15 20  1  0  0  0  0
 16 21  1  0  0  0  0
 16 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
  8 14  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,094)
1094

>  <Formula> (1,094)
C17H21ClF3N3O5S

>  <MolWeight> (1,094)
471.8789496

>  <COMPOUND_NAME> (1,094)
WAY-305117

>  <BAR_CODE_NO> (1,094)
3908333

$$$$
WAY-305133
csChFnd80/06171916322D

 28 32  0  0  0  0  0  0  0  0999 V2000
    0.9552   -0.0414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4793    0.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9552   -0.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4276    0.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0034   -0.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4759    0.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4793   -0.9517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4345   -0.9517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0966   -0.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4241    0.8724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0069   -0.6483    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5276    0.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4828   -1.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4379   -1.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5207    0.3793    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5276    0.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9621   -1.8552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1276    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4655    0.9069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5034   -0.0793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0517    0.7448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0759    0.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3414   -0.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5621    1.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6138   -0.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1000    0.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1241    0.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  2  0  0  0  0
  7 14  1  0  0  0  0
  8 15  2  0  0  0  0
  9 16  1  0  0  0  0
 12 17  2  0  0  0  0
 14 18  2  0  0  0  0
 16 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
 23 26  1  0  0  0  0
 25 27  2  0  0  0  0
 26 28  2  0  0  0  0
  7 11  1  0  0  0  0
 13 17  1  0  0  0  0
 15 18  1  0  0  0  0
 22 23  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (1,095)
1095

>  <Formula> (1,095)
C22H17N3OS2

>  <MolWeight> (1,095)
403.51988

>  <COMPOUND_NAME> (1,095)
WAY-305133

>  <BAR_CODE_NO> (1,095)
3908351

$$$$
WAY-305142-A
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.9483   -0.9138    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.1241   -0.8759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4655   -0.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1655   -1.7103    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1655   -1.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3276   -0.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1655    0.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2793   -0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4759   -2.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9621   -1.8621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1483   -0.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6828    1.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3448    0.4966    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7966    0.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6034    0.4586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5000    1.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4276    0.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2310    1.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8828    1.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6897    1.8828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5138    1.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  2  0  0  0  0
 11 15  1  0  0  0  0
 12 16  2  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
  5  9  1  0  0  0  0
 14 16  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,096)
1096

>  <Formula> (1,096)
C16H21FN2OS

>  <MolWeight> (1,096)
308.4141432

>  <COMPOUND_NAME> (1,096)
WAY-305142-A

>  <BAR_CODE_NO> (1,096)
3908363

$$$$
WAY-305145-A
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -1.7138   -0.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7172    0.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9931   -0.5379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4379   -0.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2759    0.7172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4379    1.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2759   -0.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9897   -1.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1517   -0.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4379    1.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1517    0.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4483   -0.5345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7000   -1.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1483    0.7276    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.4172   -1.3586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7000   -2.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8621    1.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1621   -0.0966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1310   -1.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4138   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5828    0.7483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1310   -2.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2862    1.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0103    0.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2828    1.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7207    1.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9862    2.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7103    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
 10 14  1  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  2  0  0  0  0
 17 21  1  0  0  0  0
 19 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  2  0  0  0  0
 26 28  2  0  0  0  0
  5  7  1  0  0  0  0
  9 11  2  0  0  0  0
 20 22  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (1,097)
1097

>  <Formula> (1,097)
C23H23N3O2

>  <MolWeight> (1,097)
373.44762

>  <COMPOUND_NAME> (1,097)
WAY-305145-A

>  <BAR_CODE_NO> (1,097)
3908366

$$$$
WAY-305160
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.8105    0.2282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8105   -0.2511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4105    0.4661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2105    0.4661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4105   -0.4718    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2105   -0.4718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0101    0.2282    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4105    0.9282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6105    0.2282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0101   -0.2511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6105   -0.2511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4101   -0.4891    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9968   -0.4718    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8101   -0.2718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4726   -0.2373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2101   -0.5132    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8101    0.1868    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6239   -0.2753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2274    0.4282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6274    0.1799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9722   -0.5511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2377    0.8006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0136    0.3661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 19 22  2  0  0  0  0
 20 23  1  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,098)
1098

>  <Formula> (1,098)
C16H17N5O2

>  <MolWeight> (1,098)
311.33848

>  <COMPOUND_NAME> (1,098)
WAY-305160

>  <BAR_CODE_NO> (1,098)
3908385

$$$$
WAY-305199
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -0.5517    0.7411    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3310    0.9997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0586    1.3997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3897   -0.0658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9379    0.4514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3172    1.8204    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5379    2.0618    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7483    1.3997    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3828   -0.3175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9966   -0.6072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7172    0.7204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7793   -0.3486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1690    0.6928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5483   -1.1279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8310   -1.4175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3310    0.1721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3897   -0.8865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9897    0.6928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0586   -1.6796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1621   -0.6279    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3897   -0.0175    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4034    1.3825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1103   -2.4796    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.1414   -0.8175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2207   -0.0175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8034   -1.3072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4828   -0.8175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  2  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
 12 17  2  0  0  0  0
 13 18  1  0  0  0  0
 14 19  1  0  0  0  0
 16 20  2  0  0  0  0
 18 21  1  0  0  0  0
 18 22  2  0  0  0  0
 19 23  1  0  0  0  0
 21 24  1  0  0  0  0
 21 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
  6  7  1  0  0  0  0
 15 19  2  0  0  0  0
 17 20  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (1,099)
1099

>  <Formula> (1,099)
C19H18FN5OS

>  <MolWeight> (1,099)
383.4425232

>  <COMPOUND_NAME> (1,099)
WAY-305199

>  <BAR_CODE_NO> (1,099)
3908432

$$$$
WAY-305201
csChFnd80/06171916322D

 18 19  0  0  0  0  0  0  0  0999 V2000
    1.4862   -0.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1862    0.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6448    0.3276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5862   -0.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9862    0.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0966    1.3862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0345   -0.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3655   -1.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0862   -0.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3172    1.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8552    0.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0862   -1.0931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5552   -0.4517    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3759   -0.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6759    0.6690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0552   -0.6724    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5345    0.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7759   -0.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
  8  9  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,100)
1100

>  <Formula> (1,100)
C12H14N2O2S2

>  <MolWeight> (1,100)
282.38176

>  <COMPOUND_NAME> (1,100)
WAY-305201

>  <BAR_CODE_NO> (1,100)
3908434

$$$$
WAY-305205
csChFnd80/06171916322D

 23 26  0  0  0  0  0  0  0  0999 V2000
   -1.6691   -0.4384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6691    0.6892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5863   -0.7695    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6415   -0.9867    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5863    1.0616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6415    1.2685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0654    0.1374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6208   -0.4108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2346    2.1305    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6208    0.6892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2068    0.1133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6863   -0.7695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6863    1.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7827   -0.8626    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7654    1.0892    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3415    0.1133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9068   -0.8626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4792    0.1133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4792   -1.8384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6137    0.1133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9068    1.0892    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.6137   -1.8384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1654   -0.8626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12 16  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  2  0  0  0  0
 20 23  2  0  0  0  0
  5  7  2  0  0  0  0
  8 10  1  0  0  0  0
 13 16  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,101)
1101

>  <Formula> (1,101)
C17H14FN3OS

>  <MolWeight> (1,101)
327.3759632

>  <COMPOUND_NAME> (1,101)
WAY-305205

>  <BAR_CODE_NO> (1,101)
3908439

$$$$
WAY-305238
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -1.4414   -0.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3552    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5276    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4414   -1.3483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2655   -0.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3552    1.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3862   -0.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5276    1.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3552   -1.8483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2655   -1.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1759    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2655    1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3069    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3862    1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1759   -1.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1759    1.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2103   -0.2483    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3069    1.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1241   -0.8379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7586    0.6621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6586   -1.2069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2103    1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0448   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1241   -1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9552   -0.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8586   -0.3862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
 10 15  2  0  0  0  0
 11 16  2  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  2  0  0  0  0
 17 21  2  0  0  0  0
 18 22  1  0  0  0  0
 19 23  1  0  0  0  0
 19 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
  9 10  1  0  0  0  0
 12 16  1  0  0  0  0
 14 18  2  0  0  0  0
M  END
>  <Mol_ID> (1,102)
1102

>  <Formula> (1,102)
C18H19N3O4S

>  <MolWeight> (1,102)
373.42616

>  <COMPOUND_NAME> (1,102)
WAY-305238

>  <BAR_CODE_NO> (1,102)
3908476

$$$$
WAY-305245
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -0.6864    0.5455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5002    0.0697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1205    0.0697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6864    1.4835    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3140    0.5455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5002   -0.8786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9343    0.5455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9343    1.4835    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1347    0.0697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3105    1.5145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3140   -1.3510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7377    0.0697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1347   -0.8786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3105   -2.3303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5653    0.5455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7377   -0.8648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3860    0.0697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5377    1.5214    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.5515   -1.3510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3860   -0.8786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  9 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  2  0  0  0  0
 12 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  2  0  0  0  0
 17 20  2  0  0  0  0
  7  8  1  0  0  0  0
 11 13  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,103)
1103

>  <Formula> (1,103)
C16H13ClN2O

>  <MolWeight> (1,103)
284.74022

>  <COMPOUND_NAME> (1,103)
WAY-305245

>  <BAR_CODE_NO> (1,103)
3908484

$$$$
WAY-305251
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -2.3552    0.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3759    0.7828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3379    0.7828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0966   -0.9586    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3966    0.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3759    1.9828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4552   -0.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2379    1.9621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9379   -1.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4172    0.7828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3966    2.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7034    0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4172    1.9828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4828   -0.6793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1034    1.3207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6241   -0.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4034   -1.3586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0241    0.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5448   -1.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0448   -2.4793    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.1828    0.8621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9448   -0.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8448   -3.3276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8931   -2.7069    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
 10 13  2  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  2  0  0  0  0
 20 24  1  0  0  0  0
  7  9  2  0  0  0  0
 11 13  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,104)
1104

>  <Formula> (1,104)
C18H14N2O3S

>  <MolWeight> (1,104)
338.38036

>  <COMPOUND_NAME> (1,104)
WAY-305251

>  <BAR_CODE_NO> (1,104)
3908490

$$$$
WAY-305315
csChFnd80/06171916322D

 29 31  0  0  0  0  0  0  0  0999 V2000
    1.4103    1.9690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2310    2.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4103    1.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5897    2.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2310    3.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0310    1.9690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6897    0.6172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2310    0.5690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5897    3.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4103    3.8172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0310    3.8172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8310    2.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0414    1.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7310   -0.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0379    4.7517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7517    0.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0310   -0.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7207   -0.2414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4103   -0.6621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3828   -1.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2207   -0.1897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1517   -2.0828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2207   -3.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0690   -3.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4414   -3.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1621   -4.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5207   -4.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4034   -4.9103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0034   -4.7897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  2  0  0  0  0
 26 28  2  0  0  0  0
 26 29  1  0  0  0  0
  9 10  2  0  0  0  0
 17 18  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (1,105)
1105

>  <Formula> (1,105)
C22H26N2O5

>  <MolWeight> (1,105)
398.45224

>  <COMPOUND_NAME> (1,105)
WAY-305315

>  <BAR_CODE_NO> (1,105)
3908568

$$$$
WAY-305331
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
    0.7793   -0.3759    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.5621   -0.8379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7621    0.5621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0379   -0.8379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5621   -1.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3621   -0.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0379    1.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8207   -0.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3621   -2.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7414   -2.2138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1621   -0.8379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0379    1.9414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8207    0.5621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6207   -0.8379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1621   -1.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8379    2.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7621    2.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4207   -0.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6379   -1.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8379    3.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7621    3.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2207   -0.8379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4207   -2.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0379    3.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2207   -1.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  2  0  0  0  0
 12 16  2  0  0  0  0
 12 17  1  0  0  0  0
 14 18  2  0  0  0  0
 14 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  2  0  0  0  0
 18 22  1  0  0  0  0
 19 23  2  0  0  0  0
 20 24  2  0  0  0  0
 22 25  2  0  0  0  0
  8 13  1  0  0  0  0
 11 15  1  0  0  0  0
 21 24  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,106)
1106

>  <Formula> (1,106)
C21H17N3O

>  <MolWeight> (1,106)
327.37918

>  <COMPOUND_NAME> (1,106)
WAY-305331

>  <BAR_CODE_NO> (1,106)
3908589

$$$$
WAY-305341
csChFnd80/06171916322D

 22 23  0  0  0  0  0  0  0  0999 V2000
   -2.6343   -0.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7688   -1.8207    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7929   -1.2862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3170    0.2138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5964   -1.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6584   -0.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1895    1.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2860   -0.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3619    0.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8274   -0.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8895    2.2517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8864    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1550    0.5379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7554   -0.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1968    1.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9278   -0.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3761    1.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2381    0.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4140    0.9552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2726    0.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4485    0.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9623   -1.0793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  2  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
  7  9  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,107)
1107

>  <Formula> (1,107)
C15H15N3O3S

>  <MolWeight> (1,107)
317.3629

>  <COMPOUND_NAME> (1,107)
WAY-305341

>  <BAR_CODE_NO> (1,107)
3908605

$$$$
WAY-305345
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -0.4138    0.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9897    0.0345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4138    0.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0966   -0.0828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1759   -0.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3379    0.5207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9897    1.0069    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0966    1.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6172    0.2172    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.7759   -0.9793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7655   -0.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9379    0.5276    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6172    0.8172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0966    1.7172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1345   -0.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9655   -1.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9517   -1.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6621    0.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1345   -0.6828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5517   -1.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1724   -0.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6621    0.8276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6621   -0.9724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1828   -0.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1345    1.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
  8 13  1  0  0  0  0
  8 14  2  0  0  0  0
  9 15  1  0  0  0  0
 10 16  2  0  0  0  0
 11 17  1  0  0  0  0
 15 18  1  0  0  0  0
 15 19  2  0  0  0  0
 16 20  1  0  0  0  0
 18 21  2  0  0  0  0
 18 22  1  0  0  0  0
 19 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
  6  7  1  0  0  0  0
  9 13  1  0  0  0  0
 17 20  2  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (1,108)
1108

>  <Formula> (1,108)
C18H15N3O2S2

>  <MolWeight> (1,108)
369.4606

>  <COMPOUND_NAME> (1,108)
WAY-305345

>  <BAR_CODE_NO> (1,108)
3908613

$$$$
WAY-305359
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -2.0138    0.8828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9966    0.8828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5931    0.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6448    1.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4966    1.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4966    0.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5690    0.3448    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.1793   -0.8414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5690    1.3828    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.4690    2.7241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5207    1.7966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5207    0.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4310   -0.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4310    1.8966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0414    0.8828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3138    0.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3138    1.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0690    0.8621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5690   -0.0172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6034    1.7069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5690   -0.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0828   -0.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5828   -1.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0897   -0.8862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0897   -2.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5690   -1.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5897   -3.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0552   -2.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5690   -3.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  9 14  1  0  0  0  0
 11 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  2  0  0  0  0
 23 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  2  0  0  0  0
 27 29  2  0  0  0  0
  7  9  1  0  0  0  0
 12 15  1  0  0  0  0
 16 17  2  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (1,109)
1109

>  <Formula> (1,109)
C23H19NO5

>  <MolWeight> (1,109)
389.40066

>  <COMPOUND_NAME> (1,109)
WAY-305359

>  <BAR_CODE_NO> (1,109)
3908630

$$$$
WAY-305377
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -0.6278   -1.0568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9174   -0.0154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2588   -1.8982    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4308   -1.1016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0243    0.5363    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9278    0.2467    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3174   -1.7775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8416   -2.8637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7895   -0.1361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6657    1.2536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9623    0.5122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1968   -0.7947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9416   -2.6257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4726   -3.7050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7791    0.1984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4140    2.0053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6554    1.5260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5071   -3.5913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5791   -0.5223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0239    1.2122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1485    3.0156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3864    2.5398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5653   -0.1913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0136    1.5501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1347    3.3053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8067    0.8260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8205    1.1363    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5929    0.4156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  2  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 10 17  2  0  0  0  0
 13 18  1  0  0  0  0
 15 19  2  0  0  0  0
 15 20  1  0  0  0  0
 16 21  2  0  0  0  0
 17 22  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  2  0  0  0  0
 21 25  1  0  0  0  0
 23 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
  5  9  2  0  0  0  0
 14 18  1  0  0  0  0
 22 25  2  0  0  0  0
 24 26  1  0  0  0  0
M  END
>  <Mol_ID> (1,110)
1110

>  <Formula> (1,110)
C20H20N2O5S

>  <MolWeight> (1,110)
400.4482

>  <COMPOUND_NAME> (1,110)
WAY-305377

>  <BAR_CODE_NO> (1,110)
3908649

$$$$
WAY-305447
csChFnd80/06171916322D

 32 34  0  0  0  0  0  0  0  0999 V2000
   -0.7172   -0.3207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4276    0.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7172   -1.1483    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0034    0.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1414   -0.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4276    0.9207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4276   -1.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1276   -1.7310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1069   -1.1483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7069   -0.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8655    0.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1345    1.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1414   -1.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4414   -2.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4276    0.0897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7069   -1.1483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8655    0.9207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5828   -0.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8552   -1.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1552   -2.7724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4207    0.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1414   -0.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    1.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8655   -2.3586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1448    1.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8586    0.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8655    0.9138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5828    1.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5828    2.1483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3034    0.9138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3069    2.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3069    3.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  3  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  2  0  0  0  0
  7 14  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  2  0  0  0  0
 11 17  1  0  0  0  0
 11 18  1  0  0  0  0
 13 19  1  0  0  0  0
 14 20  2  0  0  0  0
 15 21  1  0  0  0  0
 15 22  1  0  0  0  0
 17 23  1  0  0  0  0
 19 24  2  0  0  0  0
 21 25  1  0  0  0  0
 22 26  1  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 12 17  2  0  0  0  0
 20 24  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (1,111)
1111

>  <Formula> (1,111)
C23H29N3O5S

>  <MolWeight> (1,111)
459.55846

>  <COMPOUND_NAME> (1,111)
WAY-305447

>  <BAR_CODE_NO> (1,111)
3908723

$$$$
WAY-305460
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
    0.3713    0.5256    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3713   -0.3296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0954    0.9394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4701    0.7842    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0954   -0.7606    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4701   -0.6054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8540    0.5256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0747    1.8015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9528    0.0980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8540   -0.3296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0403    2.6463    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.2023    1.7739    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.9403    1.8359    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8322    0.0739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5920   -0.7709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2460    0.8222    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2460   -0.6537    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5747   -1.6158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3644   -0.3709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1080    0.8325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3127   -2.0813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0954   -0.8192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5425    0.1084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0713   -1.6882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4046    0.0359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2149   -0.6744    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5942   -0.8330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8287   -1.2709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  2  0  0  0  0
 20 23  1  0  0  0  0
 21 24  2  0  0  0  0
 23 25  2  0  0  0  0
 23 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
 22 24  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <Mol_ID> (1,112)
1112

>  <Formula> (1,112)
C19H13F3N4O2

>  <MolWeight> (1,112)
386.3273296

>  <COMPOUND_NAME> (1,112)
WAY-305460

>  <BAR_CODE_NO> (1,112)
3908737

$$$$
WAY-305469
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -1.3276   -0.1448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7276   -0.8552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7517    0.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5034   -0.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3069   -1.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5517   -0.8655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3517    1.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1069    0.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7138   -2.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9586   -1.5759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5310    1.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5414   -2.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1310    2.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0103   -2.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6966    2.0310    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.1172    1.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0897    2.7517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9345    1.3310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3552    0.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9552   -0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1862    0.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3759   -0.8069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6069   -0.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,113)
1113

>  <Formula> (1,113)
C20H32N2O2

>  <MolWeight> (1,113)
332.48028

>  <COMPOUND_NAME> (1,113)
WAY-305469

>  <BAR_CODE_NO> (1,113)
3908748

$$$$
WAY-383399
csChFnd80/06171916322D

 31 35  0  0  0  0  0  0  0  0999 V2000
    9.3500  -10.4042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.3917  -11.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3917  -12.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9917   -8.4250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3750   -9.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5542  -12.5792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3000  -11.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2625  -11.5792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3500  -12.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3000  -12.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5500  -10.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7042   -8.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3125   -9.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7417   -7.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0750  -10.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8542  -10.9417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6750   -9.2042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9792  -13.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2500  -12.8625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2167   -6.2042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8500   -7.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0542   -9.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7125  -10.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0250   -7.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2125  -14.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1792  -13.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5792   -7.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1917   -8.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6125  -15.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6292  -15.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8417  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8 11  2  0  0  0  0
  9 10  1  0  0  0  0
 10  7  2  0  0  0  0
 11  2  1  0  0  0  0
 12 13  2  0  0  0  0
 13  1  1  0  0  0  0
 14  4  1  0  0  0  0
 15  7  1  0  0  0  0
 16 15  3  0  0  0  0
 17  5  2  0  0  0  0
 18  6  1  0  0  0  0
 19 10  1  0  0  0  0
 20 14  2  0  0  0  0
 21 12  1  0  0  0  0
 22 13  1  0  0  0  0
 23 11  1  0  0  0  0
 24 14  1  0  0  0  0
 25 18  1  0  0  0  0
 26 18  2  0  0  0  0
 27 28  1  0  0  0  0
 28 22  2  0  0  0  0
 29 26  1  0  0  0  0
 30 25  2  0  0  0  0
 31 29  2  0  0  0  0
  4 12  1  0  0  0  0
  9  3  1  0  0  0  0
  6  8  1  0  0  0  0
 21 27  2  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (1,114)
1114

>  <Formula> (1,114)
C23H17N5O3

>  <MolWeight> (1,114)
411.41278

>  <COMPOUND_NAME> (1,114)
WAY-383399

>  <BAR_CODE_NO> (1,114)
2545614

$$$$
WAY-383439
csChFnd80/06171916322D

 30 32  0  0  0  0  0  0  0  0999 V2000
    5.2792   -9.1542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.2792   -6.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0042   -7.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2792   -8.3292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2917   -5.8375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9917   -7.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2667   -9.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3250   -3.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4542   -9.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1042   -9.1542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5667   -7.0667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792   -5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0125   -5.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3167   -4.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6167   -2.9375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0167   -4.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5917   -4.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9875  -10.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5542  -10.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2667  -11.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0417   -2.9542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7167   -6.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9792  -11.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5542  -11.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2542  -12.4542    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.7125   -8.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0500   -2.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4292   -7.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4292   -7.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7667   -1.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  6  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  1  1  0  0  0  0
  8 14  1  0  0  0  0
  9  1  2  0  0  0  0
 10  1  2  0  0  0  0
 11  2  2  0  0  0  0
 12  5  1  0  0  0  0
 13  5  1  0  0  0  0
 14 16  1  0  0  0  0
 15  8  2  0  0  0  0
 16 13  1  0  0  0  0
 17 12  1  0  0  0  0
 18  7  1  0  0  0  0
 19  7  2  0  0  0  0
 20 24  2  0  0  0  0
 21  8  1  0  0  0  0
 22  3  2  0  0  0  0
 23 18  2  0  0  0  0
 24 19  1  0  0  0  0
 25 20  1  0  0  0  0
 26  6  2  0  0  0  0
 27 21  1  0  0  0  0
 28 29  2  0  0  0  0
 29 26  1  0  0  0  0
 30 27  1  0  0  0  0
 20 23  1  0  0  0  0
 28 22  1  0  0  0  0
 14 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,115)
1115

>  <Formula> (1,115)
C21H23FN2O5S

>  <MolWeight> (1,115)
434.4811232

>  <COMPOUND_NAME> (1,115)
WAY-383439

>  <BAR_CODE_NO> (1,115)
2545835

$$$$
WAY-383810
csChFnd80/06171916322D

 33 36  0  0  0  0  0  0  0  0999 V2000
    5.8667   -4.0917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8125   -6.3542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8292   -3.3042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.1625   -3.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0417   -4.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5167   -2.8542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3667   -5.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6125   -2.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2792   -4.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6250   -5.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2542   -6.9667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0250   -4.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4292   -5.9167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1917   -6.7917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6875   -5.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4542   -5.2625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9667   -3.1750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5167   -4.7292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1917   -5.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8167   -2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3375   -3.9667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2542   -4.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2500   -3.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5125   -4.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4292   -5.0042    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.1917   -1.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4625   -3.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9417   -7.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0000   -6.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2500   -2.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6042   -1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9792   -1.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1792   -0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  1  0  0  0  0
  3  5  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7 10  2  0  0  0  0
  8  3  1  0  0  0  0
  9  1  1  0  0  0  0
 10 19  1  0  0  0  0
 11  2  1  0  0  0  0
 12  9  1  0  0  0  0
 13  2  2  0  0  0  0
 14  2  2  0  0  0  0
 15 22  2  0  0  0  0
 16 12  1  0  0  0  0
 17  4  2  0  0  0  0
 18  5  2  0  0  0  0
 19 16  1  0  0  0  0
 20  8  2  0  0  0  0
 21 12  2  0  0  0  0
 22 24  1  0  0  0  0
 23  3  1  0  0  0  0
 24 19  2  0  0  0  0
 25 15  1  0  0  0  0
 26  8  1  0  0  0  0
 27 23  1  0  0  0  0
 28 11  1  0  0  0  0
 29 11  1  0  0  0  0
 30 27  1  0  0  0  0
 31 20  1  0  0  0  0
 32 26  2  0  0  0  0
 33 32  1  0  0  0  0
  3  6  1  0  0  0  0
 20 30  1  0  0  0  0
 33 31  2  0  0  0  0
 15  7  1  0  0  0  0
M  END
>  <Mol_ID> (1,116)
1116

>  <Formula> (1,116)
C22H23ClN4O5S

>  <MolWeight> (1,116)
490.95982

>  <COMPOUND_NAME> (1,116)
WAY-383810

>  <BAR_CODE_NO> (1,116)
2545924

$$$$
WAY-383848
csChFnd80/06171916322D

 30 34  0  0  0  0  0  0  0  0999 V2000
   -0.7480    0.2758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7480    1.2585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1900   -0.0380    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6100   -0.2173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1900    1.5585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6100    1.7585    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7762    0.7758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5244   -0.9863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4480    0.2758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5244    2.5137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4480    1.2585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7762    0.7758    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1238   -1.7380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3100   -0.2173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8762    3.4585    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3100    1.7585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2417   -0.0863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0894   -1.5380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1900   -2.6553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1721    0.2758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1721    1.2585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2417   -0.0863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7762   -0.9173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7480   -2.2863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4480   -3.3898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7244    0.7758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9037   -0.7898    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4100   -3.2173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6796    0.5758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7796   -0.3898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  2  0  0  0  0
 10 15  3  0  0  0  0
 11 16  2  0  0  0  0
 12 17  1  0  0  0  0
 13 18  2  0  0  0  0
 13 19  1  0  0  0  0
 14 20  1  0  0  0  0
 16 21  1  0  0  0  0
 17 22  1  0  0  0  0
 17 23  2  0  0  0  0
 18 24  1  0  0  0  0
 19 25  2  0  0  0  0
 22 26  2  0  0  0  0
 22 27  1  0  0  0  0
 24 28  2  0  0  0  0
 26 29  1  0  0  0  0
 27 30  1  0  0  0  0
  5  7  2  0  0  0  0
  9 11  1  0  0  0  0
 20 21  2  0  0  0  0
 25 28  1  0  0  0  0
 29 30  2  0  0  0  0
M  END
>  <Mol_ID> (1,117)
1117

>  <Formula> (1,117)
C23H15N5O2

>  <MolWeight> (1,117)
393.3975

>  <COMPOUND_NAME> (1,117)
WAY-383848

>  <BAR_CODE_NO> (1,117)
2546132

$$$$
WAY-383858
csChFnd80/06171916322D

 30 32  0  0  0  0  0  0  0  0999 V2000
    8.8292   -6.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6125   -6.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9417   -7.2875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.8292   -7.2792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.0917   -6.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9667   -6.4625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6042   -7.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1125   -6.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6792   -6.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8750   -5.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4000   -6.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2625   -6.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5417   -6.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7667   -7.3167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3167   -8.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8375   -6.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8417   -5.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2750   -5.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3167   -4.8167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4000   -7.2875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5667   -4.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2167   -7.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6792   -5.2667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8917   -6.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9292   -8.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1167   -6.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1375   -4.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9292   -4.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2250   -7.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7417   -8.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  6  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  9  1  0  0  0  0
  7  4  1  0  0  0  0
  8  1  1  0  0  0  0
  9 11  1  0  0  0  0
 10  2  1  0  0  0  0
 11  8  1  0  0  0  0
 12  6  1  0  0  0  0
 13 12  1  0  0  0  0
 14  3  2  0  0  0  0
 15  3  2  0  0  0  0
 16 13  2  0  0  0  0
 17 21  2  0  0  0  0
 18 12  2  0  0  0  0
 19 10  2  0  0  0  0
 20 11  2  0  0  0  0
 21 18  1  0  0  0  0
 22  3  1  0  0  0  0
 23 10  1  0  0  0  0
 24  5  1  0  0  0  0
 25  7  1  0  0  0  0
 26 16  1  0  0  0  0
 27 17  1  0  0  0  0
 28 23  1  0  0  0  0
 29 24  1  0  0  0  0
 30 25  1  0  0  0  0
  7  5  2  0  0  0  0
 30 29  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,118)
1118

>  <Formula> (1,118)
C21H26N2O5S2

>  <MolWeight> (1,118)
450.57154

>  <COMPOUND_NAME> (1,118)
WAY-383858

>  <BAR_CODE_NO> (1,118)
2546131

$$$$
WAY-383469
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
    5.6667   -5.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1542   -6.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6667   -6.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9292   -4.8167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8792   -5.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8792   -6.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7292   -4.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3667   -4.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2667   -2.9792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9875   -3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9875   -6.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4875   -2.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000   -1.4667    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.4292   -3.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8000   -3.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0500   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6792   -2.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1542   -5.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1542   -7.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0667   -2.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0042   -3.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5542   -4.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6292   -3.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4500   -5.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4500   -6.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  2  0  0  0  0
  7  4  1  0  0  0  0
  8  4  1  0  0  0  0
  9 20  2  0  0  0  0
 10  7  1  0  0  0  0
 11  2  1  0  0  0  0
 12 16  2  0  0  0  0
 13 12  1  0  0  0  0
 14 10  1  0  0  0  0
 15 10  2  0  0  0  0
 16 15  1  0  0  0  0
 17 14  2  0  0  0  0
 18  5  1  0  0  0  0
 19  6  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  2  0  0  0  0
 22  8  1  0  0  0  0
 23  8  2  0  0  0  0
 24 18  2  0  0  0  0
 25 24  1  0  0  0  0
  6  3  1  0  0  0  0
 25 19  2  0  0  0  0
  9 21  1  0  0  0  0
 12 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,119)
1119

>  <Formula> (1,119)
C21H18FN3

>  <MolWeight> (1,119)
331.3861232

>  <COMPOUND_NAME> (1,119)
WAY-383469

>  <BAR_CODE_NO> (1,119)
2546041

$$$$
WAY-383487
csChFnd80/06171916322D

 21 22  0  0  0  0  0  0  0  0999 V2000
    8.8292    5.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9250    3.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8125    7.1292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.7042    5.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9042    5.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8042    3.5875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6542    5.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4375    7.7042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8542    7.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9500    7.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000    4.2125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.1542    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8667    5.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8917    8.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9292    5.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9417    8.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8792    3.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7417    1.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6542    2.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4792    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  1  1  0  0  0  0
  4  7  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  2  0  0  0  0
  7  2  1  0  0  0  0
  8  4  2  0  0  0  0
  9  3  1  0  0  0  0
 10 16  1  0  0  0  0
 11  4  1  0  0  0  0
 12 10  1  0  0  0  0
 13  9  2  0  0  0  0
 14  9  1  0  0  0  0
 15 13  1  0  0  0  0
 16 14  2  0  0  0  0
 17  2  1  0  0  0  0
 18  2  1  0  0  0  0
 19 18  1  0  0  0  0
 20 17  1  0  0  0  0
 21 19  1  0  0  0  0
 15 10  2  0  0  0  0
 21 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,120)
1120

>  <Formula> (1,120)
C16H20FNO3

>  <MolWeight> (1,120)
293.3333032

>  <COMPOUND_NAME> (1,120)
WAY-383487

>  <BAR_CODE_NO> (1,120)
2546231

$$$$
WAY-383490
csChFnd80/06171916322D

 21 22  0  0  0  0  0  0  0  0999 V2000
    4.2167   -6.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2167   -5.3375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6250   -6.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9792   -6.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4000   -5.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3875   -6.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6542   -7.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4917   -7.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9042   -8.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9792   -4.6042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9042   -6.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9750   -7.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7292   -8.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2500   -8.2750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4667   -6.0542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6250   -4.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1500   -6.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1417   -7.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4917   -9.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.7292   -6.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9792   -7.5625    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  2  0  0  0  0
  4  6  1  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  5  2  0  0  0  0
 11  8  2  0  0  0  0
 12  6  2  0  0  0  0
 13  9  2  0  0  0  0
 14  7  2  0  0  0  0
 15  3  1  0  0  0  0
 16  2  1  0  0  0  0
 17  4  1  0  0  0  0
 18 20  2  0  0  0  0
 19  9  1  0  0  0  0
 20 11  1  0  0  0  0
 21 18  1  0  0  0  0
  2  5  1  0  0  0  0
 13 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,121)
1121

>  <Formula> (1,121)
C13H11F2N3O3

>  <MolWeight> (1,121)
295.2415464

>  <COMPOUND_NAME> (1,121)
WAY-383490

>  <BAR_CODE_NO> (1,121)
2546234

$$$$
WAY-383515
csChFnd80/06171916322D

 23 26  0  0  0  0  0  0  0  0999 V2000
    1.1151   -0.7036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1676   -1.0519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4703    0.5723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0634   -1.6415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0780   -0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5228   -2.2829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8220    0.6274    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5634    1.5102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2117   -1.0519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7082   -2.8691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3883   -0.4105    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7228    1.1585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3979   -3.2657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4393    1.8033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3324   -1.7898    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6883    0.9136    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1366   -1.6898    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7021   -0.6553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7496    1.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8986    1.9998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9400    1.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6883    3.0309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9400    2.6826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  2  0  0  0  0
  7 14  1  0  0  0  0
  9 15  2  0  0  0  0
 11 16  1  0  0  0  0
 11 17  2  0  0  0  0
 11 18  2  0  0  0  0
 14 19  1  0  0  0  0
 16 20  1  0  0  0  0
 16 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
  7  9  1  0  0  0  0
  8 12  2  0  0  0  0
 10 13  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,122)
1122

>  <Formula> (1,122)
C17H18N2O3S

>  <MolWeight> (1,122)
330.40142

>  <COMPOUND_NAME> (1,122)
WAY-383515

>  <BAR_CODE_NO> (1,122)
2546358

$$$$
WAY-383564
csChFnd80/06171916322D

 23 26  0  0  0  0  0  0  0  0999 V2000
   -1.1208   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9000    0.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208    0.0458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9000   -0.4792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6958    0.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458   -0.4875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1000   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0708    0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1708   -0.5375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2125    0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333    0.5333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500   -0.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4625   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4333    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1375    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7708   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7500    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292    0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4500    0.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042    0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  2  0  0  0  0
  8  2  1  0  0  0  0
  9  8  1  0  0  0  0
 10  7  1  0  0  0  0
 11  5  2  0  0  0  0
 12  4  1  0  0  0  0
 13  3  1  0  0  0  0
 14  8  1  0  0  0  0
 15  9  1  0  0  0  0
 16 10  1  0  0  0  0
 17 12  2  0  0  0  0
 18 12  1  0  0  0  0
 19 15  2  0  0  0  0
 20 16  2  0  0  0  0
 21 18  2  0  0  0  0
 22 17  1  0  0  0  0
 23 21  1  0  0  0  0
  4  5  1  0  0  0  0
 10  9  2  0  0  0  0
 20 19  1  0  0  0  0
 23 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,123)
1123

>  <Formula> (1,123)
C17H14N4S2

>  <MolWeight> (1,123)
338.44986

>  <COMPOUND_NAME> (1,123)
WAY-383564

>  <BAR_CODE_NO> (1,123)
2546531

$$$$
WAY-383566
csChFnd80/06171916322D

 16 17  0  0  0  0  0  0  0  0999 V2000
    1.1542    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792    1.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5375    0.2708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0792    1.1333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167    0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5500    0.7625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792    1.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0725    2.4650    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6375    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7000    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375    1.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2500    0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958    1.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3833    0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1792    0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6375   -0.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  7  3  0  0  0  0
  9  5  1  0  0  0  0
 10 14  1  0  0  0  0
 11  6  1  0  0  0  0
 12  6  1  0  0  0  0
 13 11  1  0  0  0  0
 14 12  1  0  0  0  0
 15  9  1  0  0  0  0
 16  9  1  0  0  0  0
  4  5  2  0  0  0  0
 10 13  1  0  0  0  0
M  END
>  <Mol_ID> (1,124)
1124

>  <Formula> (1,124)
C11H15N3O2

>  <MolWeight> (1,124)
221.2557

>  <COMPOUND_NAME> (1,124)
WAY-383566

>  <BAR_CODE_NO> (1,124)
2546509

$$$$
WAY-383587
csChFnd80/06171916322D

 29 31  0  0  0  0  0  0  0  0999 V2000
    4.1417    2.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3000    0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2792   -1.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0792    2.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5625  -13.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7042    0.6458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4125   -3.6167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3750  -11.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0542   -1.3667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5542    0.5583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9750  -13.9417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042    3.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3417   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8875   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6167   -9.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1500   -5.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5708    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8250    3.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9375   -0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3083    0.7000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.4917   -7.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0417   -9.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7625   -5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3125   -7.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4500    3.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7292    4.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3292  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2542    5.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0542    6.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3 14  1  0  0  0  0
  4  1  1  0  0  0  0
  5  8  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8 15  1  0  0  0  0
  9  2  2  0  0  0  0
 10  3  2  0  0  0  0
 11  5  2  0  0  0  0
 12  4  1  0  0  0  0
 13  4  2  0  0  0  0
 14  6  1  0  0  0  0
 15 22  1  0  0  0  0
 16  7  1  0  0  0  0
 17 19  2  0  0  0  0
 18 12  2  0  0  0  0
 19 13  1  0  0  0  0
 20 17  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 16  2  0  0  0  0
 24 16  1  0  0  0  0
 25  1  1  0  0  0  0
 26  1  1  0  0  0  0
 27  5  1  0  0  0  0
 28 25  1  0  0  0  0
 29 26  1  0  0  0  0
 29 28  1  0  0  0  0
 17 18  1  0  0  0  0
 15 21  2  0  0  0  0
M  END
>  <Mol_ID> (1,125)
1125

>  <Formula> (1,125)
C22H23ClN2O4

>  <MolWeight> (1,125)
414.88202

>  <COMPOUND_NAME> (1,125)
WAY-383587

>  <BAR_CODE_NO> (1,125)
2545662

$$$$
WAY-383645
csChFnd80/06171916322D

 30 32  0  0  0  0  0  0  0  0999 V2000
   -1.9083   -0.8792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7958   -0.8625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1958   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0833   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7458    0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8958    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208   -1.7417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5667   -0.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4833    0.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1833    1.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0208    1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042    0.5750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5958   -0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5958   -1.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042   -0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8917   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792   -0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792   -1.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3375    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2042    0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5458   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8583    0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4208    2.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6375    1.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6375   -0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5042    1.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5042   -0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9542    0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  3  2  0  0  0  0
  6  1  1  0  0  0  0
  7  1  2  0  0  0  0
  8  1  2  0  0  0  0
  9 10  1  0  0  0  0
 10 17  1  0  0  0  0
 11  4  2  0  0  0  0
 12  5  1  0  0  0  0
 13 12  2  0  0  0  0
 14  9  2  0  0  0  0
 15  6  2  0  0  0  0
 16  6  1  0  0  0  0
 17 20  1  0  0  0  0
 18  9  1  0  0  0  0
 19 15  1  0  0  0  0
 20 16  2  0  0  0  0
 21 18  1  0  0  0  0
 22 21  1  0  0  0  0
 23  4  1  0  0  0  0
 24  5  1  0  0  0  0
 25 13  1  0  0  0  0
 26 22  2  0  0  0  0
 27 22  1  0  0  0  0
 28 26  1  0  0  0  0
 29 27  2  0  0  0  0
 30 29  1  0  0  0  0
 19 17  2  0  0  0  0
 11 13  1  0  0  0  0
 28 30  2  0  0  0  0
M  END
>  <Mol_ID> (1,126)
1126

>  <Formula> (1,126)
C24H26N2O3S

>  <MolWeight> (1,126)
422.53984

>  <COMPOUND_NAME> (1,126)
WAY-383645

>  <BAR_CODE_NO> (1,126)
2545883

$$$$
WAY-383651
csChFnd80/06171916322D

 29 31  0  0  0  0  0  0  0  0999 V2000
   -1.2958    1.3958    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.6167    0.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1625    1.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1792    1.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4875    0.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000    0.5125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2833    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917   -0.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9375   -0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0375    2.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5833    0.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042    1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4708   -0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8500    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8000   -0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4500    0.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1625   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8958   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5958   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9583   -1.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9042    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7792    1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2292    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8208   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500   -0.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5 14  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  2  0  0  0  0
  8  1  2  0  0  0  0
  9  2  2  0  0  0  0
 10  6  1  0  0  0  0
 11  4  2  0  0  0  0
 12  4  1  0  0  0  0
 13  3  1  0  0  0  0
 14 17  1  0  0  0  0
 15 22  2  0  0  0  0
 16 11  1  0  0  0  0
 17 12  2  0  0  0  0
 18 10  2  0  0  0  0
 19 13  1  0  0  0  0
 20 13  2  0  0  0  0
 21 19  2  0  0  0  0
 22 20  1  0  0  0  0
 23 15  1  0  0  0  0
 24  6  2  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 27 23  1  0  0  0  0
 28 18  1  0  0  0  0
 29 27  1  0  0  0  0
 16 14  2  0  0  0  0
 15 21  1  0  0  0  0
 18 26  1  0  0  0  0
M  END
>  <Mol_ID> (1,127)
1127

>  <Formula> (1,127)
C22H22N2O4S

>  <MolWeight> (1,127)
410.48608

>  <COMPOUND_NAME> (1,127)
WAY-383651

>  <BAR_CODE_NO> (1,127)
2545889

$$$$
WAY-383705
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
    3.7917  -12.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0792  -13.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3667  -11.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7917  -11.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3667  -12.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0792  -11.5792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5042  -13.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2250  -12.8167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542  -11.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542  -13.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9375  -13.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0792  -14.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9375  -11.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5042  -14.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9375  -12.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9375  -14.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2167  -14.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5167  -11.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167  -11.5792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542  -10.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6500  -12.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6500  -14.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5167  -10.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3667  -13.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3667  -14.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  6  1  0  0  0  0
  4  1  2  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  2  0  0  0  0
  9  3  2  0  0  0  0
 10  5  2  0  0  0  0
 11  8  1  0  0  0  0
 12  2  2  0  0  0  0
 13  9  1  0  0  0  0
 14  7  1  0  0  0  0
 15 10  1  0  0  0  0
 16 17  1  0  0  0  0
 17 14  2  0  0  0  0
 18  4  1  0  0  0  0
 19 13  1  0  0  0  0
 20  9  1  0  0  0  0
 21 11  1  0  0  0  0
 22 16  1  0  0  0  0
 23 18  1  0  0  0  0
 24 21  2  0  0  0  0
 25 22  2  0  0  0  0
  3  5  1  0  0  0  0
 16 11  2  0  0  0  0
 13 15  2  0  0  0  0
 25 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,128)
1128

>  <Formula> (1,128)
C21H17NO3

>  <MolWeight> (1,128)
331.36458

>  <COMPOUND_NAME> (1,128)
WAY-383705

>  <BAR_CODE_NO> (1,128)
2545949

$$$$
WAY-383715
csChFnd80/06171916322D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -0.0208   -0.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2625    0.0958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8500   -0.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8500    0.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208    0.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3917    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000   -1.3417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2750    1.5250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    0.0958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708   -1.3417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0875    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2292   -1.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6417   -0.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6417   -2.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5000   -0.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3333   -0.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7458   -1.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4667   -0.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4667   -2.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8792   -1.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  7  1  1  0  0  0  0
  8  4  2  0  0  0  0
  9  6  2  0  0  0  0
 10  3  1  0  0  0  0
 11  2  1  0  0  0  0
 12  7  1  0  0  0  0
 13 12  1  0  0  0  0
 14 12  2  0  0  0  0
 15 11  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 13  2  0  0  0  0
 19 14  1  0  0  0  0
 20 19  2  0  0  0  0
  4  2  1  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,129)
1129

>  <Formula> (1,129)
C14H17N3O2S

>  <MolWeight> (1,129)
291.36868

>  <COMPOUND_NAME> (1,129)
WAY-383715

>  <BAR_CODE_NO> (1,129)
2545944

$$$$
WAY-383724
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
    2.0042    0.9708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0250   -0.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333    0.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9917   -2.5750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0708   -0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458   -2.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0792   -0.8250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0542    2.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0500    2.7583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3417   -2.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4125   -6.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2167   -8.5792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4167   -4.5750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.0792   -5.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4792   -8.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4042   -0.8292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1542   -2.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0417    4.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1042    2.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5042   -6.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1250    6.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1083   -0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0667    6.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1417    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1625    8.0417    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833   -4.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1458   -2.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1333   -4.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  2  1  0  0  0  0
  8  1  1  0  0  0  0
  9  3  2  0  0  0  0
 10 18  1  0  0  0  0
 11 21  1  0  0  0  0
 12 11  1  0  0  0  0
 13 10  1  0  0  0  0
 14 11  2  0  0  0  0
 15 12  1  0  0  0  0
 16 14  1  0  0  0  0
 17 10  2  0  0  0  0
 18  7  1  0  0  0  0
 19  8  1  0  0  0  0
 20  8  2  0  0  0  0
 21 13  1  0  0  0  0
 22 25  2  0  0  0  0
 23  5  2  0  0  0  0
 24 19  2  0  0  0  0
 25 20  1  0  0  0  0
 26 22  1  0  0  0  0
 27  6  2  0  0  0  0
 28 23  1  0  0  0  0
 29 28  2  0  0  0  0
 24 22  1  0  0  0  0
  6  4  1  0  0  0  0
 29 27  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <Mol_ID> (1,130)
1130

>  <Formula> (1,130)
C21H16FN3O3S

>  <MolWeight> (1,130)
409.4334432

>  <COMPOUND_NAME> (1,130)
WAY-383724

>  <BAR_CODE_NO> (1,130)
2545775

$$$$
WAY-383733
csChFnd80/06171916322D

 21 22  0  0  0  0  0  0  0  0999 V2000
    1.4009    1.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4457   -0.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4974    1.5276    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4215    1.6862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5629   -0.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5353   -0.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2078    0.6242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5750    1.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9698   -1.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6974   -1.8344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2785   -0.3310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3560    0.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5509    1.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5750    0.1552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2095   -2.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5336    0.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0509   -3.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5922    1.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6336   -0.1620    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3336    0.5587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7612   -0.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  2  0  0  0  0
 10 15  1  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
  5  7  2  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (1,131)
1131

>  <Formula> (1,131)
C15H17NO3S2

>  <MolWeight> (1,131)
323.43038

>  <COMPOUND_NAME> (1,131)
WAY-383733

>  <BAR_CODE_NO> (1,131)
2545763

$$$$
WAY-383864
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
   11.0042   -6.3667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7542   -9.2125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.2042   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6667   -6.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1375   -2.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1292   -4.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0792   -9.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5542   -7.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8917   -0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5792   -3.4917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.9750   -3.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4292   -4.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9292   -3.4375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0750    0.5833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000   -0.7292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5667   -2.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5292   -7.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4500   -4.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2792  -10.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2250   -7.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2250   -4.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8167   -3.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1167   -4.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7292   -9.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6167  -10.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6292   -4.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  8  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5 11  2  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  2  0  0  0  0
  9  5  1  0  0  0  0
 10 12  1  0  0  0  0
 11 10  1  0  0  0  0
 12  6  1  0  0  0  0
 13  6  2  0  0  0  0
 14  9  2  0  0  0  0
 15  9  1  0  0  0  0
 16  5  1  0  0  0  0
 17  3  2  0  0  0  0
 18  4  1  0  0  0  0
 19  7  2  0  0  0  0
 20  8  1  0  0  0  0
 21 11  1  0  0  0  0
 22 27  1  0  0  0  0
 23 18  2  0  0  0  0
 24 17  1  0  0  0  0
 25 23  1  0  0  0  0
 26 24  2  0  0  0  0
 27 21  2  0  0  0  0
  7  2  1  0  0  0  0
 25 20  2  0  0  0  0
 19 26  1  0  0  0  0
 22 16  2  0  0  0  0
M  END
>  <Mol_ID> (1,132)
1132

>  <Formula> (1,132)
C21H15NO3S2

>  <MolWeight> (1,132)
393.4787

>  <COMPOUND_NAME> (1,132)
WAY-383864

>  <BAR_CODE_NO> (1,132)
2545899

$$$$
WAY-383949
csChFnd80/06171916322D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -2.1571   -0.7523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1571   -2.0523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9261   -0.3592    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2743   -0.1040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9261   -2.4523    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2743   -2.7040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1640   -1.4178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4088   -0.7523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4088   -2.0523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0636   -1.4454    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0670    0.1684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0601    1.4650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3601    0.1753    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1774    2.1133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5774    3.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2291    1.3546    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.8808    3.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2808    2.1133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
  5  7  1  0  0  0  0
  8  9  2  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (1,133)
1133

>  <Formula> (1,133)
C13H10N2OS2

>  <MolWeight> (1,133)
274.3613

>  <COMPOUND_NAME> (1,133)
WAY-383949

>  <BAR_CODE_NO> (1,133)
2546012

$$$$
WAY-383985
csChFnd80/06171916322D

 21 22  0  0  0  0  0  0  0  0999 V2000
    5.6167   -3.4667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9167   -2.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6167   -3.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1167   -1.9167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2250   -4.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2125   -4.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1875   -8.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3042   -2.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8042   -4.9625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6250   -7.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7917   -2.1792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0542   -4.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5917   -3.2750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4792   -7.8542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6292   -7.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0167   -6.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000   -5.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8042   -8.9167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3917   -5.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0167   -6.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5792   -9.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7 10  1  0  0  0  0
  8  3  1  0  0  0  0
  9  6  1  0  0  0  0
 10 15  2  0  0  0  0
 11  2  2  0  0  0  0
 12  3  2  0  0  0  0
 13  6  2  0  0  0  0
 14  7  2  0  0  0  0
 15 20  1  0  0  0  0
 16 19  2  0  0  0  0
 17  9  1  0  0  0  0
 18  7  1  0  0  0  0
 19 17  1  0  0  0  0
 20 17  2  0  0  0  0
 21 18  1  0  0  0  0
  4  8  1  0  0  0  0
 10 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,134)
1134

>  <Formula> (1,134)
C13H13N3O5

>  <MolWeight> (1,134)
291.25942

>  <COMPOUND_NAME> (1,134)
WAY-383985

>  <BAR_CODE_NO> (1,134)
2546043

$$$$
WAY-384061
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   12.8000   -8.3667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917   -3.0917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7875   -4.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8042   -8.3875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.1792  -10.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8042   -6.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7917   -3.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7667   -6.5792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8000  -11.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4167  -10.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7750   -4.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7917   -4.8667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7667   -6.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7792   -6.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8000   -4.9042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7792   -1.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3500  -11.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5875  -13.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7292   -8.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1292  -13.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7542  -14.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3 12  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  2  0  0  0  0
  8  3  2  0  0  0  0
  9  5  2  0  0  0  0
 10  4  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13  8  1  0  0  0  0
 14  6  1  0  0  0  0
 15  6  2  0  0  0  0
 16  7  1  0  0  0  0
 17  4  1  0  0  0  0
 18  5  1  0  0  0  0
 19  9  1  0  0  0  0
 20 13  1  0  0  0  0
 21 18  2  0  0  0  0
 22 21  1  0  0  0  0
  9 10  1  0  0  0  0
 22 19  2  0  0  0  0
  7 11  1  0  0  0  0
M  END
>  <Mol_ID> (1,135)
1135

>  <Formula> (1,135)
C16H17N3O2S

>  <MolWeight> (1,135)
315.39008

>  <COMPOUND_NAME> (1,135)
WAY-384061

>  <BAR_CODE_NO> (1,135)
2546108

$$$$
WAY-384083
csChFnd80/06171916322D

 32 35  0  0  0  0  0  0  0  0999 V2000
    7.4042    3.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0042    3.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2042    3.6458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5042    4.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1042    4.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6500    8.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2167    6.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3125    4.8792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875    4.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1000    2.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2417    8.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3417    7.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4917    2.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5292    7.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6375    6.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3250    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3000    2.4458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3167    3.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3292    6.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9792    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9917    6.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3667    9.7292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5542    9.7292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7417    7.2417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3917    1.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1875    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7750    9.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1417    9.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4542    8.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0792    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4792    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3 13  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  2  0  0  0  0
  6 12  2  0  0  0  0
  7  4  1  0  0  0  0
  8  2  1  0  0  0  0
  9  8  1  0  0  0  0
 10  1  1  0  0  0  0
 11 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 10  1  0  0  0  0
 14  7  1  0  0  0  0
 15  7  2  0  0  0  0
 16 21  1  0  0  0  0
 17  2  2  0  0  0  0
 18  9  1  0  0  0  0
 19  9  1  0  0  0  0
 20 18  1  0  0  0  0
 21 19  1  0  0  0  0
 22  6  1  0  0  0  0
 23 11  1  0  0  0  0
 24 12  1  0  0  0  0
 25 16  1  0  0  0  0
 26 10  2  0  0  0  0
 27 13  2  0  0  0  0
 28 22  1  0  0  0  0
 29 23  1  0  0  0  0
 30 24  1  0  0  0  0
 31 26  1  0  0  0  0
 32 31  2  0  0  0  0
  3  4  2  0  0  0  0
 27 32  1  0  0  0  0
  6 11  1  0  0  0  0
 20 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,136)
1136

>  <Formula> (1,136)
C24H28N4O4

>  <MolWeight> (1,136)
436.50352

>  <COMPOUND_NAME> (1,136)
WAY-384083

>  <BAR_CODE_NO> (1,136)
2546164

$$$$
WAY-384117
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
    4.8625   -4.6042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0917   -3.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5292   -3.5167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1542   -4.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9500   -3.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0625   -5.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9500   -5.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3542   -5.6917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2542   -5.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3500   -4.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7667   -3.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4667   -6.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2417   -4.4792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1625   -6.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9250   -3.0500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0417   -4.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1792   -6.8417    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.4542   -5.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3417   -4.2792    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.4000   -2.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750   -5.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2625   -3.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7250   -2.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5542   -1.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9792   -4.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7750   -4.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0375   -1.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000   -2.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3625   -1.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8  7  1  0  0  0  0
  9  1  1  0  0  0  0
 10  6  1  0  0  0  0
 11  2  1  0  0  0  0
 12  6  2  0  0  0  0
 13  7  2  0  0  0  0
 14 12  1  0  0  0  0
 15 11  1  0  0  0  0
 16 10  2  0  0  0  0
 17 12  1  0  0  0  0
 18 14  2  0  0  0  0
 19 16  1  0  0  0  0
 20 15  1  0  0  0  0
 21  4  1  0  0  0  0
 22  5  1  0  0  0  0
 23 20  2  0  0  0  0
 24 20  1  0  0  0  0
 25 21  2  0  0  0  0
 26 25  1  0  0  0  0
 27 24  2  0  0  0  0
 28 23  1  0  0  0  0
 29 27  1  0  0  0  0
  5  3  1  0  0  0  0
 26 22  2  0  0  0  0
 18 16  1  0  0  0  0
 29 28  2  0  0  0  0
M  END
>  <Mol_ID> (1,137)
1137

>  <Formula> (1,137)
C22H17Cl2N3O2

>  <MolWeight> (1,137)
426.29528

>  <COMPOUND_NAME> (1,137)
WAY-384117

>  <BAR_CODE_NO> (1,137)
2546306

$$$$
WAY-384156
csChFnd80/06171916322D

 29 31  0  0  0  0  0  0  0  0999 V2000
    6.0625    2.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9792    1.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3292    0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9667   -0.7542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0417   -1.4375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4750  -10.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5625   -9.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7375   -5.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8250   -3.4167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5667   -5.3042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8125   -7.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7292   -9.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7292   -1.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3625    2.9208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4750   -7.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5042    0.3333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.8167    0.3333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3667  -12.0542    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.3792  -12.8667    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.5917   -9.8750    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.5792   -1.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2500    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.1750    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.9000    0.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3583    3.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208    0.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3125   -0.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4583    3.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0125    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  2  0  0  0  0
  6  7  1  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  9 13  1  0  0  0  0
 10  8  2  0  0  0  0
 11  8  1  0  0  0  0
 12 11  2  0  0  0  0
 13 21  1  0  0  0  0
 14  2  1  0  0  0  0
 15 10  1  0  0  0  0
 16  3  1  0  0  0  0
 17 13  2  0  0  0  0
 18  6  1  0  0  0  0
 19  6  1  0  0  0  0
 20  6  1  0  0  0  0
 21 16  1  0  0  0  0
 22 14  1  0  0  0  0
 23 11  1  0  0  0  0
 24 27  2  0  0  0  0
 25 22  1  0  0  0  0
 26 22  2  0  0  0  0
 27 26  1  0  0  0  0
 28 25  2  0  0  0  0
 29 24  1  0  0  0  0
  4  5  1  0  0  0  0
 28 24  1  0  0  0  0
 15  7  2  0  0  0  0
M  END
>  <Mol_ID> (1,138)
1138

>  <Formula> (1,138)
C17H13ClF3N5OS2

>  <MolWeight> (1,138)
459.8962296

>  <COMPOUND_NAME> (1,138)
WAY-384156

>  <BAR_CODE_NO> (1,138)
2546255

$$$$
WAY-384162
csChFnd80/06171916322D

 20 21  0  0  0  0  0  0  0  0999 V2000
    2.2042   -4.3167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.5167   -3.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917   -2.3917    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.1792   -5.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0417  -12.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9917  -11.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0250  -14.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0500   -7.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1292   -5.9875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0417   -9.3125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9875   -9.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2167   -7.6792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0042   -5.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9167  -10.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9667  -14.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1042   -7.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0792  -12.7167    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   14.9167  -12.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9875  -16.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.1750   -0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  6  2  0  0  0  0
  6 11  1  0  0  0  0
  7  5  1  0  0  0  0
  8 16  1  0  0  0  0
  9  4  1  0  0  0  0
 10  8  1  0  0  0  0
 11 10  1  0  0  0  0
 12  4  2  0  0  0  0
 13  8  2  0  0  0  0
 14  6  1  0  0  0  0
 15 18  1  0  0  0  0
 16  9  1  0  0  0  0
 17  5  1  0  0  0  0
 18 14  2  0  0  0  0
 19 15  1  0  0  0  0
 20  3  1  0  0  0  0
  3  2  1  0  0  0  0
 15  7  2  0  0  0  0
M  END
>  <Mol_ID> (1,139)
1139

>  <Formula> (1,139)
C14H15Cl2NO3

>  <MolWeight> (1,139)
316.1798

>  <COMPOUND_NAME> (1,139)
WAY-384162

>  <BAR_CODE_NO> (1,139)
2546261

$$$$
WAY-384188
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
    2.9292   -4.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667   -5.1500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6000   -5.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5167   -5.9375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3417   -5.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9250   -3.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8250   -6.6042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792   -4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042   -3.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6292   -3.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3792   -4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8750   -5.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3125   -4.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3500   -3.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6167   -2.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292   -3.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0542   -3.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3292   -2.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0917   -5.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833   -4.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0500   -2.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  5  2  0  0  0  0
  8  2  1  0  0  0  0
  9  6  2  0  0  0  0
 10  6  1  0  0  0  0
 11  3  1  0  0  0  0
 12  8  1  0  0  0  0
 13  8  2  0  0  0  0
 14 10  2  0  0  0  0
 15 10  1  0  0  0  0
 16 13  1  0  0  0  0
 17 14  1  0  0  0  0
 18 15  2  0  0  0  0
 19 12  2  0  0  0  0
 20 16  2  0  0  0  0
 21 18  1  0  0  0  0
  5  4  1  0  0  0  0
 21 17  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,140)
1140

>  <Formula> (1,140)
C17H12O4

>  <MolWeight> (1,140)
280.27478

>  <COMPOUND_NAME> (1,140)
WAY-384188

>  <BAR_CODE_NO> (1,140)
2546857

$$$$
WAY-384317
csChFnd80/06171916322D

 24 27  0  0  0  0  0  0  0  0999 V2000
    6.2125   -4.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9167   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1417   -4.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8542   -4.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0750   -5.6292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7375   -4.8792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9375   -5.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7167   -3.7375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4667   -5.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1917   -3.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0542   -4.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0417   -3.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5417   -3.0417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3792   -4.4167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7250   -5.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2750   -5.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3417   -6.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4542   -5.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4292   -3.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2875   -5.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1417   -6.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6750   -6.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8167   -3.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8292   -4.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  2  0  0  0  0
  5  2  1  0  0  0  0
  6  3  2  0  0  0  0
  7  1  1  0  0  0  0
  8  3  1  0  0  0  0
  9  7  2  0  0  0  0
 10  4  1  0  0  0  0
 11  6  1  0  0  0  0
 12  8  1  0  0  0  0
 13 10  3  0  0  0  0
 14  2  2  0  0  0  0
 15  5  1  0  0  0  0
 16  7  1  0  0  0  0
 17  9  1  0  0  0  0
 18 11  1  0  0  0  0
 19 12  1  0  0  0  0
 20 15  1  0  0  0  0
 21 16  2  0  0  0  0
 22 21  1  0  0  0  0
 23 19  2  0  0  0  0
 24 18  2  0  0  0  0
  9  5  1  0  0  0  0
 17 22  2  0  0  0  0
 12 11  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,141)
1141

>  <Formula> (1,141)
C19H14N4O

>  <MolWeight> (1,141)
314.34066

>  <COMPOUND_NAME> (1,141)
WAY-384317

>  <BAR_CODE_NO> (1,141)
2546566

$$$$
WAY-384318
csChFnd80/06171916322D

 22 25  0  0  0  0  0  0  0  0999 V2000
    5.2375   -3.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4417   -3.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0375   -2.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2417   -2.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7042   -2.5792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0792   -1.6875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7042   -3.8667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3542   -1.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7667   -1.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0417   -3.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4625   -2.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4625   -3.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6417   -4.6167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7125   -3.0500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1042   -1.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9292   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1500   -2.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1500   -4.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2667   -0.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6792   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8417   -3.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8417   -2.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  1  2  0  0  0  0
  6  4  1  0  0  0  0
  7  1  1  0  0  0  0
  8  3  1  0  0  0  0
  9  8  1  0  0  0  0
 10  2  1  0  0  0  0
 11  5  1  0  0  0  0
 12  7  1  0  0  0  0
 13 10  3  0  0  0  0
 14  4  2  0  0  0  0
 15  8  2  0  0  0  0
 16  9  2  0  0  0  0
 17 11  1  0  0  0  0
 18 12  1  0  0  0  0
 19 15  1  0  0  0  0
 20 19  2  0  0  0  0
 21 18  2  0  0  0  0
 22 17  2  0  0  0  0
 12 11  2  0  0  0  0
 21 22  1  0  0  0  0
  9  6  1  0  0  0  0
 16 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,142)
1142

>  <Formula> (1,142)
C17H10N4O

>  <MolWeight> (1,142)
286.2875

>  <COMPOUND_NAME> (1,142)
WAY-384318

>  <BAR_CODE_NO> (1,142)
2546569

$$$$
WAY-384331
csChFnd80/06171916322D

 23 24  0  0  0  0  0  0  0  0999 V2000
    9.5417   -7.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2542   -6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7625   -7.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7292   -6.0542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5167   -6.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4417   -6.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2167   -7.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0292   -6.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9667   -6.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917   -6.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2042   -6.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0292   -7.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5542   -6.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1542   -8.4042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9667   -5.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5292   -8.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5417   -7.4792    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.9667   -7.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917   -5.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1750   -5.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7292   -6.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0292   -6.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7667   -6.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  2  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  6  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11  8  1  0  0  0  0
 12  6  2  0  0  0  0
 13 15  2  0  0  0  0
 14  7  2  0  0  0  0
 15 19  1  0  0  0  0
 16  3  1  0  0  0  0
 17  9  1  0  0  0  0
 18  7  1  0  0  0  0
 19 11  2  0  0  0  0
 20  5  1  0  0  0  0
 21 13  1  0  0  0  0
 22 18  1  0  0  0  0
 23 22  1  0  0  0  0
  2  4  1  0  0  0  0
 13  9  1  0  0  0  0
M  END
>  <Mol_ID> (1,143)
1143

>  <Formula> (1,143)
C17H19ClN2O3

>  <MolWeight> (1,143)
334.79736

>  <COMPOUND_NAME> (1,143)
WAY-384331

>  <BAR_CODE_NO> (1,143)
2546429

$$$$
WAY-384332
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
    6.4625   -4.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7042   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3250   -3.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8417   -5.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2542   -3.2917    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.5417   -3.1542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.6167   -3.9042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.8250   -3.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5792   -5.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3375   -5.1917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4125   -2.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0167   -3.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7792   -2.6125    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.4000   -2.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9500   -4.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4750   -5.8375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.5750   -3.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5292   -1.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7125   -4.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.2750   -4.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  2  0  0  0  0
  5  7  1  0  0  0  0
  6  5  1  0  0  0  0
  7  3  1  0  0  0  0
  8  1  1  0  0  0  0
  9  4  1  0  0  0  0
 10  2  2  0  0  0  0
 11  5  1  0  0  0  0
 12  6  1  0  0  0  0
 13 11  1  0  0  0  0
 14  6  1  0  0  0  0
 15 17  1  0  0  0  0
 16  4  1  0  0  0  0
 17  8  2  0  0  0  0
 18 13  1  0  0  0  0
 19 15  1  0  0  0  0
 20  7  1  0  0  0  0
  9 15  2  0  0  0  0
 13 12  1  0  0  0  0
 18 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,144)
1144

>  <Formula> (1,144)
C16H19ClFNO

>  <MolWeight> (1,144)
295.7795632

>  <COMPOUND_NAME> (1,144)
WAY-384332

>  <BAR_CODE_NO> (1,144)
2546408

$$$$
WAY-384385
csChFnd80/06171916322D

 19 20  0  0  0  0  0  0  0  0999 V2000
    4.8542   -7.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5167   -7.7792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1917   -7.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1167   -6.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0625   -7.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0042   -7.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9417   -6.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5625   -6.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3167   -6.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3750   -7.0417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8250   -6.7250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.2917   -8.3042    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.2667   -7.7500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.8667   -5.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5000   -5.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7917   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2417   -5.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6167   -4.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5292   -3.7167    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  2  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  8  2  0  0  0  0
 11  5  1  0  0  0  0
 12  5  1  0  0  0  0
 13  5  1  0  0  0  0
 14  9  2  0  0  0  0
 15  9  1  0  0  0  0
 16 17  1  0  0  0  0
 17 15  2  0  0  0  0
 18 14  1  0  0  0  0
 19 16  1  0  0  0  0
  7  3  2  0  0  0  0
 16 18  2  0  0  0  0
M  END
>  <Mol_ID> (1,145)
1145

>  <Formula> (1,145)
C10H6ClF3N4O

>  <MolWeight> (1,145)
290.6290496

>  <COMPOUND_NAME> (1,145)
WAY-384385

>  <BAR_CODE_NO> (1,145)
2546443

$$$$
WAY-384453
csChFnd80/06171916322D

 20 21  0  0  0  0  0  0  0  0999 V2000
    8.7641    3.6735    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9736    7.3870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5774    7.4217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6431    6.1659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0981    4.8807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9686    8.9116    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.4267    2.4612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3694    8.6982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4049    6.3740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6462    1.2557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.1841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9094    4.9744    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8023    6.0514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0428    6.1364    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7106    4.9137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2760    1.2904    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.8472    2.4247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3677    0.0330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5271    1.1829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7848    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  2  1  0  0  0  0
  4 14  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8  6  1  0  0  0  0
  9  3  2  0  0  0  0
 10  7  2  0  0  0  0
 11  9  1  0  0  0  0
 12  4  2  0  0  0  0
 13  5  2  0  0  0  0
 14 15  1  0  0  0  0
 15  5  1  0  0  0  0
 16 10  1  0  0  0  0
 17  7  1  0  0  0  0
 18 10  1  0  0  0  0
 19 17  2  0  0  0  0
 20 19  1  0  0  0  0
 18 20  2  0  0  0  0
  8 11  2  0  0  0  0
M  END
>  <Mol_ID> (1,146)
1146

>  <Formula> (1,146)
C14H12FNO3S

>  <MolWeight> (1,146)
293.3133832

>  <COMPOUND_NAME> (1,146)
WAY-384453

>  <BAR_CODE_NO> (1,146)
2546657

$$$$
WAY-384458
csChFnd80/06171916322D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -1.7311    0.9601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3936    1.5976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4939   -0.2607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8897   -0.9024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6353    0.3726    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3561    0.3601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2561   -0.2732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7603    2.1976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8564    0.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6439   -0.8857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6728    1.6101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4353    0.9476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5272   -1.5649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6936   -0.2649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0022   -0.2274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0314   -1.5232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7728    0.3226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4061   -0.2857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7522   -0.2149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7772   -1.5107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1397   -0.8524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  7  1  0  0  0  0
  4  3  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  7  5  1  0  0  0  0
  8  2  2  0  0  0  0
  9  3  2  0  0  0  0
 10  4  1  0  0  0  0
 11  2  1  0  0  0  0
 12  1  1  0  0  0  0
 13  4  1  0  0  0  0
 14  6  1  0  0  0  0
 15 10  1  0  0  0  0
 16 10  1  0  0  0  0
 17 12  2  0  0  0  0
 18 17  1  0  0  0  0
 19 15  1  0  0  0  0
 20 16  1  0  0  0  0
 21 20  1  0  0  0  0
 18 14  2  0  0  0  0
 21 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,147)
1147

>  <Formula> (1,147)
C16H21NO3S

>  <MolWeight> (1,147)
307.40784

>  <COMPOUND_NAME> (1,147)
WAY-384458

>  <BAR_CODE_NO> (1,147)
2546637

$$$$
WAY-384489
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
    5.4667   -0.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7500   -1.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4667   -1.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7500   -0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0375   -1.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0375   -0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7500   -2.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1875   -0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1875   -1.8917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7500    0.5875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4625   -3.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1792    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4625   -3.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4542   -5.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1750    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3250   -1.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3250   -0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7375   -4.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1750   -4.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9000    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4625    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8917    1.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7375   -5.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4542    1.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1750   -5.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4500   -6.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1667    3.0833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7375   -6.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4542    3.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6042   -1.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6042   -0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  6  1  0  0  0  0
  6  4  1  0  0  0  0
  7  2  2  0  0  0  0
  8  1  1  0  0  0  0
  9  3  2  0  0  0  0
 10  4  2  0  0  0  0
 11  7  1  0  0  0  0
 12  8  1  0  0  0  0
 13 11  1  0  0  0  0
 14 25  1  0  0  0  0
 15 24  1  0  0  0  0
 16  5  2  0  0  0  0
 17  6  2  0  0  0  0
 18 13  2  0  0  0  0
 19 13  1  0  0  0  0
 20 12  2  0  0  0  0
 21 12  1  0  0  0  0
 22 20  1  0  0  0  0
 23 18  1  0  0  0  0
 24 21  2  0  0  0  0
 25 19  2  0  0  0  0
 26 14  1  0  0  0  0
 27 15  1  0  0  0  0
 28 26  1  0  0  0  0
 29 27  1  0  0  0  0
 30 31  2  0  0  0  0
 31 17  1  0  0  0  0
  5  2  1  0  0  0  0
 15 22  2  0  0  0  0
 30 16  1  0  0  0  0
 23 14  2  0  0  0  0
M  END
>  <Mol_ID> (1,148)
1148

>  <Formula> (1,148)
C25H22N2O4

>  <MolWeight> (1,148)
414.45318

>  <COMPOUND_NAME> (1,148)
WAY-384489

>  <BAR_CODE_NO> (1,148)
2546620

$$$$
WAY-384515
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    1.2144   -0.3894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9144   -1.0769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4644   -1.5686    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3606    1.5439    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9981    0.9314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9602   -0.4686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1144   -1.2061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0648    1.5439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3481    0.3106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8394    0.2689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4231    0.9231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2773    0.9231    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0606    0.3064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0894    0.2731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2227    0.9189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4231    2.1564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1769   -1.2311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5144    0.0314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8269   -1.4394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4106   -0.3186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1231   -0.3311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2352   -0.2061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3894   -0.9394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4731   -0.9561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  5  1  0  0  0  0
  5 12  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  4  2  0  0  0  0
  9  5  2  0  0  0  0
 10  1  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13  9  1  0  0  0  0
 14 10  1  0  0  0  0
 15 10  2  0  0  0  0
 16  8  1  0  0  0  0
 17  2  1  0  0  0  0
 18  6  2  0  0  0  0
 19  7  2  0  0  0  0
 20 13  1  0  0  0  0
 21 20  1  0  0  0  0
 22 18  1  0  0  0  0
 23 22  2  0  0  0  0
 24 21  1  0  0  0  0
  3  7  1  0  0  0  0
 23 19  1  0  0  0  0
  8 11  1  0  0  0  0
M  END
>  <Mol_ID> (1,149)
1149

>  <Formula> (1,149)
C18H19N3O2S

>  <MolWeight> (1,149)
341.42736

>  <COMPOUND_NAME> (1,149)
WAY-384515

>  <BAR_CODE_NO> (1,149)
2546660

$$$$
WAY-384585
csChFnd80/06171916322D

 23 24  0  0  0  0  0  0  0  0999 V2000
    2.9521    7.8921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4419    5.4838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7101    3.2994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4641    2.1524    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1959    4.3116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2826    6.6217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3870    7.9446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1113    6.7519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0435    5.4015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6011    4.3825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3414    3.2354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3430    4.5310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5561    3.0664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2049    9.0391    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8843    6.5394    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0428    9.1831    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9728    0.8591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8350    2.0770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4021    8.9912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7976    9.2585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1846    0.7426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0490    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  8  1  0  0  0  0
  3 11  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  2  0  0  0  0
  7  1  1  0  0  0  0
  8  7  2  0  0  0  0
  9  6  1  0  0  0  0
 10  5  1  0  0  0  0
 11 10  1  0  0  0  0
 12  3  2  0  0  0  0
 13  5  2  0  0  0  0
 14  1  1  0  0  0  0
 15  6  1  0  0  0  0
 16  7  1  0  0  0  0
 17  4  1  0  0  0  0
 18  4  1  0  0  0  0
 19 14  1  0  0  0  0
 20 15  1  0  0  0  0
 21 16  1  0  0  0  0
 22 18  1  0  0  0  0
 23 17  1  0  0  0  0
  9  2  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,150)
1150

>  <Formula> (1,150)
C16H21NO6

>  <MolWeight> (1,150)
323.34104

>  <COMPOUND_NAME> (1,150)
WAY-384585

>  <BAR_CODE_NO> (1,150)
2546759

$$$$
WAY-384637
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    4.1792   -4.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1167   -6.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1792   -8.0917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6667   -8.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667   -6.4500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5292  -12.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2917   -8.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9417   -6.4875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5625   -9.6792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3000   -4.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4542  -11.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4292  -14.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5750   -6.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8375   -8.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2750  -14.4167    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.1167   -3.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7042  -12.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5042  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2042   -1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7750  -14.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6792  -15.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167   -1.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4 14  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7  5  2  0  0  0  0
  8  2  1  0  0  0  0
  9  4  1  0  0  0  0
 10  1  1  0  0  0  0
 11  9  1  0  0  0  0
 12  6  2  0  0  0  0
 13  4  2  0  0  0  0
 14  8  1  0  0  0  0
 15 12  1  0  0  0  0
 16  1  2  0  0  0  0
 17  6  1  0  0  0  0
 18 12  1  0  0  0  0
 19 10  2  0  0  0  0
 20 16  1  0  0  0  0
 21 17  2  0  0  0  0
 22 21  1  0  0  0  0
 23 20  2  0  0  0  0
 23 19  1  0  0  0  0
  7  3  1  0  0  0  0
 22 18  2  0  0  0  0
M  END
>  <Mol_ID> (1,151)
1151

>  <Formula> (1,151)
C17H14ClN3O2

>  <MolWeight> (1,151)
327.76496

>  <COMPOUND_NAME> (1,151)
WAY-384637

>  <BAR_CODE_NO> (1,151)
2546813

$$$$
WAY-384684
csChFnd80/06171916322D

 30 32  0  0  0  0  0  0  0  0999 V2000
    9.4250  -12.9667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3292   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3417    1.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167    2.7708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4417  -11.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3292   -2.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708    1.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1792  -13.9667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3417    2.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4417   -9.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4167  -14.7042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6792  -11.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000   -4.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4125   -5.9625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3500   -2.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4042    1.0500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4292   -7.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167   -4.1917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4000   -2.4542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3542   -4.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4500  -11.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4500   -9.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6958    1.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6750    4.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9375  -12.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1750  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4417   -7.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6958    2.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7083    4.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  1  0  0  0  0
  3  2  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7 16  1  0  0  0  0
  8  4  1  0  0  0  0
  9  1  1  0  0  0  0
 10  8  2  0  0  0  0
 11  6  2  0  0  0  0
 12  1  2  0  0  0  0
 13  1  2  0  0  0  0
 14 15  1  0  0  0  0
 15 18  1  0  0  0  0
 16 21  1  0  0  0  0
 17  3  2  0  0  0  0
 18 11  1  0  0  0  0
 19  7  2  0  0  0  0
 20 14  2  0  0  0  0
 21 14  1  0  0  0  0
 22  6  1  0  0  0  0
 23 22  2  0  0  0  0
 24  8  1  0  0  0  0
 25 10  1  0  0  0  0
 26  9  1  0  0  0  0
 27  9  1  0  0  0  0
 28 23  1  0  0  0  0
 29 24  2  0  0  0  0
 30 29  1  0  0  0  0
 18 28  2  0  0  0  0
 10  5  1  0  0  0  0
 30 25  2  0  0  0  0
M  END
>  <Mol_ID> (1,152)
1152

>  <Formula> (1,152)
C20H18N2O7S

>  <MolWeight> (1,152)
430.43112

>  <COMPOUND_NAME> (1,152)
WAY-384684

>  <BAR_CODE_NO> (1,152)
2546921

$$$$
WAY-384692
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.3458   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2500   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2500   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6833   -1.0500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6833   -0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7708   -1.1667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2833   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7708    0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542   -0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2833   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7958    0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4708    0.4958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542   -0.0792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7958    0.6333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542   -1.1042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7958   -1.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3125   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3125   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542   -1.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542   -1.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1542   -1.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  2  0  0  0  0
  6  3  1  0  0  0  0
  7  8  2  0  0  0  0
  8  2  1  0  0  0  0
  9  1  1  0  0  0  0
 10  6  2  0  0  0  0
 11  7  1  0  0  0  0
 12  5  1  0  0  0  0
 13  9  2  0  0  0  0
 14 11  2  0  0  0  0
 15  9  1  0  0  0  0
 16 10  1  0  0  0  0
 17 11  1  0  0  0  0
 18 16  1  0  0  0  0
 19 15  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
  2  3  2  0  0  0  0
 10  7  1  0  0  0  0
 18 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,153)
1153

>  <Formula> (1,153)
C15H16N2O3S

>  <MolWeight> (1,153)
304.36414

>  <COMPOUND_NAME> (1,153)
WAY-384692

>  <BAR_CODE_NO> (1,153)
2546915

$$$$
WAY-384716
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
    5.5917   -1.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0375   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7500   -0.9167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7500   -1.6667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0292   -0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6375   -1.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2250   -0.7167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2250   -1.8667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8417   -1.2917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5500   -0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5500   -1.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8042   -2.6167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4667   -1.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3542   -2.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3500   -1.3000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8417   -2.5917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292   -2.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3542   -0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7167   -1.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8000    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167   -0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167   -1.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0375   -1.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2750   -2.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3125   -0.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8792   -3.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6417   -2.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5667   -2.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  5  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  2  0  0  0  0
  6 15  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
  9  1  1  0  0  0  0
 10  7  1  0  0  0  0
 11  8  1  0  0  0  0
 12  2  2  0  0  0  0
 13  9  1  0  0  0  0
 14  4  1  0  0  0  0
 15 20  1  0  0  0  0
 16 10  1  0  0  0  0
 17 13  2  0  0  0  0
 18 11  1  0  0  0  0
 19  3  1  0  0  0  0
 20 13  1  0  0  0  0
 21  5  1  0  0  0  0
 22 16  2  0  0  0  0
 23 18  2  0  0  0  0
 24 14  1  0  0  0  0
 25 14  2  0  0  0  0
 26 22  1  0  0  0  0
 27 25  1  0  0  0  0
 28 24  2  0  0  0  0
 29 27  2  0  0  0  0
  3  4  1  0  0  0  0
 29 28  1  0  0  0  0
 10 11  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,154)
1154

>  <Formula> (1,154)
C21H21N5O2S

>  <MolWeight> (1,154)
407.48874

>  <COMPOUND_NAME> (1,154)
WAY-384716

>  <BAR_CODE_NO> (1,154)
2546945

$$$$
WAY-384728
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
    0.4042    1.4333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333    2.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958    1.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0958    0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8333    1.0958    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333    2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042    1.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292    0.0333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708    2.0333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2500    2.8500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3333    3.1333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8833    2.4458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042    2.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5333    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7958    2.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8042    1.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4042    2.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4042    0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1458    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6042    1.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9958    1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6458    1.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875    2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3625    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8  4  2  0  0  0  0
  9  6  1  0  0  0  0
 10  2  1  0  0  0  0
 11  6  2  0  0  0  0
 12 20  1  0  0  0  0
 13  7  1  0  0  0  0
 14  7  2  0  0  0  0
 15 16  1  0  0  0  0
 16  9  1  0  0  0  0
 17 19  2  0  0  0  0
 18 13  2  0  0  0  0
 19 14  1  0  0  0  0
 20 15  2  0  0  0  0
 21 17  1  0  0  0  0
 22 25  1  0  0  0  0
 23 15  1  0  0  0  0
 24 21  1  0  0  0  0
 25 23  2  0  0  0  0
  3  5  1  0  0  0  0
 17 18  1  0  0  0  0
 22 12  2  0  0  0  0
M  END
>  <Mol_ID> (1,155)
1155

>  <Formula> (1,155)
C17H16N4O2S2

>  <MolWeight> (1,155)
372.46454

>  <COMPOUND_NAME> (1,155)
WAY-384728

>  <BAR_CODE_NO> (1,155)
2546533

$$$$
WAY-384729
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -0.6708   -1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292   -1.7042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0125   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958   -2.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6708   -2.1292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667   -2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4500   -1.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042   -2.4667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0125   -1.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6292   -1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2333   -2.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4875   -2.7500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9500   -3.0292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1667   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3500   -0.7667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7500   -1.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8125   -2.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8333   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292   -2.4042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0208   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1125   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3500   -2.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8708   -1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4500   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9583   -2.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6333   -1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2958   -0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9333   -0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  8  1  0  0  0  0
  7  3  1  0  0  0  0
  8  3  1  0  0  0  0
  9  1  1  0  0  0  0
 10  9  2  0  0  0  0
 11  2  1  0  0  0  0
 12  5  1  0  0  0  0
 13  6  2  0  0  0  0
 14  4  2  0  0  0  0
 15 11  1  0  0  0  0
 16  7  2  0  0  0  0
 17 15  2  0  0  0  0
 18 12  1  0  0  0  0
 19  9  1  0  0  0  0
 20 15  1  0  0  0  0
 21 25  2  0  0  0  0
 22 10  1  0  0  0  0
 23 18  1  0  0  0  0
 24 18  2  0  0  0  0
 25 24  1  0  0  0  0
 26 23  2  0  0  0  0
 27 21  1  0  0  0  0
 28 19  2  0  0  0  0
 29 28  1  0  0  0  0
 10  5  1  0  0  0  0
  6  2  1  0  0  0  0
 22 29  2  0  0  0  0
 21 26  1  0  0  0  0
M  END
>  <Mol_ID> (1,156)
1156

>  <Formula> (1,156)
C21H16N2O4S2

>  <MolWeight> (1,156)
424.49274

>  <COMPOUND_NAME> (1,156)
WAY-384729

>  <BAR_CODE_NO> (1,156)
2546534

$$$$
WAY-384730
csChFnd80/06171916322D

 33 37  0  0  0  0  0  0  0  0999 V2000
   -1.1833    1.5458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0500    1.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7000    1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000    1.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458    1.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2333    1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708    1.6708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333    1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4500    1.0500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5500    1.0958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2625    1.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6000    1.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833    1.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0958    1.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500    0.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1000    0.6708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208    1.9583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708    0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667    0.5708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8500    0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2333    1.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458    1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8625    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1958    0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4833    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4958    2.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000    1.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8208    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042    1.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8125    0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  2  0  0  0  0
  3  1  1  0  0  0  0
  4  6  1  0  0  0  0
  5  3  2  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  1  1  0  0  0  0
  9  8  2  0  0  0  0
 10  3  1  0  0  0  0
 11  7  1  0  0  0  0
 12  2  1  0  0  0  0
 13 12  2  0  0  0  0
 14  9  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17  7  2  0  0  0  0
 18  6  2  0  0  0  0
 19 16  1  0  0  0  0
 20 19  2  0  0  0  0
 21 11  1  0  0  0  0
 22 12  1  0  0  0  0
 23 14  1  0  0  0  0
 24 13  1  0  0  0  0
 25 15  1  0  0  0  0
 26 19  1  0  0  0  0
 27 21  1  0  0  0  0
 28 27  1  0  0  0  0
 29 22  2  0  0  0  0
 30 23  2  0  0  0  0
 31 29  1  0  0  0  0
 32 30  1  0  0  0  0
 33 28  1  0  0  0  0
  9  5  1  0  0  0  0
  4 10  1  0  0  0  0
 13 11  1  0  0  0  0
 32 25  2  0  0  0  0
 31 24  2  0  0  0  0
M  END
>  <Mol_ID> (1,157)
1157

>  <Formula> (1,157)
C24H20N4O4S

>  <MolWeight> (1,157)
460.505

>  <COMPOUND_NAME> (1,157)
WAY-384730

>  <BAR_CODE_NO> (1,157)
2546535

$$$$
WAY-384734
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
    0.8167    1.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9167    2.2458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542    1.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458    1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9000    1.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292    2.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167    1.2000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000    2.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4000    2.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458    1.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5542    2.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8625    1.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5542    0.9458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5375    0.4208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3042    2.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9000    3.3208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5625    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9292    2.9333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5458    0.1958    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.6000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4000    1.6333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9625    2.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083    2.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2833    1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167    3.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458    3.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6458    2.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3208    2.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  8  1  0  0  0  0
  7  3  1  0  0  0  0
  8  3  1  0  0  0  0
  9  1  1  0  0  0  0
 10  9  1  0  0  0  0
 11  5  1  0  0  0  0
 12  2  1  0  0  0  0
 13 11  1  0  0  0  0
 14  6  2  0  0  0  0
 15  4  2  0  0  0  0
 16 12  1  0  0  0  0
 17  7  2  0  0  0  0
 18 13  2  0  0  0  0
 19 16  2  0  0  0  0
 20 18  1  0  0  0  0
 21  9  2  0  0  0  0
 22 16  1  0  0  0  0
 23 10  2  0  0  0  0
 24 13  1  0  0  0  0
 25 18  1  0  0  0  0
 26 21  1  0  0  0  0
 27 26  2  0  0  0  0
 28 24  2  0  0  0  0
 29 28  1  0  0  0  0
 10  5  1  0  0  0  0
  2  6  1  0  0  0  0
 27 23  1  0  0  0  0
 29 25  2  0  0  0  0
M  END
>  <Mol_ID> (1,158)
1158

>  <Formula> (1,158)
C20H13ClN2O4S2

>  <MolWeight> (1,158)
444.91122

>  <COMPOUND_NAME> (1,158)
WAY-384734

>  <BAR_CODE_NO> (1,158)
2546540

$$$$
WAY-384742
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -1.8208    2.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208    1.9250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4208    1.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208    1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9583    0.8833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0458    3.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500    4.0542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2958    1.7083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3833    0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3833    0.4958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7958    0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7083    1.0625    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -6.1167    0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5125   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4375    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0833    1.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9458    1.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417    0.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042   -0.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0417   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  3  0  0  0  0
  8  3  1  0  0  0  0
  9  4  1  0  0  0  0
 10 12  1  0  0  0  0
 11  8  1  0  0  0  0
 12 11  1  0  0  0  0
 13 10  1  0  0  0  0
 14  9  2  0  0  0  0
 15  9  1  0  0  0  0
 16 12  1  0  0  0  0
 17 16  1  0  0  0  0
 18 15  2  0  0  0  0
 19 14  1  0  0  0  0
 20 18  1  0  0  0  0
  5  4  1  0  0  0  0
 13 17  1  0  0  0  0
 20 19  2  0  0  0  0
M  END
>  <Mol_ID> (1,159)
1159

>  <Formula> (1,159)
C15H15N3O2

>  <MolWeight> (1,159)
269.2985

>  <COMPOUND_NAME> (1,159)
WAY-384742

>  <BAR_CODE_NO> (1,159)
2546547

$$$$
WAY-384820
csChFnd80/06171916322D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -0.1155    1.2396    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5405    1.2396    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8322    1.6563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1155    0.4146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5405    0.4146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2530    1.6438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2553   -0.9604    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8405    2.4771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8345   -1.5479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4678   -0.1687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2572    2.4646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5530    2.8771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6303   -1.3312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8345   -0.5312    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6220   -2.3437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2095   -1.9104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9970   -2.7104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1970   -2.9229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  2  1  0  0  0  0
  7 10  1  0  0  0  0
  8  3  1  0  0  0  0
  9  7  1  0  0  0  0
 10  4  1  0  0  0  0
 11 12  1  0  0  0  0
 12  8  2  0  0  0  0
 13  9  1  0  0  0  0
 14 13  1  0  0  0  0
 15  9  2  0  0  0  0
 16 13  2  0  0  0  0
 17 18  2  0  0  0  0
 18 15  1  0  0  0  0
  5  2  1  0  0  0  0
  6 11  2  0  0  0  0
 17 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,160)
1160

>  <Formula> (1,160)
C14H13N3S

>  <MolWeight> (1,160)
255.33812

>  <COMPOUND_NAME> (1,160)
WAY-384820

>  <BAR_CODE_NO> (1,160)
2547254

$$$$
WAY-385269
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.1958  -10.3542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.2250   -9.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083  -10.7667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7375  -10.2125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7417   -8.8792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6208  -12.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9542   -9.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5250   -9.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6208  -11.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9542   -9.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2417  -10.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6208  -12.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083   -9.6292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167  -11.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0542   -9.5625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3375  -13.2417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292   -9.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2500   -8.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9125  -13.2542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3333  -12.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3333  -10.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0458  -12.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0458  -11.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  1  0  0  0  0
  4  7  1  0  0  0  0
  5 10  1  0  0  0  0
  6  9  1  0  0  0  0
  7 11  2  0  0  0  0
  8  1  1  0  0  0  0
  9  3  1  0  0  0  0
 10 18  2  0  0  0  0
 11  8  1  0  0  0  0
 12  6  1  0  0  0  0
 13  1  2  0  0  0  0
 14  1  2  0  0  0  0
 15  2  2  0  0  0  0
 16 12  2  0  0  0  0
 17  8  2  0  0  0  0
 18 17  1  0  0  0  0
 19 12  1  0  0  0  0
 20  6  2  0  0  0  0
 21  9  2  0  0  0  0
 22 23  2  0  0  0  0
 23 21  1  0  0  0  0
 10  7  1  0  0  0  0
  5  2  1  0  0  0  0
 22 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,161)
1161

>  <Formula> (1,161)
C14H11N3O5S

>  <MolWeight> (1,161)
333.31924

>  <COMPOUND_NAME> (1,161)
WAY-385269

>  <BAR_CODE_NO> (1,161)
2547382

$$$$
WAY-385280
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
    9.5625   -4.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0500   -5.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6042   -4.7875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5500   -6.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5917   -6.6042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1042   -5.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8625   -4.0292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.0542   -5.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9417   -4.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3417   -7.4792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.7917   -6.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1792   -5.6542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.0417   -7.5125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7292   -6.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4167   -7.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8167   -8.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3167   -5.6167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2042   -6.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3750   -9.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9667   -8.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9875   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4500   -9.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -10.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2667   -5.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1667   -4.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  6  1  0  0  0  0
  6  3  2  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  7  1  0  0  0  0
 10 11  1  0  0  0  0
 11 14  1  0  0  0  0
 12  6  1  0  0  0  0
 13  4  2  0  0  0  0
 14 12  1  0  0  0  0
 15 10  1  0  0  0  0
 16 10  1  0  0  0  0
 17 11  2  0  0  0  0
 18  8  1  0  0  0  0
 19 16  1  0  0  0  0
 20 15  1  0  0  0  0
 21  9  1  0  0  0  0
 22 19  1  0  0  0  0
 23 22  1  0  0  0  0
 24 18  1  0  0  0  0
 25 21  1  0  0  0  0
  8  9  2  0  0  0  0
  4  5  1  0  0  0  0
 24 25  1  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,162)
1162

>  <Formula> (1,162)
C18H23N3O2S2

>  <MolWeight> (1,162)
377.52412

>  <COMPOUND_NAME> (1,162)
WAY-385280

>  <BAR_CODE_NO> (1,162)
2547405

$$$$
WAY-385351
csChFnd80/06171916322D

 21 24  0  0  0  0  0  0  0  0999 V2000
    0.9334   -0.3367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3084   -0.9867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1792   -0.3325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0334   -0.8242    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4334    0.2258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167   -0.0867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9334   -1.6367    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958   -0.9825    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1916    0.3133    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9833    0.9258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708    0.9383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1709   -1.6367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083    0.3175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3333    0.3133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9708   -0.2992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3458    1.5383    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2583   -0.2992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5209    0.9633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0458    0.3050    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.6209    0.4675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542    1.1133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  2  0  0  0  0
  7  2  1  0  0  0  0
  8  3  2  0  0  0  0
  9  3  1  0  0  0  0
 10 11  1  0  0  0  0
 11 13  2  0  0  0  0
 12  8  1  0  0  0  0
 13  9  1  0  0  0  0
 14 15  1  0  0  0  0
 15 17  2  0  0  0  0
 16 10  1  0  0  0  0
 17 13  1  0  0  0  0
 18  5  1  0  0  0  0
 19 14  1  0  0  0  0
 20  6  1  0  0  0  0
 21 18  1  0  0  0  0
  4  6  1  0  0  0  0
 20 21  1  0  0  0  0
  7 12  2  0  0  0  0
 10 14  2  0  0  0  0
M  END
>  <Mol_ID> (1,163)
1163

>  <Formula> (1,163)
C15H11F2N3S

>  <MolWeight> (1,163)
303.3297464

>  <COMPOUND_NAME> (1,163)
WAY-385351

>  <BAR_CODE_NO> (1,163)
2547450

$$$$
WAY-385352
csChFnd80/06171916322D

 32 35  0  0  0  0  0  0  0  0999 V2000
    0.6658    0.5277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4514    0.5277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2141    1.4829    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4520   -0.2861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0169   -0.4585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9928    1.5104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3313    1.2518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4451    0.1829    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1204   -0.4171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1204    1.5277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1589    2.0277    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7031    0.5760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2382    1.6553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8204    0.5932    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.4382    0.5932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0520    2.4173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9687    0.6208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8514   -0.5620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8204    1.7380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6072   -0.1723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5514   -0.3689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5031    1.5932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8037   -1.2102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6307   -0.3344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6135    1.6139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8831   -1.5965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9796   -1.9861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1825    0.6691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0934   -2.6827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1727   -3.0689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2762   -3.4206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5348   -4.5447    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 14 17  1  0  0  0  0
 14 18  2  0  0  0  0
 14 19  2  0  0  0  0
 15 20  1  0  0  0  0
 17 21  1  0  0  0  0
 17 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
 23 26  1  0  0  0  0
 23 27  2  0  0  0  0
 24 28  1  0  0  0  0
 26 29  2  0  0  0  0
 27 30  1  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
  7  8  1  0  0  0  0
 10 12  2  0  0  0  0
 25 28  1  0  0  0  0
 30 31  2  0  0  0  0
M  END
>  <Mol_ID> (1,164)
1164

>  <Formula> (1,164)
C21H20ClN3O5S2

>  <MolWeight> (1,164)
493.9836

>  <COMPOUND_NAME> (1,164)
WAY-385352

>  <BAR_CODE_NO> (1,164)
2547492

$$$$
WAY-385394
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
    2.1542  -10.7042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3417  -10.4542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.7500  -14.5417    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2417   -9.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9458   -7.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042  -12.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0333   -5.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9667  -13.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2750   -3.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2417   -5.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6250  -14.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9167  -12.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208   -7.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2417   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6208   -9.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6542  -15.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917   -7.4792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0833   -9.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9208   -3.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0333   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4042   -3.3375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4625    0.7708    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.2625  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1875  -11.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7167  -15.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  6  1  0  0  0  0
  4  1  1  0  0  0  0
  5 13  1  0  0  0  0
  6  1  1  0  0  0  0
  7  5  1  0  0  0  0
  8  2  1  0  0  0  0
  9 10  1  0  0  0  0
 10  7  2  0  0  0  0
 11 12  1  0  0  0  0
 12  2  1  0  0  0  0
 13 15  1  0  0  0  0
 14 20  1  0  0  0  0
 15  4  1  0  0  0  0
 16  3  1  0  0  0  0
 17  4  2  0  0  0  0
 18  5  2  0  0  0  0
 19  7  1  0  0  0  0
 20 19  2  0  0  0  0
 21  9  1  0  0  0  0
 22 14  1  0  0  0  0
 23  3  1  0  0  0  0
 24 11  1  0  0  0  0
 25 11  1  0  0  0  0
  8  3  1  0  0  0  0
 11 16  1  0  0  0  0
 14  9  2  0  0  0  0
M  END
>  <Mol_ID> (1,165)
1165

>  <Formula> (1,165)
C19H25ClN2O3

>  <MolWeight> (1,165)
364.8664

>  <COMPOUND_NAME> (1,165)
WAY-385394

>  <BAR_CODE_NO> (1,165)
2547504

$$$$
WAY-385397
csChFnd80/06171916322D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -4.1583   -7.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2958   -5.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7167   -3.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6292   -5.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7042   -9.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0792  -13.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8083   -7.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9292  -16.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6292   -1.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8542  -11.6125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3458   -9.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9000  -12.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3792  -15.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1250   -3.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9667  -13.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8792   -7.5542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2958   -1.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583   -9.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0167  -13.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9542   -3.5167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9042    0.8083    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  2  2  0  0  0  0
  5 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7  1  1  0  0  0  0
  8  6  1  0  0  0  0
  9 17  1  0  0  0  0
 10  5  1  0  0  0  0
 11  1  2  0  0  0  0
 12  6  2  0  0  0  0
 13  8  1  0  0  0  0
 14  2  1  0  0  0  0
 15 12  1  0  0  0  0
 16  5  2  0  0  0  0
 17 14  2  0  0  0  0
 18  7  1  0  0  0  0
 19 10  1  0  0  0  0
 20  3  1  0  0  0  0
 21  9  1  0  0  0  0
  3  9  2  0  0  0  0
 15 13  2  0  0  0  0
M  END
>  <Mol_ID> (1,166)
1166

>  <Formula> (1,166)
C14H13ClN2O4

>  <MolWeight> (1,166)
308.71702

>  <COMPOUND_NAME> (1,166)
WAY-385397

>  <BAR_CODE_NO> (1,166)
2547507

$$$$
WAY-385424
csChFnd80/06171916322D

 19 20  0  0  0  0  0  0  0  0999 V2000
    2.9125   -0.6542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.3167   -1.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2375   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9000   -1.8042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2292   -1.5750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5042   -2.5625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2542   -2.5667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1417   -1.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6167   -3.2167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.0375   -1.2417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.5167   -1.2667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6667   -0.4417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3667   -3.2292    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.3917   -1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6375   -1.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3917   -1.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2292   -3.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7542   -2.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7417   -3.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  2  0  0  0  0
  6  8  1  0  0  0  0
  7  6  1  0  0  0  0
  8 14  1  0  0  0  0
  9  7  1  0  0  0  0
 10  2  1  0  0  0  0
 11  8  2  0  0  0  0
 12  3  1  0  0  0  0
 13  9  1  0  0  0  0
 14 10  1  0  0  0  0
 15  7  1  0  0  0  0
 16 15  1  0  0  0  0
 17  9  1  0  0  0  0
 18 16  1  0  0  0  0
 19 13  1  0  0  0  0
  4  5  1  0  0  0  0
 18 13  1  0  0  0  0
M  END
>  <Mol_ID> (1,167)
1167

>  <Formula> (1,167)
C12H20N4OS2

>  <MolWeight> (1,167)
300.4434

>  <COMPOUND_NAME> (1,167)
WAY-385424

>  <BAR_CODE_NO> (1,167)
2547535

$$$$
WAY-385535
csChFnd80/06171916322D

 26 30  0  0  0  0  0  0  0  0999 V2000
   -0.8587    0.0720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8587    0.8962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0794   -0.1797    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5587   -0.3487    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0794    1.1341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5587    1.2962    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3827    0.4962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1585   -0.9556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2587    0.0720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1827    1.9134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2587    0.8962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2033    0.4962    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9585   -1.1487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9794   -0.3487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4413    2.6962    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9794    1.2962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5068   -0.5487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2033   -1.9176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6794    0.0720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6794    0.8962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3033   -0.7176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0033   -2.1004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5551   -1.5004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9551   -0.2487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3689   -1.5004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6068   -0.7176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  3  0  0  0  0
 11 16  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  2  0  0  0  0
 14 19  2  0  0  0  0
 16 20  2  0  0  0  0
 17 21  2  0  0  0  0
 18 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
  5  7  2  0  0  0  0
  9 11  2  0  0  0  0
 19 20  1  0  0  0  0
 22 23  2  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (1,168)
1168

>  <Formula> (1,168)
C19H13N5O2

>  <MolWeight> (1,168)
343.33882

>  <COMPOUND_NAME> (1,168)
WAY-385535

>  <BAR_CODE_NO> (1,168)
2547589

$$$$
CL-356863
csChFnd80/06171916322D

 22 25  0  0  0  0  0  0  0  0999 V2000
   -0.7760   -0.0140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7760   -1.2450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4033    0.3757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8967    0.6239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4033   -1.6450    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8967   -1.8864    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0930   -0.6554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7930    1.5653    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9449   -0.0140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9449   -1.2450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3447   -0.6554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0346    0.6239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0346   -1.8864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9654    0.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9654   -1.7450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1173   -0.0140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1173   -1.2450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3447    1.5136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2137    0.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9654    2.5929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8344    1.5136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2137    2.5929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  2  0  0  0  0
 14 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
  5  7  1  0  0  0  0
  9 10  1  0  0  0  0
 16 17  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,169)
1169

>  <Formula> (1,169)
C18H16N2OS

>  <MolWeight> (1,169)
308.39744

>  <COMPOUND_NAME> (1,169)
CL-356863

>  <BAR_CODE_NO> (1,169)
3909082

$$$$
CL-414355
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
    1.8564    0.7151    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.5192   -0.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8564    2.2482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1935   -0.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5192   -1.5772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8180    0.7151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1298    3.1054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5829    3.1690    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.1935   -1.5772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6042    0.7151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8180   -2.3413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8564   -2.3413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1551   -0.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8180    2.3413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6841    4.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1559    4.5748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6042   -2.2482    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0589    1.3861    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1551   -1.5772    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.4972   -2.3413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4972   -3.8401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8050   -1.6066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8344   -4.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1372   -2.3413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1715   -3.8695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  2  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 17  1  0  0  0  0
 10 18  3  0  0  0  0
 11 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
  9 12  1  0  0  0  0
 13 19  1  0  0  0  0
 15 16  2  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (1,170)
1170

>  <Formula> (1,170)
C20H16N2O2S

>  <MolWeight> (1,170)
348.41824

>  <COMPOUND_NAME> (1,170)
CL-414355

>  <BAR_CODE_NO> (1,170)
3910894

$$$$
GI-506782
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -1.9069   -0.3555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6655   -0.8658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7552    0.6859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7552   -1.3969    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4862   -0.1555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7655   -2.2244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2655    1.9342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0862    0.4756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0448   -2.5451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7034   -0.7141    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3931    1.1928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2655   -3.0969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1138    2.9859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9448    2.1445    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.9241    1.5238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5655   -0.7762    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8034    0.0549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8138   -2.0555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4448    2.7756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0138   -0.5141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6862    1.3928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0345   -2.6244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1345   -1.8555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1138    0.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7862    2.1652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0034    1.5928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  2  0  0  0  0
  8 16  1  0  0  0  0
 10 17  1  0  0  0  0
 10 18  1  0  0  0  0
 13 19  2  0  0  0  0
 17 20  2  0  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
 20 23  1  0  0  0  0
 20 24  1  0  0  0  0
 21 25  2  0  0  0  0
 24 26  2  0  0  0  0
  6  9  1  0  0  0  0
 15 19  1  0  0  0  0
 22 23  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (1,171)
1171

>  <Formula> (1,171)
C20H16Cl2N2O2

>  <MolWeight> (1,171)
387.25924

>  <COMPOUND_NAME> (1,171)
GI-506782

>  <BAR_CODE_NO> (1,171)
3910029

$$$$
WAY-218611
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    8.5191    4.4777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5191    5.9076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8280    4.0717    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6460    5.2352    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3014    6.5984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3014    3.7810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0714    5.9076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8280    6.3076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0714    4.4777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8291    6.5984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1431    2.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6355    5.9076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8291    3.7810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6355    4.5081    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3014    7.9981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2885    7.6528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4116    6.5984    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1252    1.7692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4518    2.2964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1936    5.9076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.5984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7791    0.9634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4160    0.4362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7247    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  9  1  0  0  0  0
  8  2  1  0  0  0  0
  9  6  1  0  0  0  0
 10  7  1  0  0  0  0
 11  3  1  0  0  0  0
 12 10  1  0  0  0  0
 13  9  2  0  0  0  0
 14 12  2  0  0  0  0
 15  5  1  0  0  0  0
 16  8  1  0  0  0  0
 17 12  1  0  0  0  0
 18 11  2  0  0  0  0
 19 11  1  0  0  0  0
 20 17  1  0  0  0  0
 21 20  1  0  0  0  0
 22 19  2  0  0  0  0
 23 18  1  0  0  0  0
 24 22  1  0  0  0  0
  4  8  2  0  0  0  0
  7  5  2  0  0  0  0
 24 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,172)
1172

>  <Formula> (1,172)
C18H18N2O4

>  <MolWeight> (1,172)
326.34652

>  <COMPOUND_NAME> (1,172)
WAY-218611

>  <BAR_CODE_NO> (1,172)
3909855

$$$$
WAY-226702
csChFnd80/06171916322D

 14 15  0  0  0  0  0  0  0  0999 V2000
    0.8581   -0.2165    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6074   -0.2165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5754    1.0111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8133   -1.2717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3212    1.0111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3212   -1.4786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9719    0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9616    2.3387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0754   -0.6958    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5409   -2.7027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7522    1.0111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5729    2.2352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7522   -1.4786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4694   -0.2510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  2  0  0  0  0
 11 14  2  0  0  0  0
  7  9  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,173)
1173

>  <Formula> (1,173)
C10H9NO2S

>  <MolWeight> (1,173)
207.24896

>  <COMPOUND_NAME> (1,173)
WAY-226702

>  <BAR_CODE_NO> (1,173)
3909810

$$$$
WAY-229805
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    0.1030    0.3643    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0340    0.9057    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7936    0.8712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1099   -0.6633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9685    1.4505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0340    1.9954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9650    0.3747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6764    0.3540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7798   -1.1840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9685    2.5298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9064    0.9057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6764   -0.6736    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9064    3.0678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8409    1.4505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5522   -1.1977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8409    2.5298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8039   -2.1977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4488   -0.6977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7788    3.0678    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8315   -2.2081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2867   -3.0840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8143   -3.9840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7936   -3.9771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  2  0  0  0  0
 17 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
  9 12  1  0  0  0  0
 14 16  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,174)
1174

>  <Formula> (1,174)
C15H15FN2O4S

>  <MolWeight> (1,174)
338.3540032

>  <COMPOUND_NAME> (1,174)
WAY-229805

>  <BAR_CODE_NO> (1,174)
3910810

$$$$
WAY-230712
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
    1.9000   -0.7515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9000   -1.9032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8966   -0.1515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9241   -0.1515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9241   -2.4757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8966   -2.4757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1034   -0.7515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9448   -0.7515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9448   -1.9032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9000   -3.6515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1034   -1.9032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1483   -0.1757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9621   -0.2032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1759    1.0243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2172    1.5899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2034    0.9899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2034    2.7726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2379    1.5761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2483    3.3243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2379    2.7105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3138    3.2623    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,175)
1175

>  <Formula> (1,175)
C17H13FO3

>  <MolWeight> (1,175)
284.2817232

>  <COMPOUND_NAME> (1,175)
WAY-230712

>  <BAR_CODE_NO> (1,175)
3910813

$$$$
WAY-232261
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
    3.6327    2.0969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4166    1.4033    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.6327    3.5236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8488    4.2252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4166    4.2097    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0805    3.5236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2966    4.2097    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8488    1.4033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2005    2.0969    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.4166    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0805    2.0969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7288    5.5894    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4166    5.5894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2005    3.5236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4972    3.5236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2966    5.5894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5127    6.3066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7133    4.2097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2005    6.3066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  3  1  0  0  0  0
  6 11  2  0  0  0  0
  7  6  1  0  0  0  0
  8  1  2  0  0  0  0
  9  2  1  0  0  0  0
 10  2  2  0  0  0  0
 11  8  1  0  0  0  0
 12 18  1  0  0  0  0
 13 20  1  0  0  0  0
 14  5  1  0  0  0  0
 15  5  1  0  0  0  0
 16  7  1  0  0  0  0
 17  7  1  0  0  0  0
 18 17  1  0  0  0  0
 19 16  1  0  0  0  0
 20 15  1  0  0  0  0
 21 14  1  0  0  0  0
  4  6  1  0  0  0  0
 13 21  1  0  0  0  0
 12 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,176)
1176

>  <Formula> (1,176)
C14H20N4O3

>  <MolWeight> (1,176)
292.3336

>  <COMPOUND_NAME> (1,176)
WAY-232261

>  <BAR_CODE_NO> (1,176)
3910615

$$$$
WAY-232400
csChFnd80/06171916322D

 21 22  0  0  0  0  0  0  0  0999 V2000
    4.8810    5.2693    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8810    2.9658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5571    4.8281    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.5571    3.4159    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.7282    4.1662    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5887    9.2412    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.2693    1.6419    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2958    6.6024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4361    5.6402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4387    7.8643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5508    7.0524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6286    1.3066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8332    9.9121    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.5295   10.1415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6462    6.9906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1051    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1651    5.0575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4219    7.7054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1412    7.2642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.8520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6613    2.2596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6 10  1  0  0  0  0
  7  2  1  0  0  0  0
  8  1  1  0  0  0  0
  9  3  1  0  0  0  0
 10 11  1  0  0  0  0
 11  9  2  0  0  0  0
 12  7  1  0  0  0  0
 13  6  1  0  0  0  0
 14  6  2  0  0  0  0
 15  8  2  0  0  0  0
 16 12  2  0  0  0  0
 17  9  1  0  0  0  0
 18  8  1  0  0  0  0
 19 20  1  0  0  0  0
 20 17  2  0  0  0  0
 21 12  1  0  0  0  0
  2  4  1  0  0  0  0
 19 10  2  0  0  0  0
M  END
>  <Mol_ID> (1,177)
1177

>  <Formula> (1,177)
C12H12N4O4S

>  <MolWeight> (1,177)
308.31308

>  <COMPOUND_NAME> (1,177)
WAY-232400

>  <BAR_CODE_NO> (1,177)
3910751

$$$$
WAY-232900
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -0.6582    0.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3789    0.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2168   -0.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3444    1.0759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3789   -0.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0272    0.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6582   -0.8379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5349   -0.1517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4038    1.1483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0272   -0.9759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6789    0.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4272   -1.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8418    0.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6789   -0.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5935    0.6241    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0349    0.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7728    0.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0832    0.7759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2107   -0.5207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
 10 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
  5  7  1  0  0  0  0
  9 13  2  0  0  0  0
 11 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,178)
1178

>  <Formula> (1,178)
C12H10N4O2S

>  <MolWeight> (1,178)
274.2984

>  <COMPOUND_NAME> (1,178)
WAY-232900

>  <BAR_CODE_NO> (1,178)
3910742

$$$$
WAY-234659
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -1.0000    1.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000    1.9958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000    1.1333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8208    1.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8208    1.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458    1.6125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542   -0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.0875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.3833   -0.0292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3000    1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3000    2.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167    0.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7833    1.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7833    1.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0542    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  8  2  0  0  0  0
  8 11  1  0  0  0  0
  9  3  1  0  0  0  0
 10  7  1  0  0  0  0
 11 12  1  0  0  0  0
 12  9  1  0  0  0  0
 13  4  1  0  0  0  0
 14  5  1  0  0  0  0
 15  7  1  0  0  0  0
 16  8  1  0  0  0  0
 17 13  2  0  0  0  0
 18 14  2  0  0  0  0
 19 16  2  0  0  0  0
 20 19  1  0  0  0  0
  5  4  2  0  0  0  0
 18 17  1  0  0  0  0
 20 15  2  0  0  0  0
M  END
>  <Mol_ID> (1,179)
1179

>  <Formula> (1,179)
C15H14ClN3O

>  <MolWeight> (1,179)
287.74416

>  <COMPOUND_NAME> (1,179)
WAY-234659

>  <BAR_CODE_NO> (1,179)
3910908

$$$$
WAY-238087
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -2.6451   -0.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7486    0.0346    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0486   -0.7171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2175   -2.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3417   -0.2206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2175    1.3070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5210    0.5311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9589   -1.7482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0831   -3.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5307    0.7760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0618   -1.4930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6106    1.5863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3417    2.6760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0969    2.1725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8555    0.8104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5210   -3.0551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8652    0.5311    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5859   -0.6585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7342    1.5622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9238   -0.3482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0238   -1.9309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0514    1.0587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3997    2.9553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0169   -1.1206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2963    1.5863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2963   -0.5275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4204    0.8104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8 16  2  0  0  0  0
 10 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  2  0  0  0  0
 19 22  1  0  0  0  0
 19 23  2  0  0  0  0
 20 24  2  0  0  0  0
 22 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
  7 12  2  0  0  0  0
  9 16  1  0  0  0  0
 20 22  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <Mol_ID> (1,180)
1180

>  <Formula> (1,180)
C22H20N2O3

>  <MolWeight> (1,180)
360.4058

>  <COMPOUND_NAME> (1,180)
WAY-238087

>  <BAR_CODE_NO> (1,180)
3910928

$$$$
WAY-238682
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -2.9621    0.0969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    0.9210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1655   -0.1204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6621   -0.3445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2241    1.2072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7379    1.3037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7103    0.5658    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8793   -0.8963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3897    0.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0000    2.0037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4241    0.8658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8862    0.5969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4414   -0.0963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3828   -0.0652    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8241   -0.8273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000    0.5796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6897   -0.8342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7138    0.4555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -0.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0138   -0.3169    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8276   -0.4342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1276   -1.2066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3379    0.2037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9379   -1.3342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1517    0.0831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4517   -0.6825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2724   -0.8066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  2  0  0  0  0
 26 27  1  0  0  0  0
  5  7  1  0  0  0  0
  9 11  1  0  0  0  0
 19 20  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (1,181)
1181

>  <Formula> (1,181)
C21H21N3O3

>  <MolWeight> (1,181)
363.40974

>  <COMPOUND_NAME> (1,181)
WAY-238682

>  <BAR_CODE_NO> (1,181)
3909163

$$$$
WAY-239967
csChFnd80/06171916322D

 17 19  0  0  0  0  0  0  0  0999 V2000
    2.4159    6.9733    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2355    6.2412    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4159    4.2279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6515    4.8868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6515    6.2412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4159    2.8095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2355    4.8868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8319    4.2279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6515    2.1139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8319    2.7728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6971    0.7230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2355    2.1139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8776    6.9733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0457    4.2279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4983    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1223    6.2869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  2  0  0  0  0
  6  3  2  0  0  0  0
  7  2  1  0  0  0  0
  8  4  2  0  0  0  0
  9 10  2  0  0  0  0
 10  8  1  0  0  0  0
 11  9  1  0  0  0  0
 12  6  1  0  0  0  0
 13  5  1  0  0  0  0
 14 15  1  0  0  0  0
 15  7  2  0  0  0  0
 16 11  1  0  0  0  0
 17 13  1  0  0  0  0
  7  3  1  0  0  0  0
 14 12  2  0  0  0  0
  6  9  1  0  0  0  0
M  END
>  <Mol_ID> (1,182)
1182

>  <Formula> (1,182)
C14H14N2O

>  <MolWeight> (1,182)
226.27376

>  <COMPOUND_NAME> (1,182)
WAY-239967

>  <BAR_CODE_NO> (1,182)
3910544

$$$$
WAY-305676
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -1.7034   -0.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8862   -0.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0345    0.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1897   -1.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3276    0.0414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4724   -1.2828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8483    0.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0103   -1.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4207   -0.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3345   -1.1103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3414   -0.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1793    1.1379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1345    0.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1621   -0.1862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0000    1.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8483   -0.2862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6483   -0.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5655    0.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2759   -0.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5586    0.9517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9897    0.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2724    1.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9897    0.9517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7000   -0.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7103    1.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
  9 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
 21 24  1  0  0  0  0
 23 25  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,183)
1183

>  <Formula> (1,183)
C19H20N2O4

>  <MolWeight> (1,183)
340.3731

>  <COMPOUND_NAME> (1,183)
WAY-305676

>  <BAR_CODE_NO> (1,183)
3908996

$$$$
WAY-305723
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    1.0103    1.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3690    2.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3690    0.7448    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1483    1.4345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8690    3.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2483    2.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7310    0.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0517    0.5621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2483    3.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6310    3.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7310   -0.7552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1310    3.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0517   -1.2034    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8310   -1.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4103   -1.9552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5103   -0.4241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5897   -1.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8310   -2.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3517   -1.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5897   -0.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5897   -2.9759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0517   -2.9759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3517   -2.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1103   -2.9759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 13 16  2  0  0  0  0
 14 17  2  0  0  0  0
 14 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  2  0  0  0  0
 18 22  1  0  0  0  0
 19 23  2  0  0  0  0
 23 24  1  0  0  0  0
  7  8  2  0  0  0  0
 10 12  1  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,184)
1184

>  <Formula> (1,184)
C17H23N3O2S2

>  <MolWeight> (1,184)
365.51342

>  <COMPOUND_NAME> (1,184)
WAY-305723

>  <BAR_CODE_NO> (1,184)
3909049

$$$$
WAY-305731
csChFnd80/06171916322D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -0.2724   -0.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8966    0.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2483    0.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2724   -0.7448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7345    0.9931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5138   -0.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0345    1.0724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9655    0.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8966   -1.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3483   -1.1276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5138   -0.7448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4345    0.8172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9862   -0.7655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1517    0.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  6 11  1  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 12 14  1  0  0  0  0
  5  7  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <Mol_ID> (1,185)
1185

>  <Formula> (1,185)
C10H14N2O2

>  <MolWeight> (1,185)
194.23036

>  <COMPOUND_NAME> (1,185)
WAY-305731

>  <BAR_CODE_NO> (1,185)
3909059

$$$$
WAY-305733
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -1.1828    0.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4345    0.6207    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6207    0.0172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4172    1.3414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2034    1.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3172   -0.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8069    1.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5069    1.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9655   -1.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6655   -1.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8069    2.5276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0690    1.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9655   -1.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6172   -0.6724    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.6655   -1.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9172    0.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7828    1.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3172   -2.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4690   -0.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1172    0.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4690   -0.9207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7690   -0.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1172   -1.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7690   -0.9207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  2  0  0  0  0
  6  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  2  0  0  0  0
 12 16  2  0  0  0  0
 12 17  1  0  0  0  0
 13 18  2  0  0  0  0
 16 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
  5  7  1  0  0  0  0
 15 18  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,186)
1186

>  <Formula> (1,186)
C19H15ClN2OS

>  <MolWeight> (1,186)
354.8532

>  <COMPOUND_NAME> (1,186)
WAY-305733

>  <BAR_CODE_NO> (1,186)
3909062

$$$$
WAY-305774
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    0.6241   -0.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0897   -0.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3448   -0.5483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6241    0.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8414   -0.2172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1759   -1.3862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0621   -0.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3379    1.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4000   -0.8241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9897   -1.5552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0621    0.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7759   -0.5345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3345    1.9414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2241   -0.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7759    1.1138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4862   -0.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6103    2.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5621    0.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7172   -1.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7690    1.9414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3897    0.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5414   -1.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8759   -0.5483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  2  0  0  0  0
 14 19  1  0  0  0  0
 15 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  2  0  0  0  0
 21 23  2  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,187)
1187

>  <Formula> (1,187)
C16H15N3O4

>  <MolWeight> (1,187)
313.308

>  <COMPOUND_NAME> (1,187)
WAY-305774

>  <BAR_CODE_NO> (1,187)
3909107

$$$$
WAY-305788
csChFnd80/06171916322D

 21 22  0  0  0  0  0  0  0  0999 V2000
    0.1414    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1414   -0.8241    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.8517    0.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5793    0.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5724   -1.2448    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.8586   -1.2345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5655    0.0138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8448    1.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5793    1.2379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2931    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5724   -2.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2931   -0.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5690   -0.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1310    1.6483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2931   -2.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0069   -1.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2897   -1.2241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1310    2.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0069   -2.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8414    2.8931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8310    3.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
  7 13  1  0  0  0  0
 16 19  2  0  0  0  0
M  END
>  <Mol_ID> (1,188)
1188

>  <Formula> (1,188)
C15H22N2O4

>  <MolWeight> (1,188)
294.34618

>  <COMPOUND_NAME> (1,188)
WAY-305788

>  <BAR_CODE_NO> (1,188)
3909122

$$$$
WAY-305967
csChFnd80/06171916322D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -0.2276   -0.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2276   -0.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2724   -1.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7483   -1.0448    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7483   -0.1483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2103    0.0276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7379   -0.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0483   -0.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9483    0.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2241   -1.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7379   -0.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6103   -0.5483    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5897    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7034   -0.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2241   -0.0310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7724    1.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7034   -0.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4103    1.7172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1103    1.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5897    2.2379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
  5  8  1  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,189)
1189

>  <Formula> (1,189)
C13H12N2O3S2

>  <MolWeight> (1,189)
308.37598

>  <COMPOUND_NAME> (1,189)
WAY-305967

>  <BAR_CODE_NO> (1,189)
3909331

$$$$
WAY-306034
csChFnd80/06171916322D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.9724    0.3517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2966    0.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7172   -0.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7586    0.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3586    0.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2966    1.6655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1069   -0.4345    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2034   -1.0966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3724    0.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1414    0.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1586    0.3138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1966   -0.7552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7586    0.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5586    0.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6655   -0.7586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9690   -0.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4172   -1.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  9 11  1  0  0  0  0
  9 12  2  0  0  0  0
 10 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
  5  7  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (1,190)
1190

>  <Formula> (1,190)
C10H7NO5S

>  <MolWeight> (1,190)
253.23128

>  <COMPOUND_NAME> (1,190)
WAY-306034

>  <BAR_CODE_NO> (1,190)
3909420

$$$$
WAY-306152
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.2448   -0.3276    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.6552   -0.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2448    0.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1448   -0.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6552   -1.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5552   -0.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1448    1.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6552    1.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1448   -1.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0621   -0.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2448   -2.4138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5552   -2.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4552   -0.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1448    2.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6552    2.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0621   -2.4276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9621    0.2069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4552   -1.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2448    2.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3759   -2.4276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2448    3.8345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1448    4.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  2  0  0  0  0
  7 14  1  0  0  0  0
  8 15  2  0  0  0  0
  9 16  1  0  0  0  0
 10 17  3  0  0  0  0
 12 18  2  0  0  0  0
 14 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
  9 11  1  0  0  0  0
 13 18  1  0  0  0  0
 15 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,191)
1191

>  <Formula> (1,191)
C17H14N2O3

>  <MolWeight> (1,191)
294.30466

>  <COMPOUND_NAME> (1,191)
WAY-306152

>  <BAR_CODE_NO> (1,191)
3909588

$$$$
WAY-306173
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
    2.9448    1.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6276    1.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7828    0.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1966    2.5517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9207    0.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1379    2.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4000   -0.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0586    0.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0759    3.2034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3966    0.0414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5414   -1.1207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1345    2.6483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2345   -1.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9172   -0.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0379   -1.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5276   -1.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3759   -1.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0897   -0.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0034   -2.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2759   -0.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3034   -2.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9345   -1.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2379    0.8379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2172   -0.9517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3586    0.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  2  0  0  0  0
 10 15  1  0  0  0  0
 13 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
  6  9  1  0  0  0  0
 14 16  1  0  0  0  0
 21 22  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,192)
1192

>  <Formula> (1,192)
C19H16N2O4

>  <MolWeight> (1,192)
336.34134

>  <COMPOUND_NAME> (1,192)
WAY-306173

>  <BAR_CODE_NO> (1,192)
3909611

$$$$
WAY-306266
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
    3.6268    4.2202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6268    2.8202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0669    4.2202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4267    4.9070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8469    4.9070    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0669    2.8202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8469    2.1068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4267    2.1068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2201    4.2202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2201    2.8202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2804    4.9070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5004    5.6203    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8469    6.3004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4267    6.3004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2804    2.1068    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0469    7.0203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6468    7.0071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8269    9.1205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6268    8.3804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0270    8.4004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4267    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8269   10.5073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0202   11.2005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2201    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  5  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  2  0  0  0  0
  7  2  1  0  0  0  0
  8  2  1  0  0  0  0
  9  4  1  0  0  0  0
 10  9  1  0  0  0  0
 11  3  1  0  0  0  0
 12 11  3  0  0  0  0
 13  5  1  0  0  0  0
 14  4  2  0  0  0  0
 15  6  1  0  0  0  0
 16 13  2  0  0  0  0
 17 13  1  0  0  0  0
 18 19  1  0  0  0  0
 19 17  2  0  0  0  0
 20 16  1  0  0  0  0
 21  8  1  0  0  0  0
 22 18  1  0  0  0  0
 23 10  1  0  0  0  0
 24 22  1  0  0  0  0
 25 21  2  0  0  0  0
 26 23  2  0  0  0  0
  7  6  1  0  0  0  0
 10  8  2  0  0  0  0
 20 18  2  0  0  0  0
 26 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,193)
1193

>  <Formula> (1,193)
C20H14N2O4

>  <MolWeight> (1,193)
346.33616

>  <COMPOUND_NAME> (1,193)
WAY-306266

>  <BAR_CODE_NO> (1,193)
3909753

$$$$
WAY-306309
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -0.8310   -0.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6414   -0.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4034   -1.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4310    0.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7241   -1.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000   -0.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9552   -1.6448    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4207   -1.0207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000    0.4172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8552    1.1172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5310   -1.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9517   -0.7828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8207   -0.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8069    1.1414    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.6310    1.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3862    1.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0483    0.4345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0379    1.8690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8759    0.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2966   -0.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
  5  7  1  0  0  0  0
  9 13  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (1,194)
1194

>  <Formula> (1,194)
C14H16N2O3S

>  <MolWeight> (1,194)
292.35344

>  <COMPOUND_NAME> (1,194)
WAY-306309

>  <BAR_CODE_NO> (1,194)
3909805

$$$$
WAY-306654
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
    1.0285    1.1460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5695    1.7491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2760    1.4804    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2769    0.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3853    1.5843    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1742    2.4574    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3596    2.2902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4346    1.0624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0915    0.1845    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7359   -0.2526    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6361    0.7913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9275    2.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3423   -0.6085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1453   -0.1917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2760   -0.1917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4346    0.2275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4507    0.6240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8547   -1.4434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8547   -2.2783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5642   -1.0266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1453   -1.0266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5642   -2.6975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2736   -1.4434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2736   -2.2783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9843   -2.6975    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
 14 21  1  0  0  0  0
 16 15  2  0  0  0  0
 14 16  1  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  9 13  1  0  0  0  0
 11 17  2  0  0  0  0
  6  7  2  0  0  0  0
  9 11  1  0  0  0  0
 16  8  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  2  0  0  0  0
 22 24  2  0  0  0  0
 24 25  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,195)
1195

>  <Formula> (1,195)
C16H16ClN5O3

>  <MolWeight> (1,195)
361.78294

>  <COMPOUND_NAME> (1,195)
WAY-306654

>  <BAR_CODE_NO> (1,195)
3910238

$$$$
WAY-306655
csChFnd80/06171916322D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -1.8690   -1.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2345   -0.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7483   -1.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4862   -2.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2793   -0.6655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6586    0.2448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3690   -2.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1000   -3.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2138    0.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0207   -2.9759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1931    0.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6931    0.9552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2310    1.8241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6414    0.9552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7310    2.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1655    1.7448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6931    2.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000    3.4621    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
  8 10  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (1,196)
1196

>  <Formula> (1,196)
C15H20FNO

>  <MolWeight> (1,196)
249.3238032

>  <COMPOUND_NAME> (1,196)
WAY-306655

>  <BAR_CODE_NO> (1,196)
3910239

$$$$
WAY-306668
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
    4.1138    0.9379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4552    2.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3448   -0.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4931    1.1897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0414    2.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4414    3.2310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8862   -0.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6828    2.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2759    1.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1793   -1.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2276   -1.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9966   -2.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3828   -2.5655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3379   -3.7897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0483   -1.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4103   -1.3828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3828   -0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0793   -0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0483    1.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4103    1.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5931   -0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,197)
1197

>  <Formula> (1,197)
C16H14N2O3

>  <MolWeight> (1,197)
282.29396

>  <COMPOUND_NAME> (1,197)
WAY-306668

>  <BAR_CODE_NO> (1,197)
3910257

$$$$
WAY-306691
csChFnd80/06171916322D

 18 20  0  0  0  0  0  0  0  0999 V2000
    1.7274   -0.8828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0584    0.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0688   -0.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0791   -2.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3588    0.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6584    1.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7446    0.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7791   -2.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7412   -3.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0209    1.4103    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0412    1.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1067   -3.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2933    1.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1105    0.3690    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0105    2.5172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3588    0.8172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3588    2.1310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4933    0.0103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  8 12  2  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
  7 11  2  0  0  0  0
  9 12  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (1,198)
1198

>  <Formula> (1,198)
C13H11N3S2

>  <MolWeight> (1,198)
273.37654

>  <COMPOUND_NAME> (1,198)
WAY-306691

>  <BAR_CODE_NO> (1,198)
3910287

$$$$
WAY-306730
csChFnd80/06171916322D

 31 35  0  0  0  0  0  0  0  0999 V2000
    0.7034   -0.2690    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.0483   -0.2103    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.9517   -1.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0931    0.3897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3276   -0.9379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4276    0.4414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2655   -1.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5931   -1.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8655    0.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7241    1.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0552   -1.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1759    0.4414    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1448   -2.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4517   -2.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2724    1.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1345    1.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1759   -1.9690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9552    0.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1759    1.2103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1759   -0.3379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7517   -2.6759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5655   -2.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8931    1.7103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3483    1.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3483   -0.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2517    2.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1138    1.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1138   -0.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0241    2.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5069    0.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3931    3.0759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 11 17  2  0  0  0  0
 12 18  1  0  0  0  0
 12 19  2  0  0  0  0
 12 20  2  0  0  0  0
 13 21  1  0  0  0  0
 13 22  2  0  0  0  0
 15 23  1  0  0  0  0
 18 24  2  0  0  0  0
 18 25  1  0  0  0  0
 23 26  1  0  0  0  0
 24 27  1  0  0  0  0
 25 28  2  0  0  0  0
 26 29  1  0  0  0  0
 27 30  2  0  0  0  0
 29 31  1  0  0  0  0
  5  7  2  0  0  0  0
 14 21  2  0  0  0  0
 16 23  1  0  0  0  0
 17 22  1  0  0  0  0
 28 30  1  0  0  0  0
M  END
>  <Mol_ID> (1,199)
1199

>  <Formula> (1,199)
C24H27N3O3S

>  <MolWeight> (1,199)
437.55448

>  <COMPOUND_NAME> (1,199)
WAY-306730

>  <BAR_CODE_NO> (1,199)
3910338

$$$$
WAY-306738
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    0.3552   -0.7828    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.2448   -0.9414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6138   -0.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6759   -1.3207    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7069   -0.5034    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2862   -1.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2345   -0.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2552    0.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3138   -1.7828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1448   -0.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2448   -0.0621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1448   -0.9414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4759    0.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5138    0.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7448   -0.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9862    0.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1345    0.9172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1138    0.4966    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.1862    0.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4241    0.9793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4138    1.4793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0241    0.8172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0345    1.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  5 12  2  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
 10 15  2  0  0  0  0
 10 16  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  2  0  0  0  0
 17 21  1  0  0  0  0
 19 22  2  0  0  0  0
 21 23  1  0  0  0  0
  6  9  1  0  0  0  0
 14 17  2  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,200)
1200

>  <Formula> (1,200)
C16H16BrNO3S2

>  <MolWeight> (1,200)
414.33714

>  <COMPOUND_NAME> (1,200)
WAY-306738

>  <BAR_CODE_NO> (1,200)
3910347

$$$$
WAY-306744
csChFnd80/06171916322D

 28 30  0  0  0  0  0  0  0  0999 V2000
    0.1213   -0.5167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5684   -0.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1213   -1.3236    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8109   -0.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2615   -0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5684    0.6489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1213   -2.1339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9178   -1.3236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6787   -1.3236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8109    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9511   -0.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2615    1.0696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5684   -2.5236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8109   -2.5236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5247    1.0696    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1213    1.0696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9511    0.6489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5684   -3.2994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8109   -3.2994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5247    1.8799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6615    1.0696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1213   -3.7201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8109    2.2696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2144    2.2696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3546    0.6489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8109    3.0454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2144    3.0454    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5247    3.4661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  3  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  2  0  0  0  0
  7 14  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  2  0  0  0  0
 11 17  1  0  0  0  0
 13 18  1  0  0  0  0
 14 19  2  0  0  0  0
 15 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  2  0  0  0  0
 20 23  1  0  0  0  0
 20 24  2  0  0  0  0
 21 25  1  0  0  0  0
 23 26  2  0  0  0  0
 24 27  1  0  0  0  0
 26 28  1  0  0  0  0
 12 17  2  0  0  0  0
 19 22  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <Mol_ID> (1,201)
1201

>  <Formula> (1,201)
C20H19N3O4S

>  <MolWeight> (1,201)
397.44756

>  <COMPOUND_NAME> (1,201)
WAY-306744

>  <BAR_CODE_NO> (1,201)
3910354

$$$$
WAY-307378
csChFnd80/06171916322D

 29 31  0  0  0  0  0  0  0  0999 V2000
    2.2514   -1.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6548   -1.7172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1272   -1.2035    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9548   -0.1793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7583   -1.5241    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7031   -0.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5307    0.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1555   -1.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9307   -0.6276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5686   -2.4207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4031    0.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6203   -0.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2514    1.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4348   -0.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7314   -2.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3073   -0.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6279   -1.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9073   -0.9483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7797   -0.7552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0590    0.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4383    0.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9521    0.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5659    0.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7176    1.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9693    1.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1211    2.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2452    2.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6693    2.7931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0728    3.4655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  2  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
 21 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  3  0  0  0  0
  7 11  1  0  0  0  0
 17 18  2  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (1,202)
1202

>  <Formula> (1,202)
C20H17N5O3S

>  <MolWeight> (1,202)
407.44568

>  <COMPOUND_NAME> (1,202)
WAY-307378

>  <BAR_CODE_NO> (1,202)
3911147

$$$$
WAY-307420
csChFnd80/06171916322D

 19 20  0  0  0  0  0  0  0  0999 V2000
   11.4286    6.2541    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7161    6.6665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7119    7.4915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8534    5.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7166    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1415    6.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.7166    6.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4291    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4291    6.6498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1415    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4286    5.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1410    6.6748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8539    6.6540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0037    6.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8534    6.2541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1410    5.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5747    6.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2871    6.6623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4 16  1  0  0  0  0
  5  9  1  0  0  0  0
  6 14  1  0  0  0  0
  7  5  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  2  0  0  0  0
 10  6  2  0  0  0  0
 11  6  1  0  0  0  0
 12  1  1  0  0  0  0
 13  1  1  0  0  0  0
 14 18  1  0  0  0  0
 15  2  1  0  0  0  0
 16 13  1  0  0  0  0
 17 12  1  0  0  0  0
 18 19  1  0  0  0  0
 19 15  1  0  0  0  0
 17  4  1  0  0  0  0
  8  5  2  0  0  0  0
M  END
>  <Mol_ID> (1,203)
1203

>  <Formula> (1,203)
C14H18ClNO3

>  <MolWeight> (1,203)
283.75062

>  <COMPOUND_NAME> (1,203)
WAY-307420

>  <BAR_CODE_NO> (1,203)
3911201

$$$$
WAY-323393
csChFnd80/06171916322D

 31 35  0  0  0  0  0  0  0  0999 V2000
   -1.6375   -0.0750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458   -0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3375   -2.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1625    0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1167   -2.1167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3625   -0.4667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.3750    0.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3500   -3.2042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4708   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6667   -1.9042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167   -0.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6167   -2.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1417   -3.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9083    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958   -1.5167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333    1.3833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7417   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9125   -2.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375   -1.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7208    0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8833   -0.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1583    1.3083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6958   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4292   -2.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4792   -4.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1250   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7583    2.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9250    2.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7792   -3.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3000   -4.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3 10  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  2  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8  3  1  0  0  0  0
  9  1  1  0  0  0  0
 10 18  1  0  0  0  0
 11  6  1  0  0  0  0
 12  5  1  0  0  0  0
 13  8  1  0  0  0  0
 14  9  2  0  0  0  0
 15  2  2  0  0  0  0
 16  4  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 11  1  0  0  0  0
 20 11  1  0  0  0  0
 21 14  1  0  0  0  0
 22  9  1  0  0  0  0
 23 21  1  0  0  0  0
 24 22  2  0  0  0  0
 25 12  1  0  0  0  0
 26 13  1  0  0  0  0
 27 24  1  0  0  0  0
 28 23  1  0  0  0  0
 29 28  1  0  0  0  0
 30 25  2  0  0  0  0
 31 26  2  0  0  0  0
  7  6  1  0  0  0  0
 27 21  2  0  0  0  0
 10 17  1  0  0  0  0
 13 12  2  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (1,204)
1204

>  <Formula> (1,204)
C23H24N4O3S

>  <MolWeight> (1,204)
436.52666

>  <COMPOUND_NAME> (1,204)
WAY-323393

>  <BAR_CODE_NO> (1,204)
2551028

$$$$
WAY-323591
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
    5.0167   -4.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3042   -3.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7375   -3.9417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8750   -2.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5917   -3.1167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5917   -4.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0167   -5.1792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1542   -3.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4417   -4.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7375   -3.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8792   -1.8792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4417   -2.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1542   -3.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6000   -5.1875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.3042   -3.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3042   -2.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8792   -3.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0042   -3.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2500   -1.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5917   -2.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8792   -3.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7667   -2.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8667   -1.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7042   -1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0875   -2.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  8  1  0  0  0  0
  5  4  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  2  0  0  0  0
  8 12  1  0  0  0  0
  9  3  1  0  0  0  0
 10  3  1  0  0  0  0
 11  4  2  0  0  0  0
 12 10  1  0  0  0  0
 13  9  1  0  0  0  0
 14  6  1  0  0  0  0
 15  2  2  0  0  0  0
 16  5  1  0  0  0  0
 17  6  2  0  0  0  0
 18 16  1  0  0  0  0
 19 16  1  0  0  0  0
 20 15  1  0  0  0  0
 21 20  2  0  0  0  0
 22 18  1  0  0  0  0
 23 19  1  0  0  0  0
 24 23  1  0  0  0  0
 25 22  1  0  0  0  0
  8 13  1  0  0  0  0
 21 17  1  0  0  0  0
 25 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,205)
1205

>  <Formula> (1,205)
C20H27ClN2O2

>  <MolWeight> (1,205)
362.89358

>  <COMPOUND_NAME> (1,205)
WAY-323591

>  <BAR_CODE_NO> (1,205)
2569057

$$$$
WAY-324197
csChFnd80/06171916322D

 24 28  0  0  0  0  0  0  0  0999 V2000
    4.8875   -6.4500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.1375   -6.0375    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.4167   -7.3292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000   -7.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4042   -6.4667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.1667   -7.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6042   -6.0167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.1167   -5.1792    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.6500   -7.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0375   -5.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6542   -8.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4042   -9.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6875   -6.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8542   -4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6042   -5.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1792   -8.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4167   -9.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9292   -9.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1500   -8.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9792   -6.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6667   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9500   -4.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542   -6.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2500   -5.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  6  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  2  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  4  1  0  0  0  0
 10  7  1  0  0  0  0
 11  9  2  0  0  0  0
 12 11  1  0  0  0  0
 13  5  1  0  0  0  0
 14 15  1  0  0  0  0
 15  7  1  0  0  0  0
 16  6  1  0  0  0  0
 17 12  2  0  0  0  0
 18 11  1  0  0  0  0
 19 12  1  0  0  0  0
 20 13  1  0  0  0  0
 21 13  2  0  0  0  0
 22 21  1  0  0  0  0
 23 20  2  0  0  0  0
 24 22  2  0  0  0  0
  8 10  1  0  0  0  0
  3  5  1  0  0  0  0
  8 14  1  0  0  0  0
 18 16  2  0  0  0  0
 24 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,206)
1206

>  <Formula> (1,206)
C21H22N2O

>  <MolWeight> (1,206)
318.41218

>  <COMPOUND_NAME> (1,206)
WAY-324197

>  <BAR_CODE_NO> (1,206)
2549711

$$$$
WAY-340244
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -1.8242   -0.0893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1621   -1.2100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1793    1.0590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1345   -0.0893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1483   -1.2100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8069   -2.3582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1310    1.0590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8448    2.2107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7862   -1.2100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8172   -0.0582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1173   -2.3582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000    3.3245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1552    2.1831    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1172   -0.0376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9207   -1.0858    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8862    1.0521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1689   -0.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1172    0.6487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9034   -1.1996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  8 12  1  0  0  0  0
  8 13  2  0  0  0  0
 10 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
  7 10  2  0  0  0  0
  9 11  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (1,207)
1207

>  <Formula> (1,207)
C15H11NO3

>  <MolWeight> (1,207)
253.25274

>  <COMPOUND_NAME> (1,207)
WAY-340244

>  <BAR_CODE_NO> (1,207)
2550205

$$$$
WAY-340245
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
    8.3348    2.6120    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1734    1.4758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0030    2.1815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0435    0.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3740    0.3368    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.8151    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1368    0.6764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5667    1.4758    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1368    2.0879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8036    0.2474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8752    3.0103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5671    0.7058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8036    2.5211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3443    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7639    3.9592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3443    2.7964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5671    2.0879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2524    6.2917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8206    4.9752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  2  0  0  0  0
  7 15  1  0  0  0  0
  8  2  2  0  0  0  0
  9 17  1  0  0  0  0
 10  7  1  0  0  0  0
 11  3  2  0  0  0  0
 12  6  1  0  0  0  0
 13  9  1  0  0  0  0
 14 10  1  0  0  0  0
 15 12  2  0  0  0  0
 16  1  1  0  0  0  0
 17 18  2  0  0  0  0
 18 12  1  0  0  0  0
 19 20  1  0  0  0  0
 20 16  1  0  0  0  0
  5  4  1  0  0  0  0
  9  7  2  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,208)
1208

>  <Formula> (1,208)
C13H12N2O4S

>  <MolWeight> (1,208)
292.31038

>  <COMPOUND_NAME> (1,208)
WAY-340245

>  <BAR_CODE_NO> (1,208)
2550206

$$$$
WAY-340319
csChFnd80/06171916322D

 20 21  0  0  0  0  0  0  0  0999 V2000
    1.9042    1.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1792   -0.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4542   -3.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0917    3.3333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6792   -0.9167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7417   -5.1417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9667   -3.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8625    3.2958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6417   -0.8542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9542   -3.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0250   -7.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5958    1.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6500  -11.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -13.6375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   14.5292   -7.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8167   -9.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8292   -9.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1042  -11.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8792    5.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6208    5.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3 10  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  2  2  0  0  0  0
  8 12  1  0  0  0  0
  9  3  2  0  0  0  0
 10  5  1  0  0  0  0
 11  6  1  0  0  0  0
 12  1  2  0  0  0  0
 13 18  2  0  0  0  0
 14 13  1  0  0  0  0
 15 11  1  0  0  0  0
 16 11  2  0  0  0  0
 17 15  2  0  0  0  0
 18 16  1  0  0  0  0
 19  4  2  0  0  0  0
 20  8  2  0  0  0  0
 19 20  1  0  0  0  0
 13 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,209)
1209

>  <Formula> (1,209)
C13H10ClN3O3

>  <MolWeight> (1,209)
291.6898

>  <COMPOUND_NAME> (1,209)
WAY-340319

>  <BAR_CODE_NO> (1,209)
2550227

$$$$
WAY-340329
csChFnd80/06171916322D

 20 21  0  0  0  0  0  0  0  0999 V2000
    0.6041    0.0704    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9666   -0.5921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7083   -0.6046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0708   -1.2629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0542   -0.2921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2666    0.4329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2333    0.7246    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6833   -1.9004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8917    1.9954    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5791   -1.2254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9333   -1.8796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5459    1.3704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8208   -1.2879    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0416   -2.5671    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4792    0.7329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8292    1.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6042    1.9996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9167    0.7579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9667    1.3954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6209    0.7704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  2  0  0  0  0
  7  1  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  2  0  0  0  0
 10  2  1  0  0  0  0
 11 10  2  0  0  0  0
 12 16  1  0  0  0  0
 13  4  1  0  0  0  0
 14  8  1  0  0  0  0
 15  7  1  0  0  0  0
 16 15  1  0  0  0  0
 17  9  1  0  0  0  0
 18 12  1  0  0  0  0
 19 20  1  0  0  0  0
 20 18  2  0  0  0  0
  8  4  2  0  0  0  0
 19 17  2  0  0  0  0
M  END
>  <Mol_ID> (1,210)
1210

>  <Formula> (1,210)
C13H12F2N2O2S

>  <MolWeight> (1,210)
298.3083864

>  <COMPOUND_NAME> (1,210)
WAY-340329

>  <BAR_CODE_NO> (1,210)
2550237

$$$$
WAY-384623
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
    5.0042   -3.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3917   -3.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3917   -4.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6500   -3.7417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0750   -2.7542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3917   -5.9417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7792   -4.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5792   -7.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0042   -5.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7792   -5.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9167   -6.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0042   -4.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2667   -7.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7667   -2.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1167   -3.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7750   -3.4625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6292   -5.9500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.2292   -6.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5750   -7.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2667   -7.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6250   -6.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8000   -4.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1667   -4.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1667   -5.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8750   -7.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2167   -8.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8750   -7.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2417   -5.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9292   -8.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5500   -4.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5500   -5.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  2  0  0  0  0
  6  9  2  0  0  0  0
  7  3  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10  7  1  0  0  0  0
 11 13  1  0  0  0  0
 12  3  2  0  0  0  0
 13 21  1  0  0  0  0
 14  5  1  0  0  0  0
 15  4  1  0  0  0  0
 16  2  2  0  0  0  0
 17  9  1  0  0  0  0
 18  8  2  0  0  0  0
 19  8  1  0  0  0  0
 20 13  2  0  0  0  0
 21 17  1  0  0  0  0
 22  4  1  0  0  0  0
 23  7  2  0  0  0  0
 24 10  2  0  0  0  0
 25 26  1  0  0  0  0
 26 19  2  0  0  0  0
 27 18  1  0  0  0  0
 28 18  1  0  0  0  0
 29 19  1  0  0  0  0
 30 23  1  0  0  0  0
 31 30  2  0  0  0  0
 14 15  2  0  0  0  0
  6 10  1  0  0  0  0
 24 31  1  0  0  0  0
 27 25  2  0  0  0  0
M  END
>  <Mol_ID> (1,211)
1211

>  <Formula> (1,211)
C24H22N4O2S

>  <MolWeight> (1,211)
430.52208

>  <COMPOUND_NAME> (1,211)
WAY-384623

>  <BAR_CODE_NO> (1,211)
2550058

$$$$
WAY-385569
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
    9.0167   -3.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0042   -4.6875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6042   -4.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5125    1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3917   -3.3042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0042   -1.9667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3500   -0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3417    2.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5500   -1.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4917    3.9208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0250   -0.3917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0542   -4.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4917   -1.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3917   -0.3792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8667   -1.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2167    2.4958    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458    1.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208    3.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5000   -4.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0875   -6.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9583    2.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5542   -7.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9542   -4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  7  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7 12  1  0  0  0  0
  8  6  1  0  0  0  0
  9  4  1  0  0  0  0
 10  5  1  0  0  0  0
 11  9  2  0  0  0  0
 12 16  1  0  0  0  0
 13  3  1  0  0  0  0
 14  7  2  0  0  0  0
 15 10  2  0  0  0  0
 16 10  1  0  0  0  0
 17  9  1  0  0  0  0
 18  4  2  0  0  0  0
 19 22  2  0  0  0  0
 20 13  2  0  0  0  0
 21 13  1  0  0  0  0
 22 18  1  0  0  0  0
 23 21  2  0  0  0  0
 24 20  1  0  0  0  0
 25 23  1  0  0  0  0
  8  3  2  0  0  0  0
 24 25  2  0  0  0  0
 11 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,212)
1212

>  <Formula> (1,212)
C17H12ClN3O3S

>  <MolWeight> (1,212)
373.81348

>  <COMPOUND_NAME> (1,212)
WAY-385569

>  <BAR_CODE_NO> (1,212)
2547663

$$$$
WAY-385602
csChFnd80/06171916322D

 28 30  0  0  0  0  0  0  0  0999 V2000
    4.4042   -5.0417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9250   -4.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9167   -5.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1417   -4.6292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1417   -5.4667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.2292   -5.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6625   -6.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6542   -5.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1792   -3.5792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1667   -6.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7292   -6.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4792   -5.7417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9042   -6.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1292   -5.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2417   -6.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -6.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8417   -6.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542   -5.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6917   -7.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7042   -5.0167    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.3542   -6.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5167   -7.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2000   -8.1167    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.1500   -7.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9625   -5.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1792   -4.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9667   -7.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3792   -6.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  5  1  0  0  0  0
  8  6  1  0  0  0  0
  9  2  2  0  0  0  0
 10  3  2  0  0  0  0
 11 13  1  0  0  0  0
 12  8  1  0  0  0  0
 13 12  1  0  0  0  0
 14 11  2  0  0  0  0
 15  8  2  0  0  0  0
 16  7  1  0  0  0  0
 17  7  2  0  0  0  0
 18  5  1  0  0  0  0
 19 21  2  0  0  0  0
 20 14  1  0  0  0  0
 21 17  1  0  0  0  0
 22 16  2  0  0  0  0
 23 19  1  0  0  0  0
 24 11  1  0  0  0  0
 25 14  1  0  0  0  0
 26 18  1  0  0  0  0
 27 24  2  0  0  0  0
 28 27  1  0  0  0  0
  4  5  1  0  0  0  0
 22 19  1  0  0  0  0
 25 28  2  0  0  0  0
M  END
>  <Mol_ID> (1,213)
1213

>  <Formula> (1,213)
C20H19ClFN3O3

>  <MolWeight> (1,213)
403.8345632

>  <COMPOUND_NAME> (1,213)
WAY-385602

>  <BAR_CODE_NO> (1,213)
2547694

$$$$
WAY-385619
csChFnd80/06171916322D

 19 20  0  0  0  0  0  0  0  0999 V2000
    1.7667   -9.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9875  -12.1042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3333   -7.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5333   -5.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0917   -3.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9542   -5.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8833   -7.8292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9542   -1.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6750   -9.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0167   -7.8625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5833   -9.9125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3083   -3.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5208   -1.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4292   -3.6667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3000    0.8458    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.9792  -14.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4167  -12.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9000  -14.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8042  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  7  1  0  0  0  0
  4  3  1  0  0  0  0
  5  6  1  0  0  0  0
  6  4  2  0  0  0  0
  7  9  1  0  0  0  0
  8 13  1  0  0  0  0
  9  1  1  0  0  0  0
 10  1  2  0  0  0  0
 11  3  2  0  0  0  0
 12  4  1  0  0  0  0
 13 12  2  0  0  0  0
 14  5  1  0  0  0  0
 15  8  1  0  0  0  0
 16  2  1  0  0  0  0
 17  2  1  0  0  0  0
 18 17  1  0  0  0  0
 19 16  1  0  0  0  0
 18 19  1  0  0  0  0
  5  8  2  0  0  0  0
M  END
>  <Mol_ID> (1,214)
1214

>  <Formula> (1,214)
C13H15ClN2O3

>  <MolWeight> (1,214)
282.7228

>  <COMPOUND_NAME> (1,214)
WAY-385619

>  <BAR_CODE_NO> (1,214)
2547678

$$$$
WAY-385621
csChFnd80/06171916322D

 23 24  0  0  0  0  0  0  0  0999 V2000
   -3.7583   -6.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5417   -8.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6167  -10.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7875   -4.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8792   -3.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9000   -4.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6333   -6.7875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8917   -1.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833   -8.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7250  -10.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8458   -8.5917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6042   -6.8042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7333   -3.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7875   -1.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9042   -3.1792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0542    0.7333    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.7792  -12.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5542  -12.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9125  -12.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7167  -14.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9792  -14.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7792  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8792  -15.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  9  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  6  1  0  0  0  0
  6  4  2  0  0  0  0
  7  1  1  0  0  0  0
  8 14  1  0  0  0  0
  9  7  1  0  0  0  0
 10  3  1  0  0  0  0
 11  1  2  0  0  0  0
 12  2  2  0  0  0  0
 13  4  1  0  0  0  0
 14 13  2  0  0  0  0
 15  5  1  0  0  0  0
 16  8  1  0  0  0  0
 17 10  1  0  0  0  0
 18  3  1  0  0  0  0
 19 17  2  0  0  0  0
 20 17  1  0  0  0  0
 21 19  1  0  0  0  0
 22 20  2  0  0  0  0
 23 22  1  0  0  0  0
  5  8  2  0  0  0  0
 21 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,215)
1215

>  <Formula> (1,215)
C17H17ClN2O3

>  <MolWeight> (1,215)
332.78148

>  <COMPOUND_NAME> (1,215)
WAY-385621

>  <BAR_CODE_NO> (1,215)
2547680

$$$$
WAY-385696
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
    4.7000   -3.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0625   -2.7917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0042   -3.2625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0750   -5.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9375   -2.5542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7042   -4.6542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792   -2.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0625   -4.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8250   -5.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7042   -5.9417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9917   -4.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2042   -5.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7667   -2.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9542   -7.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3417   -7.9042    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.9542   -5.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8292   -6.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3292   -6.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2000   -7.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6917   -1.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6417   -5.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6417   -4.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1750   -2.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3167   -1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9250   -4.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9167   -5.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9750   -1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5667   -4.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  6  1  0  0  0  0
  5  3  1  0  0  0  0
  6  8  1  0  0  0  0
  7  2  1  0  0  0  0
  8  1  1  0  0  0  0
  9  4  1  0  0  0  0
 10  4  2  0  0  0  0
 11  6  1  0  0  0  0
 12  9  1  0  0  0  0
 13  2  1  0  0  0  0
 14 19  1  0  0  0  0
 15 14  1  0  0  0  0
 16 12  2  0  0  0  0
 17 12  1  0  0  0  0
 18 16  1  0  0  0  0
 19 17  2  0  0  0  0
 20  7  1  0  0  0  0
 21 11  2  0  0  0  0
 22 11  1  0  0  0  0
 23 13  1  0  0  0  0
 24 20  1  0  0  0  0
 25 22  2  0  0  0  0
 26 21  1  0  0  0  0
 27 23  1  0  0  0  0
 28 25  1  0  0  0  0
  7  5  2  0  0  0  0
 24 27  1  0  0  0  0
 26 28  2  0  0  0  0
 14 18  2  0  0  0  0
M  END
>  <Mol_ID> (1,216)
1216

>  <Formula> (1,216)
C21H22FN5O

>  <MolWeight> (1,216)
379.4306832

>  <COMPOUND_NAME> (1,216)
WAY-385696

>  <BAR_CODE_NO> (1,216)
2547911

$$$$
WAY-385719
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
   10.2667   -6.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0417   -5.4292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0750  -10.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7792   -6.4417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2542   -9.4667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6167   -4.9125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0125   -4.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0417   -8.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7000   -9.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7042  -10.8542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2667  -12.2667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9292  -10.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5542  -12.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6000   -5.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2542   -2.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9375   -8.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6917  -12.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3875  -10.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1875  -12.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7375  -13.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4917   -4.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5917   -1.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3875   -8.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6125   -9.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -13.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5250  -15.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0625   -2.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1875  -15.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  5  1  0  0  0  0
  4  1  2  0  0  0  0
  5  8  1  0  0  0  0
  6  4  1  0  0  0  0
  7  2  1  0  0  0  0
  8  1  1  0  0  0  0
  9  5  1  0  0  0  0
 10  3  1  0  0  0  0
 11  3  2  0  0  0  0
 12  9  1  0  0  0  0
 13 10  1  0  0  0  0
 14  2  1  0  0  0  0
 15  7  1  0  0  0  0
 16  9  2  0  0  0  0
 17 12  1  0  0  0  0
 18 12  2  0  0  0  0
 19 13  2  0  0  0  0
 20 13  1  0  0  0  0
 21 14  1  0  0  0  0
 22 15  1  0  0  0  0
 23 16  1  0  0  0  0
 24 23  2  0  0  0  0
 25 19  1  0  0  0  0
 26 20  2  0  0  0  0
 27 21  1  0  0  0  0
 28 26  1  0  0  0  0
  6  7  2  0  0  0  0
 27 22  1  0  0  0  0
 18 24  1  0  0  0  0
 28 25  2  0  0  0  0
M  END
>  <Mol_ID> (1,217)
1217

>  <Formula> (1,217)
C22H25N5O

>  <MolWeight> (1,217)
375.4668

>  <COMPOUND_NAME> (1,217)
WAY-385719

>  <BAR_CODE_NO> (1,217)
2548201

$$$$
WAY-385751
csChFnd80/06171916322D

 32 35  0  0  0  0  0  0  0  0999 V2000
    8.7514    2.3748    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4516    1.1693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3850    2.0802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5067    0.1246    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2422    0.6957    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.8452    1.0356    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0390    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8266    0.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3269    3.6687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6222    4.7156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8153    2.1029    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3449    3.0115    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3949    5.9393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6075    2.7940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6234    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2218    5.0351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4160    7.0587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4133    2.0825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0904    6.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2093    1.3460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2010    2.7668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9286    1.9941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0553    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.6127    2.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1679    0.3150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5343    0.6322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9927    3.0115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3040    2.3113    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3974    4.8697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6075    4.1786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1874    4.1650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7096    3.6551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  2  0  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
  9  1  1  0  0  0  0
 10  9  1  0  0  0  0
 11  8  1  0  0  0  0
 12  3  2  0  0  0  0
 13 10  1  0  0  0  0
 14 11  1  0  0  0  0
 15  8  2  0  0  0  0
 16 10  2  0  0  0  0
 17 13  1  0  0  0  0
 18 14  1  0  0  0  0
 19 16  1  0  0  0  0
 20  6  1  0  0  0  0
 21 18  2  0  0  0  0
 22 26  2  0  0  0  0
 23 21  1  0  0  0  0
 24 20  1  0  0  0  0
 25 20  2  0  0  0  0
 26 25  1  0  0  0  0
 27 24  2  0  0  0  0
 28 22  1  0  0  0  0
 29 30  1  0  0  0  0
 30 14  2  0  0  0  0
 31 29  2  0  0  0  0
 32 28  1  0  0  0  0
  4  5  1  0  0  0  0
 19 17  2  0  0  0  0
 27 22  1  0  0  0  0
 21 31  1  0  0  0  0
M  END
>  <Mol_ID> (1,218)
1218

>  <Formula> (1,218)
C23H20ClN3O4S

>  <MolWeight> (1,218)
469.9406

>  <COMPOUND_NAME> (1,218)
WAY-385751

>  <BAR_CODE_NO> (1,218)
2547796

$$$$
WAY-385811
csChFnd80/06171916322D

 23 26  0  0  0  0  0  0  0  0999 V2000
    8.0667   -8.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4125   -8.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1792   -9.2250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2042   -7.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4417   -8.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4625   -7.5292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5250   -9.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0792   -7.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1917   -9.2792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9167   -7.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5375   -9.6042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.4042  -11.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4500  -13.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6000  -14.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5667  -11.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4792  -15.4417    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.0792   -5.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -12.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7667   -7.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8792  -13.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8375  -11.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9167   -5.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7625   -5.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  7  1  2  0  0  0  0
  8  1  1  0  0  0  0
  9  7  1  0  0  0  0
 10  8  2  0  0  0  0
 11  5  1  0  0  0  0
 12 11  1  0  0  0  0
 13 15  2  0  0  0  0
 14 13  1  0  0  0  0
 15 12  1  0  0  0  0
 16 14  1  0  0  0  0
 17  8  1  0  0  0  0
 18 21  2  0  0  0  0
 19 10  1  0  0  0  0
 20 18  1  0  0  0  0
 21 15  1  0  0  0  0
 22 17  2  0  0  0  0
 23 22  1  0  0  0  0
 10  9  1  0  0  0  0
  6  5  2  0  0  0  0
 23 19  2  0  0  0  0
 14 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,219)
1219

>  <Formula> (1,219)
C17H12ClN3OS

>  <MolWeight> (1,219)
341.81468

>  <COMPOUND_NAME> (1,219)
WAY-385811

>  <BAR_CODE_NO> (1,219)
2547852

$$$$
WAY-385832
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -3.4228    7.6846    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4730   -4.1904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6020    5.6804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5353   -0.2904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2522   -2.2946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5647   -4.7446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7397   -3.2321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3772   -6.2279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6770    1.6971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4895    3.6429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2270    9.6846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4145    6.4929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1980   -4.9779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8147   -7.9696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9772   -6.3071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2228   -0.2904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4270    8.8638    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0645   -2.2946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6895   -2.2946    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3480   -0.1779    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4855   -5.4821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9397   -8.2946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0730   -7.0821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9270    5.7304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0228    1.7221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1228    3.7554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3978   11.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  1  1  0  0  0  0
  4  9  1  0  0  0  0
  5 18  1  0  0  0  0
  6  2  1  0  0  0  0
  7  2  1  0  0  0  0
  8  2  1  0  0  0  0
  9 10  1  0  0  0  0
 10  3  2  0  0  0  0
 11  1  2  0  0  0  0
 12  1  2  0  0  0  0
 13  7  1  0  0  0  0
 14  8  1  0  0  0  0
 15  6  1  0  0  0  0
 16  4  1  0  0  0  0
 17  1  1  0  0  0  0
 18 16  1  0  0  0  0
 19  4  2  0  0  0  0
 20  5  2  0  0  0  0
 21 13  1  0  0  0  0
 22 14  1  0  0  0  0
 23 14  1  0  0  0  0
 24  3  1  0  0  0  0
 25 26  1  0  0  0  0
 26 24  2  0  0  0  0
 27 17  1  0  0  0  0
 25  9  2  0  0  0  0
 23 13  1  0  0  0  0
 22 15  1  0  0  0  0
 15 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,220)
1220

>  <Formula> (1,220)
C20H25NO5S

>  <MolWeight> (1,220)
391.4812

>  <COMPOUND_NAME> (1,220)
WAY-385832

>  <BAR_CODE_NO> (1,220)
2547948

$$$$
WAY-385860
csChFnd80/06171916322D

 24 27  0  0  0  0  0  0  0  0999 V2000
    8.0500   -8.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3875   -8.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1542   -9.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1750   -7.0792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4125   -8.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4292   -7.5042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000   -9.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0625   -7.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1792   -9.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9042   -7.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5000   -9.5750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.5167  -11.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3667  -10.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8000  -11.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3792  -13.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0625   -5.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7542   -7.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0917  -13.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5250  -14.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9042   -5.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7417   -5.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9750  -15.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3917  -15.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1167  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  7  1  2  0  0  0  0
  8  1  1  0  0  0  0
  9  7  1  0  0  0  0
 10  8  2  0  0  0  0
 11  5  1  0  0  0  0
 12 13  1  0  0  0  0
 13 11  1  0  0  0  0
 14 12  2  0  0  0  0
 15 12  1  0  0  0  0
 16  8  1  0  0  0  0
 17 10  1  0  0  0  0
 18 15  1  0  0  0  0
 19 15  2  0  0  0  0
 20 16  2  0  0  0  0
 21 20  1  0  0  0  0
 22 18  2  0  0  0  0
 23 19  1  0  0  0  0
 24 23  2  0  0  0  0
 10  9  1  0  0  0  0
  6  5  2  0  0  0  0
 21 17  2  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,221)
1221

>  <Formula> (1,221)
C18H13N3O2S

>  <MolWeight> (1,221)
335.37972

>  <COMPOUND_NAME> (1,221)
WAY-385860

>  <BAR_CODE_NO> (1,221)
2547932

$$$$
WAY-385983
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.6375   -0.0917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5292   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3292    1.4500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2292    1.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9042    2.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1542   -5.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3667   -3.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1042   -7.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2417   -5.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2875   -3.6542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4125   -5.3167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4792   -1.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4042   -1.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1250   -8.6792    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4250    2.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9042    4.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1417   -3.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0125   -7.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0667   -3.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    5.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333    4.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -5.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  9  1  0  0  0  0
  7 13  1  0  0  0  0
  8  6  2  0  0  0  0
  9 10  1  0  0  0  0
 10  7  1  0  0  0  0
 11  7  2  0  0  0  0
 12  2  1  0  0  0  0
 13 12  1  0  0  0  0
 14  8  1  0  0  0  0
 15  4  2  0  0  0  0
 16  5  2  0  0  0  0
 17  6  1  0  0  0  0
 18  8  1  0  0  0  0
 19 17  2  0  0  0  0
 20 21  2  0  0  0  0
 21 15  1  0  0  0  0
 22 19  1  0  0  0  0
  3  5  1  0  0  0  0
 16 20  1  0  0  0  0
 18 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,222)
1222

>  <Formula> (1,222)
C17H14FNO2S

>  <MolWeight> (1,222)
315.3619632

>  <COMPOUND_NAME> (1,222)
WAY-385983

>  <BAR_CODE_NO> (1,222)
2548020

$$$$
WAY-386174
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
    8.6042  -12.3667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2333   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1125   -3.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5292  -10.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3000    0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0875   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1750   -4.9250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3083   -3.0917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1500   -1.2667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6042   -8.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2792  -10.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4333    0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2333    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9750   -3.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2375   -6.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4708    4.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1667   -8.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4167   -6.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3458    4.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4500    2.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5500  -14.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7042  -12.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4917    6.0667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7500  -14.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6042  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6917  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8  2  2  0  0  0  0
  9  3  2  0  0  0  0
 10  4  2  0  0  0  0
 11  4  1  0  0  0  0
 12  5  2  0  0  0  0
 13  5  1  0  0  0  0
 14  3  1  0  0  0  0
 15 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 11  2  0  0  0  0
 18 10  1  0  0  0  0
 19 13  2  0  0  0  0
 20 12  1  0  0  0  0
 21  1  1  0  0  0  0
 22  1  1  0  0  0  0
 23 16  1  0  0  0  0
 24 22  1  0  0  0  0
 25 21  1  0  0  0  0
 26 24  1  0  0  0  0
 25 26  1  0  0  0  0
 15 18  2  0  0  0  0
 16 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,223)
1223

>  <Formula> (1,223)
C20H22N2O4

>  <MolWeight> (1,223)
354.39968

>  <COMPOUND_NAME> (1,223)
WAY-386174

>  <BAR_CODE_NO> (1,223)
2548301

$$$$
WAY-386180
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    5.7417   -3.5042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1542   -2.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9167   -2.0792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7417   -2.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9167   -3.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5042   -2.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1542   -4.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9542   -4.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3542   -4.9125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9792   -2.7917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3417   -3.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7542   -5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5667   -7.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5917   -5.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3125   -6.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0042   -6.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7250   -7.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1667   -1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5042   -4.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750   -2.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9792   -7.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750   -4.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2625   -3.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  6  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  2  2  0  0  0  0
 11  8  2  0  0  0  0
 12  9  1  0  0  0  0
 13 17  2  0  0  0  0
 14 12  1  0  0  0  0
 15 12  2  0  0  0  0
 16 14  2  0  0  0  0
 17 15  1  0  0  0  0
 18  4  1  0  0  0  0
 19  5  2  0  0  0  0
 20  6  2  0  0  0  0
 21 13  1  0  0  0  0
 22 19  1  0  0  0  0
 23 22  2  0  0  0  0
  3  4  2  0  0  0  0
 20 23  1  0  0  0  0
 13 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,224)
1224

>  <Formula> (1,224)
C18H17N3O2

>  <MolWeight> (1,224)
307.34648

>  <COMPOUND_NAME> (1,224)
WAY-386180

>  <BAR_CODE_NO> (1,224)
2548287

$$$$
WAY-386220
csChFnd80/06171916322D

 24 25  0  0  0  0  0  0  0  0999 V2000
   10.0417   -8.9667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.4542   -9.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5625   -7.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0875   -6.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9167   -6.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3250   -9.3875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7542   -8.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6250   -8.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1542   -6.8500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3292   -6.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6750   -6.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3875   -7.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1542   -8.2667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0542  -10.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2792   -9.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0875   -7.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6625   -5.4167    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.8000   -8.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9167   -7.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8500   -6.8500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.4750  -11.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6917  -10.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2917  -11.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7042  -11.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3 12  1  0  0  0  0
  4  5  2  0  0  0  0
  5 10  1  0  0  0  0
  6  1  2  0  0  0  0
  7  1  2  0  0  0  0
  8  1  1  0  0  0  0
  9  3  1  0  0  0  0
 10  9  1  0  0  0  0
 11 16  2  0  0  0  0
 12 18  1  0  0  0  0
 13  3  2  0  0  0  0
 14  2  1  0  0  0  0
 15  2  2  0  0  0  0
 16 19  1  0  0  0  0
 17  4  1  0  0  0  0
 18  8  1  0  0  0  0
 19 10  2  0  0  0  0
 20 11  1  0  0  0  0
 21 14  2  0  0  0  0
 22 15  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 21 23  1  0  0  0  0
  4 11  1  0  0  0  0
M  END
>  <Mol_ID> (1,225)
1225

>  <Formula> (1,225)
C16H16Cl2N2O3S

>  <MolWeight> (1,225)
387.28084

>  <COMPOUND_NAME> (1,225)
WAY-386220

>  <BAR_CODE_NO> (1,225)
2548365

$$$$
WAY-386315
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
   10.6167   -6.3875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4917   -9.4542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.7625   -7.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4292   -6.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6792   -4.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3542   -7.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6917   -9.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8875   -4.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5417   -3.2917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4542   -4.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000   -3.3167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3042   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7667   -4.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9167   -6.2167    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.9792   -8.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2875   -4.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8292  -11.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1250   -7.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7542   -1.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4542   -1.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9167   -3.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0667   -4.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1292   -9.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0500  -11.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  6  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  2  0  0  0  0
  7  3  1  0  0  0  0
  8  5  1  0  0  0  0
  9  5  2  0  0  0  0
 10 12  2  0  0  0  0
 11  8  1  0  0  0  0
 12 11  1  0  0  0  0
 13 10  1  0  0  0  0
 14 13  1  0  0  0  0
 15  3  2  0  0  0  0
 16  4  1  0  0  0  0
 17  7  2  0  0  0  0
 18  6  1  0  0  0  0
 19 20  2  0  0  0  0
 20 12  1  0  0  0  0
 21 19  1  0  0  0  0
 22 16  2  0  0  0  0
 23 15  1  0  0  0  0
 24 22  1  0  0  0  0
 25 23  2  0  0  0  0
  7  2  1  0  0  0  0
 24 18  2  0  0  0  0
 17 25  1  0  0  0  0
 13 21  2  0  0  0  0
M  END
>  <Mol_ID> (1,226)
1226

>  <Formula> (1,226)
C20H14FNO2S

>  <MolWeight> (1,226)
351.3940632

>  <COMPOUND_NAME> (1,226)
WAY-386315

>  <BAR_CODE_NO> (1,226)
2548387

$$$$
WAY-386336
csChFnd80/06171916322D

 29 31  0  0  0  0  0  0  0  0999 V2000
    4.4042   -5.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8042   -5.2542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.7417   -6.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4792   -7.2792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9292   -7.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1625  -14.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9625  -13.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5625  -10.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3542   -9.1542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9792  -10.5167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2292   -4.8417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3292  -11.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5375  -13.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5792   -7.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1792  -11.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8375   -5.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2375   -6.4167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.3750   -6.4375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5292  -15.4250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.3542  -16.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.8042  -13.8167    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.6667   -4.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0125   -7.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9167  -11.9000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.6042   -6.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167   -2.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7083   -4.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042   -7.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9375   -6.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  2  0  0  0  0
  5  4  1  0  0  0  0
  6  7  1  0  0  0  0
  7 13  1  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
 10  8  2  0  0  0  0
 11  1  1  0  0  0  0
 12  8  1  0  0  0  0
 13 12  2  0  0  0  0
 14 23  1  0  0  0  0
 15 10  1  0  0  0  0
 16 11  1  0  0  0  0
 17  3  1  0  0  0  0
 18 14  2  0  0  0  0
 19  6  1  0  0  0  0
 20  6  1  0  0  0  0
 21  6  1  0  0  0  0
 22 16  1  0  0  0  0
 23 17  1  0  0  0  0
 24 12  1  0  0  0  0
 25 16  2  0  0  0  0
 26 22  1  0  0  0  0
 27 22  2  0  0  0  0
 28 25  1  0  0  0  0
 29 28  2  0  0  0  0
  5  3  2  0  0  0  0
 29 27  1  0  0  0  0
  7 15  2  0  0  0  0
M  END
>  <Mol_ID> (1,227)
1227

>  <Formula> (1,227)
C17H13ClF3N5OS2

>  <MolWeight> (1,227)
459.8962296

>  <COMPOUND_NAME> (1,227)
WAY-386336

>  <BAR_CODE_NO> (1,227)
2548404

$$$$
WAY-386584
csChFnd80/06171916322D

 23 26  0  0  0  0  0  0  0  0999 V2000
   -0.0549    0.8279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3342    0.3141    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1348    2.2210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1106   -0.0135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5342    1.1555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4031   -1.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3342    2.5900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5037    2.7796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5037    0.4693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8376    0.6382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2135   -2.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6583   -1.9100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4652    3.4313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7141    1.8934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9790    1.4796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1106   -1.4273    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7687    2.9141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8279   -1.9100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2520   -1.6859    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3348   -3.1100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2279   -2.9169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1279   -0.4514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7348   -4.1204    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 14  2  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
 13 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
  5  7  2  0  0  0  0
  9 14  1  0  0  0  0
 15 17  1  0  0  0  0
 21 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,228)
1228

>  <Formula> (1,228)
C17H18N4OS

>  <MolWeight> (1,228)
326.41602

>  <COMPOUND_NAME> (1,228)
WAY-386584

>  <BAR_CODE_NO> (1,228)
2548428

$$$$
WAY-386663
csChFnd80/06171916322D

 28 29  0  0  0  0  0  0  0  0999 V2000
    4.0417  -14.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9167  -13.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6667  -10.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5375   -8.7042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9750  -10.1375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4750  -11.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6042  -13.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542   -1.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7167   -7.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1000  -11.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5750   -2.7667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.6292    0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5167   -5.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5917   -5.7875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6375   -7.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5042  -15.4042    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.1625  -16.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.5917  -13.6542    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.2042   -5.7167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6917   -4.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7750    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7917    1.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0375   -7.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1792  -11.6667    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.8333   -2.7042    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.1000    1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6667    3.1083    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  5  2  0  0  0  0
  4  3  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  2  0  0  0  0
  7  2  1  0  0  0  0
  8 11  1  0  0  0  0
  9  4  1  0  0  0  0
 10  2  2  0  0  0  0
 11 21  1  0  0  0  0
 12  8  2  0  0  0  0
 13 20  1  0  0  0  0
 14  8  1  0  0  0  0
 15  9  2  0  0  0  0
 16 13  2  0  0  0  0
 17  1  1  0  0  0  0
 18  1  1  0  0  0  0
 19  1  1  0  0  0  0
 20 24  1  0  0  0  0
 21 13  1  0  0  0  0
 22 14  2  0  0  0  0
 23 12  1  0  0  0  0
 24  9  1  0  0  0  0
 25  6  1  0  0  0  0
 26 14  1  0  0  0  0
 27 22  1  0  0  0  0
 28 23  1  0  0  0  0
  6  3  1  0  0  0  0
 27 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,229)
1229

>  <Formula> (1,229)
C16H10Cl3F3N2O3S

>  <MolWeight> (1,229)
473.6814096

>  <COMPOUND_NAME> (1,229)
WAY-386663

>  <BAR_CODE_NO> (1,229)
2548511

$$$$
WAY-386712
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -2.2208    0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208   -1.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3500    0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8375    1.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7625    1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8417   -3.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083    3.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1208    1.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5958    3.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9667   -3.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8042   -1.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8542   -4.9167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2375   -3.1667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9625   -4.8792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8500   -1.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6333    3.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8917    3.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2000    4.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8250   -3.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8917   -4.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9417   -4.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -3.1167    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.9500   -1.3792    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.8875   -3.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8917   -6.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9375   -6.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9250   -3.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6 19  1  0  0  0  0
  7  5  1  0  0  0  0
  8  3  1  0  0  0  0
  9  4  1  0  0  0  0
 10 14  1  0  0  0  0
 11  2  1  0  0  0  0
 12  6  1  0  0  0  0
 13  2  2  0  0  0  0
 14 21  1  0  0  0  0
 15  6  2  0  0  0  0
 16  7  1  0  0  0  0
 17  9  1  0  0  0  0
 18  7  1  0  0  0  0
 19 11  1  0  0  0  0
 20 12  1  0  0  0  0
 21 26  2  0  0  0  0
 22 10  1  0  0  0  0
 23 10  1  0  0  0  0
 24 20  1  0  0  0  0
 25 20  2  0  0  0  0
 26 25  1  0  0  0  0
 27 24  2  0  0  0  0
  9 18  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
 27 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,230)
1230

>  <Formula> (1,230)
C20H23F2NO4

>  <MolWeight> (1,230)
379.3977264

>  <COMPOUND_NAME> (1,230)
WAY-386712

>  <BAR_CODE_NO> (1,230)
2548579

$$$$
WAY-386728
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   12.6250   -1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1292   -0.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1917    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.5417   -1.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6375   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5292   -0.4667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.0417   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1667   -0.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2250    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7125   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6042   -0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6042   -0.1417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.3250   -1.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0750   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6542   -1.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7667    1.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2042   -1.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2417   -2.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0292   -3.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9042   -3.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  2  0  0  0  0
  3  5  1  0  0  0  0
  4  1  2  0  0  0  0
  5 12  1  0  0  0  0
  6  4  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  3  2  0  0  0  0
 10  9  1  0  0  0  0
 11  7  2  0  0  0  0
 12 14  1  0  0  0  0
 13  4  1  0  0  0  0
 14  7  1  0  0  0  0
 15  8  1  0  0  0  0
 16  9  1  0  0  0  0
 17 13  2  0  0  0  0
 18 13  1  0  0  0  0
 19 17  1  0  0  0  0
 20 18  2  0  0  0  0
 21 20  1  0  0  0  0
  6 11  1  0  0  0  0
 21 19  2  0  0  0  0
  8 10  2  0  0  0  0
M  END
>  <Mol_ID> (1,231)
1231

>  <Formula> (1,231)
C14H12N4OS2

>  <MolWeight> (1,231)
316.40128

>  <COMPOUND_NAME> (1,231)
WAY-386728

>  <BAR_CODE_NO> (1,231)
2548652

$$$$
WAY-386759
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
    8.9792   -5.1042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7792   -5.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7667   -6.7375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7167   -6.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9542   -7.1417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3917   -3.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3917   -8.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9750   -6.1292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.0000   -9.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3417  -10.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8000   -7.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9875  -11.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7750   -4.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5542   -2.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7542   -3.2292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3917   -6.1917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2750   -9.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5917   -7.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2625  -11.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1000  -10.4292    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.8625  -10.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -12.8292    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   10.6167   -3.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6042   -4.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9167   -2.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6167   -5.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9250   -3.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3250   -3.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9542   -1.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0167   -2.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1917   -1.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  1  1  0  0  0  0
  7 11  1  0  0  0  0
  8  4  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  2  0  0  0  0
 11 18  1  0  0  0  0
 12 10  1  0  0  0  0
 13  2  1  0  0  0  0
 14  6  2  0  0  0  0
 15 25  1  0  0  0  0
 16 11  2  0  0  0  0
 17  9  1  0  0  0  0
 18  8  1  0  0  0  0
 19 21  1  0  0  0  0
 20 10  1  0  0  0  0
 21 17  2  0  0  0  0
 22 19  1  0  0  0  0
 23  6  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  2  0  0  0  0
 26 13  2  0  0  0  0
 27 13  1  0  0  0  0
 28 14  1  0  0  0  0
 29 14  1  0  0  0  0
 30 23  2  0  0  0  0
 31 30  1  0  0  0  0
  5  3  1  0  0  0  0
 29 31  2  0  0  0  0
 24 15  2  0  0  0  0
 12 19  2  0  0  0  0
M  END
>  <Mol_ID> (1,232)
1232

>  <Formula> (1,232)
C22H17BrFN5OS

>  <MolWeight> (1,232)
498.3706832

>  <COMPOUND_NAME> (1,232)
WAY-386759

>  <BAR_CODE_NO> (1,232)
2548658

$$$$
WAY-386776
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -0.5333   -4.1042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458   -3.4417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292   -1.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333   -2.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7792   -1.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042   -1.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8667   -1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2000   -2.2917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2750   -1.9792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3125   -3.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3125   -3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2917   -0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583   -4.9042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1375   -4.6542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1417   -0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6792   -1.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6375    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333   -0.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9542   -0.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0250   -2.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2167   -1.3417    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.0250   -4.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0125    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0292   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7458   -3.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7458   -3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8333    0.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  9  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  2  0  0  0  0
  6  5  1  0  0  0  0
  7  8  1  0  0  0  0
  8  3  1  0  0  0  0
  9  4  1  0  0  0  0
 10 11  1  0  0  0  0
 11  1  1  0  0  0  0
 12  5  1  0  0  0  0
 13  1  2  0  0  0  0
 14  1  2  0  0  0  0
 15  6  1  0  0  0  0
 16  7  1  0  0  0  0
 17 12  2  0  0  0  0
 18 12  1  0  0  0  0
 19 15  1  0  0  0  0
 20 10  2  0  0  0  0
 21 16  1  0  0  0  0
 22 11  2  0  0  0  0
 23 18  1  0  0  0  0
 24 21  1  0  0  0  0
 25 26  2  0  0  0  0
 26 22  1  0  0  0  0
 27 23  1  0  0  0  0
  4 10  1  0  0  0  0
 20 25  1  0  0  0  0
  6  7  2  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,233)
1233

>  <Formula> (1,233)
C19H20N2O4S2

>  <MolWeight> (1,233)
404.5031

>  <COMPOUND_NAME> (1,233)
WAY-386776

>  <BAR_CODE_NO> (1,233)
2548711

$$$$
WAY-386779
csChFnd80/06171916322D

 17 19  0  0  0  0  0  0  0  0999 V2000
    3.7320    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1961    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1961    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 11  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,234)
1234

>  <Formula> (1,234)
C12H13N3O2

>  <MolWeight> (1,234)
231.25052

>  <COMPOUND_NAME> (1,234)
WAY-386779

>  <BAR_CODE_NO> (1,234)
2548703

$$$$
WAY-386802
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -0.1886    0.8907    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6614    1.5449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0595    1.4907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2905    2.5157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7470    2.5157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1761   -0.1551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6114   -2.7176    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1261   -4.3551    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7364   -0.6676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7614   -1.7134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6822   -2.2134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1386   -3.3051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1470   -2.2593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6739    1.2866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0428    1.1449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0845   -0.7009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0595   -1.7551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2303    0.1074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4155    2.0366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9572    0.2616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8386    1.8282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9947   -0.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8345    1.4824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2428   -0.2426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4447    1.7741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0386    0.4449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7239    0.7616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  2  0  0  0  0
  6  1  1  0  0  0  0
  7 11  3  0  0  0  0
  8 12  3  0  0  0  0
  9  6  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 13  1  0  0  0  0
 13 17  2  0  0  0  0
 14  2  1  0  0  0  0
 15  3  1  0  0  0  0
 16  6  2  0  0  0  0
 17 16  1  0  0  0  0
 18 15  1  0  0  0  0
 19 14  1  0  0  0  0
 20 14  2  0  0  0  0
 21 15  2  0  0  0  0
 22 20  1  0  0  0  0
 23 21  1  0  0  0  0
 24 18  2  0  0  0  0
 25 19  2  0  0  0  0
 26 24  1  0  0  0  0
 27 22  2  0  0  0  0
  5  4  1  0  0  0  0
 13 10  1  0  0  0  0
 26 23  2  0  0  0  0
 27 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,235)
1235

>  <Formula> (1,235)
C22H13N5

>  <MolWeight> (1,235)
347.37212

>  <COMPOUND_NAME> (1,235)
WAY-386802

>  <BAR_CODE_NO> (1,235)
2548531

$$$$
WAY-386930
csChFnd80/06171916322D

 24 25  0  0  0  0  0  0  0  0999 V2000
   -0.1625   -0.4375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833    0.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542   -0.8500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5875    2.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833   -1.1542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542    0.2833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000   -0.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3000    2.4625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6917    2.0583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3208    0.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667   -0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3208   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708    2.4583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2625    0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000   -1.2542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9792    0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9792    1.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542   -1.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4125    1.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8875   -1.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6917    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4125    0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  2  0  0  0  0
  6  5  1  0  0  0  0
  7  1  2  0  0  0  0
  8  1  2  0  0  0  0
  9  2  2  0  0  0  0
 10  6  2  0  0  0  0
 11 19  2  0  0  0  0
 12 14  2  0  0  0  0
 13  4  1  0  0  0  0
 14  9  1  0  0  0  0
 15  6  1  0  0  0  0
 16 13  1  0  0  0  0
 17  9  1  0  0  0  0
 18 16  1  0  0  0  0
 19 18  1  0  0  0  0
 20  4  1  0  0  0  0
 21 24  2  0  0  0  0
 22 17  1  0  0  0  0
 23 18  2  0  0  0  0
 24 23  1  0  0  0  0
  5 12  1  0  0  0  0
 11 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,236)
1236

>  <Formula> (1,236)
C16H18N2O5S

>  <MolWeight> (1,236)
350.38952

>  <COMPOUND_NAME> (1,236)
WAY-386930

>  <BAR_CODE_NO> (1,236)
2548959

$$$$
WAY-386976
csChFnd80/06171916322D

 29 31  0  0  0  0  0  0  0  0999 V2000
    6.4792   -7.2667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000   -7.2625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8292   -6.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1000   -8.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9917   -5.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1542   -6.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1125   -7.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4292   -7.3292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5417   -8.2917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7042   -8.8167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8250   -5.9542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9542  -10.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5417   -7.0667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3792   -9.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9417  -10.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7167   -8.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7750   -8.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3417   -9.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8792   -4.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3167   -9.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7542   -8.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5667  -11.0250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2042   -5.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4000   -9.1625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2667   -9.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5625  -10.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -9.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9292   -4.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0917   -4.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8  1  2  0  0  0  0
  9  1  2  0  0  0  0
 10  7  1  0  0  0  0
 11  3  2  0  0  0  0
 12 15  1  0  0  0  0
 13  7  2  0  0  0  0
 14 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 10  1  0  0  0  0
 17 21  2  0  0  0  0
 18 20  1  0  0  0  0
 19  5  1  0  0  0  0
 20 16  1  0  0  0  0
 21 18  1  0  0  0  0
 22 12  1  0  0  0  0
 23  6  1  0  0  0  0
 24 14  1  0  0  0  0
 25 10  1  0  0  0  0
 26 22  1  0  0  0  0
 27 24  1  0  0  0  0
 28 29  1  0  0  0  0
 29 23  2  0  0  0  0
  3  5  1  0  0  0  0
 28 19  2  0  0  0  0
 14 12  2  0  0  0  0
M  END
>  <Mol_ID> (1,237)
1237

>  <Formula> (1,237)
C20H22N2O6S

>  <MolWeight> (1,237)
418.46348

>  <COMPOUND_NAME> (1,237)
WAY-386976

>  <BAR_CODE_NO> (1,237)
2548882

$$$$
WAY-387108
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
   11.9792   -9.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8292   -9.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2500   -8.4792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5542  -10.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1042   -8.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5375   -8.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7042  -10.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5042   -7.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2667  -10.4542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0250   -6.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2667   -9.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6917   -8.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9875  -11.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4917   -5.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4167   -9.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5125   -9.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2917   -7.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8292  -11.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2875   -5.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0542   -4.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -10.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7125   -8.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3125   -9.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6667   -4.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4500   -3.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3042   -3.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  2  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8  5  2  0  0  0  0
  9  2  2  0  0  0  0
 10  8  1  0  0  0  0
 11 12  1  0  0  0  0
 12  6  2  0  0  0  0
 13  4  1  0  0  0  0
 14 10  1  0  0  0  0
 15 11  1  0  0  0  0
 16  5  1  0  0  0  0
 17  8  1  0  0  0  0
 18 13  1  0  0  0  0
 19 14  1  0  0  0  0
 20 14  2  0  0  0  0
 21 15  1  0  0  0  0
 22 23  1  0  0  0  0
 23 16  2  0  0  0  0
 24 19  2  0  0  0  0
 25 20  1  0  0  0  0
 26 25  2  0  0  0  0
 11  7  2  0  0  0  0
 17 22  2  0  0  0  0
 26 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,238)
1238

>  <Formula> (1,238)
C22H21NO3

>  <MolWeight> (1,238)
347.40704

>  <COMPOUND_NAME> (1,238)
WAY-387108

>  <BAR_CODE_NO> (1,238)
2548920

$$$$
WAY-387802
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   12.1792  -12.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8000  -11.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.0792  -11.5375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.7292  -12.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8250  -13.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0917  -13.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8917  -12.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2542  -11.5750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -12.6250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2792  -13.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9667  -11.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7042  -10.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2000  -14.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7417  -14.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3125  -10.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0292  -10.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9500   -9.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8375  -15.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1167  -15.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3875   -9.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3125   -8.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0292   -8.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  6  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9  4  2  0  0  0  0
 10  7  2  0  0  0  0
 11  8  1  0  0  0  0
 12  3  1  0  0  0  0
 13  5  2  0  0  0  0
 14  6  2  0  0  0  0
 15 11  1  0  0  0  0
 16 15  1  0  0  0  0
 17 15  2  0  0  0  0
 18 13  1  0  0  0  0
 19 18  2  0  0  0  0
 20 16  2  0  0  0  0
 21 17  1  0  0  0  0
 22 21  2  0  0  0  0
  4  3  1  0  0  0  0
 14 19  1  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,239)
1239

>  <Formula> (1,239)
C17H15N3O2

>  <MolWeight> (1,239)
293.3199

>  <COMPOUND_NAME> (1,239)
WAY-387802

>  <BAR_CODE_NO> (1,239)
2549735

$$$$
WAY-387841
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
    6.0792    3.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6875    3.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8792    3.6333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1917    4.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7917    4.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9917    4.8792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7792    2.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1792    2.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6667    4.8917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9042    6.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9792    2.4583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2167    7.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3167    6.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9917    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042    6.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3417    8.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9292    8.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0292    7.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0542    9.7250    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.0750    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6625    6.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6625    3.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8667    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7542    0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1542    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  2  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  2  0  0  0  0
  9  6  1  0  0  0  0
 10  4  1  0  0  0  0
 11  2  2  0  0  0  0
 12 22  1  0  0  0  0
 13 10  1  0  0  0  0
 14 10  2  0  0  0  0
 15  9  1  0  0  0  0
 16  9  1  0  0  0  0
 17 19  2  0  0  0  0
 18 13  2  0  0  0  0
 19 14  1  0  0  0  0
 20 17  1  0  0  0  0
 21  7  1  0  0  0  0
 22 16  1  0  0  0  0
 23 15  1  0  0  0  0
 24  8  1  0  0  0  0
 25 21  2  0  0  0  0
 26 25  1  0  0  0  0
  3  4  2  0  0  0  0
 24 26  2  0  0  0  0
 17 18  1  0  0  0  0
 12 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,240)
1240

>  <Formula> (1,240)
C20H18BrN3O2

>  <MolWeight> (1,240)
412.27982

>  <COMPOUND_NAME> (1,240)
WAY-387841

>  <BAR_CODE_NO> (1,240)
2549925

$$$$
WAY-388000
csChFnd80/06171916322D

 28 30  0  0  0  0  0  0  0  0999 V2000
    6.8417   -3.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2292   -2.8667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.2292   -4.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2417   -4.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8875   -3.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2417   -3.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4625   -6.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8667   -7.5750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4042   -4.6042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9792   -5.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4125   -2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4292   -6.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0917   -5.7625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5542   -5.5500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   13.9250   -7.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0292   -5.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4542   -6.4042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4542   -4.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3417   -4.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3417   -2.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2417   -8.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5667   -6.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3167   -8.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4375   -4.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4375   -3.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3500   -8.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6000   -7.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7 12  1  0  0  0  0
  8  7  1  0  0  0  0
  9  5  1  0  0  0  0
 10 18  1  0  0  0  0
 11  5  2  0  0  0  0
 12 16  1  0  0  0  0
 13  7  2  0  0  0  0
 14  3  1  0  0  0  0
 15  8  1  0  0  0  0
 16 10  1  0  0  0  0
 17 10  2  0  0  0  0
 18  9  1  0  0  0  0
 19  4  2  0  0  0  0
 20  6  2  0  0  0  0
 21  8  1  0  0  0  0
 22 15  2  0  0  0  0
 23 15  1  0  0  0  0
 24 19  1  0  0  0  0
 25 20  1  0  0  0  0
 26 23  2  0  0  0  0
 27 22  1  0  0  0  0
 28 26  1  0  0  0  0
  6  4  1  0  0  0  0
 25 24  2  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <Mol_ID> (1,241)
1241

>  <Formula> (1,241)
C20H17ClN2O4S

>  <MolWeight> (1,241)
416.87798

>  <COMPOUND_NAME> (1,241)
WAY-388000

>  <BAR_CODE_NO> (1,241)
2549954

$$$$
WAY-388156
csChFnd80/06171916322D

 18 19  0  0  0  0  0  0  0  0999 V2000
    3.7000    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3875   -0.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7792    0.8125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5125    0.9708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8875    0.3208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0542   -0.3042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4042    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4042    0.8208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6292    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042    0.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9417   -0.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6875   -0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542    1.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958    0.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
 10  5  1  0  0  0  0
 11  9  1  0  0  0  0
 12 11  1  0  0  0  0
 13 11  2  0  0  0  0
 14 10  1  0  0  0  0
 15 14  1  0  0  0  0
 16 13  1  0  0  0  0
 17 12  2  0  0  0  0
 18 16  2  0  0  0  0
  4  5  1  0  0  0  0
 18 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,242)
1242

>  <Formula> (1,242)
C12H15N5O

>  <MolWeight> (1,242)
245.2804

>  <COMPOUND_NAME> (1,242)
WAY-388156

>  <BAR_CODE_NO> (1,242)
2549914

$$$$
WAY-388237
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
    2.8601    3.7963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1501    4.9855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1098    7.3842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8197    6.1905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4503    2.5824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7167    7.3574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2442    3.8231    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8018    8.5825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9923    2.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.5422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1837    2.5891    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1894    1.2901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7593    4.9609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0470    6.1502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4503    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.1894    3.8231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0762    9.7942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6764    9.7718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6474    1.2901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6586    3.8231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3843    2.5488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  2  0  0  0  0
  4  2  1  0  0  0  0
  5  9  1  0  0  0  0
  6 14  2  0  0  0  0
  7  1  1  0  0  0  0
  8  3  1  0  0  0  0
  9  7  1  0  0  0  0
 10  6  1  0  0  0  0
 11  1  2  0  0  0  0
 12  5  2  0  0  0  0
 13  2  2  0  0  0  0
 14 13  1  0  0  0  0
 15 12  1  0  0  0  0
 16  5  1  0  0  0  0
 17  8  1  0  0  0  0
 18 10  1  0  0  0  0
 19 12  1  0  0  0  0
 20 16  2  0  0  0  0
 21 20  1  0  0  0  0
  3  6  1  0  0  0  0
 21 19  2  0  0  0  0
 18 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,243)
1243

>  <Formula> (1,243)
C16H13FO4

>  <MolWeight> (1,243)
288.2704232

>  <COMPOUND_NAME> (1,243)
WAY-388237

>  <BAR_CODE_NO> (1,243)
2550191

$$$$
WL-164379
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -3.5157   -3.2429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5405   -1.8602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1144   -3.8258    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7497   -4.1234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1330   -1.2463    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7993   -0.9983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1533   -2.5236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1386   -3.3545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1758   -1.7796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3782   -2.5112    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5151   -1.0169    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8743   -1.0479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4182   -1.0355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1871    0.3224    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1871   -2.3376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7249    0.3472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4813    1.6928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5185   -0.9735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0191    1.7114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6877    3.0135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0563   -0.9487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7683   -2.3190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8066    0.3906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6736    4.1978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7852   -3.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  6  9  2  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 18 22  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  1  0  0  0  0
 22 25  1  0  0  0  0
  5  7  1  0  0  0  0
  8  9  1  0  0  0  0
 21 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,244)
1244

>  <Formula> (1,244)
C19H21N3OS2

>  <MolWeight> (1,244)
371.51954

>  <COMPOUND_NAME> (1,244)
WL-164379

>  <BAR_CODE_NO> (1,244)
3909529

$$$$
WL-189258
csChFnd80/06171916322D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -1.7404   -0.6578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3818   -0.2164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7404   -2.0923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9852    0.0560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0562    1.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4562   -1.3751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3818   -2.5337    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9852   -2.8095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2231   -0.6578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4596    1.4353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8956    2.2042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8872   -1.3751    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2231   -2.0923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9010    2.8008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4148    0.3698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3044    3.1008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8182    0.6698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2596    2.0353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  8 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  2  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
  6  7  1  0  0  0  0
  9 13  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (1,245)
1245

>  <Formula> (1,245)
C15H15NOS

>  <MolWeight> (1,245)
257.3507

>  <COMPOUND_NAME> (1,245)
WL-189258

>  <BAR_CODE_NO> (1,245)
3909812

$$$$
CL-255413
csChFnd80/06171916322D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -1.4304    0.3464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1373   -0.0743    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4304    1.7016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6097   -0.3329    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2765   -1.3639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6558    1.0223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1373    2.1223    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6097    2.3809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7891    0.3464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6040   -1.6501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7891    1.7016    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6097    3.7430    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0247   -2.9432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5144   -0.6398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3558   -3.2260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8454   -0.9191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2661   -2.2156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  8 11  2  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  2  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
  6  7  2  0  0  0  0
  9 11  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (1,246)
1246

>  <Formula> (1,246)
C12H11N5

>  <MolWeight> (1,246)
225.24924

>  <COMPOUND_NAME> (1,246)
CL-255413

>  <BAR_CODE_NO> (1,246)
3911649

$$$$
CL-278217
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -0.5873   -0.2761    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.0554   -0.7406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6486    0.6179    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.3068   -1.5120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0650    1.1877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0554   -2.2877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3833    0.0131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4908    2.1650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0685    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5873   -2.7654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8538   -1.5120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3833   -3.0590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7331   -0.7406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7442    3.0590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9116    2.7829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3219    0.8940    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -4.7331   -2.2877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1554    2.4411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7331    0.2761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  8 15  2  0  0  0  0
  9 16  1  0  0  0  0
 12 17  2  0  0  0  0
 14 18  1  0  0  0  0
 16 19  1  0  0  0  0
  6 10  1  0  0  0  0
 13 17  1  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,247)
1247

>  <Formula> (1,247)
C15H17NO3

>  <MolWeight> (1,247)
259.30038

>  <COMPOUND_NAME> (1,247)
CL-278217

>  <BAR_CODE_NO> (1,247)
3911923

$$$$
CL-400846
csChFnd80/06171916322D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.2505   -0.6806    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1536    0.5860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4063   -0.1981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6672    0.5860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9222   -0.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7246   -0.3751    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2813    0.2392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0215    1.0187    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9735    1.9905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2235    1.1947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8015    0.1030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3723   -1.2512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1598   -1.5053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1973   -0.4512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3348   -2.3095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6390    1.2531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  4  5  2  0  0  0  0
  2  3  2  0  0  0  0
  5  6  1  0  0  0  0
  1  5  1  0  0  0  0
  6  7  2  0  0  0  0
  9 10  2  0  0  0  0
 10  8  1  0  0  0  0
  3 14  1  0  0  0  0
  4  2  1  0  0  0  0
 14 12  1  0  0  0  0
  7  8  1  0  0  0  0
 12 13  1  0  0  0  0
  3  1  1  0  0  0  0
 11 14  2  0  0  0  0
 10  4  1  0  0  0  0
 13 15  1  0  0  0  0
  2 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,248)
1248

>  <Formula> (1,248)
C10H10N2O3S

>  <MolWeight> (1,248)
238.263

>  <COMPOUND_NAME> (1,248)
CL-400846

>  <BAR_CODE_NO> (1,248)
3912495

$$$$
CL-414988
csChFnd80/06171916322D

 22 25  0  0  0  0  0  0  0  0999 V2000
   -0.0993    1.2828    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2670    0.9413    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5577    1.2590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1430    0.0437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0993    2.7404    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6800   -0.3614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1924    1.9779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5577   -0.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8128    1.9342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2670   -0.6990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7586   -0.4965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4020    3.2647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1138   -0.7665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6672   -1.3941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6380    1.7793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6857   -0.7864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0043    1.2392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4990   -2.2281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0287   -2.8556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9805   -0.2026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4624   -3.2647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9010   -2.6332    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  8  2  0  0  0  0
  3  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  2  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  2  0  0  0  0
  7 15  2  0  0  0  0
  8 16  1  0  0  0  0
  9 17  2  0  0  0  0
 13 18  2  0  0  0  0
 14 19  1  0  0  0  0
 16 20  2  0  0  0  0
 18 21  1  0  0  0  0
 18 22  1  0  0  0  0
  7 12  1  0  0  0  0
  8 10  1  0  0  0  0
 17 20  1  0  0  0  0
 19 21  2  0  0  0  0
M  END
>  <Mol_ID> (1,249)
1249

>  <Formula> (1,249)
C16H11FN2O2S

>  <MolWeight> (1,249)
314.3341432

>  <COMPOUND_NAME> (1,249)
CL-414988

>  <BAR_CODE_NO> (1,249)
3912237

$$$$
CL-418172
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
    1.0263   -0.0092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2912    0.7535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0263   -1.5209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4964    0.4623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6319   -0.0092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2912    2.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2912   -2.3346    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4964   -2.0387    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.3932   -0.7582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9587    1.9370    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6319   -1.5209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9633    0.8090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6319    3.0696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9142   -0.7582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9633   -2.3346    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9633    2.3207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1202    3.3054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8677    4.5998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7139   -2.1404    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7139    0.5732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9633   -3.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2947   -1.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2947   -4.5998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6261   -2.3808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6261   -3.8417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  0  0  0  0
 14 19  1  0  0  0  0
 14 20  2  0  0  0  0
 15 21  1  0  0  0  0
 15 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
  7 11  2  0  0  0  0
  8  9  1  0  0  0  0
 13 16  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,250)
1250

>  <Formula> (1,250)
C17H22N4O3S

>  <MolWeight> (1,250)
362.44658

>  <COMPOUND_NAME> (1,250)
CL-418172

>  <BAR_CODE_NO> (1,250)
3912466

$$$$
GI-532967
csChFnd80/06171916322D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -0.6805    0.9138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6805   -0.6318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6610    1.6866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1483    1.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6610   -1.4047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1483   -1.1082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9830    0.9138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0329    0.1410    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.9830   -0.6318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3099    1.6866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5785    0.1410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3099   -1.4047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6465    0.9138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5785    1.6866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1241    0.1410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5785   -1.4047    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.6465   -0.6318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0123   -1.4047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  2  0  0  0  0
 11 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 17 18  2  0  0  0  0
  6  8  1  0  0  0  0
  7  9  2  0  0  0  0
 13 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,251)
1251

>  <Formula> (1,251)
C14H13ClO3

>  <MolWeight> (1,251)
264.70422

>  <COMPOUND_NAME> (1,251)
GI-532967

>  <BAR_CODE_NO> (1,251)
3913609

$$$$
GI-559759
csChFnd80/06171916322D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -0.1759    0.5175    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1759   -0.3825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5966    0.9658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9552    0.9658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5966   -0.8238    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9552   -0.8238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3759    0.5175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5966    1.8589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7345    0.5175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3759   -0.3825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7345   -0.3825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9552   -1.7238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1448   -0.8238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  6 12  1  0  0  0  0
 10 13  1  0  0  0  0
  7 10  2  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <Mol_ID> (1,252)
1252

>  <Formula> (1,252)
C9H8N2O2

>  <MolWeight> (1,252)
176.17202

>  <COMPOUND_NAME> (1,252)
GI-559759

>  <BAR_CODE_NO> (1,252)
3913481

$$$$
GI-570206
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    0.3473    1.9107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1197    1.4694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4148    1.4694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3473    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1197    0.5935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8921    1.9107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1769    1.9107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4148    0.5832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1197    3.2487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3680    0.1038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8749    0.1418    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8921    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9389    1.4694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1769    0.1418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4059   -0.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9389    0.5832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3493   -1.2617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3493   -2.1582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1010   -0.8306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4335   -2.5996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0941   -2.5996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4507   -3.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0941   -3.4962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3217   -3.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
 10 15  1  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
  9 12  2  0  0  0  0
 14 16  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,253)
1253

>  <Formula> (1,253)
C21H16O3

>  <MolWeight> (1,253)
316.34994

>  <COMPOUND_NAME> (1,253)
GI-570206

>  <BAR_CODE_NO> (1,253)
3911494

$$$$
WAY-113436
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -0.8687    0.2380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4100    0.2380    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6100    0.6898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6100   -0.2413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9480    0.2380    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4100    0.7863    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4100   -0.3033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0687    0.6898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0928   -0.2413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3100    0.6277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2307   -0.2413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2072    0.2104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8100    0.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7480   -0.1240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7520    0.2104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1072   -0.3723    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0313    0.6898    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6210   -0.3723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8900   -0.8033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8900    0.0346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3831   -0.8033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3831    0.0484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6313   -0.3413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6313   -1.2792    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
  9 12  2  0  0  0  0
 13 14  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,254)
1254

>  <Formula> (1,254)
C17H17FN2O3S

>  <MolWeight> (1,254)
348.3918832

>  <COMPOUND_NAME> (1,254)
WAY-113436

>  <BAR_CODE_NO> (1,254)
3911777

$$$$
WAY-307502
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -0.2517   -0.2276    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.2000   -0.7759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7103   -0.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2517    0.8828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000   -1.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1552   -0.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7103   -1.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6931   -0.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000    1.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7103    1.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2517   -2.4448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1552   -2.4448    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1172   -0.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1552    0.7448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6931   -2.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6448   -0.7690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6931    0.9069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000    2.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7310    2.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1172   -1.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6000   -0.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2517    3.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5621   -0.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2379    4.2069    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  2  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  2  0  0  0  0
  9 18  1  0  0  0  0
 10 19  2  0  0  0  0
 12 20  1  0  0  0  0
 16 21  1  0  0  0  0
 18 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
  7 11  1  0  0  0  0
 13 20  1  0  0  0  0
 19 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,255)
1255

>  <Formula> (1,255)
C17H17FN2O3S

>  <MolWeight> (1,255)
348.3918832

>  <COMPOUND_NAME> (1,255)
WAY-307502

>  <BAR_CODE_NO> (1,255)
3911300

$$$$
WAY-307518
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -2.0897    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9586    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6483   -0.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6483    0.9621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3966   -0.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3966    0.9621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0759   -1.9483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7862   -0.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7724    0.9621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0897    1.9586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7241   -0.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7241    0.9621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6483   -2.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3483   -1.9483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3483    1.9345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6586    2.9345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2897    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7724   -2.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7862    2.9207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3897    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9621   -0.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9621    0.9621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0759   -0.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0724    0.9621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6517    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7724    0.0000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.3759    0.9448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4276   -0.9172    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  2  0  0  0  0
 10 16  1  0  0  0  0
 11 17  1  0  0  0  0
 13 18  1  0  0  0  0
 15 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 12 17  1  0  0  0  0
 14 18  2  0  0  0  0
 16 19  2  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (1,256)
1256

>  <Formula> (1,256)
C23H23N3O2

>  <MolWeight> (1,256)
373.44762

>  <COMPOUND_NAME> (1,256)
WAY-307518

>  <BAR_CODE_NO> (1,256)
3911316

$$$$
WAY-307940
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -1.5828    0.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5828   -0.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0724    0.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0966    0.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0724   -0.7207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0966   -0.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5586    0.1586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0724    1.0414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6103    0.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5586   -0.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6000   -0.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0448    0.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4655    0.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9793    0.4586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4655   -0.4345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4897    0.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4897   -0.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5103    0.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0034   -0.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5172   -0.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0241    0.4655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
  7 10  1  0  0  0  0
  9 11  2  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (1,257)
1257

>  <Formula> (1,257)
C16H13N3O3

>  <MolWeight> (1,257)
295.29272

>  <COMPOUND_NAME> (1,257)
WAY-307940

>  <BAR_CODE_NO> (1,257)
3911816

$$$$
WAY-307945
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -1.6276    0.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0517   -0.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8034    0.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0172    0.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6517   -1.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8690   -0.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4034   -0.4828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3759    0.9379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8517    0.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8276   -1.1966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0759   -1.8828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2655    0.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4483    0.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4276   -1.9138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8483    0.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8724    1.6241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6690    0.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0586   -0.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0931    0.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8862   -0.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9103    0.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3172    0.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1448    0.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
  8 13  1  0  0  0  0
 10 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 22 23  1  0  0  0  0
  7 10  1  0  0  0  0
  9 12  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,258)
1258

>  <Formula> (1,258)
C18H17N3O2

>  <MolWeight> (1,258)
307.34648

>  <COMPOUND_NAME> (1,258)
WAY-307945

>  <BAR_CODE_NO> (1,258)
3911821

$$$$
WAY-307958
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -1.0758    0.9696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0758    0.3247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5206    1.2937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6378    1.2937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5206   -0.0063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6378   -0.0063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5206    1.9454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0415    0.9696    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1965    0.9696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0415    0.3247    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5206   -0.6304    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1965    0.3247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0415    2.2730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0758    2.2730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0415   -0.9753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0415    2.9213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0758    2.9213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0415   -1.6270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5932   -0.6304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5206    3.2454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5932   -1.9304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1553   -0.9753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1553   -1.6270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7242   -1.9546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7242   -2.5925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2760   -2.9270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2760   -3.5753    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8277   -2.5925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  2  0  0  0  0
  7 14  1  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  2  0  0  0  0
 18 21  1  0  0  0  0
 19 22  2  0  0  0  0
 21 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
  8 10  2  0  0  0  0
  9 12  1  0  0  0  0
 17 20  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,259)
1259

>  <Formula> (1,259)
C22H18N4O2

>  <MolWeight> (1,259)
370.40392

>  <COMPOUND_NAME> (1,259)
WAY-307958

>  <BAR_CODE_NO> (1,259)
3911834

$$$$
WAY-307970
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -2.2931    1.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5034    1.1966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2552    1.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9931    2.6862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7345    1.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5552    0.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0241    2.6966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2069    1.4966    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4931    0.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9138   -0.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4172    0.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7931   -0.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1931   -1.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3345    0.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1345   -1.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5552   -0.6931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0552    0.9069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4655   -0.9828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7069   -1.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1655   -0.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6276   -2.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0276   -2.6034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0966   -0.6034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3448   -1.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0966   -2.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7862    0.0586    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  2  0  0  0  0
  6 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  2  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  2  0  0  0  0
 21 24  2  0  0  0  0
 22 25  1  0  0  0  0
 23 26  1  0  0  0  0
  5  7  2  0  0  0  0
 13 15  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,260)
1260

>  <Formula> (1,260)
C18H16ClN3O3S

>  <MolWeight> (1,260)
389.85594

>  <COMPOUND_NAME> (1,260)
WAY-307970

>  <BAR_CODE_NO> (1,260)
3911848

$$$$
WAY-308040
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.9931    0.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9931   -0.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5517    0.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4138    0.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5517   -0.5828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4138   -0.5828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1310    0.1793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5310    0.9379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8310    0.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1310   -0.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8310   -0.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3724    0.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3069   -0.6034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7483   -0.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1690   -0.6207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7690    0.1586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6069   -0.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2069    0.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6276    0.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0276   -0.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2276    0.8966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0690    0.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 17 20  1  0  0  0  0
 18 21  2  0  0  0  0
 19 22  1  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,261)
1261

>  <Formula> (1,261)
C16H17N5O

>  <MolWeight> (1,261)
295.33908

>  <COMPOUND_NAME> (1,261)
WAY-308040

>  <BAR_CODE_NO> (1,261)
3911929

$$$$
WAY-308104
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -0.5276    0.1241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2241   -0.3034    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5621    0.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2241   -0.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1483   -1.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7966   -0.8276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7276   -0.0724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1517    1.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9241    0.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3276   -1.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9621   -1.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8759    0.9759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3276   -2.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9483   -2.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6034    1.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1276   -2.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6034    2.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4241    0.9276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1483   -3.7759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8276    2.8966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3517    2.8724    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4276   -4.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1724    3.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1034    3.7276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  2  0  0  0  0
 17 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
  9 12  1  0  0  0  0
 14 16  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (1,262)
1262

>  <Formula> (1,262)
C16H18N2O4S2

>  <MolWeight> (1,262)
366.45512

>  <COMPOUND_NAME> (1,262)
WAY-308104

>  <BAR_CODE_NO> (1,262)
3912002

$$$$
WAY-308121
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -2.8379    0.3483    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.2379    1.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3207    1.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1621   -0.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7414    1.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3586    0.5483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6172    0.3621    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -4.3241   -1.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0621    0.3759    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4069   -0.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5103   -1.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9276   -2.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4931    0.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2690    1.8138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8379   -1.0345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3966    1.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0103   -1.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8138    1.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4448   -1.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3448   -0.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7655   -0.4931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  2  0  0  0  0
  9 15  2  0  0  0  0
 13 16  1  0  0  0  0
 13 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
  6  7  1  0  0  0  0
  8 10  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,263)
1263

>  <Formula> (1,263)
C16H24N2O2S

>  <MolWeight> (1,263)
308.43896

>  <COMPOUND_NAME> (1,263)
WAY-308121

>  <BAR_CODE_NO> (1,263)
3912028

$$$$
WAY-308134
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.0345    0.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2103    0.0517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6586    1.1138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6586   -0.9862    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.8207    1.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8207   -1.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4966    0.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8724   -0.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0621    1.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0621   -1.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7138    0.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6724    0.0517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3345    1.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3345   -0.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8793    0.0517    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5517    1.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5517   -0.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0966    0.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8793    1.2552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8793   -1.1966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1793    0.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 15 19  2  0  0  0  0
 15 20  2  0  0  0  0
 16 21  1  0  0  0  0
  7  8  2  0  0  0  0
 10 12  1  0  0  0  0
 17 21  2  0  0  0  0
M  END
>  <Mol_ID> (1,264)
1264

>  <Formula> (1,264)
C14H17N3O2S2

>  <MolWeight> (1,264)
323.43368

>  <COMPOUND_NAME> (1,264)
WAY-308134

>  <BAR_CODE_NO> (1,264)
3912042

$$$$
WAY-308211
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -0.8724    0.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8103    0.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3724   -0.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3897    1.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9103   -0.4483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5345    1.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0103   -0.8207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5897   -0.2483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5897    1.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4586    0.8517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3345    2.0931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9103   -1.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0655    0.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0655    2.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7103   -2.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0345   -2.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0276    0.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0276    2.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6103   -3.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0655   -3.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5103    1.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6966    0.0034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7103   -3.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4759    1.3793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5621    0.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  9 13  2  0  0  0  0
  9 14  1  0  0  0  0
 12 15  2  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  2  0  0  0  0
 17 21  2  0  0  0  0
 17 22  1  0  0  0  0
 19 23  2  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
  5  7  1  0  0  0  0
 18 21  1  0  0  0  0
 20 23  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,265)
1265

>  <Formula> (1,265)
C18H12N2O5

>  <MolWeight> (1,265)
336.29828

>  <COMPOUND_NAME> (1,265)
WAY-308211

>  <BAR_CODE_NO> (1,265)
3912144

$$$$
WAY-308239
csChFnd80/06171916322D

 21 22  0  0  0  0  0  0  0  0999 V2000
    1.4276    0.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8655   -0.3276    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2655    1.2931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2862    0.0931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3862   -1.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3862    1.6207    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2448   -0.8069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1276   -1.9448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4724    1.9207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0655    0.7552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7069    2.4931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2276   -2.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1931    1.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6724   -2.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4448   -3.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0069   -1.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0345    1.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0345    0.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7345    1.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7138   -0.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5724    0.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  2  0  0  0  0
  6 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  2  0  0  0  0
 13 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
  5  7  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,266)
1266

>  <Formula> (1,266)
C14H19N3O2S2

>  <MolWeight> (1,266)
325.44956

>  <COMPOUND_NAME> (1,266)
WAY-308239

>  <BAR_CODE_NO> (1,266)
3912173

$$$$
WAY-308264
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.7414    0.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2207    0.0276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0690   -0.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9414    0.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1103   -0.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0897    0.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6310   -0.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4897    0.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6483   -0.2414    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0414   -0.9517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6310    0.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1103    0.9862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8310    0.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9517   -0.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6207    0.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0897   -0.5517    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3793   -0.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9000   -0.5724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2690    0.0586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3207   -0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2103    0.2793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
  9 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
  8 13  2  0  0  0  0
  9 11  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (1,267)
1267

>  <Formula> (1,267)
C14H14N4O2S

>  <MolWeight> (1,267)
302.35156

>  <COMPOUND_NAME> (1,267)
WAY-308264

>  <BAR_CODE_NO> (1,267)
3912199

$$$$
WAY-308280
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -2.1448   -0.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1448   -0.9621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4310    0.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9310    0.1276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4310   -1.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9310   -1.2241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7103   -0.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4172   -0.5483    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7103   -0.9621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0034    0.2793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7172   -0.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4310    0.2897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7172   -0.9483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1448   -0.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4172    1.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8552    0.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1379    1.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8552    1.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5690    1.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,268)
1268

>  <Formula> (1,268)
C13H16N4OS

>  <MolWeight> (1,268)
276.35734

>  <COMPOUND_NAME> (1,268)
WAY-308280

>  <BAR_CODE_NO> (1,268)
3912215

$$$$
WAY-308820
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -1.0034   -0.2931    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.0034    0.4552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3586   -0.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6552   -0.6690    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4207    1.0345    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3034    0.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3586   -1.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2828   -0.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3034   -0.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1586    1.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3586    0.4690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9552    1.6241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2931   -1.7931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9345   -0.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9586    1.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0586    2.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9414   -1.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2931   -2.5448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5414    2.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5172    3.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5931   -1.7931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3586   -2.9172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3207    2.8069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5931   -2.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  5 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 14  2  0  0  0  0
 10 15  2  0  0  0  0
 10 16  1  0  0  0  0
 13 17  2  0  0  0  0
 13 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  2  0  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
 19 23  2  0  0  0  0
 21 24  1  0  0  0  0
  6  9  1  0  0  0  0
 14 17  1  0  0  0  0
 20 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,269)
1269

>  <Formula> (1,269)
C17H19NO4S2

>  <MolWeight> (1,269)
365.46706

>  <COMPOUND_NAME> (1,269)
WAY-308820

>  <BAR_CODE_NO> (1,269)
3912814

$$$$
WAY-308841-A
csChFnd80/06171916322D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -0.7276   -0.4000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0724   -0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1276   -1.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1276    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7897    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8966   -1.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8966    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5241   -0.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7621    0.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2966   -0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2241    0.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4724    1.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2241    0.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
  7 10  2  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <Mol_ID> (1,270)
1270

>  <Formula> (1,270)
C11H20N2

>  <MolWeight> (1,270)
180.2899

>  <COMPOUND_NAME> (1,270)
WAY-308841-A

>  <BAR_CODE_NO> (1,270)
3912837

$$$$
WAY-308843
csChFnd80/06171916322D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -0.5690   -0.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2448   -0.2207    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9828    0.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9828   -0.9414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0724   -0.2276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2552    0.6069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2448   -1.0448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8069    0.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8034   -0.9448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4931    0.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2207   -0.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3103    0.4862    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.0552   -0.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7966    1.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7966   -0.1828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4655    0.4931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4655   -0.9448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  8 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
  9 11  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,271)
1271

>  <Formula> (1,271)
C12H15NO5S

>  <MolWeight> (1,271)
285.3162

>  <COMPOUND_NAME> (1,271)
WAY-308843

>  <BAR_CODE_NO> (1,271)
3912840

$$$$
WAY-308873
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -2.2243    0.4753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8657   -0.1454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3657    0.2753    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3243    1.3132    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6450   -0.9868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6864    0.0925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9243    1.0339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0036   -0.5454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5243    1.6925    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2864   -1.5868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3036   -0.5247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0450    1.0339    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1036   -1.3454    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3964    0.2753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2757    0.2753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7136   -0.4868    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7136    1.0339    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5964   -0.4868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0343    0.2753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0343   -1.2454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9136    0.2753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9136   -1.2454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3550   -0.4868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3550    1.0339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
 10 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
  7  9  2  0  0  0  0
 11 13  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,272)
1272

>  <Formula> (1,272)
C17H17N5OS

>  <MolWeight> (1,272)
339.41478

>  <COMPOUND_NAME> (1,272)
WAY-308873

>  <BAR_CODE_NO> (1,272)
3912880

$$$$
WAY-308879
csChFnd80/06171916322D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -1.4450    0.8793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4450    0.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0036    0.8759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1623    1.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7243   -0.3724    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1588   -0.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0036    0.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8726    0.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8726    0.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7067   -0.3655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5899   -0.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4205    0.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1377   -0.3586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4170    0.8759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8895   -0.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2274   -1.1793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4446   -0.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0343   -1.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
  5  7  1  0  0  0  0
  8  9  2  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (1,273)
1273

>  <Formula> (1,273)
C13H10N2O2S

>  <MolWeight> (1,273)
258.2957

>  <COMPOUND_NAME> (1,273)
WAY-308879

>  <BAR_CODE_NO> (1,273)
3912886

$$$$
WAY-308944
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    0.3771   -0.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0339    0.4053    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0339   -0.7887    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7479   -0.5847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7479    0.1983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4079   -0.9567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3031   -0.7467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1481   -0.1287    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3789   -0.5847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7189   -0.9567    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0619   -0.5847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6571   -0.0867    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6871   -1.3648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4089    0.1623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4079    0.5703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5321   -0.7467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0619    0.1983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2761    0.5703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0359   -0.9567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6331    1.2303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5321    0.5313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2491    1.8453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1481    1.1463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5021    1.8033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7 16  1  0  0  0  0
  8  1  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11  6  2  0  0  0  0
 12  7  1  0  0  0  0
 13  7  2  0  0  0  0
 14  9  2  0  0  0  0
 15  5  1  0  0  0  0
 16  8  1  0  0  0  0
 15 17  2  0  0  0  0
 18 12  1  0  0  0  0
 19  9  1  0  0  0  0
 20 18  1  0  0  0  0
 21 18  1  0  0  0  0
 22 20  1  0  0  0  0
 23 21  1  0  0  0  0
 24 22  1  0  0  0  0
  4  5  2  0  0  0  0
 11 17  1  0  0  0  0
 24 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,274)
1274

>  <Formula> (1,274)
C17H21N3O2S2

>  <MolWeight> (1,274)
363.49754

>  <COMPOUND_NAME> (1,274)
WAY-308944

>  <BAR_CODE_NO> (1,274)
3912966

$$$$
WAY-308945
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
    2.3000    0.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9793    1.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5793   -0.2345    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.2276    0.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0414    1.1621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5793    1.9345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8207    0.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8621    0.9138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5207    1.7966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0517   -0.1379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8138    0.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9862   -0.1379    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0379   -0.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5586    0.4552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1517   -1.0172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7862   -0.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1379   -1.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6724   -0.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9793   -1.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7586   -1.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6069   -1.6966    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 12 15  2  0  0  0  0
 13 16  2  0  0  0  0
 13 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 20 21  1  0  0  0  0
  5  7  2  0  0  0  0
  8  9  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,275)
1275

>  <Formula> (1,275)
C14H11ClN2O2S2

>  <MolWeight> (1,275)
338.83234

>  <COMPOUND_NAME> (1,275)
WAY-308945

>  <BAR_CODE_NO> (1,275)
3912967

$$$$
WAY-309036
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.5207   -0.8759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3207   -1.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4621    0.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3207   -1.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3207   -2.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1207   -0.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4379    0.2621    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.9207   -0.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5379   -2.1172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1207   -2.7172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9207   -1.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000    1.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9207   -2.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7379    1.2241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2379    1.8621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7207   -2.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    2.1621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7379    2.9034    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000    3.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
 10 13  2  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
  7  8  1  0  0  0  0
 11 13  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (1,276)
1276

>  <Formula> (1,276)
C15H15N3O2S

>  <MolWeight> (1,276)
301.3635

>  <COMPOUND_NAME> (1,276)
WAY-309036

>  <BAR_CODE_NO> (1,276)
3913073

$$$$
WAY-309048
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -2.7345    0.9379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0828    0.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3414    0.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7724    1.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4690    1.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0448   -0.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3069   -0.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9931    0.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4207    1.9966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8207    0.6724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6586   -0.5207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0345    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7828   -0.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2034    1.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1276   -0.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4517    0.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4828    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4966   -0.3690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2931    0.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9345   -0.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9000   -1.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5621    0.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5138   -1.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000   -0.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2069   -1.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9276   -2.1034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2517   -2.1586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  8 12  2  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
 23 26  1  0  0  0  0
 24 27  1  0  0  0  0
 24 28  2  0  0  0  0
  7 11  2  0  0  0  0
  9 12  1  0  0  0  0
 16 17  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <Mol_ID> (1,277)
1277

>  <Formula> (1,277)
C23H23N3O2

>  <MolWeight> (1,277)
373.44762

>  <COMPOUND_NAME> (1,277)
WAY-309048

>  <BAR_CODE_NO> (1,277)
3913090

$$$$
WAY-309060
csChFnd80/06171916322D

 19 20  0  0  0  0  0  0  0  0999 V2000
    0.9343    0.9383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4550    0.9383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1550    2.2418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1895   -0.3686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2239   -0.3272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3864    2.2418    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8929    3.5832    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9550   -1.7065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4550   -1.6686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7274   -0.2651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7140    1.3004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1998   -2.9720    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5274   -1.4996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7312   -0.2755    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2209    1.7832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4343   -4.2755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2209   -0.7099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1278    0.5211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7485    0.5211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  2  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  2  0  0  0  0
 18 19  1  0  0  0  0
  8  9  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,278)
1278

>  <Formula> (1,278)
C13H14N2O4

>  <MolWeight> (1,278)
262.26126

>  <COMPOUND_NAME> (1,278)
WAY-309060

>  <BAR_CODE_NO> (1,278)
3913103

$$$$
WAY-309065-A
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -0.2276    0.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9448    0.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2241    1.6586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4862    0.4172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9483   -0.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6621    0.8379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4966    2.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9310    2.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4862   -0.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2310   -0.8276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6621   -0.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3759    0.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5069    2.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9241    2.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1966   -0.8345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3759   -0.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2069    3.3069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1931   -1.6621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1966    4.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9103   -2.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4724   -2.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8966   -2.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4655   -2.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1828   -3.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6138   -3.3276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 11 16  1  0  0  0  0
 13 17  1  0  0  0  0
 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  2  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
  9 10  2  0  0  0  0
 12 16  2  0  0  0  0
 14 17  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (1,279)
1279

>  <Formula> (1,279)
C19H21N5O

>  <MolWeight> (1,279)
335.40294

>  <COMPOUND_NAME> (1,279)
WAY-309065-A

>  <BAR_CODE_NO> (1,279)
3913108

$$$$
WAY-309068
csChFnd80/06171916322D

 23 24  0  0  0  0  0  0  0  0999 V2000
   -1.9828    0.0138    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.4828   -1.2655    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.6103    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8207    1.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8310   -1.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8690   -2.4759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2483   -0.8655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1103    1.4655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1828    0.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0621   -2.7966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8828   -3.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6103   -0.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0241    1.9724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6897   -0.3552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1172    0.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4690   -1.7483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4793    0.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8379   -1.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3379   -0.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9793    2.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4897    3.3931    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.2690    1.6138    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.6966    2.6241    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  2  0  0  0  0
 12 15  2  0  0  0  0
 12 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 10 11  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,280)
1280

>  <Formula> (1,280)
C15H16F3NO4

>  <MolWeight> (1,280)
331.2870496

>  <COMPOUND_NAME> (1,280)
WAY-309068

>  <BAR_CODE_NO> (1,280)
3913111

$$$$
WAY-309083
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -1.4690    0.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6310    0.8966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4690   -0.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1793    1.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2172    0.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3690    1.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6931   -0.4966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1793   -0.6448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9172    0.5793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1793    1.8276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5690   -0.0345    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4448    1.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9172   -0.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1793   -1.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9828   -0.7448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9793    1.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6414   -0.6448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8069   -0.7448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2207   -0.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2207   -1.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0414   -0.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0448   -1.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4586   -0.7448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2828   -0.7448    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  2  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
  5  7  2  0  0  0  0
  9 13  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,281)
1281

>  <Formula> (1,281)
C16H15FN4O2S

>  <MolWeight> (1,281)
346.3793032

>  <COMPOUND_NAME> (1,281)
WAY-309083

>  <BAR_CODE_NO> (1,281)
3913129

$$$$
WAY-309094
csChFnd80/06171916322D

 19 20  0  0  0  0  0  0  0  0999 V2000
    1.1310   -0.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7931   -0.0724    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3724   -0.2207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1310   -1.5414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4310    0.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5724    0.6483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3724   -1.9931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8517    1.5207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3897   -1.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3724   -2.8586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3931    2.2690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3897   -0.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8103    3.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1483   -0.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9069   -0.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1483    0.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6690   -0.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9069    1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6690    0.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
  5  6  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,282)
1282

>  <Formula> (1,282)
C13H15N3O2S

>  <MolWeight> (1,282)
277.3421

>  <COMPOUND_NAME> (1,282)
WAY-309094

>  <BAR_CODE_NO> (1,282)
3913142

$$$$
WAY-309125
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.9793   -1.6133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7207   -1.1857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3483   -1.0133    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9724   -2.4616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5483   -0.3340    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4483   -1.6133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7103   -0.2616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4897   -1.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6966   -2.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4483   -2.4719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2793    0.4867    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8034   -1.9202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5690    0.5005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9897    1.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5414    1.9867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414    1.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9793    2.7384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3103    1.9867    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2793    1.9867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414    2.7384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1276    1.9867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  2  0  0  0  0
 17 20  2  0  0  0  0
 19 21  1  0  0  0  0
  5  7  2  0  0  0  0
  9 10  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,283)
1283

>  <Formula> (1,283)
C17H19N3O

>  <MolWeight> (1,283)
281.35226

>  <COMPOUND_NAME> (1,283)
WAY-309125

>  <BAR_CODE_NO> (1,283)
3913181

$$$$
WAY-309133-A
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -2.1793    0.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1759   -0.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7379    0.3552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9000    0.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4552   -0.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9000   -0.8966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7379   -0.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0241    0.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6138    0.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4517   -1.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6138   -0.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0138   -0.8966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6862    0.3655    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.1621   -2.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    0.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   -0.4586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1655   -2.9621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1207    0.3862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8241    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5483    0.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8207    1.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2586    0.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5241    2.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2483    1.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
 10 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
  5  7  1  0  0  0  0
  9 11  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,284)
1284

>  <Formula> (1,284)
C19H23N3O2

>  <MolWeight> (1,284)
325.40482

>  <COMPOUND_NAME> (1,284)
WAY-309133-A

>  <BAR_CODE_NO> (1,284)
3943190

$$$$
WAY-309144
csChFnd80/06171916322D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -0.0069    0.3034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3517   -0.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5069    0.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1103    0.8448    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0517   -0.5966    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.8931   -0.0966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4690   -0.4552    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.9690    0.4034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6310    1.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2966    1.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1931   -1.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8483   -0.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7310    1.5655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0517    0.6655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1897   -1.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7276   -1.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  7 12  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  2  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
  5  7  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,285)
1285

>  <Formula> (1,285)
C11H15NO4

>  <MolWeight> (1,285)
225.2411

>  <COMPOUND_NAME> (1,285)
WAY-309144

>  <BAR_CODE_NO> (1,285)
3913203

$$$$
WAY-309177-A
csChFnd80/06171916322D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -2.5322    0.1194    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1822    0.1194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3761    0.1986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1428    0.1194    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8614   -0.2681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8178   -0.2681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0678   -0.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5114   -0.2681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7428    0.1986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0678    1.3694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2072   -0.2681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3761    0.9819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1428    0.8986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7428    0.9819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8614   -1.0639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4178   -0.1639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2072   -1.0514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5322   -1.4431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  8  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  3  1  0  0  0  0
  8  2  1  0  0  0  0
  9  7  2  0  0  0  0
 10 12  1  0  0  0  0
 11  1  2  0  0  0  0
 12  3  2  0  0  0  0
 13  4  1  0  0  0  0
 14 10  2  0  0  0  0
 15  5  2  0  0  0  0
 16  9  1  0  0  0  0
 17 11  1  0  0  0  0
 18 17  2  0  0  0  0
 15 18  1  0  0  0  0
  9 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,286)
1286

>  <Formula> (1,286)
C16H20N2

>  <MolWeight> (1,286)
240.3434

>  <COMPOUND_NAME> (1,286)
WAY-309177-A

>  <BAR_CODE_NO> (1,286)
3913241

$$$$
WAY-309205
csChFnd80/06171916322D

 33 37  0  0  0  0  0  0  0  0999 V2000
   -0.0931   -0.1862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5586    0.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0931   -0.9034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7655    0.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2172   -0.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5586    0.9586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7655   -1.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4172   -0.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7655    0.9586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8655    0.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2172   -0.9241    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.2172    1.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4172   -0.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7655   -2.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0655    0.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8655    0.9345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8586   -1.2724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5655   -1.2862    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.2172    2.0759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0655   -1.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4172   -2.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0931   -2.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7172   -0.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8586    2.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5655    2.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7172   -0.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4172   -3.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0931   -3.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8586    3.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5655    3.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7655   -3.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2172    3.5862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2276    4.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  2  0  0  0  0
 10 16  1  0  0  0  0
 11 17  2  0  0  0  0
 11 18  1  0  0  0  0
 12 19  1  0  0  0  0
 13 20  2  0  0  0  0
 14 21  2  0  0  0  0
 14 22  1  0  0  0  0
 15 23  1  0  0  0  0
 19 24  1  0  0  0  0
 19 25  1  0  0  0  0
 20 26  1  0  0  0  0
 21 27  1  0  0  0  0
 22 28  2  0  0  0  0
 24 29  1  0  0  0  0
 25 30  1  0  0  0  0
 27 31  2  0  0  0  0
 29 32  1  0  0  0  0
 32 33  1  0  0  0  0
  8 13  1  0  0  0  0
 12 16  2  0  0  0  0
 23 26  2  0  0  0  0
 28 31  1  0  0  0  0
 30 32  1  0  0  0  0
M  END
>  <Mol_ID> (1,287)
1287

>  <Formula> (1,287)
C25H23N5O3

>  <MolWeight> (1,287)
441.48182

>  <COMPOUND_NAME> (1,287)
WAY-309205

>  <BAR_CODE_NO> (1,287)
3913277

$$$$
WAY-309229-A
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -0.7172   -0.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0069   -0.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7138   -1.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1517   -0.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0103    0.6517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7103   -0.5897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4310   -1.8276    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0034   -1.8276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1483   -1.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7414   -0.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7069    1.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7103   -1.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8517   -1.8379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7069    1.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4138    0.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4172    2.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1276    1.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1345    1.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8483    2.2793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  9 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  2  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
  7  9  1  0  0  0  0
  8 12  2  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (1,288)
1288

>  <Formula> (1,288)
C14H13N3OS

>  <MolWeight> (1,288)
271.33752

>  <COMPOUND_NAME> (1,288)
WAY-309229-A

>  <BAR_CODE_NO> (1,288)
3913308

$$$$
WAY-309236-A
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -1.4138    0.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7000    0.9966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4207   -0.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1310    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0172    0.5793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6931    1.8207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7034   -0.6621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1310   -0.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8483    0.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0172   -0.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1483    2.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8483   -0.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7310   -0.6690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6483    2.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7276   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1483    3.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5207    1.6345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4414   -1.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0069   -1.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0483    3.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4483    2.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4345   -2.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0034   -2.7276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7138   -3.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1483   -3.1552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 15 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  2  0  0  0  0
 19 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
  7 10  2  0  0  0  0
  9 12  2  0  0  0  0
 20 21  2  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (1,289)
1289

>  <Formula> (1,289)
C19H16N4O2

>  <MolWeight> (1,289)
332.35594

>  <COMPOUND_NAME> (1,289)
WAY-309236-A

>  <BAR_CODE_NO> (1,289)
3913316

$$$$
WAY-309237
csChFnd80/06171916322D

 29 33  0  0  0  0  0  0  0  0999 V2000
   -1.1966   -0.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8379   -0.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5586   -0.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1966   -1.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8379    0.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4759   -0.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0793   -0.7310    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.5586    0.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8379   -1.8552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1966    0.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5379    0.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0207   -0.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4759   -1.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7241   -0.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0793   -1.4759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7241    0.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3621   -0.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7241   -1.8552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3621    0.7241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0793    0.7448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3621   -1.4759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0241   -0.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7241   -2.5931    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6414    1.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1793    2.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3724    1.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4414    2.7828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6724    2.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2034    2.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 16 20  2  0  0  0  0
 17 21  1  0  0  0  0
 17 22  1  0  0  0  0
 18 23  2  0  0  0  0
 19 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  2  0  0  0  0
 27 29  2  0  0  0  0
  8 10  1  0  0  0  0
  9 13  2  0  0  0  0
 11 12  1  0  0  0  0
 18 21  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (1,290)
1290

>  <Formula> (1,290)
C24H21N3OS

>  <MolWeight> (1,290)
399.50804

>  <COMPOUND_NAME> (1,290)
WAY-309237

>  <BAR_CODE_NO> (1,290)
3913317

$$$$
WAY-309240-A
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
   10.9292  -11.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9292  -11.1292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2167  -10.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2167  -12.3667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6417  -12.3667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5042  -11.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5042  -11.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2042   -9.8917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0667  -13.1917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6417  -13.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3542  -11.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0667  -12.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3500  -13.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9250   -9.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7917  -10.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9250   -8.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7792  -13.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4917  -14.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7917  -12.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7792  -14.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6375   -8.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2042   -8.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0792  -11.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0792  -11.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6375   -7.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2042   -7.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9250   -7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  2  0  0  0  0
  5  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  4  1  0  0  0  0
  8  3  1  0  0  0  0
  9 12  1  0  0  0  0
 10  5  1  0  0  0  0
 11  5  1  0  0  0  0
 12 11  1  0  0  0  0
 13 10  1  0  0  0  0
 14  8  1  0  0  0  0
 15  6  2  0  0  0  0
 16 14  1  0  0  0  0
 17  9  1  0  0  0  0
 18 20  1  0  0  0  0
 19  7  2  0  0  0  0
 20 17  1  0  0  0  0
 21 16  2  0  0  0  0
 22 16  1  0  0  0  0
 23 24  2  0  0  0  0
 24 19  1  0  0  0  0
 25 21  1  0  0  0  0
 26 22  2  0  0  0  0
 27 26  1  0  0  0  0
  9 13  1  0  0  0  0
  3  6  1  0  0  0  0
 23 15  1  0  0  0  0
 27 25  2  0  0  0  0
M  END
>  <Mol_ID> (1,291)
1291

>  <Formula> (1,291)
C21H25N5O

>  <MolWeight> (1,291)
363.4561

>  <COMPOUND_NAME> (1,291)
WAY-309240-A

>  <BAR_CODE_NO> (1,291)
3913323

$$$$
WAY-309263
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -0.9034    0.4897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9034   -0.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2241    0.8897    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.6655    0.7310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2241   -0.6897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6655   -0.5483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4552    0.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2241    1.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1241    0.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4552   -0.3103    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.2241    2.4724    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.5552    1.6724    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0241    1.6724    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9034    0.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1345   -0.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3034    0.7897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3034   -0.5690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8138   -0.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1345   -1.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4966   -0.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8138   -1.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4966   -1.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1655   -0.2793    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.1759   -1.8690    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
 22 24  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,292)
1292

>  <Formula> (1,292)
C14H11Cl2F3N4O

>  <MolWeight> (1,292)
379.1645496

>  <COMPOUND_NAME> (1,292)
WAY-309263

>  <BAR_CODE_NO> (1,292)
3913354

$$$$
WAY-309278
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -1.9991   -0.3366    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6574    0.1426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3991    0.9051    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3366    0.1259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5824    0.9051    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4199   -0.0866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1824    0.0926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9491   -0.6574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5574   -0.1366    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8009    0.1634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4009    0.7051    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9801   -0.6116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9991   -1.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0426    0.4051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1801    0.4634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7176   -0.0116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3634   -0.3116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7634    1.0259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5176    0.7884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1426   -0.5574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4801   -0.2616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3074   -1.5949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  2  1  0  0  0  0
  7  6  1  0  0  0  0
  8  6  1  0  0  0  0
  9  4  1  0  0  0  0
 10 14  1  0  0  0  0
 11 10  1  0  0  0  0
 12 10  2  0  0  0  0
 13  1  1  0  0  0  0
 14  9  1  0  0  0  0
 15 11  1  0  0  0  0
 16 19  1  0  0  0  0
 17 15  2  0  0  0  0
 18 15  1  0  0  0  0
 19 18  2  0  0  0  0
 20 17  1  0  0  0  0
 21 16  1  0  0  0  0
 22 13  1  0  0  0  0
  5  3  1  0  0  0  0
  8  7  1  0  0  0  0
 20 16  2  0  0  0  0
M  END
>  <Mol_ID> (1,293)
1293

>  <Formula> (1,293)
C16H20N4OS

>  <MolWeight> (1,293)
316.4212

>  <COMPOUND_NAME> (1,293)
WAY-309278

>  <BAR_CODE_NO> (1,293)
3913371

$$$$
WAY-309280
csChFnd80/06171916322D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -0.0652   -0.2340    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4118    0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5752    0.1140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3922    0.7050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2048    0.7050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1392   -0.0810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9908    0.0030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1622    0.0990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3898    0.4380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5952    0.3090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2472   -0.6570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1708   -0.5730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2672   -0.4770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1858    1.0020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9898    0.3090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8112   -0.8670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7498   -0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1608   -0.2520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
 10  8  2  0  0  0  0
  9  7  2  0  0  0  0
 10  6  1  0  0  0  0
 11  6  2  0  0  0  0
 12  7  1  0  0  0  0
 13 16  2  0  0  0  0
 14  9  1  0  0  0  0
 15  9  1  0  0  0  0
 16 11  1  0  0  0  0
 12 17  2  0  0  0  0
 18 17  1  0  0  0  0
  4  5  1  0  0  0  0
  8 13  1  0  0  0  0
 18 15  2  0  0  0  0
M  END
>  <Mol_ID> (1,294)
1294

>  <Formula> (1,294)
C14H11N3O

>  <MolWeight> (1,294)
237.25664

>  <COMPOUND_NAME> (1,294)
WAY-309280

>  <BAR_CODE_NO> (1,294)
3913375

$$$$
WAY-309322
csChFnd80/06171916322D

 29 31  0  0  0  0  0  0  0  0999 V2000
    1.2292   -3.4292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0542   -3.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792   -2.7625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7750   -2.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0625   -2.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9875   -6.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792   -4.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4667   -4.2292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.1667   -6.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7000   -4.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5250   -4.9292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7500   -5.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9375   -5.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2917   -5.6417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4000   -7.0250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.3792   -5.6042    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.7792   -7.1125    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1250   -3.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9375   -4.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2917   -4.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208   -5.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6750   -4.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3917   -5.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042   -2.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708   -5.8750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7667   -7.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9375   -7.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5292   -6.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7125   -6.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6  9  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9 12  2  0  0  0  0
 10 20  1  0  0  0  0
 11 10  1  0  0  0  0
 12 13  1  0  0  0  0
 13 11  1  0  0  0  0
 14 10  2  0  0  0  0
 15  6  1  0  0  0  0
 16  6  1  0  0  0  0
 17  6  1  0  0  0  0
 18  7  2  0  0  0  0
 19  7  1  0  0  0  0
 20  8  1  0  0  0  0
 21 23  1  0  0  0  0
 22 18  1  0  0  0  0
 23 19  2  0  0  0  0
 24  5  1  0  0  0  0
 25 21  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 13  2  0  0  0  0
 29 25  1  0  0  0  0
  4  3  1  0  0  0  0
 21 22  2  0  0  0  0
  9 26  1  0  0  0  0
M  END
>  <Mol_ID> (1,295)
1295

>  <Formula> (1,295)
C19H17F3N4O2S

>  <MolWeight> (1,295)
422.4240896

>  <COMPOUND_NAME> (1,295)
WAY-309322

>  <BAR_CODE_NO> (1,295)
3913423

$$$$
WAY-309325
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    1.4034    0.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1517    0.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0241    0.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0276   -0.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5310   -0.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5276    0.8069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2724    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2793   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2793   -0.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1586   -1.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0931    0.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6586   -1.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5310   -1.7897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8414    0.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2862   -1.7897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4966   -0.2207    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1483    0.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1517    0.9103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8000   -0.2172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8000    1.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4483    0.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4483    0.9103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8069    2.0379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1000   -0.2172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  7 11  1  0  0  0  0
  9 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
  8 11  2  0  0  0  0
 13 15  2  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,296)
1296

>  <Formula> (1,296)
C18H15N3O2S

>  <MolWeight> (1,296)
337.3956

>  <COMPOUND_NAME> (1,296)
WAY-309325

>  <BAR_CODE_NO> (1,296)
3913426

$$$$
WAY-309383
csChFnd80/06171916322D

 15 16  0  0  0  0  0  0  0  0999 V2000
    0.2762    0.4410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7952    0.1440    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7982   -0.4590    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792   -0.7590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2398    0.1410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2398   -0.4590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2702    1.0380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792   -1.3590    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2488    1.3380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7892    1.3410    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3202   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7618    0.4410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7618   -0.7650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2778   -0.4650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2778    0.1320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  6  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7  1  1  0  0  0  0
  8  4  2  0  0  0  0
  9  7  2  0  0  0  0
 10  7  1  0  0  0  0
 11  3  1  0  0  0  0
  5 12  2  0  0  0  0
 13  6  2  0  0  0  0
 15 14  2  0  0  0  0
 15 12  1  0  0  0  0
  3  4  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,297)
1297

>  <Formula> (1,297)
C10H8N2O3

>  <MolWeight> (1,297)
204.18212

>  <COMPOUND_NAME> (1,297)
WAY-309383

>  <BAR_CODE_NO> (1,297)
3913487

$$$$
WAY-309395
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    0.7036   -1.0795    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7036   -0.2554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0381   -1.5657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4864   -1.3381    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4864   -0.0036    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0312    0.2343    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7205   -1.2312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1243   -2.3795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9657   -0.6657    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7239   -0.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3826   -1.7140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5377   -2.8657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3964    0.3860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2964   -2.5381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2998    1.2136    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1446    0.0584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5481    1.5446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4619    2.3688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1174    1.0584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2933    2.7067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8761    1.3964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9623    2.2205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7243    2.5481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
  5  9  1  0  0  0  0
 12 14  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,298)
1298

>  <Formula> (1,298)
C16H15N5OS

>  <MolWeight> (1,298)
325.3882

>  <COMPOUND_NAME> (1,298)
WAY-309395

>  <BAR_CODE_NO> (1,298)
3913500

$$$$
WAY-309445
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    1.3345   -0.8379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0207   -0.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1897   -1.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6069   -1.3897    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1414   -0.0172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5345    0.7103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4069   -1.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1103   -0.8552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3586    0.6828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2690   -2.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8069   -2.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9448   -1.1069    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2414    0.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5414   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0586   -3.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7586    1.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9345   -3.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4103    2.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6586    1.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9448    2.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1793    1.9483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8414    2.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3655    3.4690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0310    4.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  2  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
  5  8  1  0  0  0  0
 15 17  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,299)
1299

>  <Formula> (1,299)
C18H16N2O2S2

>  <MolWeight> (1,299)
356.46184

>  <COMPOUND_NAME> (1,299)
WAY-309445

>  <BAR_CODE_NO> (1,299)
3913557

$$$$
WAY-309457
csChFnd80/06171916322D

 22 23  0  0  0  0  0  0  0  0999 V2000
    1.4988    0.0812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6746    0.0812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9091   -0.9499    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8850    1.1122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2643    1.1122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2702   -0.9499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4988    2.1432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6746    2.1432    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2470    1.8881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2022    0.2053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8840    0.0812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8599   -1.9843    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6953    3.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4160    2.6605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0599    0.0708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2944    1.1122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6771   -0.9843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8564   -0.9843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0875   -2.0154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4426   -2.0154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6771   -3.0464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8564   -3.0464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
  7  8  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,300)
1300

>  <Formula> (1,300)
C17H25N3O2

>  <MolWeight> (1,300)
303.3993

>  <COMPOUND_NAME> (1,300)
WAY-309457

>  <BAR_CODE_NO> (1,300)
3913571

$$$$
WAY-309469
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
    4.6515   -3.0075    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1865    0.8020    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.3090   -1.2965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8205    0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4595   -1.9385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8730    2.6330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1990    1.4300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2440    2.7270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0660   -5.3870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4495    1.8310    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.6750   -1.6175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3645    5.1330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000    3.6890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4245    3.5290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2790   -0.5350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7170    5.7210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2080   -6.9105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4675   -9.9985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9225    1.8710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3125  -11.5625    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.2540   -2.8470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9625   -6.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6225   -9.3035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7645  -10.8405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8685   -7.6590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2695    0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6040   -1.3770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  1  1  0  0  0  0
 10  8  1  0  0  0  0
 11  3  2  0  0  0  0
 12  8  2  0  0  0  0
 13 10  1  0  0  0  0
 14  2  1  0  0  0  0
 15  7  2  0  0  0  0
 16 12  1  0  0  0  0
 17  9  1  0  0  0  0
 18 24  2  0  0  0  0
 19  4  1  0  0  0  0
 20 18  1  0  0  0  0
 21  5  1  0  0  0  0
 22 17  1  0  0  0  0
 23 17  2  0  0  0  0
 24 23  1  0  0  0  0
 25 22  2  0  0  0  0
 26 27  1  0  0  0  0
 27 21  2  0  0  0  0
  2  4  1  0  0  0  0
 25 18  1  0  0  0  0
 19 26  2  0  0  0  0
 13 16  2  0  0  0  0
M  END
>  <Mol_ID> (1,301)
1301

>  <Formula> (1,301)
C21H16ClNO3S

>  <MolWeight> (1,301)
397.87464

>  <COMPOUND_NAME> (1,301)
WAY-309469

>  <BAR_CODE_NO> (1,301)
3913584

$$$$
WAY-309491
csChFnd80/06171916322D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -0.8276   -0.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6483    0.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4069   -0.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2793   -0.3241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0069    0.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0862    1.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4966   -0.8655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9276    0.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2034    0.0655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2931    1.2345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7276    0.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8862    1.6966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0793   -1.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5069   -0.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8207   -0.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5966   -0.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3034    0.3345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0621   -0.6552    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414   -0.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6931   -0.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4414    0.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1517   -1.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9138   -0.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7621   -0.8828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 13 16  1  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
  5  9  1  0  0  0  0
 14 16  2  0  0  0  0
 19 20  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,302)
1302

>  <Formula> (1,302)
C18H13N3O2S

>  <MolWeight> (1,302)
335.37972

>  <COMPOUND_NAME> (1,302)
WAY-309491

>  <BAR_CODE_NO> (1,302)
3913610

$$$$
WAY-309504
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    2.8703   -1.3658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8703   -2.3968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9807   -0.8555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8393   -1.0451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9807   -2.9141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8393   -2.7141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0703   -1.3796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4427   -1.8934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0703   -2.3968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1841   -0.8761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1841    0.1652    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6849    0.6928    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5849    1.2101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1745    1.5790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2090   -0.1865    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4745    0.6997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5849    2.2514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3642    1.2101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4745   -0.3210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4745    2.7687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6952    2.7687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3642    2.2514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2469    2.7480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 12 15  2  0  0  0  0
 13 16  2  0  0  0  0
 13 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  2  0  0  0  0
 17 21  1  0  0  0  0
 18 22  2  0  0  0  0
 22 23  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,303)
1303

>  <Formula> (1,303)
C17H19NO4S

>  <MolWeight> (1,303)
333.40206

>  <COMPOUND_NAME> (1,303)
WAY-309504

>  <BAR_CODE_NO> (1,303)
3913624

$$$$
WAY-309507
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.3309   -1.2530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7179   -0.6260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4161   -1.2530    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7761    0.6790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4161    0.0520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5261    0.6790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7761   -0.6080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4409   -0.6260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7179   -1.8980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4161    1.3240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8921    1.3240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8921    0.0520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8309   -1.2710    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5261   -0.6080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3309    0.0190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7761    1.9690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5261    1.9690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8309    0.0190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5809   -1.2710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7179    0.6640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4409    0.6640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  7  5  2  0  0  0  0
  6 12  1  0  0  0  0
  7  3  1  0  0  0  0
  8  2  1  0  0  0  0
  9  1  2  0  0  0  0
 10  4  1  0  0  0  0
 11  6  1  0  0  0  0
 12 14  2  0  0  0  0
 13  8  1  0  0  0  0
 14  7  1  0  0  0  0
 15  2  2  0  0  0  0
 16 10  1  0  0  0  0
 17 11  1  0  0  0  0
  8 18  2  0  0  0  0
 19 13  1  0  0  0  0
 20 15  1  0  0  0  0
 21 20  2  0  0  0  0
 21 18  1  0  0  0  0
  4  6  2  0  0  0  0
 17 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,304)
1304

>  <Formula> (1,304)
C16H15NO3S

>  <MolWeight> (1,304)
301.3602

>  <COMPOUND_NAME> (1,304)
WAY-309507

>  <BAR_CODE_NO> (1,304)
3913627

$$$$
WAY-309534
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -0.7133    0.4967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5029    0.0518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0833    0.0518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7133    1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5029   -0.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2822    0.4967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0833   -0.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8833    0.4967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3857    2.0346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0660    1.8691    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7133   -1.3033    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2822   -1.3033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0719    0.0518    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8557   -1.3171    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6695    0.9587    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0271    2.8415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1340    2.7587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0719   -0.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8822    0.4967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6695   -0.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4523   -1.3171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2385   -0.8930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4523   -2.2206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0212   -1.3447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8074   -0.8930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  3  0  0  0  0
  9 16  1  0  0  0  0
 10 17  1  0  0  0  0
 12 18  1  0  0  0  0
 13 19  1  0  0  0  0
 14 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
  7 11  1  0  0  0  0
 13 18  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (1,305)
1305

>  <Formula> (1,305)
C18H19N3O2S2

>  <MolWeight> (1,305)
373.49236

>  <COMPOUND_NAME> (1,305)
WAY-309534

>  <BAR_CODE_NO> (1,305)
3913658

$$$$
WAY-309561
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -0.3586   -0.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2897    0.3448    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.0207    0.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3586   -0.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9414   -0.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2897    1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6724   -0.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0207    1.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0207   -1.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5897    0.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9414   -0.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3586    1.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9414    1.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6724   -0.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3207    0.3448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2414   -0.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5897   -1.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3586    2.2241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5897    1.8483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3207   -1.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9724   -0.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2414   -0.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9724   -0.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8897   -1.1552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8897   -1.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
 10 16  1  0  0  0  0
 11 17  2  0  0  0  0
 12 18  1  0  0  0  0
 13 19  3  0  0  0  0
 14 20  1  0  0  0  0
 15 21  2  0  0  0  0
 16 22  2  0  0  0  0
 20 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
  8 12  1  0  0  0  0
  9 14  2  0  0  0  0
 17 22  1  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,306)
1306

>  <Formula> (1,306)
C20H15N3O2

>  <MolWeight> (1,306)
329.352

>  <COMPOUND_NAME> (1,306)
WAY-309561

>  <BAR_CODE_NO> (1,306)
3913696

$$$$
WAY-309562
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -1.1500    0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8625    1.3833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1625    1.8833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7708    0.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708    0.3333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0625    1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458    1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542    0.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3375    1.0208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708    0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167    1.4833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167    0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0125    0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542   -0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6000    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0958    0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7000    1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0500    2.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9958    0.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7000    0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  2  0  0  0  0
  7  6  1  0  0  0  0
  8 11  1  0  0  0  0
  9  8  2  0  0  0  0
 10  5  1  0  0  0  0
 11 13  1  0  0  0  0
 12  8  1  0  0  0  0
 13 16  2  0  0  0  0
 14 10  1  0  0  0  0
 15 10  2  0  0  0  0
 16 15  1  0  0  0  0
 17 14  2  0  0  0  0
 18  4  1  0  0  0  0
 19  6  1  0  0  0  0
 20  7  1  0  0  0  0
 21 22  1  0  0  0  0
 22 18  2  0  0  0  0
  3  7  2  0  0  0  0
 17 13  1  0  0  0  0
 19 21  2  0  0  0  0
M  END
>  <Mol_ID> (1,307)
1307

>  <Formula> (1,307)
C17H16N4O

>  <MolWeight> (1,307)
292.33514

>  <COMPOUND_NAME> (1,307)
WAY-309562

>  <BAR_CODE_NO> (1,307)
3913697

$$$$
WAY-309574
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
    0.8241   -0.3517    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.3828   -1.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9655    1.0414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0828   -0.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5931   -0.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3828   -2.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3586    1.3207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0552    1.9724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0552    0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8000   -1.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5931   -3.1379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8241   -3.1379    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.4517    1.9724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9207    2.8517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4483   -0.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8000   -2.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0069   -0.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1483    3.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1448   -1.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3310    1.0414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0069   -3.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1207   -1.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4517    4.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5379   -0.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6345    0.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1207   -2.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0069   -4.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1483    5.5966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0552    4.3862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  6 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  2  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 10 17  2  0  0  0  0
 13 18  1  0  0  0  0
 15 19  2  0  0  0  0
 15 20  1  0  0  0  0
 16 21  2  0  0  0  0
 17 22  1  0  0  0  0
 18 23  1  0  0  0  0
 19 24  1  0  0  0  0
 20 25  1  0  0  0  0
 21 26  1  0  0  0  0
 21 27  1  0  0  0  0
 23 28  1  0  0  0  0
 23 29  2  0  0  0  0
  7  9  2  0  0  0  0
 11 16  1  0  0  0  0
 22 26  2  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (1,308)
1308

>  <Formula> (1,308)
C21H18ClN3O4

>  <MolWeight> (1,308)
411.83832

>  <COMPOUND_NAME> (1,308)
WAY-309574

>  <BAR_CODE_NO> (1,308)
3913709

$$$$
WAY-309580
csChFnd80/06171916322D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -0.4966   -0.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4966    0.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2172   -0.9621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2172   -0.9621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2172    0.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9310   -0.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9310   -0.5517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2172   -1.7897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9310    0.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6517   -0.9621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6448    0.6862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3655   -0.5483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6448    1.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4448    0.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1172   -0.8759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3552    1.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9310    1.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2517    0.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6690   -0.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
  6  9  2  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (1,309)
1309

>  <Formula> (1,309)
C15H17NO3

>  <MolWeight> (1,309)
259.30038

>  <COMPOUND_NAME> (1,309)
WAY-309580

>  <BAR_CODE_NO> (1,309)
3913717

$$$$
WAY-309605
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.8724    0.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8724   -0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1724    0.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000    0.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1621   -1.1138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000   -1.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5517    0.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1724    1.3690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3103    0.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5517   -0.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3103   -0.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2655    0.5483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0241    0.5310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2759   -1.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9759    0.1448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0241    1.3586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9897   -0.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7000    0.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7414    1.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7000   -1.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4276    0.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4276   -0.6759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 20 22  1  0  0  0  0
  7 10  1  0  0  0  0
  9 11  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,310)
1310

>  <Formula> (1,310)
C17H22N2O3

>  <MolWeight> (1,310)
302.36818

>  <COMPOUND_NAME> (1,310)
WAY-309605

>  <BAR_CODE_NO> (1,310)
3913743

$$$$
WAY-309608
csChFnd80/06171916322D

 29 31  0  0  0  0  0  0  0  0999 V2000
   -0.3276   -0.0379    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.3138   -0.4241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9828   -0.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3207    0.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3034   -1.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0310   -0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9897   -1.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6310   -0.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3345    1.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9655    1.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0138   -1.4138    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3448   -1.5448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4621   -0.8103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2690    0.5103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6448   -1.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2828   -0.3966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6241    0.7172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3414    1.8276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9586    1.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2138   -0.8172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9276   -0.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3034    2.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5828   -1.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5828   -0.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2966    2.9552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3345   -1.4828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2000   -2.1172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9414    3.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7172   -0.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
  6 13  1  0  0  0  0
  6 14  2  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  2  0  0  0  0
  9 18  1  0  0  0  0
 10 19  2  0  0  0  0
 13 20  2  0  0  0  0
 16 21  1  0  0  0  0
 18 22  2  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
 23 26  1  0  0  0  0
 23 27  2  0  0  0  0
 25 28  1  0  0  0  0
 26 29  1  0  0  0  0
  7 12  1  0  0  0  0
 11 13  1  0  0  0  0
 19 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,311)
1311

>  <Formula> (1,311)
C20H20N2O6S

>  <MolWeight> (1,311)
416.4476

>  <COMPOUND_NAME> (1,311)
WAY-309608

>  <BAR_CODE_NO> (1,311)
3913747

$$$$
WAY-309609
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -0.5621   -0.4069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5621    0.3552    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0897   -0.7793    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2207   -0.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2207    0.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0862    0.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7414   -1.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2828   -1.4276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4552   -0.1310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8759   -0.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8724    0.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0862    1.4828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7379    0.3483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3897   -0.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7414   -1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5241   -0.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5241    0.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7379    1.8552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0414   -1.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000   -2.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1724   -0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1724    0.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5379    1.6241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7172    2.6828    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0483   -1.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9897    2.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4897    2.9483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7034   -2.2655    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  3  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  2  0  0  0  0
  7 14  2  0  0  0  0
  7 15  1  0  0  0  0
 10 16  2  0  0  0  0
 11 17  2  0  0  0  0
 12 18  1  0  0  0  0
 14 19  1  0  0  0  0
 15 20  2  0  0  0  0
 16 21  1  0  0  0  0
 17 22  1  0  0  0  0
 18 23  2  0  0  0  0
 18 24  1  0  0  0  0
 19 25  2  0  0  0  0
 23 26  1  0  0  0  0
 24 27  1  0  0  0  0
 25 28  1  0  0  0  0
 10 11  1  0  0  0  0
 20 25  1  0  0  0  0
 21 22  2  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <Mol_ID> (1,312)
1312

>  <Formula> (1,312)
C19H16FN3O3S2

>  <MolWeight> (1,312)
417.4770432

>  <COMPOUND_NAME> (1,312)
WAY-309609

>  <BAR_CODE_NO> (1,312)
3913748

$$$$
WAY-309610
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -0.6862   -0.3414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6862    0.4207    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.0241   -0.7172    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3345   -0.7172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3345    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0276    0.7966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6276   -1.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4000   -1.3621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3379   -0.0655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9897   -0.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9862    0.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0276    1.5448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6207    0.4138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2759   -0.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6276   -1.8379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6414   -0.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6414    0.7966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6207    1.9207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9276   -1.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2862   -2.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2862   -0.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2862    0.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4207    1.6897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6000    2.7448    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9345   -1.8276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8759    2.3586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3759    3.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5862   -2.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2345   -1.8172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  3  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  2  0  0  0  0
  7 14  2  0  0  0  0
  7 15  1  0  0  0  0
 10 16  2  0  0  0  0
 11 17  2  0  0  0  0
 12 18  1  0  0  0  0
 14 19  1  0  0  0  0
 15 20  2  0  0  0  0
 16 21  1  0  0  0  0
 17 22  1  0  0  0  0
 18 23  2  0  0  0  0
 18 24  1  0  0  0  0
 19 25  2  0  0  0  0
 23 26  1  0  0  0  0
 24 27  1  0  0  0  0
 25 28  1  0  0  0  0
 28 29  1  0  0  0  0
 10 11  1  0  0  0  0
 20 25  1  0  0  0  0
 21 22  2  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <Mol_ID> (1,313)
1313

>  <Formula> (1,313)
C20H19N3O4S2

>  <MolWeight> (1,313)
429.51256

>  <COMPOUND_NAME> (1,313)
WAY-309610

>  <BAR_CODE_NO> (1,313)
3913749

$$$$
WAY-309615
csChFnd80/06171916322D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -0.8607    0.4833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1107    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2982    1.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2560   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0190    0.8583    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0690    1.8083    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2560    1.1333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0060   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2982   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0190    0.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3810   -0.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1190   -0.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1310   -0.8042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2560   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0060   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5018   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  3  2  0  0  0  0
  7  2  2  0  0  0  0
  8  4  1  0  0  0  0
  9  1  1  0  0  0  0
 10  9  1  0  0  0  0
 11  8  2  0  0  0  0
 12  4  2  0  0  0  0
 13 11  1  0  0  0  0
 14 12  1  0  0  0  0
 15 14  2  0  0  0  0
 16 13  1  0  0  0  0
 10  5  1  0  0  0  0
 11 15  1  0  0  0  0
M  END
>  <Mol_ID> (1,314)
1314

>  <Formula> (1,314)
C11H11NO2S2

>  <MolWeight> (1,314)
253.34054

>  <COMPOUND_NAME> (1,314)
WAY-309615

>  <BAR_CODE_NO> (1,314)
3913754

$$$$
WAY-309639-A
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -2.7414    0.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7448    1.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0172    0.0069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4586    0.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000    1.2586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4586    1.6621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2966    0.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1724    0.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1724    1.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5828    0.0172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1276    0.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8448    0.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8414   -0.8069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5552    0.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5552   -1.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    0.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2724   -0.8069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5586   -2.0414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9828    0.4379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9862   -1.2172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2724   -2.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9793    1.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7000   -0.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
  5  7  2  0  0  0  0
  8  9  2  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,315)
1315

>  <Formula> (1,315)
C17H19N3O3

>  <MolWeight> (1,315)
313.35106

>  <COMPOUND_NAME> (1,315)
WAY-309639-A

>  <BAR_CODE_NO> (1,315)
3913779

$$$$
WAY-309640
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -2.7606    0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7606    1.1274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8639   -0.1070    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5778   -0.2691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8639    1.4067    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5778    1.6033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3329    0.6516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3571    0.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3571    1.1033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3743    0.6792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0706   -0.1277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9947   -0.1588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4740   -0.9691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4016   -0.9691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8775   -0.1864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8499   -1.7864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8016   -0.1864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7706   -1.8105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2533   -1.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3326    0.6205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 17 20  1  0  0  0  0
  5  7  2  0  0  0  0
  8  9  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,316)
1316

>  <Formula> (1,316)
C16H16N2OS

>  <MolWeight> (1,316)
284.37604

>  <COMPOUND_NAME> (1,316)
WAY-309640

>  <BAR_CODE_NO> (1,316)
3913780

$$$$
WAY-309643
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -1.3103   -0.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6241    0.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0793   -0.8034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3931   -0.4172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5552    0.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0069    1.3552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8448   -0.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1586   -1.7172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2069    0.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1793    1.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0931    1.1793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7552   -0.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4241   -2.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1207    0.1345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0931    1.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3931    0.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7552    0.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4897   -0.6828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6069    0.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7207    1.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4414   -0.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4414    0.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9897   -1.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1897    0.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0931   -0.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8552   -1.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  2  0  0  0  0
 12 16  2  0  0  0  0
 14 17  1  0  0  0  0
 14 18  1  0  0  0  0
 17 19  2  0  0  0  0
 17 20  1  0  0  0  0
 18 21  2  0  0  0  0
 19 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
  5  7  2  0  0  0  0
  9 11  1  0  0  0  0
 15 16  1  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,317)
1317

>  <Formula> (1,317)
C20H24N6

>  <MolWeight> (1,317)
348.44476

>  <COMPOUND_NAME> (1,317)
WAY-309643

>  <BAR_CODE_NO> (1,317)
3913785

$$$$
WAY-326204
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
   12.6500   -7.5125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9792   -6.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3417   -7.5292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9917   -9.4667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0292   -9.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9542   -4.2875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.6292   -7.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1750   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3917  -10.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9542   -2.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3875  -10.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1750    0.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4417   -2.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6167   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4417   -4.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8542   -2.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6167   -5.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8542   -4.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8 10  1  0  0  0  0
  9  5  1  0  0  0  0
 10  6  1  0  0  0  0
 11  7  2  0  0  0  0
 12 11  1  0  0  0  0
 13  8  2  0  0  0  0
 14  8  1  0  0  0  0
 15 14  2  0  0  0  0
 16 14  1  0  0  0  0
 17 15  1  0  0  0  0
 18 16  2  0  0  0  0
 19 18  1  0  0  0  0
  3  4  1  0  0  0  0
  9 12  2  0  0  0  0
 17 19  2  0  0  0  0
M  END
>  <Mol_ID> (1,318)
1318

>  <Formula> (1,318)
C14H11N3OS

>  <MolWeight> (1,318)
269.32164

>  <COMPOUND_NAME> (1,318)
WAY-326204

>  <BAR_CODE_NO> (1,318)
2559076

$$$$
WAY-328031
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -6.6292   12.5667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6667   13.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5792   11.2250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6292    5.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8417    5.1042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5208   14.6000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2833   12.5917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9542   12.5417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6292    1.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6583   14.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5792    8.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3958    0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7167   10.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4333   10.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8417    3.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6083    2.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4750    5.1667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8458   15.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1417   16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1542    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4208    9.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7167    9.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8417    0.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0708    1.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0917    2.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3958   -0.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4 11  1  0  0  0  0
  5  4  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  2  0  0  0  0
  8  1  2  0  0  0  0
  9 16  2  0  0  0  0
 10  2  2  0  0  0  0
 11 21  1  0  0  0  0
 12  9  1  0  0  0  0
 13  3  1  0  0  0  0
 14  3  1  0  0  0  0
 15  5  1  0  0  0  0
 16 15  1  0  0  0  0
 17  4  2  0  0  0  0
 18  6  1  0  0  0  0
 19 10  1  0  0  0  0
 20 12  2  0  0  0  0
 21 14  1  0  0  0  0
 22 13  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 15  2  0  0  0  0
 26 12  1  0  0  0  0
 11 22  1  0  0  0  0
 19 18  2  0  0  0  0
  9 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,319)
1319

>  <Formula> (1,319)
C18H20N2O4S2

>  <MolWeight> (1,319)
392.4924

>  <COMPOUND_NAME> (1,319)
WAY-328031

>  <BAR_CODE_NO> (1,319)
2570615

$$$$
WAY-340034
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
    1.6375    0.2333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7167    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7167   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1792    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1792   -0.5875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6375   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000    0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000   -0.4875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1000   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000   -0.6042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000   -1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1792    1.0333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5792   -1.9292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0792   -1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542   -1.1042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3375    1.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208    0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5792    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1375    1.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458    1.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4000    1.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0875   -2.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0500   -2.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6208    2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0167    0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6000   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0792   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5167   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  1  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  3  1  0  0  0  0
  9  7  2  0  0  0  0
 10  6  1  0  0  0  0
 11 16  1  0  0  0  0
 12  1  1  0  0  0  0
 13  4  2  0  0  0  0
 14  7  1  0  0  0  0
 15 11  1  0  0  0  0
 16 10  1  0  0  0  0
 17 11  2  0  0  0  0
 18 14  2  0  0  0  0
 19 14  1  0  0  0  0
 20 12  1  0  0  0  0
 21 18  1  0  0  0  0
 22 19  2  0  0  0  0
 23 22  1  0  0  0  0
 24 15  1  0  0  0  0
 25 15  1  0  0  0  0
 26 23  1  0  0  0  0
 27 20  2  0  0  0  0
 28 20  1  0  0  0  0
 29 28  2  0  0  0  0
 30 27  1  0  0  0  0
 31 29  1  0  0  0  0
  3  2  2  0  0  0  0
  8  9  1  0  0  0  0
 30 31  2  0  0  0  0
 23 21  2  0  0  0  0
M  END
>  <Mol_ID> (1,320)
1320

>  <Formula> (1,320)
C24H23N3O2S2

>  <MolWeight> (1,320)
449.58832

>  <COMPOUND_NAME> (1,320)
WAY-340034

>  <BAR_CODE_NO> (1,320)
2550503

$$$$
WAY-340046
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
    0.1587    0.3305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3585    0.6305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1587   -0.2695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6725    0.6305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3585    1.2305    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8930    0.3305    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3585   -0.5695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6725   -0.5695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1725    0.3305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1587    1.5305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8275    1.6409    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8930   -0.2695    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3585   -1.1695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1725   -0.2695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0070    2.1305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7070    1.2788    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5585    2.1926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1587   -1.4695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8930   -1.4695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4070    2.5788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1587   -2.0695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8930   -2.0695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8070    3.0685    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3585   -2.3695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6967   -2.3695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3585   -2.9695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  2  0  0  0  0
 10 15  2  0  0  0  0
 10 16  1  0  0  0  0
 11 17  2  0  0  0  0
 13 18  1  0  0  0  0
 13 19  2  0  0  0  0
 15 20  1  0  0  0  0
 18 21  2  0  0  0  0
 19 22  1  0  0  0  0
 20 23  3  0  0  0  0
 21 24  1  0  0  0  0
 21 25  1  0  0  0  0
 24 26  1  0  0  0  0
  7 12  2  0  0  0  0
  9 14  1  0  0  0  0
 15 17  1  0  0  0  0
 22 24  2  0  0  0  0
M  END
>  <Mol_ID> (1,321)
1321

>  <Formula> (1,321)
C20H16N6

>  <MolWeight> (1,321)
340.38124

>  <COMPOUND_NAME> (1,321)
WAY-340046

>  <BAR_CODE_NO> (1,321)
2550827

$$$$
WAY-340177
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   13.0042   -4.1292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0292   -5.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4167   -6.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3917   -5.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3667   -3.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2750   -2.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4625   -3.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0417   -0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5500   -6.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1292   -3.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7792   -3.5875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -5.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9792   -4.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2042    0.5958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6500   -5.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6917   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6625   -2.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4292   -1.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3542   -5.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875   -3.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7292   -5.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6 10  2  0  0  0  0
  7  1  1  0  0  0  0
  8  6  1  0  0  0  0
  9  2  1  0  0  0  0
 10 11  1  0  0  0  0
 11 15  1  0  0  0  0
 12 13  1  0  0  0  0
 13  7  2  0  0  0  0
 14  8  2  0  0  0  0
 15  4  1  0  0  0  0
 16  8  1  0  0  0  0
 17  6  1  0  0  0  0
 18  7  1  0  0  0  0
 19 10  1  0  0  0  0
 20 21  1  0  0  0  0
 21 19  2  0  0  0  0
  3  4  1  0  0  0  0
 12  9  2  0  0  0  0
 17 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,322)
1322

>  <Formula> (1,322)
C16H14N2O2S

>  <MolWeight> (1,322)
298.35956

>  <COMPOUND_NAME> (1,322)
WAY-340177

>  <BAR_CODE_NO> (1,322)
2550550

$$$$
WAY-340203
csChFnd80/06171916322D

 22 23  0  0  0  0  0  0  0  0999 V2000
    3.0042   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3667   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2667    0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7667    0.2458    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.5292    0.3458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875    0.5833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8667   -0.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792    0.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667   -0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3667    1.0458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4875   -0.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2792   -1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1667   -1.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1292   -0.7542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6042   -0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8875   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0167   -1.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7875   -0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6292    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167   -0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1375   -0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  6  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  1  1  0  0  0  0
  8  4  1  0  0  0  0
  9  8  2  0  0  0  0
 10  3  2  0  0  0  0
 11  7  2  0  0  0  0
 12 17  1  0  0  0  0
 13 12  2  0  0  0  0
 14  7  1  0  0  0  0
 15  2  1  0  0  0  0
 16  9  1  0  0  0  0
 17 14  1  0  0  0  0
 18 16  1  0  0  0  0
 19 16  2  0  0  0  0
 20 19  1  0  0  0  0
 21 18  2  0  0  0  0
 22 20  2  0  0  0  0
  5  3  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,323)
1323

>  <Formula> (1,323)
C17H18N2O3

>  <MolWeight> (1,323)
298.33642

>  <COMPOUND_NAME> (1,323)
WAY-340203

>  <BAR_CODE_NO> (1,323)
2550967

$$$$
WAY-340213
csChFnd80/06171916322D

 20 21  0  0  0  0  0  0  0  0999 V2000
   12.7167   -7.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.9042   -5.8125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.5292   -8.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1667   -6.4375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2792   -8.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6792  -10.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4917  -11.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6417  -13.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4625  -14.4542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2500   -5.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1792   -8.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1542  -11.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -10.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9792  -13.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5542   -4.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5042   -7.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9000   -7.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9542   -3.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6542   -4.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6292   -6.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  1  2  0  0  0  0
  6  3  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  2  1  0  0  0  0
 11  3  1  0  0  0  0
 12 13  1  0  0  0  0
 13 11  2  0  0  0  0
 14  8  1  0  0  0  0
 15 10  1  0  0  0  0
 16 10  1  0  0  0  0
 17 16  1  0  0  0  0
 18 15  1  0  0  0  0
 19 18  1  0  0  0  0
 20 17  1  0  0  0  0
 12  7  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,324)
1324

>  <Formula> (1,324)
C15H21NO3S

>  <MolWeight> (1,324)
295.39714

>  <COMPOUND_NAME> (1,324)
WAY-340213

>  <BAR_CODE_NO> (1,324)
2550977

$$$$
WAY-340664
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -2.2158    0.5605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4020    0.5605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2158   -0.4568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1882    1.1846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5463    1.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4020   -0.4568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3123   -0.9740    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1882   -1.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1847    0.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5463    0.5019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5463    2.1536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5015   -0.9740    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1847   -0.5154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5463   -0.6464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5360    1.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5360   -1.2361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5360    0.5019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4946   -0.6464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5049   -1.2361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  8 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  2  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
  6  7  1  0  0  0  0
  9 13  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (1,325)
1325

>  <Formula> (1,325)
C16H17NOS

>  <MolWeight> (1,325)
271.37728

>  <COMPOUND_NAME> (1,325)
WAY-340664

>  <BAR_CODE_NO> (1,325)
2550763

$$$$
WAY-340665
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -0.6336   -1.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7474   -1.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1457   -2.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3508    0.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6543   -2.7966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7853   -0.9897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4853   -3.0793    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3457   -1.9586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6940    0.6345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3922    0.6345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7957   -3.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8301   -1.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6940    1.8379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8370   -2.7931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7354    2.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7699    1.8379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7285    3.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8147    2.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7699    4.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8147    3.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  9 13  1  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
  5  7  1  0  0  0  0
 12 14  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,326)
1326

>  <Formula> (1,326)
C16H18N2OS

>  <MolWeight> (1,326)
286.39192

>  <COMPOUND_NAME> (1,326)
WAY-340665

>  <BAR_CODE_NO> (1,326)
2550762

$$$$
WAY-340682
csChFnd80/06171916322D

 33 36  0  0  0  0  0  0  0  0999 V2000
    1.4667   -2.9000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1792   -1.6750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5875   -1.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4667   -7.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000  -13.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6917   -3.6042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417   -2.1792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4625   -5.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5750    0.7583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667   -6.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7042  -12.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   -8.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5917  -13.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7125  -10.1667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4292  -15.1750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8792   -7.7417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1542  -15.1667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0042  -11.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2792  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2792   -0.4500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.1667    0.7500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.7667   -8.9667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6917   -7.7167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875  -12.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5792   -8.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5917  -11.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583   -4.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6375   -6.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458   -5.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4417    1.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6750   -0.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  2  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8  1  2  0  0  0  0
  9  1  2  0  0  0  0
 10  3  2  0  0  0  0
 11 23  1  0  0  0  0
 12 10  1  0  0  0  0
 13 20  2  0  0  0  0
 14 27  1  0  0  0  0
 15 26  1  0  0  0  0
 16 14  1  0  0  0  0
 17  7  1  0  0  0  0
 18  6  1  0  0  0  0
 19 15  1  0  0  0  0
 20 16  1  0  0  0  0
 21 17  1  0  0  0  0
 22  4  1  0  0  0  0
 23  5  1  0  0  0  0
 24  6  2  0  0  0  0
 25 14  2  0  0  0  0
 26 28  2  0  0  0  0
 27 18  1  0  0  0  0
 28 20  1  0  0  0  0
 29  3  1  0  0  0  0
 30 31  1  0  0  0  0
 31 29  2  0  0  0  0
 32 23  1  0  0  0  0
 33 22  1  0  0  0  0
 22 11  1  0  0  0  0
 12 30  2  0  0  0  0
 15  7  2  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,327)
1327

>  <Formula> (1,327)
C22H24N2O8S

>  <MolWeight> (1,327)
476.49956

>  <COMPOUND_NAME> (1,327)
WAY-340682

>  <BAR_CODE_NO> (1,327)
2550665

$$$$
WAY-340694
csChFnd80/06171916322D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -4.3458   -5.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0042  -12.4125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.5667  -12.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667   -7.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5375   -3.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8875   -5.5417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9375   -9.8667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4417  -14.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6000   -7.6250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5125  -14.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2875  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0500   -5.6125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3000   -1.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9542   -3.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6833   -7.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3917   -9.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5333    0.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0917   -1.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9500    0.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0875    2.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3 16  1  0  0  0  0
  4 15  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8  2  1  0  0  0  0
  9  1  2  0  0  0  0
 10  3  2  0  0  0  0
 11 10  1  0  0  0  0
 12  4  2  0  0  0  0
 13  5  1  0  0  0  0
 14  5  2  0  0  0  0
 15  6  1  0  0  0  0
 16  7  1  0  0  0  0
 17 13  2  0  0  0  0
 18 14  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 19 17  1  0  0  0  0
 11  8  2  0  0  0  0
M  END
>  <Mol_ID> (1,328)
1328

>  <Formula> (1,328)
C15H15NO3S

>  <MolWeight> (1,328)
289.3495

>  <COMPOUND_NAME> (1,328)
WAY-340694

>  <BAR_CODE_NO> (1,328)
2550676

$$$$
WAY-340702
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    9.3500   -3.4042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9167   -4.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5417   -2.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8250   -4.2917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6042   -3.2292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5417   -1.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4667   -5.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6542   -2.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6542   -1.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5875   -1.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9250   -6.2792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5542   -5.3417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8250   -7.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7292   -7.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7167   -3.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1000   -6.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1792   -6.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3667   -6.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3667   -8.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4500   -8.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4542   -6.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9 10  1  0  0  0  0
 10  6  2  0  0  0  0
 11  7  2  0  0  0  0
 12  7  1  0  0  0  0
 13 14  1  0  0  0  0
 14 17  1  0  0  0  0
 15  8  1  0  0  0  0
 16 12  1  0  0  0  0
 17 16  1  0  0  0  0
 18 13  1  0  0  0  0
 19 13  2  0  0  0  0
 20 19  1  0  0  0  0
 21 18  2  0  0  0  0
 22 20  2  0  0  0  0
  4  5  1  0  0  0  0
  8  9  2  0  0  0  0
 22 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,329)
1329

>  <Formula> (1,329)
C15H14N4O3

>  <MolWeight> (1,329)
298.29666

>  <COMPOUND_NAME> (1,329)
WAY-340702

>  <BAR_CODE_NO> (1,329)
2550729

$$$$
WAY-340772
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
    5.9375   -4.8625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4667   -2.3417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7167   -6.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7375   -1.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6667   -3.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4667   -4.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7292   -3.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9375   -2.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9125   -8.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2667   -6.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9417   -7.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2792   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3750   -8.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6750   -7.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0292   -7.5125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9000   -6.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5917   -7.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3542   -6.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2417   -2.1167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4625    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6917  -10.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5417    0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2125   -7.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7042    1.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2417  -10.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500    1.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  5  1  0  0  0  0
  9 13  1  0  0  0  0
 10  3  1  0  0  0  0
 11  3  2  0  0  0  0
 12  4  1  0  0  0  0
 13 17  2  0  0  0  0
 14 16  1  0  0  0  0
 15 10  1  0  0  0  0
 16 18  2  0  0  0  0
 17 15  1  0  0  0  0
 18 17  1  0  0  0  0
 19 12  1  0  0  0  0
 20  4  2  0  0  0  0
 21  9  2  0  0  0  0
 22 12  2  0  0  0  0
 23 14  2  0  0  0  0
 24 20  1  0  0  0  0
 25 21  1  0  0  0  0
 26 24  2  0  0  0  0
 27 23  1  0  0  0  0
  8  2  1  0  0  0  0
 22 26  1  0  0  0  0
 14  9  1  0  0  0  0
 27 25  2  0  0  0  0
M  END
>  <Mol_ID> (1,330)
1330

>  <Formula> (1,330)
C22H22N2O3

>  <MolWeight> (1,330)
362.42168

>  <COMPOUND_NAME> (1,330)
WAY-340772

>  <BAR_CODE_NO> (1,330)
2550780

$$$$
WAY-340818
csChFnd80/06171916322D

 30 34  0  0  0  0  0  0  0  0999 V2000
    7.7917   -5.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4250   -6.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5792   -5.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8292   -7.5667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2750   -8.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0042   -6.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7917   -9.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6375   -7.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7625  -10.6417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.5375   -8.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6417   -6.4875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.6000   -7.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8292   -9.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3667   -4.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9542   -4.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3042   -7.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2125   -6.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8042   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4667   -7.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0625   -8.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0625  -10.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5792   -4.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7417   -3.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2167   -7.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6875   -8.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8500   -8.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -9.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3167   -2.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1542   -3.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5292   -2.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5 12  1  0  0  0  0
  6  3  1  0  0  0  0
  7  5  2  0  0  0  0
  8  6  1  0  0  0  0
  9  7  1  0  0  0  0
 10  5  1  0  0  0  0
 11  2  1  0  0  0  0
 12 16  1  0  0  0  0
 13 10  1  0  0  0  0
 14  1  1  0  0  0  0
 15  3  2  0  0  0  0
 16 11  1  0  0  0  0
 17 12  2  0  0  0  0
 18  6  2  0  0  0  0
 19 10  2  0  0  0  0
 20  8  2  0  0  0  0
 21 13  2  0  0  0  0
 22 14  2  0  0  0  0
 23 14  1  0  0  0  0
 24 18  1  0  0  0  0
 25 19  1  0  0  0  0
 26 24  2  0  0  0  0
 27 25  2  0  0  0  0
 28 23  2  0  0  0  0
 29 22  1  0  0  0  0
 30 28  1  0  0  0  0
  4  8  1  0  0  0  0
 29 30  2  0  0  0  0
 26 20  1  0  0  0  0
  9 13  1  0  0  0  0
 27 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,331)
1331

>  <Formula> (1,331)
C24H17N3O2S

>  <MolWeight> (1,331)
411.47568

>  <COMPOUND_NAME> (1,331)
WAY-340818

>  <BAR_CODE_NO> (1,331)
2550789

$$$$
WAY-340388
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
   11.1167   -4.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9042   -3.5417    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.1250   -5.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6917   -5.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9125   -6.3542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6917   -4.2417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3292   -3.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8917   -2.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6750   -1.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6667   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4792   -6.3542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.3292   -2.1167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8875    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5500   -4.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1125   -1.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1042   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3500   -6.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4375    0.6875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8875    2.0958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5500   -5.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7625   -3.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2125   -0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9917   -4.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7750   -6.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -5.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  5  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11  4  2  0  0  0  0
 12  7  2  0  0  0  0
 13 16  1  0  0  0  0
 14  7  1  0  0  0  0
 15  8  1  0  0  0  0
 16 15  2  0  0  0  0
 17  3  1  0  0  0  0
 18 10  1  0  0  0  0
 19 13  1  0  0  0  0
 20 14  2  0  0  0  0
 21 14  1  0  0  0  0
 22 18  1  0  0  0  0
 23 19  1  0  0  0  0
 24 21  2  0  0  0  0
 25 20  1  0  0  0  0
 26 24  1  0  0  0  0
  4  6  1  0  0  0  0
 26 25  2  0  0  0  0
 10 13  2  0  0  0  0
M  END
>  <Mol_ID> (1,332)
1332

>  <Formula> (1,332)
C20H20N2O3S

>  <MolWeight> (1,332)
368.4494

>  <COMPOUND_NAME> (1,332)
WAY-340388

>  <BAR_CODE_NO> (1,332)
2550378

$$$$
WAY-340424
csChFnd80/06171916322D

 24 25  0  0  0  0  0  0  0  0999 V2000
    1.7417   -9.8667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8792  -11.9042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.6042   -7.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2125  -11.9417    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -5.2208   -5.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7875   -5.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4167   -7.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8750   -5.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3542  -13.9917    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -5.1750   -1.7292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458   -7.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3417   -3.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2417    0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5250    4.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7792    6.7292    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -8.6250    0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0083    2.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6667    2.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1417    4.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6750  -13.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8167  -15.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4125   -9.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1625  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7167  -14.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  8  1  0  0  0  0
  6  3  2  0  0  0  0
  7  5  2  0  0  0  0
  8 11  1  0  0  0  0
  9  4  1  0  0  0  0
 10 12  1  0  0  0  0
 11  3  1  0  0  0  0
 12  5  1  0  0  0  0
 13 10  1  0  0  0  0
 14 19  1  0  0  0  0
 15 14  1  0  0  0  0
 16 13  2  0  0  0  0
 17 13  1  0  0  0  0
 18 16  1  0  0  0  0
 19 17  2  0  0  0  0
 20  2  1  0  0  0  0
 21 20  1  0  0  0  0
 22  4  1  0  0  0  0
 23 21  1  0  0  0  0
 24  9  1  0  0  0  0
  9 23  1  0  0  0  0
 14 18  2  0  0  0  0
M  END
>  <Mol_ID> (1,333)
1333

>  <Formula> (1,333)
C18H24ClNO4

>  <MolWeight> (1,333)
353.84046

>  <COMPOUND_NAME> (1,333)
WAY-340424

>  <BAR_CODE_NO> (1,333)
2550414

$$$$
WAY-340460
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
    7.9042   -1.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2667   -2.9542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3917   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6417   -1.9292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1042   -0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2667   -4.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6750   -5.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9042    1.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6792   -7.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6042    1.1833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3292    0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2667   -2.5292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9000   -5.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2917   -7.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9042   -7.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000    1.1958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1000   -7.8250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   13.4500   -0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4500    2.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1500   -0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1500    2.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9250    2.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6417    0.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2917   -9.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5667    1.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8292    3.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1500    3.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  6  2  0  0  0  0
  8  5  1  0  0  0  0
  9  7  1  0  0  0  0
 10  8  1  0  0  0  0
 11  3  1  0  0  0  0
 12  1  1  0  0  0  0
 13  6  1  0  0  0  0
 14 15  1  0  0  0  0
 15 13  2  0  0  0  0
 16 21  1  0  0  0  0
 17  9  1  0  0  0  0
 18 10  1  0  0  0  0
 19 10  1  0  0  0  0
 20 18  1  0  0  0  0
 21 19  1  0  0  0  0
 22 11  2  0  0  0  0
 23 11  1  0  0  0  0
 24 14  1  0  0  0  0
 25 23  2  0  0  0  0
 26 22  1  0  0  0  0
 27 25  1  0  0  0  0
  4  5  2  0  0  0  0
 26 27  2  0  0  0  0
  9 14  2  0  0  0  0
 20 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,334)
1334

>  <Formula> (1,334)
C21H23ClN4O

>  <MolWeight> (1,334)
382.88652

>  <COMPOUND_NAME> (1,334)
WAY-340460

>  <BAR_CODE_NO> (1,334)
2550542

$$$$
WAY-340506
csChFnd80/06171916322D

 31 33  0  0  0  0  0  0  0  0999 V2000
   13.2292   -7.8292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.1375    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1167   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1917    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3667   -6.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1042    2.3833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1667   -2.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0542   -3.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9167   -5.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1917   -2.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0750   -1.0375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6000   -2.2917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.0042   -7.9750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4542   -7.6917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0875   -9.6042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1375   -1.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2125    2.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6500   -2.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9625   -5.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2750    0.4625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1042   -3.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5167   -2.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1375    4.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917   -4.9250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333   -1.0167    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.1625    4.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7667   -9.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7917   -0.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1125    5.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3 12  1  0  0  0  0
  4  2  2  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  2  0  0  0  0
  8 11  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  2  0  0  0  0
 11  7  1  0  0  0  0
 12 23  1  0  0  0  0
 13  9  1  0  0  0  0
 14  1  1  0  0  0  0
 15  1  2  0  0  0  0
 16  1  2  0  0  0  0
 17 13  1  0  0  0  0
 18  4  1  0  0  0  0
 19 22  1  0  0  0  0
 20  5  1  0  0  0  0
 21 17  2  0  0  0  0
 22 20  2  0  0  0  0
 23 17  1  0  0  0  0
 24  6  2  0  0  0  0
 25  7  1  0  0  0  0
 26  8  1  0  0  0  0
 27 24  1  0  0  0  0
 28 14  1  0  0  0  0
 29 14  1  0  0  0  0
 30 19  1  0  0  0  0
 31 24  1  0  0  0  0
 19  9  2  0  0  0  0
  8  4  1  0  0  0  0
 18 27  2  0  0  0  0
M  END
>  <Mol_ID> (1,335)
1335

>  <Formula> (1,335)
C21H21Cl2N3O4S

>  <MolWeight> (1,335)
482.38014

>  <COMPOUND_NAME> (1,335)
WAY-340506

>  <BAR_CODE_NO> (1,335)
2550462

$$$$
WAY-340560
csChFnd80/06171916322D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -7.1542   -4.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0125   -6.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2667   -2.0167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2583   -8.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7208   -6.0417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8875  -10.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3625   -3.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0167   -0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1542   -8.0417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8792   -1.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667   -6.0292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5708   -8.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2625  -12.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8875  -14.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5583  -12.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500  -15.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7000  -14.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5500  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4 12  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  1  2  0  0  0  0
  8  3  1  0  0  0  0
  9  2  2  0  0  0  0
 10  7  1  0  0  0  0
 11  4  2  0  0  0  0
 12  5  1  0  0  0  0
 13  6  1  0  0  0  0
 14 13  1  0  0  0  0
 15 13  1  0  0  0  0
 16 14  1  0  0  0  0
 17 15  1  0  0  0  0
 18 17  1  0  0  0  0
  8 10  2  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,336)
1336

>  <Formula> (1,336)
C13H17NO3S

>  <MolWeight> (1,336)
267.34398

>  <COMPOUND_NAME> (1,336)
WAY-340560

>  <BAR_CODE_NO> (1,336)
2550560

$$$$
WAY-340571
csChFnd80/06171916322D

 22 23  0  0  0  0  0  0  0  0999 V2000
    3.7750   -1.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5542   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042    0.9208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6917    0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8917   -3.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0375    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5167   -7.3167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6125   -9.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3917  -11.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4292   -5.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5667  -13.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1250   -3.4917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7667   -5.4042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5042   -3.5417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8917   -9.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8417  -13.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2250   -5.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1917  -11.1292    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -11.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8750  -15.0917    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292   -2.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2792    4.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  2  0  0  0  0
  7 10  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10 17  1  0  0  0  0
 11  9  1  0  0  0  0
 12  5  1  0  0  0  0
 13  5  2  0  0  0  0
 14 10  2  0  0  0  0
 15  8  1  0  0  0  0
 16 19  1  0  0  0  0
 17 12  1  0  0  0  0
 18  9  1  0  0  0  0
 19 15  2  0  0  0  0
 20 16  1  0  0  0  0
 21  2  1  0  0  0  0
 22  6  1  0  0  0  0
  3  6  1  0  0  0  0
 11 16  2  0  0  0  0
M  END
>  <Mol_ID> (1,337)
1337

>  <Formula> (1,337)
C15H13F2NO4

>  <MolWeight> (1,337)
309.2648264

>  <COMPOUND_NAME> (1,337)
WAY-340571

>  <BAR_CODE_NO> (1,337)
2550571

$$$$
WAY-340619
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.2000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542    5.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2292    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6917   -0.2917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7083    1.7000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.9167   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0500   -2.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2042    2.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8292    1.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4458    5.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3625    3.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6292   -4.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2792   -2.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9375   -4.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7292   -2.4417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3917   -4.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7667   -6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7375    7.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5583    2.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8708    4.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9583    6.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  3  2  0  0  0  0
  9  8  1  0  0  0  0
 10  2  1  0  0  0  0
 11  5  1  0  0  0  0
 12 16  1  0  0  0  0
 13  7  1  0  0  0  0
 14  7  2  0  0  0  0
 15 12  2  0  0  0  0
 16 13  1  0  0  0  0
 17 12  1  0  0  0  0
 18 10  1  0  0  0  0
 19 11  1  0  0  0  0
 20 17  1  0  0  0  0
 21 19  2  0  0  0  0
 22 18  2  0  0  0  0
 10 11  2  0  0  0  0
  9  6  2  0  0  0  0
 22 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,338)
1338

>  <Formula> (1,338)
C15H12N2O3S2

>  <MolWeight> (1,338)
332.39738

>  <COMPOUND_NAME> (1,338)
WAY-340619

>  <BAR_CODE_NO> (1,338)
2550613

$$$$
WAY-340873
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
    6.1917   -3.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7667   -2.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5042   -2.9917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5792   -3.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3875   -3.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8917   -3.8042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0667   -3.7167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3667   -3.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7250   -2.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2042   -2.3000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.9042   -2.8917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250   -3.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0292   -2.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000   -3.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2500   -2.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6292   -1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2417   -2.7167    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.9917   -4.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0250   -1.4042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7667   -4.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167   -4.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2875   -1.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0667   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2792   -4.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542   -4.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  8  2  0  0  0  0
  7  6  1  0  0  0  0
  8  1  1  0  0  0  0
  9 10  1  0  0  0  0
 10 13  1  0  0  0  0
 11  9  1  0  0  0  0
 12 11  1  0  0  0  0
 13  8  1  0  0  0  0
 14 12  2  0  0  0  0
 15  3  1  0  0  0  0
 16  2  1  0  0  0  0
 17 14  1  0  0  0  0
 18  5  1  0  0  0  0
 19 22  1  0  0  0  0
 20 12  1  0  0  0  0
 21 14  1  0  0  0  0
 22 15  1  0  0  0  0
 23 19  1  0  0  0  0
 24 20  2  0  0  0  0
 25 24  1  0  0  0  0
  5  3  1  0  0  0  0
  7  9  2  0  0  0  0
 21 25  2  0  0  0  0
M  END
>  <Mol_ID> (1,339)
1339

>  <Formula> (1,339)
C18H21FN4OS

>  <MolWeight> (1,339)
360.4489432

>  <COMPOUND_NAME> (1,339)
WAY-340873

>  <BAR_CODE_NO> (1,339)
2551106

$$$$
WAY-340884
csChFnd80/06171916322D

 32 36  0  0  0  0  0  0  0  0999 V2000
    4.7042   -2.5417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5625   -3.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0292   -2.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7500   -5.4417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8625   -7.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2167   -4.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5125   -1.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1667   -8.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0667   -5.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5125   -9.7792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6125   -7.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2500   -3.9750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.9292   -5.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1917   -1.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0125   -8.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1750   -1.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1375   -5.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7875   -3.9417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0042    0.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542   -4.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6625    0.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9042   -5.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667   -6.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6917    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4667    1.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6917   -9.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1542    1.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5500   -1.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708   -5.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5875   -6.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917   -6.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5 13  1  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8  5  2  0  0  0  0
  9  6  1  0  0  0  0
 10  8  1  0  0  0  0
 11  5  1  0  0  0  0
 12  2  1  0  0  0  0
 13 17  1  0  0  0  0
 14  7  2  0  0  0  0
 15 11  1  0  0  0  0
 16  3  2  0  0  0  0
 17 12  1  0  0  0  0
 18 13  2  0  0  0  0
 19 14  1  0  0  0  0
 20  6  2  0  0  0  0
 21  7  1  0  0  0  0
 22 11  2  0  0  0  0
 23  9  2  0  0  0  0
 24 19  1  0  0  0  0
 25 21  2  0  0  0  0
 26 15  2  0  0  0  0
 27 25  1  0  0  0  0
 28 24  1  0  0  0  0
 29 20  1  0  0  0  0
 30 22  1  0  0  0  0
 31 29  2  0  0  0  0
 32 30  2  0  0  0  0
  4  9  1  0  0  0  0
 19 27  2  0  0  0  0
 31 23  1  0  0  0  0
 10 15  1  0  0  0  0
 32 26  1  0  0  0  0
M  END
>  <Mol_ID> (1,340)
1340

>  <Formula> (1,340)
C25H19N3O3S

>  <MolWeight> (1,340)
441.50166

>  <COMPOUND_NAME> (1,340)
WAY-340884

>  <BAR_CODE_NO> (1,340)
2550833

$$$$
WAY-340916
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    7.2000   -6.5917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.4750   -7.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1917   -7.4167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7542   -7.4167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4750   -8.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7542   -9.0667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2042   -5.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0250   -6.5917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3750   -6.5875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0417   -7.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0417   -8.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9167   -5.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1917   -9.0750    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.9167   -4.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4875   -5.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4875   -4.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3292   -9.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3292   -7.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2042   -4.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6292   -4.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6167   -7.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6167   -8.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  2  1  0  0  0  0
  6  5  2  0  0  0  0
  7  1  1  0  0  0  0
  8  1  2  0  0  0  0
  9  1  2  0  0  0  0
 10  4  1  0  0  0  0
 11  6  1  0  0  0  0
 12  7  2  0  0  0  0
 13  5  1  0  0  0  0
 14 12  1  0  0  0  0
 15  7  1  0  0  0  0
 16 15  2  0  0  0  0
 17 11  2  0  0  0  0
 18 10  2  0  0  0  0
 19 16  1  0  0  0  0
 20 14  1  0  0  0  0
 21 18  1  0  0  0  0
 22 17  1  0  0  0  0
 14 19  2  0  0  0  0
 10 11  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,341)
1341

>  <Formula> (1,341)
C15H12ClN3O2S

>  <MolWeight> (1,341)
333.79268

>  <COMPOUND_NAME> (1,341)
WAY-340916

>  <BAR_CODE_NO> (1,341)
2551013

$$$$
WAY-340935
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
    8.1542   -4.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7917   -5.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1250   -6.8167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1667   -5.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8000   -6.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1042   -5.7167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8417   -4.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7417   -6.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6792   -6.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0542   -6.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.9167    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   14.0292   -5.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0167   -8.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7167   -5.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6917   -8.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8292   -3.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2042   -3.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2000   -2.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8750   -2.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  7  1  0  0  0  0
  5  4  2  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  6  1  0  0  0  0
  9 13  1  0  0  0  0
 10  8  1  0  0  0  0
 11  9  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 10  2  0  0  0  0
 15 10  1  0  0  0  0
 16  1  2  0  0  0  0
 17  7  2  0  0  0  0
 18 16  1  0  0  0  0
 19 18  2  0  0  0  0
 19 17  1  0  0  0  0
  5  3  1  0  0  0  0
  9 12  2  0  0  0  0
M  END
>  <Mol_ID> (1,342)
1342

>  <Formula> (1,342)
C15H11BrN2O

>  <MolWeight> (1,342)
315.16464

>  <COMPOUND_NAME> (1,342)
WAY-340935

>  <BAR_CODE_NO> (1,342)
2550903

$$$$
WAY-340936
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    5.0292   -6.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6167   -5.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3750   -7.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5542   -5.9792    0.2250 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0917   -6.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3042   -7.5875   -0.0542 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8917   -6.8542    0.1000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7417   -5.5625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2792   -4.9417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6500   -8.4625   -0.1875 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5125   -7.1750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8292   -6.9917    0.1417 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0917   -3.6167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5792   -8.6042   -0.1417 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3292   -4.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1750   -7.8667    0.0167 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9792   -3.9417    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.9250   -9.4917   -0.2667 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1375   -2.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8625   -9.6417   -0.2250 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5625   -3.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0375   -2.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  6  1  0  0  0  0
  8  5  1  0  0  0  0
  9  2  2  0  0  0  0
 10  6  2  0  0  0  0
 11  5  2  0  0  0  0
 12  7  2  0  0  0  0
 13 17  1  0  0  0  0
 14 10  1  0  0  0  0
 15  8  1  0  0  0  0
 16 14  2  0  0  0  0
 17 15  1  0  0  0  0
 18 14  1  0  0  0  0
 19 13  1  0  0  0  0
 20 18  1  0  0  0  0
 21 17  1  0  0  0  0
 22 21  1  0  0  0  0
  4  7  1  0  0  0  0
 16 12  1  0  0  0  0
 22 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,343)
1343

>  <Formula> (1,343)
C16H17NO5

>  <MolWeight> (1,343)
303.30988

>  <COMPOUND_NAME> (1,343)
WAY-340936

>  <BAR_CODE_NO> (1,343)
2550904

$$$$
WAY-341033
csChFnd80/06171916322D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.5365   -0.0357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2393   -0.6426    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1952    0.8643    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3986   -0.5288    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0669   -0.0840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7945    0.8643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2986   -0.0357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9324   -0.5840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4117    1.6539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2986   -0.0357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2986    0.9608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7910   -0.0840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9324   -1.5806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1641    0.4643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1641   -0.5288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6600   -0.5840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5255   -0.0840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  1  0  0  0  0
  8 13  2  0  0  0  0
 10 14  1  0  0  0  0
 10 15  1  0  0  0  0
 12 16  1  0  0  0  0
 16 17  1  0  0  0  0
  5  6  2  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (1,344)
1344

>  <Formula> (1,344)
C11H14N2O3S

>  <MolWeight> (1,344)
254.30546

>  <COMPOUND_NAME> (1,344)
WAY-341033

>  <BAR_CODE_NO> (1,344)
2551413

$$$$
WAY-341085
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -1.5333   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6833   -0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0125   -0.9292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2958   -0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4833   -0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458   -0.7542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0375   -0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0708   -0.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7125    0.2458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7125    0.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042   -1.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4375   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5208    1.0208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042   -0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167   -1.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8000   -0.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4625   -0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2708   -1.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708   -1.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0625   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2708   -0.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  2  1  0  0  0  0
  9  7  1  0  0  0  0
 10  5  1  0  0  0  0
 11  7  2  0  0  0  0
 12  8  2  0  0  0  0
 13  9  1  0  0  0  0
 14  9  2  0  0  0  0
 15  8  1  0  0  0  0
 16 17  2  0  0  0  0
 17 14  1  0  0  0  0
 18 13  2  0  0  0  0
 19 16  1  0  0  0  0
 20 10  2  0  0  0  0
 21 10  1  0  0  0  0
 22 19  1  0  0  0  0
 23 21  2  0  0  0  0
 24 20  1  0  0  0  0
 25 23  1  0  0  0  0
  4  5  2  0  0  0  0
 16 18  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (1,345)
1345

>  <Formula> (1,345)
C19H16N2O3S

>  <MolWeight> (1,345)
352.40694

>  <COMPOUND_NAME> (1,345)
WAY-341085

>  <BAR_CODE_NO> (1,345)
2551196

$$$$
WAY-341094
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -2.6686   -1.1451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6548    0.0480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5479   -1.5037    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6686   -1.6968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5410    0.3618    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6410    0.5790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8617   -0.5486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6548   -1.0934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6548    0.0204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2590   -0.5486    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8486   -1.5486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0176   -1.5486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5866   -0.5106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6072   -2.5486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9831    0.4376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5555    1.4514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7003    1.4514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1762    2.5514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0348    2.5790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1245    3.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  6  9  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
  5  7  2  0  0  0  0
  8  9  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,346)
1346

>  <Formula> (1,346)
C14H13N3O2S

>  <MolWeight> (1,346)
287.33692

>  <COMPOUND_NAME> (1,346)
WAY-341094

>  <BAR_CODE_NO> (1,346)
2551116

$$$$
WAY-341178
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.8762    0.1106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0169    0.1106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4003   -0.6066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3969    0.8348    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4652   -0.6618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4652    0.8865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2520   -0.3307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1210   -1.4549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2520    0.5589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3583   -0.6618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3583    0.8831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0244   -0.7756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0244    1.0072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8066    0.1106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7969   -0.3273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7969    0.5589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6928    0.1072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1376   -0.6652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1411    0.8762    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0273   -0.6652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4721    0.1037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  2  0  0  0  0
  9 13  2  0  0  0  0
 10 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
  7  9  1  0  0  0  0
 11 14  2  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <Mol_ID> (1,347)
1347

>  <Formula> (1,347)
C16H13NO3S

>  <MolWeight> (1,347)
299.34432

>  <COMPOUND_NAME> (1,347)
WAY-341178

>  <BAR_CODE_NO> (1,347)
2551246

$$$$
WAY-341263
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   11.9042   -9.7917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.8292   -8.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2250   -7.1917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8792   -9.7917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2250   -8.8625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.8625   -8.0375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3667   -8.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3792   -8.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2417   -7.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9250   -9.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2417   -8.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9125  -10.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9042   -8.7667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8625   -9.7917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4375  -10.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4500   -8.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9542   -9.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4542   -8.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4542  -10.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -9.7917    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.3667  -10.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3625   -7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3625   -9.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4667   -7.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4667   -8.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  6  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  4  1  0  0  0  0
  9  3  1  0  0  0  0
 10  1  1  0  0  0  0
 11  5  1  0  0  0  0
 12  1  2  0  0  0  0
 13  1  2  0  0  0  0
 14  7  2  0  0  0  0
 15 10  2  0  0  0  0
 16 10  1  0  0  0  0
 17 18  1  0  0  0  0
 18 16  2  0  0  0  0
 19 15  1  0  0  0  0
 20 17  1  0  0  0  0
 21  4  1  0  0  0  0
 22  9  2  0  0  0  0
 23 11  2  0  0  0  0
 24 22  1  0  0  0  0
 25 23  1  0  0  0  0
 19 17  2  0  0  0  0
  9 11  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (1,348)
1348

>  <Formula> (1,348)
C16H14ClN3O3S2

>  <MolWeight> (1,348)
395.88366

>  <COMPOUND_NAME> (1,348)
WAY-341263

>  <BAR_CODE_NO> (1,348)
2551292

$$$$
WAY-341352
csChFnd80/06171916322D

 30 32  0  0  0  0  0  0  0  0999 V2000
    4.2417   -4.0167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4875   -5.3042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0125   -2.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2417   -1.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5000   -2.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7167   -1.4417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -5.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9542   -3.2625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5292   -4.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5125   -2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2625   -4.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5042   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333   -4.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2667   -1.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4542   -4.6167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2625   -6.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0125   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3417   -4.1167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5500   -2.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708   -5.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333   -6.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8375   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0250   -2.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2792    1.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4500   -5.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6292   -2.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6375   -5.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2292   -2.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2125   -5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -4.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5  3  2  0  0  0  0
  6  4  1  0  0  0  0
  7  2  1  0  0  0  0
  8  1  2  0  0  0  0
  9  1  2  0  0  0  0
 10  6  1  0  0  0  0
 11  7  1  0  0  0  0
 12 17  1  0  0  0  0
 13 11  2  0  0  0  0
 14  3  1  0  0  0  0
 15 10  2  0  0  0  0
 16  7  2  0  0  0  0
 17 14  2  0  0  0  0
 18 19  1  0  0  0  0
 19 10  1  0  0  0  0
 20 21  2  0  0  0  0
 21 16  1  0  0  0  0
 22 18  1  0  0  0  0
 23 11  1  0  0  0  0
 24 12  1  0  0  0  0
 25 20  1  0  0  0  0
 26 22  2  0  0  0  0
 27 22  1  0  0  0  0
 28 26  1  0  0  0  0
 29 27  2  0  0  0  0
 30 29  1  0  0  0  0
 12  4  2  0  0  0  0
 20 13  1  0  0  0  0
 30 28  2  0  0  0  0
M  END
>  <Mol_ID> (1,349)
1349

>  <Formula> (1,349)
C23H24N2O4S

>  <MolWeight> (1,349)
424.51266

>  <COMPOUND_NAME> (1,349)
WAY-341352

>  <BAR_CODE_NO> (1,349)
2551863

$$$$
WAY-341375
csChFnd80/06171916322D

 34 37  0  0  0  0  0  0  0  0999 V2000
    8.3375   -9.2917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.5667   -7.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3417   -8.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7167   -7.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8917   -8.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9750   -6.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3292   -8.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0167   -8.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5167   -5.2917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.5500   -8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7917  -10.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3417   -9.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8417   -6.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2917   -7.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7625   -9.3167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1542   -9.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6167   -3.2917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3542   -9.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3667   -9.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4125  -10.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -10.2917    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.3792  -10.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3542   -8.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3875   -9.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4125  -11.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9375   -4.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6625   -5.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4250  -11.1042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1292   -7.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3375   -7.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4667   -3.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2042   -4.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9542   -8.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4292  -10.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  8  1  0  0  0  0
  3  4  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6 13  1  0  0  0  0
  7  1  1  0  0  0  0
  8  5  2  0  0  0  0
  9  6  1  0  0  0  0
 10  3  1  0  0  0  0
 11  1  2  0  0  0  0
 12  1  2  0  0  0  0
 13 14  2  0  0  0  0
 14  5  1  0  0  0  0
 15  3  2  0  0  0  0
 16 10  2  0  0  0  0
 17 32  1  0  0  0  0
 18  7  1  0  0  0  0
 19 16  1  0  0  0  0
 20 24  1  0  0  0  0
 21 19  1  0  0  0  0
 22 18  2  0  0  0  0
 23 18  1  0  0  0  0
 24 23  2  0  0  0  0
 25 22  1  0  0  0  0
 26  9  1  0  0  0  0
 27  9  1  0  0  0  0
 28 20  1  0  0  0  0
 29 10  1  0  0  0  0
 30 29  2  0  0  0  0
 31 26  1  0  0  0  0
 32 27  1  0  0  0  0
 33 30  1  0  0  0  0
 34 28  1  0  0  0  0
 25 20  2  0  0  0  0
  6  2  2  0  0  0  0
 31 17  1  0  0  0  0
 33 19  2  0  0  0  0
M  END
>  <Mol_ID> (1,350)
1350

>  <Formula> (1,350)
C24H24FN3O5S

>  <MolWeight> (1,350)
485.5278632

>  <COMPOUND_NAME> (1,350)
WAY-341375

>  <BAR_CODE_NO> (1,350)
2551987

$$$$
WAY-341402
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
    5.3292   -4.1167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5542   -3.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7250   -4.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2250   -3.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6417   -4.3042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1167   -2.8917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2792   -5.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4375   -4.7417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7792   -5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5292   -5.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8792   -6.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6125   -5.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1875   -2.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5000   -2.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9292   -4.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6250   -6.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3792   -6.0417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0250   -5.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4750   -6.7500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.6792   -4.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7792   -5.5417    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.0042   -5.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6875   -1.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3125   -1.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8167   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5042   -1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  2  0  0  0  0
  8  3  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12  5  2  0  0  0  0
 13  4  1  0  0  0  0
 14  6  1  0  0  0  0
 15 10  2  0  0  0  0
 16 11  2  0  0  0  0
 17  9  2  0  0  0  0
 18 20  2  0  0  0  0
 19 11  1  0  0  0  0
 20 15  1  0  0  0  0
 21 18  1  0  0  0  0
 22 12  1  0  0  0  0
 23 13  1  0  0  0  0
 24 14  1  0  0  0  0
 25 24  2  0  0  0  0
 26 23  2  0  0  0  0
  7 12  1  0  0  0  0
 13 14  2  0  0  0  0
 25 26  1  0  0  0  0
 18 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,351)
1351

>  <Formula> (1,351)
C18H13F2N5O

>  <MolWeight> (1,351)
353.3255264

>  <COMPOUND_NAME> (1,351)
WAY-341402

>  <BAR_CODE_NO> (1,351)
2552378

$$$$
WAY-341444
csChFnd80/06171916322D

 28 30  0  0  0  0  0  0  0  0999 V2000
    6.2417  -10.3417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.8167  -11.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6792   -9.3542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2292  -13.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2750  -13.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7875  -14.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9500  -11.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2292   -9.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2542  -10.9125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9875  -14.0875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.6542  -12.3167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5167  -12.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2500  -12.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4125  -15.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5042  -15.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7125  -14.2042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5417  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2417   -8.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8167  -13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9542  -13.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3792   -6.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3792   -8.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6792   -7.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2417   -6.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9500   -7.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9292   -5.4167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1042  -12.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3542   -4.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4 11  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  2  2  0  0  0  0
  8  1  2  0  0  0  0
  9  1  2  0  0  0  0
 10  6  1  0  0  0  0
 11 12  1  0  0  0  0
 12  7  1  0  0  0  0
 13  2  1  0  0  0  0
 14 10  1  0  0  0  0
 15  6  2  0  0  0  0
 16  4  2  0  0  0  0
 17 15  1  0  0  0  0
 18  3  1  0  0  0  0
 19 13  2  0  0  0  0
 20 19  1  0  0  0  0
 21 24  1  0  0  0  0
 22 18  2  0  0  0  0
 23 18  1  0  0  0  0
 24 23  2  0  0  0  0
 25 22  1  0  0  0  0
 26 21  1  0  0  0  0
 27 13  1  0  0  0  0
 28 26  1  0  0  0  0
 21 25  2  0  0  0  0
 12 20  2  0  0  0  0
 14 17  2  0  0  0  0
M  END
>  <Mol_ID> (1,352)
1352

>  <Formula> (1,352)
C20H20N2O4S2

>  <MolWeight> (1,352)
416.5138

>  <COMPOUND_NAME> (1,352)
WAY-341444

>  <BAR_CODE_NO> (1,352)
2551378

$$$$
WAY-341494
csChFnd80/06171916322D

 29 31  0  0  0  0  0  0  0  0999 V2000
    8.1667   -5.8417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.1667   -6.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7292   -6.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1792   -5.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1417   -8.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3167   -9.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1667   -9.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1667   -5.2750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6042   -4.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8667   -6.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8917  -10.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5667   -7.8542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.6500   -8.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4292   -7.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1917   -6.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5667   -9.8542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5792  -10.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3042  -11.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.6292    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.1875   -7.5167    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.1542  -11.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9792  -12.9542    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.1500   -7.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2042   -4.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7042   -8.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8417   -8.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2125   -5.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2167   -4.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2250   -4.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5 12  1  0  0  0  0
  6  7  2  0  0  0  0
  7 13  1  0  0  0  0
  8  1  2  0  0  0  0
  9  1  2  0  0  0  0
 10  3  2  0  0  0  0
 11  6  1  0  0  0  0
 12 14  1  0  0  0  0
 13  5  1  0  0  0  0
 14 10  1  0  0  0  0
 15  4  1  0  0  0  0
 16  5  2  0  0  0  0
 17  7  1  0  0  0  0
 18 21  1  0  0  0  0
 19  6  1  0  0  0  0
 20 15  1  0  0  0  0
 21 17  2  0  0  0  0
 22 18  1  0  0  0  0
 23  3  1  0  0  0  0
 24  4  2  0  0  0  0
 25 23  2  0  0  0  0
 26 25  1  0  0  0  0
 27 15  2  0  0  0  0
 28 24  1  0  0  0  0
 29 28  2  0  0  0  0
 26 14  2  0  0  0  0
 27 29  1  0  0  0  0
 18 11  2  0  0  0  0
M  END
>  <Mol_ID> (1,353)
1353

>  <Formula> (1,353)
C20H15Cl2FN2O3S

>  <MolWeight> (1,353)
453.3141032

>  <COMPOUND_NAME> (1,353)
WAY-341494

>  <BAR_CODE_NO> (1,353)
2551436

$$$$
WAY-341519
csChFnd80/06171916322D

 20 21  0  0  0  0  0  0  0  0999 V2000
    6.5875   -4.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6667   -4.8542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0042   -5.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3292   -4.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4042   -4.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0917   -3.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3167   -0.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -1.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4667   -2.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9625   -2.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2667   -3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7792   -2.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6417   -0.0667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6250   -1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1167   -2.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4917   -0.9250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6292   -3.6792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5417   -5.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8792   -3.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8125   -3.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  2  0  0  0  0
  3  4  1  0  0  0  0
  4  1  2  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  8  1  0  0  0  0
  8 14  2  0  0  0  0
  9 10  2  0  0  0  0
 10 12  1  0  0  0  0
 11  6  1  0  0  0  0
 12 11  1  0  0  0  0
 13  7  2  0  0  0  0
 14 15  1  0  0  0  0
 15 12  2  0  0  0  0
 16  7  1  0  0  0  0
 17 10  1  0  0  0  0
 18  4  1  0  0  0  0
 19  5  1  0  0  0  0
 20 17  1  0  0  0  0
  3  2  1  0  0  0  0
  9  8  1  0  0  0  0
M  END
>  <Mol_ID> (1,354)
1354

>  <Formula> (1,354)
C14H15NO5

>  <MolWeight> (1,354)
277.2726

>  <COMPOUND_NAME> (1,354)
WAY-341519

>  <BAR_CODE_NO> (1,354)
2551567

$$$$
WAY-341557
csChFnd80/06171916322D

 24 25  0  0  0  0  0  0  0  0999 V2000
   12.4167   -8.7750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8667   -7.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1167   -3.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5042   -4.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5292   -2.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1042   -5.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5917   -8.7792    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.6667   -7.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8917   -6.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4167   -6.7542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2917   -5.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2042   -9.8167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.0792   -6.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1375   -1.5750    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.3292   -2.5917    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.5042   -6.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3125   -4.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1792   -7.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6542  -10.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4167   -9.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3125   -6.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7167   -5.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3792   -7.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  6  1  0  0  0  0
  5  3  1  0  0  0  0
  6 11  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9 13  1  0  0  0  0
 10  2  2  0  0  0  0
 11  9  2  0  0  0  0
 12  7  1  0  0  0  0
 13  8  1  0  0  0  0
 14  5  1  0  0  0  0
 15  5  1  0  0  0  0
 16  6  2  0  0  0  0
 17  4  2  0  0  0  0
 18  7  1  0  0  0  0
 19 12  1  0  0  0  0
 20 12  1  0  0  0  0
 21 16  1  0  0  0  0
 22 21  2  0  0  0  0
 23 18  1  0  0  0  0
 24 23  1  0  0  0  0
 24 20  1  0  0  0  0
 17 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,355)
1355

>  <Formula> (1,355)
C17H22F2N2O3

>  <MolWeight> (1,355)
340.3649864

>  <COMPOUND_NAME> (1,355)
WAY-341557

>  <BAR_CODE_NO> (1,355)
2551502

$$$$
WAY-341563
csChFnd80/06171916322D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -0.5125    0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000   -0.6417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7875    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7875   -0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458    1.4833    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.3125    0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2958    2.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2750    2.4583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0625    1.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5083    0.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5083   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7250   -0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7167    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0375    2.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1000    1.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2208    0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2208   -0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5417    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958    3.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6500    2.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5500   -0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9625    0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3958    3.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  6  1  0  0  0  0
  9 10  1  0  0  0  0
 10  6  1  0  0  0  0
 11  4  2  0  0  0  0
 12  5  2  0  0  0  0
 13  7  2  0  0  0  0
 14  7  1  0  0  0  0
 15  8  2  0  0  0  0
 16  8  1  0  0  0  0
 17 11  1  0  0  0  0
 18 12  1  0  0  0  0
 19 14  2  0  0  0  0
 20 15  1  0  0  0  0
 21 16  2  0  0  0  0
 22 13  1  0  0  0  0
 23 19  1  0  0  0  0
 24 21  1  0  0  0  0
  4  5  1  0  0  0  0
 22 23  2  0  0  0  0
 17 18  2  0  0  0  0
 20 24  2  0  0  0  0
M  END
>  <Mol_ID> (1,356)
1356

>  <Formula> (1,356)
C22H20N2

>  <MolWeight> (1,356)
312.4076

>  <COMPOUND_NAME> (1,356)
WAY-341563

>  <BAR_CODE_NO> (1,356)
2551487

$$$$
WAY-341569
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
    9.6292   -6.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0625   -6.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9667   -5.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8667   -7.7542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5417   -5.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7167   -7.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1667   -4.1292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4417   -7.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7875   -6.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8792   -3.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8292   -5.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7292   -4.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1375   -7.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4542   -3.8917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8000   -9.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6417   -2.7542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2167   -9.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9375   -2.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3542   -6.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6667   -8.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3292   -6.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9167   -6.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9042  -10.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3542   -2.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5917   -7.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500   -8.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  3  2  0  0  0  0
  6  2  2  0  0  0  0
  7 12  1  0  0  0  0
  8  4  1  0  0  0  0
  9  8  1  0  0  0  0
 10  5  1  0  0  0  0
 11  2  1  0  0  0  0
 12  3  1  0  0  0  0
 13  6  1  0  0  0  0
 14 10  2  0  0  0  0
 15 13  2  0  0  0  0
 16 10  1  0  0  0  0
 17 15  1  0  0  0  0
 18  7  1  0  0  0  0
 19  9  2  0  0  0  0
 20  8  2  0  0  0  0
 21 22  2  0  0  0  0
 22 13  1  0  0  0  0
 23 21  1  0  0  0  0
 24 17  1  0  0  0  0
 25 18  1  0  0  0  0
 26 27  2  0  0  0  0
 27 20  1  0  0  0  0
  7 11  1  0  0  0  0
  5  9  1  0  0  0  0
 26 19  1  0  0  0  0
 17 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,357)
1357

>  <Formula> (1,357)
C23H22N2O2

>  <MolWeight> (1,357)
358.43298

>  <COMPOUND_NAME> (1,357)
WAY-341569

>  <BAR_CODE_NO> (1,357)
2551515

$$$$
WAY-341610
csChFnd80/06171916322D

 25 26  0  0  0  0  0  0  0  0999 V2000
   12.6167   -7.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1792   -8.2667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.1875   -4.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0542   -6.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3000   -8.2667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.3042   -4.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9292   -6.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2417   -5.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6250   -5.3667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6042   -5.3667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8667   -3.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8667   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8625   -9.2417    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.6875   -4.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3667   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5625   -4.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6250   -3.4167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000   -3.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6167   -9.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1792  -10.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8542   -7.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3042  -10.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -9.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875   -2.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  6  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6 12  1  0  0  0  0
  7  4  1  0  0  0  0
  8 15  1  0  0  0  0
  9  3  2  0  0  0  0
 10  4  2  0  0  0  0
 11 18  1  0  0  0  0
 12 19  2  0  0  0  0
 13  5  1  0  0  0  0
 14  8  2  0  0  0  0
 15  7  1  0  0  0  0
 16 14  1  0  0  0  0
 17  3  1  0  0  0  0
 18 16  2  0  0  0  0
 19 16  1  0  0  0  0
 20  2  1  0  0  0  0
 21 20  1  0  0  0  0
 22  5  1  0  0  0  0
 23 21  1  0  0  0  0
 24 13  1  0  0  0  0
 25 17  1  0  0  0  0
 23 13  1  0  0  0  0
  6 11  2  0  0  0  0
M  END
>  <Mol_ID> (1,358)
1358

>  <Formula> (1,358)
C19H26N2O4

>  <MolWeight> (1,358)
346.42074

>  <COMPOUND_NAME> (1,358)
WAY-341610

>  <BAR_CODE_NO> (1,358)
2551601

$$$$
WAY-341643
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
    8.4542   -9.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1417   -7.9375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1417  -10.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5042  -10.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0875   -9.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4125   -7.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5125   -7.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1917   -9.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2042  -11.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0417   -7.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -12.6750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2500   -6.7917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.6292  -12.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9417   -7.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2167   -9.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5167  -12.6917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9375   -8.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5750  -11.5125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4500  -11.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3875  -10.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2542  -12.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5625   -9.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0667  -11.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2000   -6.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2500   -7.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5667   -6.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  1  1  0  0  0  0
  6  5  2  0  0  0  0
  7  2  1  0  0  0  0
  8  4  1  0  0  0  0
  9  4  1  0  0  0  0
 10  6  1  0  0  0  0
 11 13  3  0  0  0  0
 12 10  1  0  0  0  0
 13 21  1  0  0  0  0
 14 12  1  0  0  0  0
 15 10  2  0  0  0  0
 16  9  2  0  0  0  0
 17 15  1  0  0  0  0
 18  9  1  0  0  0  0
 19  3  1  0  0  0  0
 20  5  1  0  0  0  0
 21 18  1  0  0  0  0
 22  8  2  0  0  0  0
 23 20  1  0  0  0  0
 24  7  2  0  0  0  0
 25 22  1  0  0  0  0
 26 24  1  0  0  0  0
 23 19  1  0  0  0  0
  8  7  1  0  0  0  0
 25 26  2  0  0  0  0
 14 17  2  0  0  0  0
M  END
>  <Mol_ID> (1,359)
1359

>  <Formula> (1,359)
C21H16N2O2S

>  <MolWeight> (1,359)
360.42894

>  <COMPOUND_NAME> (1,359)
WAY-341643

>  <BAR_CODE_NO> (1,359)
2551585

$$$$
WAY-341659
csChFnd80/06171916322D

 30 34  0  0  0  0  0  0  0  0999 V2000
    5.9167   -3.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4125   -3.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0875   -3.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1917   -3.4792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6000   -3.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6000   -4.5542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1542   -2.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4042   -4.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1917   -4.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6542   -0.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4667   -1.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0917   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8125   -3.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8125   -4.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7167   -1.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3417   -2.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4000   -0.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2792   -1.2917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0250   -0.4167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2292   -5.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8042   -4.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1000   -3.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1000   -4.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5917    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7250   -1.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7667    0.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8417   -5.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6292   -5.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792   -3.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792   -4.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  2  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8  1  1  0  0  0  0
  9  8  2  0  0  0  0
 10 12  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  2  0  0  0  0
 13  5  1  0  0  0  0
 14  6  1  0  0  0  0
 15  7  2  0  0  0  0
 16  7  1  0  0  0  0
 17 10  1  0  0  0  0
 18 12  1  0  0  0  0
 19 11  1  0  0  0  0
 20  8  1  0  0  0  0
 21  9  1  0  0  0  0
 22 13  2  0  0  0  0
 23 14  2  0  0  0  0
 24 17  1  0  0  0  0
 25 18  1  0  0  0  0
 26 19  1  0  0  0  0
 27 20  2  0  0  0  0
 28 27  1  0  0  0  0
 29 22  1  0  0  0  0
 30 23  1  0  0  0  0
  9  4  1  0  0  0  0
 13 14  1  0  0  0  0
 28 21  2  0  0  0  0
 11 10  2  0  0  0  0
 29 30  2  0  0  0  0
M  END
>  <Mol_ID> (1,360)
1360

>  <Formula> (1,360)
C24H21N3O3

>  <MolWeight> (1,360)
399.44184

>  <COMPOUND_NAME> (1,360)
WAY-341659

>  <BAR_CODE_NO> (1,360)
2551723

$$$$
WAY-341684
csChFnd80/06171916322D

 30 32  0  0  0  0  0  0  0  0999 V2000
    7.8000   -3.7167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.3792   -4.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2167   -2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6792   -6.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4542   -4.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1417   -5.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7167   -3.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8750   -4.2917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8750   -5.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7042   -6.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0625   -5.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1750   -7.2917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1375   -2.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4542   -6.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2042   -5.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2792   -7.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5417   -6.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9292   -6.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9667   -2.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3500   -7.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3500   -5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.3250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.7792   -5.6417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6375   -3.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5542   -1.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4667   -1.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5542   -3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8667   -2.9625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2792   -6.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2875   -2.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  6  1  0  0  0  0
  5  2  2  0  0  0  0
  6 11  1  0  0  0  0
  7  1  2  0  0  0  0
  8  1  2  0  0  0  0
  9  2  1  0  0  0  0
 10  4  1  0  0  0  0
 11  5  1  0  0  0  0
 12  4  2  0  0  0  0
 13  3  1  0  0  0  0
 14  9  2  0  0  0  0
 15 10  1  0  0  0  0
 16 10  2  0  0  0  0
 17 14  1  0  0  0  0
 18 20  2  0  0  0  0
 19 26  1  0  0  0  0
 20 16  1  0  0  0  0
 21 15  2  0  0  0  0
 22 18  1  0  0  0  0
 23  9  1  0  0  0  0
 24 13  2  0  0  0  0
 25 13  1  0  0  0  0
 26 25  2  0  0  0  0
 27 24  1  0  0  0  0
 28 19  1  0  0  0  0
 29 23  1  0  0  0  0
 30 28  1  0  0  0  0
 27 19  2  0  0  0  0
 11 17  2  0  0  0  0
 21 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,361)
1361

>  <Formula> (1,361)
C21H19FN2O5S

>  <MolWeight> (1,361)
430.4493632

>  <COMPOUND_NAME> (1,361)
WAY-341684

>  <BAR_CODE_NO> (1,361)
2551685

$$$$
WAY-341700
csChFnd80/06171916322D

 28 32  0  0  0  0  0  0  0  0999 V2000
    5.5167   -3.1542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8167   -3.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8375   -4.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9667   -3.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5500   -4.3542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2750   -5.0250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8417   -4.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2917   -3.8125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7292   -2.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9917   -4.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0042   -4.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7167   -3.7542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.4625   -2.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6667   -1.5292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1417   -3.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0792   -2.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4250   -1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0917   -4.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6792   -2.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6292   -5.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6542   -3.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5167   -3.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0875   -2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2792   -4.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3042   -4.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4167   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8500   -3.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7917   -2.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  7  2  0  0  0  0
  7 18  1  0  0  0  0
  8  7  1  0  0  0  0
  9  1  1  0  0  0  0
 10  6  1  0  0  0  0
 11  8  1  0  0  0  0
 12  4  1  0  0  0  0
 13  9  1  0  0  0  0
 14 13  1  0  0  0  0
 15  2  1  0  0  0  0
 16 13  2  0  0  0  0
 17 14  1  0  0  0  0
 18 12  1  0  0  0  0
 19 16  1  0  0  0  0
 20 10  2  0  0  0  0
 21 11  2  0  0  0  0
 22 15  2  0  0  0  0
 23 15  1  0  0  0  0
 24 20  1  0  0  0  0
 25 21  1  0  0  0  0
 26 23  2  0  0  0  0
 27 22  1  0  0  0  0
 28 26  1  0  0  0  0
  5  3  1  0  0  0  0
 17 19  2  0  0  0  0
 27 28  2  0  0  0  0
 10 11  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (1,362)
1362

>  <Formula> (1,362)
C21H17N5OS

>  <MolWeight> (1,362)
387.45758

>  <COMPOUND_NAME> (1,362)
WAY-341700

>  <BAR_CODE_NO> (1,362)
2551817

$$$$
WAY-341701
csChFnd80/06171916322D

 29 33  0  0  0  0  0  0  0  0999 V2000
    5.9750   -3.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2750   -3.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2917   -4.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4292   -3.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0125   -4.4250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7417   -5.0792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3042   -4.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7542   -3.8667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1792   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4542   -4.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4625   -4.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1792   -3.8167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5917   -3.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9125   -2.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1167   -1.5917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5292   -2.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8750   -1.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5542   -4.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1292   -2.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9792   -3.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5417   -2.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8667   -2.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3042   -3.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2417   -2.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1000   -5.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1167   -3.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5667   -2.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7500   -4.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7625   -4.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  7  2  0  0  0  0
  7 18  1  0  0  0  0
  8  7  1  0  0  0  0
  9  1  1  0  0  0  0
 10  6  1  0  0  0  0
 11  8  1  0  0  0  0
 12  4  1  0  0  0  0
 13  2  1  0  0  0  0
 14  9  1  0  0  0  0
 15 14  1  0  0  0  0
 16 14  2  0  0  0  0
 17 15  1  0  0  0  0
 18 12  1  0  0  0  0
 19 16  1  0  0  0  0
 20 13  2  0  0  0  0
 21 13  1  0  0  0  0
 22 21  2  0  0  0  0
 23 20  1  0  0  0  0
 24 22  1  0  0  0  0
 25 10  2  0  0  0  0
 26 11  2  0  0  0  0
 27 24  1  0  0  0  0
 28 25  1  0  0  0  0
 29 26  1  0  0  0  0
  5  3  1  0  0  0  0
 17 19  2  0  0  0  0
 23 24  2  0  0  0  0
 10 11  1  0  0  0  0
 28 29  2  0  0  0  0
M  END
>  <Mol_ID> (1,363)
1363

>  <Formula> (1,363)
C22H19N5OS

>  <MolWeight> (1,363)
401.48416

>  <COMPOUND_NAME> (1,363)
WAY-341701

>  <BAR_CODE_NO> (1,363)
2551818

$$$$
WAY-341811
csChFnd80/06171916322D

 28 30  0  0  0  0  0  0  0  0999 V2000
   11.4792   -9.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6792   -9.7250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3542  -11.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8125   -8.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3167   -6.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4292   -4.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3292   -3.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7375   -6.6125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4000   -8.1167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4292  -12.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1167   -6.5667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0042   -8.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4417   -1.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6417   -1.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0458   -0.2875    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.4042   -8.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1542  -11.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4500    1.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6167  -12.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2917  -14.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3417   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2167   -8.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1000   -9.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6917  -14.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3625  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5667  -15.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5 11  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  4  2  0  0  0  0
  9  5  2  0  0  0  0
 10  3  1  0  0  0  0
 11 12  1  0  0  0  0
 12  4  1  0  0  0  0
 13  7  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17  1  1  0  0  0  0
 18  3  1  0  0  0  0
 19 22  1  0  0  0  0
 20 10  2  0  0  0  0
 21 10  1  0  0  0  0
 22 13  2  0  0  0  0
 23 19  2  0  0  0  0
 24 17  2  0  0  0  0
 25 24  1  0  0  0  0
 26 20  1  0  0  0  0
 27 21  2  0  0  0  0
 28 27  1  0  0  0  0
 25 18  2  0  0  0  0
 28 26  2  0  0  0  0
 23 15  1  0  0  0  0
M  END
>  <Mol_ID> (1,364)
1364

>  <Formula> (1,364)
C23H18FNO3

>  <MolWeight> (1,364)
375.3923232

>  <COMPOUND_NAME> (1,364)
WAY-341811

>  <BAR_CODE_NO> (1,364)
2551807

$$$$
WAY-341845
csChFnd80/06171916322D

 28 30  0  0  0  0  0  0  0  0999 V2000
   11.6500   -7.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4792   -7.9667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7375   -9.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000   -6.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0292   -4.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9625   -2.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9875   -0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4792   -4.2250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9917   -6.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6542  -11.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1292   -4.2417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9250    1.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2292   -6.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333    5.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8500    7.8417    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.4500    1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2292    3.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6708    3.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9375    5.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7250   -6.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9042   -9.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4750  -11.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7292  -13.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9000   -6.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4042  -13.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6417  -15.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4875  -15.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5 11  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  4  2  0  0  0  0
  9  5  2  0  0  0  0
 10  3  1  0  0  0  0
 11 13  1  0  0  0  0
 12  7  1  0  0  0  0
 13  4  1  0  0  0  0
 14 19  1  0  0  0  0
 15 14  1  0  0  0  0
 16 12  2  0  0  0  0
 17 12  1  0  0  0  0
 18 16  1  0  0  0  0
 19 17  2  0  0  0  0
 20  1  1  0  0  0  0
 21  3  1  0  0  0  0
 22 10  2  0  0  0  0
 23 10  1  0  0  0  0
 24 20  2  0  0  0  0
 25 24  1  0  0  0  0
 26 22  1  0  0  0  0
 27 23  2  0  0  0  0
 28 27  1  0  0  0  0
 25 21  2  0  0  0  0
 28 26  2  0  0  0  0
 14 18  2  0  0  0  0
M  END
>  <Mol_ID> (1,365)
1365

>  <Formula> (1,365)
C23H18ClNO3

>  <MolWeight> (1,365)
391.84692

>  <COMPOUND_NAME> (1,365)
WAY-341845

>  <BAR_CODE_NO> (1,365)
2551896

$$$$
WAY-342194
csChFnd80/06171916322D

 19 20  0  0  0  0  0  0  0  0999 V2000
    4.4542   -1.9542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7167   -3.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4292   -3.6167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7292   -2.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9917   -3.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4667   -1.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1417   -3.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8625   -3.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2792   -4.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1667   -2.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5792   -3.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8500   -4.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2917   -3.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5625   -4.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1917   -0.7250    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.8750   -1.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8792   -1.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0000   -4.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2167    0.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  2  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  7  1  0  0  0  0
  9 14  2  0  0  0  0
 10  1  1  0  0  0  0
 11  8  1  0  0  0  0
 12  8  2  0  0  0  0
 13 11  2  0  0  0  0
 14 12  1  0  0  0  0
 15  6  1  0  0  0  0
 16 10  1  0  0  0  0
 17 16  1  0  0  0  0
 18  9  1  0  0  0  0
 19 15  1  0  0  0  0
 17 15  1  0  0  0  0
 13  9  1  0  0  0  0
M  END
>  <Mol_ID> (1,366)
1366

>  <Formula> (1,366)
C16H24N2O

>  <MolWeight> (1,366)
260.37456

>  <COMPOUND_NAME> (1,366)
WAY-342194

>  <BAR_CODE_NO> (1,366)
2552355

$$$$
WAY-342197
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
    3.6792   -0.9542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1125   -0.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9542   -2.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1125   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8250   -1.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5417   -0.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5417   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8250    0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4000   -1.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750   -2.6042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9625   -1.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2417   -2.6042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4000    0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6792   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750   -3.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2625   -1.3667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2625    0.2958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750   -5.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9625   -3.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3917   -3.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9625   -4.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3917   -4.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6667   -5.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9792   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9750   -0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  9  1  0  0  0  0
  3 11  1  0  0  0  0
  4 13  1  0  0  0  0
  5  2  1  0  0  0  0
  6  5  2  0  0  0  0
  7  8  2  0  0  0  0
  8  4  1  0  0  0  0
  9  1  1  0  0  0  0
 10  3  1  0  0  0  0
 11  1  1  0  0  0  0
 12  3  2  0  0  0  0
 13 14  1  0  0  0  0
 14  1  1  0  0  0  0
 15 10  1  0  0  0  0
 16  6  1  0  0  0  0
 17  7  1  0  0  0  0
 18 22  1  0  0  0  0
 19 15  2  0  0  0  0
 20 15  1  0  0  0  0
 21 19  1  0  0  0  0
 22 20  2  0  0  0  0
 23 18  1  0  0  0  0
 24 17  1  0  0  0  0
 25 16  1  0  0  0  0
  2  4  2  0  0  0  0
  6  7  1  0  0  0  0
 21 18  2  0  0  0  0
M  END
>  <Mol_ID> (1,367)
1367

>  <Formula> (1,367)
C20H24N2O3

>  <MolWeight> (1,367)
340.41616

>  <COMPOUND_NAME> (1,367)
WAY-342197

>  <BAR_CODE_NO> (1,367)
2552362

$$$$
WAY-342235
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
   10.1292   -5.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0292   -5.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7917   -6.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9917   -6.6125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0792   -7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0917   -4.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9500   -6.1167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.2500   -3.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3250   -2.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6750   -7.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5167   -4.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5167   -7.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2500   -8.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4750   -1.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6417   -9.1417    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.3167   -3.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4667   -2.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2667   -6.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2750   -3.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5500   -1.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4125   -8.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5542   -1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4292   -6.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3542   -2.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4917   -1.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  2  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10 12  1  0  0  0  0
 11  1  1  0  0  0  0
 12  7  1  0  0  0  0
 13 10  2  0  0  0  0
 14  9  1  0  0  0  0
 15 13  1  0  0  0  0
 16  8  2  0  0  0  0
 17 16  1  0  0  0  0
 18 10  1  0  0  0  0
 19  9  2  0  0  0  0
 20 17  2  0  0  0  0
 21 13  1  0  0  0  0
 22 14  2  0  0  0  0
 23 18  2  0  0  0  0
 24 19  1  0  0  0  0
 25 23  1  0  0  0  0
 26 24  2  0  0  0  0
  4  5  1  0  0  0  0
 20 14  1  0  0  0  0
 21 25  2  0  0  0  0
 26 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,368)
1368

>  <Formula> (1,368)
C20H17ClN4S

>  <MolWeight> (1,368)
380.89378

>  <COMPOUND_NAME> (1,368)
WAY-342235

>  <BAR_CODE_NO> (1,368)
2552291

$$$$
WL-109943
csChFnd80/06171916322D

 17 19  0  0  0  0  0  0  0  0999 V2000
    0.7138   -1.3404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7138   -1.3404    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5552   -0.1887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1552   -2.7059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5552   -0.1887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1552   -2.7059    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9828   -0.3369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9724    1.1182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.5473    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9724    1.1182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9828   -0.3369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8207    0.8182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8172    2.2803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8172    2.2803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8207    0.8182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2414    2.1286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2414    2.1286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
 10 14  2  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 14 17  1  0  0  0  0
  6  9  2  0  0  0  0
 13 16  2  0  0  0  0
 15 17  2  0  0  0  0
M  END
>  <Mol_ID> (1,369)
1369

>  <Formula> (1,369)
C14H11N3

>  <MolWeight> (1,369)
221.25724

>  <COMPOUND_NAME> (1,369)
WL-109943

>  <BAR_CODE_NO> (1,369)
3913715

$$$$
WL-152815
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.3531    0.2444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3497    1.0616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0635   -0.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3538   -0.1694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0600    1.4754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572    1.4685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0669   -0.9832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7738    0.2513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3503   -0.9866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0566    2.2961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3607    2.2892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3600   -1.3970    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7807   -1.3901    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4807    0.6582    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0572   -1.4004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3428    2.7030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7710   -0.9935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0572   -2.2211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3393    3.5237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4779   -1.4073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7641   -2.6349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4779   -2.2246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  3  0  0  0  0
  9 15  1  0  0  0  0
 10 16  2  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  2  0  0  0  0
 18 21  1  0  0  0  0
 20 22  1  0  0  0  0
  9 12  1  0  0  0  0
 11 16  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,370)
1370

>  <Formula> (1,370)
C19H14N2S

>  <MolWeight> (1,370)
302.39286

>  <COMPOUND_NAME> (1,370)
WL-152815

>  <BAR_CODE_NO> (1,370)
3913338

$$$$
WAY-345620
csChFnd80/06171916322D

 28 30  0  0  0  0  0  0  0  0999 V2000
   11.1167   -9.2667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.2667   -7.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8000   -6.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1667   -6.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7375   -9.2125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6292   -7.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3167   -5.1542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0500   -6.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5792   -5.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2042   -5.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9500   -1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4167   -9.7625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5792  -10.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3750   -7.9875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7625   -5.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1125   -3.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6917   -2.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125    0.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9292   -3.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2792   -2.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -9.1042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6042  -10.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5000   -7.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4500   -1.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6917   -6.4042    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.7250   -3.6875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   15.1375   -7.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2250  -10.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  6  1  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  2  0  0  0  0
  7  4  1  0  0  0  0
  8  2  1  0  0  0  0
  9 10  1  0  0  0  0
 10  8  2  0  0  0  0
 11 17  1  0  0  0  0
 12  1  2  0  0  0  0
 13  1  2  0  0  0  0
 14  4  2  0  0  0  0
 15  7  1  0  0  0  0
 16  7  1  0  0  0  0
 17 20  1  0  0  0  0
 18 11  2  0  0  0  0
 19 15  1  0  0  0  0
 20 16  1  0  0  0  0
 21 27  1  0  0  0  0
 22  5  1  0  0  0  0
 23  5  1  0  0  0  0
 24 11  1  0  0  0  0
 25  8  1  0  0  0  0
 26  9  1  0  0  0  0
 27 23  1  0  0  0  0
 28 22  1  0  0  0  0
 21 28  1  0  0  0  0
  9  3  2  0  0  0  0
 19 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,371)
1371

>  <Formula> (1,371)
C17H21Cl2N3O5S

>  <MolWeight> (1,371)
450.33674

>  <COMPOUND_NAME> (1,371)
WAY-345620

>  <BAR_CODE_NO> (1,371)
2555994

$$$$
WAY-345669
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
    8.1542   -5.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7042   -3.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6167   -4.6542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9667   -5.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6917   -4.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7875   -6.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6917   -2.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8000   -7.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4167   -8.7625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5417  -11.9625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6417   -3.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1042  -10.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9792   -6.7542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5917   -7.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2167   -7.8292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3542   -6.7042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6167   -8.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6417   -2.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6167   -2.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6667   -9.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1917   -6.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8667   -9.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7167   -2.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1750   -7.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2417   -9.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6167   -0.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6917   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4417   -9.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3667   -7.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6375   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8 14  1  0  0  0  0
  9  8  1  0  0  0  0
 10 12  3  0  0  0  0
 11  5  1  0  0  0  0
 12 20  1  0  0  0  0
 13  6  1  0  0  0  0
 14 13  1  0  0  0  0
 15  6  2  0  0  0  0
 16  8  2  0  0  0  0
 17  9  1  0  0  0  0
 18  7  1  0  0  0  0
 19 11  2  0  0  0  0
 20 22  1  0  0  0  0
 21  4  1  0  0  0  0
 22  9  1  0  0  0  0
 23  7  2  0  0  0  0
 24 17  2  0  0  0  0
 25 17  1  0  0  0  0
 26 18  2  0  0  0  0
 27 23  1  0  0  0  0
 28 25  2  0  0  0  0
 29 24  1  0  0  0  0
 30 27  2  0  0  0  0
 31 28  1  0  0  0  0
  2  5  2  0  0  0  0
 18 19  1  0  0  0  0
 30 26  1  0  0  0  0
 29 31  2  0  0  0  0
M  END
>  <Mol_ID> (1,372)
1372

>  <Formula> (1,372)
C25H20N2O4

>  <MolWeight> (1,372)
412.4373

>  <COMPOUND_NAME> (1,372)
WAY-345669

>  <BAR_CODE_NO> (1,372)
2555873

$$$$
WAY-345686
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
    5.3125   -8.9792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5625   -5.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6042   -7.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8542   -5.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3167   -7.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3167  -11.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3917   -3.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4083   -1.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2667  -15.9542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3000  -11.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3000  -12.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3042  -12.4667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.2750  -14.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0958   -1.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5583    0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667   -3.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5625   -3.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5625   -1.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2792  -14.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8583    0.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4083    2.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167   -7.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8958    4.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9542    2.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5958    4.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4542   -8.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9917    6.5292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3042  -11.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2542  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3000  -12.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2750  -14.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  1  1  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6 12  1  0  0  0  0
  7  2  1  0  0  0  0
  8 14  1  0  0  0  0
  9 19  1  0  0  0  0
 10  1  1  0  0  0  0
 11  6  1  0  0  0  0
 12 10  1  0  0  0  0
 13  9  1  0  0  0  0
 14 16  1  0  0  0  0
 15  8  1  0  0  0  0
 16  7  1  0  0  0  0
 17  8  2  0  0  0  0
 18  7  2  0  0  0  0
 19 12  1  0  0  0  0
 20 15  2  0  0  0  0
 21 15  1  0  0  0  0
 22  3  1  0  0  0  0
 23 25  1  0  0  0  0
 24 20  1  0  0  0  0
 25 21  2  0  0  0  0
 26  5  1  0  0  0  0
 27 23  1  0  0  0  0
 28 11  1  0  0  0  0
 29 13  1  0  0  0  0
 30 28  2  0  0  0  0
 31 29  2  0  0  0  0
  4  2  1  0  0  0  0
 11 13  2  0  0  0  0
 31 30  1  0  0  0  0
 24 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,373)
1373

>  <Formula> (1,373)
C24H23NO6

>  <MolWeight> (1,373)
421.44252

>  <COMPOUND_NAME> (1,373)
WAY-345686

>  <BAR_CODE_NO> (1,373)
2555913

$$$$
WAY-345694
csChFnd80/06171916322D

 28 30  0  0  0  0  0  0  0  0999 V2000
   14.7042   -2.4917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.7625    0.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6292   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0500    0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6167    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7917   -2.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0542   -2.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4042   -1.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3542   -0.9125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9875   -2.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1875    2.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6000   -1.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8042   -3.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0417   -1.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3167   -2.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -3.3875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7250   -1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1792    0.4083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6292   -1.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7667    3.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9417   -4.3417    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.5250   -0.9000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.0250    3.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5417   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2667    0.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8542    0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6250    5.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3 10  1  0  0  0  0
  4  2  2  0  0  0  0
  5  2  1  0  0  0  0
  6  3  2  0  0  0  0
  7  8  2  0  0  0  0
  8  6  1  0  0  0  0
  9  1  1  0  0  0  0
 10 20  1  0  0  0  0
 11  9  2  0  0  0  0
 12  4  1  0  0  0  0
 13  1  2  0  0  0  0
 14  1  2  0  0  0  0
 15 16  1  0  0  0  0
 16 18  1  0  0  0  0
 17  1  1  0  0  0  0
 18 11  1  0  0  0  0
 19 15  2  0  0  0  0
 20 15  1  0  0  0  0
 21  5  2  0  0  0  0
 22  6  1  0  0  0  0
 23  7  1  0  0  0  0
 24 21  1  0  0  0  0
 25  9  1  0  0  0  0
 26 25  2  0  0  0  0
 27 26  1  0  0  0  0
 28 21  1  0  0  0  0
 18 27  2  0  0  0  0
  4  7  1  0  0  0  0
 12 24  2  0  0  0  0
M  END
>  <Mol_ID> (1,374)
1374

>  <Formula> (1,374)
C18H15Cl2N3O4S

>  <MolWeight> (1,374)
440.3004

>  <COMPOUND_NAME> (1,374)
WAY-345694

>  <BAR_CODE_NO> (1,374)
2555921

$$$$
WAY-345696
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   12.2500  -13.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9250  -14.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9167  -13.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2292  -14.5292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.1292  -12.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3542  -13.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2500  -12.5292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9042  -10.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2667  -15.9792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2667  -14.8417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2292   -9.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9375  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8917  -11.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9000  -12.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2250  -10.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2292  -11.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8875   -7.9292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8417  -11.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5167  -12.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8917   -9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  2  0  0  0  0
  7  3  1  0  0  0  0
  8 16  1  0  0  0  0
  9  2  1  0  0  0  0
 10  3  2  0  0  0  0
 11  8  1  0  0  0  0
 12 10  1  0  0  0  0
 13  7  1  0  0  0  0
 14  7  1  0  0  0  0
 15 13  1  0  0  0  0
 16 14  1  0  0  0  0
 17 11  2  0  0  0  0
 18  5  1  0  0  0  0
 19  6  1  0  0  0  0
 20 11  1  0  0  0  0
  6  4  1  0  0  0  0
 12  9  2  0  0  0  0
 15  8  1  0  0  0  0
M  END
>  <Mol_ID> (1,375)
1375

>  <Formula> (1,375)
C14H18N4OS

>  <MolWeight> (1,375)
290.38392

>  <COMPOUND_NAME> (1,375)
WAY-345696

>  <BAR_CODE_NO> (1,375)
2555923

$$$$
WAY-345874
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
    3.6856    6.9046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3808    5.5129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9932    5.3822    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4682    7.5973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9011    7.6409    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2913    4.4717    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4291    6.6432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8163    3.1712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7704    2.1280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1144    6.9481    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1580    2.0844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3319    7.6409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5473    6.9481    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9011    9.0720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4682    2.8664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2913    0.7819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5935    0.7819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4216    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3375    9.0326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.9046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7606    7.6824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3319    9.0720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6856    9.7668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1144    9.7668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7606    9.0720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5473    9.7668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1144   11.1523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6856   11.1523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9011   11.8471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  4  2  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  5  1  0  0  0  0
 11  9  1  0  0  0  0
 12 10  1  0  0  0  0
 13 12  2  0  0  0  0
 14  5  1  0  0  0  0
 15  8  2  0  0  0  0
 16  9  2  0  0  0  0
 17 11  1  0  0  0  0
 18 16  1  0  0  0  0
 19  4  1  0  0  0  0
 20  7  1  0  0  0  0
 21 13  1  0  0  0  0
 22 12  1  0  0  0  0
 23 14  1  0  0  0  0
 24 14  2  0  0  0  0
 25 26  1  0  0  0  0
 26 22  2  0  0  0  0
 27 24  1  0  0  0  0
 28 23  2  0  0  0  0
 29 27  2  0  0  0  0
  7  3  1  0  0  0  0
 29 28  1  0  0  0  0
 21 25  2  0  0  0  0
 18 17  2  0  0  0  0
M  END
>  <Mol_ID> (1,376)
1376

>  <Formula> (1,376)
C23H21N3O2S

>  <MolWeight> (1,376)
403.49674

>  <COMPOUND_NAME> (1,376)
WAY-345874

>  <BAR_CODE_NO> (1,376)
2556540

$$$$
WAY-345896
csChFnd80/06171916322D

 29 31  0  0  0  0  0  0  0  0999 V2000
    0.4167   -0.9792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292   -2.6417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417   -1.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1500   -2.2292    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.2958   -1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2875   -2.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8625   -2.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5750   -2.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083   -2.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208   -1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208   -2.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8500   -2.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8625   -0.9792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8417   -1.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1417   -2.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5667   -1.3917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2875   -2.6375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1250   -0.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4250   -2.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4167   -1.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5667   -2.6167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5625   -0.9667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -2.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4375   -2.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4333   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7125   -2.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2792   -2.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2792   -1.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  6  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7  4  1  0  0  0  0
  8  7  1  0  0  0  0
  9  6  2  0  0  0  0
 10  5  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 16  1  0  0  0  0
 14  3  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  2  0  0  0  0
 17  8  2  0  0  0  0
 18  8  1  0  0  0  0
 19 21  2  0  0  0  0
 20 27  1  0  0  0  0
 21 20  1  0  0  0  0
 22 13  1  0  0  0  0
 23 15  1  0  0  0  0
 24 18  1  0  0  0  0
 25 12  1  0  0  0  0
 26 11  1  0  0  0  0
 27 24  1  0  0  0  0
 28 22  1  0  0  0  0
 29 23  1  0  0  0  0
  2  4  1  0  0  0  0
 12  9  1  0  0  0  0
 15 13  2  0  0  0  0
M  END
>  <Mol_ID> (1,377)
1377

>  <Formula> (1,377)
C22H27N3O4

>  <MolWeight> (1,377)
397.46748

>  <COMPOUND_NAME> (1,377)
WAY-345896

>  <BAR_CODE_NO> (1,377)
2556929

$$$$
WAY-345932
csChFnd80/06171916322D

 29 33  0  0  0  0  0  0  0  0999 V2000
   11.2417  -10.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8125  -11.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1375  -10.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9042  -10.9167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.2667  -12.1292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9792   -9.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5792  -11.1750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0125   -9.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1417  -12.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5667   -9.2417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1625  -14.0750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5917  -13.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4375   -9.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8417   -8.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2917  -15.9875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7167   -8.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8500   -8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9167   -9.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1375   -7.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2750  -14.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6042  -15.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7750  -10.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9042  -10.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1792  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8417  -15.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1875   -9.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0375   -7.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7542   -7.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7875   -8.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  2  0  0  0  0
  8  6  2  0  0  0  0
  9  7  1  0  0  0  0
 10  3  1  0  0  0  0
 11 12  1  0  0  0  0
 12  9  1  0  0  0  0
 13 10  1  0  0  0  0
 14 13  2  0  0  0  0
 15 24  1  0  0  0  0
 16 14  1  0  0  0  0
 17  6  1  0  0  0  0
 18  8  1  0  0  0  0
 19 16  1  0  0  0  0
 20 11  1  0  0  0  0
 21 11  1  0  0  0  0
 22 23  2  0  0  0  0
 23 13  1  0  0  0  0
 24 21  1  0  0  0  0
 25 20  1  0  0  0  0
 26 22  1  0  0  0  0
 27 19  1  0  0  0  0
 28 17  1  0  0  0  0
 29 28  1  0  0  0  0
  4  8  1  0  0  0  0
  9  5  2  0  0  0  0
 18 29  1  0  0  0  0
 26 16  2  0  0  0  0
 15 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,378)
1378

>  <Formula> (1,378)
C22H26N4O2S

>  <MolWeight> (1,378)
410.53244

>  <COMPOUND_NAME> (1,378)
WAY-345932

>  <BAR_CODE_NO> (1,378)
2556324

$$$$
WAY-345941
csChFnd80/06171916322D

 14 15  0  0  0  0  0  0  0  0999 V2000
    0.1890    0.1096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1890   -0.1697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0490    0.2510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4407    0.2510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0490   -0.3110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4407   -0.3110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3007    0.1096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6890    0.1096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3007   -0.1697    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0490   -0.6007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6890   -0.1697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5490    0.2510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5490    0.5407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7904    0.1096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
M  END
>  <Mol_ID> (1,379)
1379

>  <Formula> (1,379)
C10H6O3S

>  <MolWeight> (1,379)
206.21784

>  <COMPOUND_NAME> (1,379)
WAY-345941

>  <BAR_CODE_NO> (1,379)
2556335

$$$$
WAY-345945
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
    1.7167   -2.0250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1000   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4292   -0.7250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4292   -1.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542   -0.8042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7167   -2.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000   -3.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000   -4.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2917   -1.2917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2917   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4292   -3.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1917   -1.9417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7167   -4.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4292   -4.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6167   -0.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8667   -1.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6292   -1.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0542   -1.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2000   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792   -4.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7167   -1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8625    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333   -0.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7167   -5.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8208   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0500   -1.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3375   -1.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  1  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9 17  1  0  0  0  0
 10  2  1  0  0  0  0
 11  6  1  0  0  0  0
 12  4  1  0  0  0  0
 13 14  1  0  0  0  0
 14 11  2  0  0  0  0
 15 22  1  0  0  0  0
 16 12  1  0  0  0  0
 17 16  1  0  0  0  0
 18  9  1  0  0  0  0
 19  9  1  0  0  0  0
 20  8  1  0  0  0  0
 21 18  1  0  0  0  0
 22 19  1  0  0  0  0
 23 10  2  0  0  0  0
 24 10  1  0  0  0  0
 25 13  1  0  0  0  0
 26 24  2  0  0  0  0
 27 23  1  0  0  0  0
 28 26  1  0  0  0  0
  5  3  1  0  0  0  0
 13  8  2  0  0  0  0
 28 27  2  0  0  0  0
 15 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,380)
1380

>  <Formula> (1,380)
C22H26N4OS

>  <MolWeight> (1,380)
394.53304

>  <COMPOUND_NAME> (1,380)
WAY-345945

>  <BAR_CODE_NO> (1,380)
2556186

$$$$
WAY-345956
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
    5.3542   -5.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5667   -6.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9292   -5.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3750   -4.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3542   -6.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7250   -5.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5917   -4.6417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9792   -4.3667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9375   -6.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5625   -5.7042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4250   -3.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8250   -3.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0417   -3.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5625   -7.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9875   -7.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7167   -4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7250   -6.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6542   -3.5792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3542   -7.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4417   -3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9292   -7.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5625   -8.7250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.2000   -8.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875   -7.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6042   -7.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6167   -8.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8167   -8.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4 10  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  4  2  0  0  0  0
  8  4  1  0  0  0  0
  9  6  1  0  0  0  0
 10  1  1  0  0  0  0
 11  7  1  0  0  0  0
 12  8  2  0  0  0  0
 13 12  1  0  0  0  0
 14  5  1  0  0  0  0
 15  2  1  0  0  0  0
 16  3  2  0  0  0  0
 17  9  1  0  0  0  0
 18 11  1  0  0  0  0
 19 14  2  0  0  0  0
 20 12  1  0  0  0  0
 21 17  2  0  0  0  0
 22 19  1  0  0  0  0
 23 15  1  0  0  0  0
 24 15  2  0  0  0  0
 25 24  1  0  0  0  0
 26 23  2  0  0  0  0
 27 25  2  0  0  0  0
  5  9  2  0  0  0  0
 13 11  2  0  0  0  0
 21 19  1  0  0  0  0
 27 26  1  0  0  0  0
M  END
>  <Mol_ID> (1,381)
1381

>  <Formula> (1,381)
C19H13ClN4O2S

>  <MolWeight> (1,381)
396.85012

>  <COMPOUND_NAME> (1,381)
WAY-345956

>  <BAR_CODE_NO> (1,381)
2556137

$$$$
WAY-345957
csChFnd80/06171916322D

 22 23  0  0  0  0  0  0  0  0999 V2000
   11.9125   -7.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6542   -7.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7000   -8.5542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.9625   -8.3667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.7417   -9.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8667   -6.7542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1917   -8.9292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -9.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2292   -9.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6542   -6.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2667  -10.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9667   -9.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0167  -10.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1375   -7.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0792   -5.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5042  -11.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5542  -11.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9250   -5.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9917   -8.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0250   -7.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000   -6.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2917  -12.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  2  1  0  0  0  0
  7  2  2  0  0  0  0
  8  5  2  0  0  0  0
  9  3  1  0  0  0  0
 10  6  1  0  0  0  0
 11  5  1  0  0  0  0
 12  9  1  0  0  0  0
 13  9  2  0  0  0  0
 14 10  1  0  0  0  0
 15 10  1  0  0  0  0
 16 12  2  0  0  0  0
 17 13  1  0  0  0  0
 18 15  1  0  0  0  0
 19 14  1  0  0  0  0
 20 19  1  0  0  0  0
 21 18  1  0  0  0  0
 22 17  2  0  0  0  0
 22 16  1  0  0  0  0
 21 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,382)
1382

>  <Formula> (1,382)
C18H26N2O2

>  <MolWeight> (1,382)
302.41124

>  <COMPOUND_NAME> (1,382)
WAY-345957

>  <BAR_CODE_NO> (1,382)
2556139

$$$$
WAY-345995
csChFnd80/06171916322D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -1.9831   -0.1427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1900   -0.1151    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5555    0.6573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4486   -1.0634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7279    0.7469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5142    0.6193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4384   -1.1117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2445    0.7573    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2521    1.6159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0004   -0.2807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6790   -0.1048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6479   -0.1634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1824    0.6469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0824   -1.0220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1514    0.5883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0721   -1.0841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6238   -0.2634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4273   -0.2807    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
  7 10  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (1,383)
1383

>  <Formula> (1,383)
C14H19ClN2O

>  <MolWeight> (1,383)
266.76646

>  <COMPOUND_NAME> (1,383)
WAY-345995

>  <BAR_CODE_NO> (1,383)
2556374

$$$$
WAY-346000
csChFnd80/06171916322D

 31 33  0  0  0  0  0  0  0  0999 V2000
   14.1167   -1.7375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.3917   -2.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8375   -1.3167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5292   -2.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5542   -1.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8125   -1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6792   -1.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5292   -2.4542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7000   -1.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2417   -1.7417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3917   -2.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0917   -2.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9667   -2.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5417   -2.9875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5542   -2.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1000   -2.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6792   -3.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9667   -2.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1167   -3.4042    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   14.8292   -2.9875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8167   -3.4167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2667   -1.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3792   -1.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2667   -2.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3875   -3.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8417   -3.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8167   -4.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9792   -1.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6667   -2.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9792   -2.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6667   -2.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4 10  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  7  2  2  0  0  0  0
  8  1  2  0  0  0  0
  9  1  2  0  0  0  0
 10 13  1  0  0  0  0
 11  2  1  0  0  0  0
 12  6  1  0  0  0  0
 13  7  1  0  0  0  0
 14  4  2  0  0  0  0
 15  5  2  0  0  0  0
 16 12  2  0  0  0  0
 17 11  2  0  0  0  0
 18 17  1  0  0  0  0
 19 11  1  0  0  0  0
 20 15  1  0  0  0  0
 21 16  1  0  0  0  0
 22  5  1  0  0  0  0
 23 12  1  0  0  0  0
 24 15  1  0  0  0  0
 25 16  1  0  0  0  0
 26 20  1  0  0  0  0
 27 21  1  0  0  0  0
 28 22  2  0  0  0  0
 29 23  2  0  0  0  0
 30 28  1  0  0  0  0
 31 29  1  0  0  0  0
 18 13  2  0  0  0  0
 24 30  2  0  0  0  0
 25 31  2  0  0  0  0
M  END
>  <Mol_ID> (1,384)
1384

>  <Formula> (1,384)
C21H20ClN3O5S

>  <MolWeight> (1,384)
461.9186

>  <COMPOUND_NAME> (1,384)
WAY-346000

>  <BAR_CODE_NO> (1,384)
2556379

$$$$
WAY-346034
csChFnd80/06171916322D

 18 20  0  0  0  0  0  0  0  0999 V2000
   12.1042  -13.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5167  -13.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2417  -14.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3875  -12.3292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4167  -14.7750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.5542  -15.9750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.6167  -14.4292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.1417  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7500  -13.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4500  -12.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9667  -12.3625    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.2375  -11.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2667  -13.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8042  -11.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9500   -9.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2375   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1042   -9.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8167   -8.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  1  2  0  0  0  0
  6  8  2  0  0  0  0
  7  3  1  0  0  0  0
  8  5  1  0  0  0  0
  9 10  2  0  0  0  0
 10  2  1  0  0  0  0
 11  4  1  0  0  0  0
 12 11  1  0  0  0  0
 13 11  1  0  0  0  0
 14 12  2  0  0  0  0
 15 12  1  0  0  0  0
 16 15  2  0  0  0  0
 17 14  1  0  0  0  0
 18 16  1  0  0  0  0
  3  6  1  0  0  0  0
  9  7  1  0  0  0  0
 18 17  2  0  0  0  0
M  END
>  <Mol_ID> (1,385)
1385

>  <Formula> (1,385)
C14H13N3S

>  <MolWeight> (1,385)
255.33812

>  <COMPOUND_NAME> (1,385)
WAY-346034

>  <BAR_CODE_NO> (1,385)
2556215

$$$$
WAY-346130
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
   11.9042  -11.7792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3167  -10.7667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.8792  -12.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1417  -10.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0667  -11.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5625   -9.7667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9000   -9.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4042   -9.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8417   -8.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6417  -10.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0625   -9.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8417  -13.4875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5667  -11.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4292  -13.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7042   -8.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9792   -7.6000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.8500  -10.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000   -7.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7167  -10.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6417   -8.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8042  -10.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0750   -9.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8167  -14.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5792  -13.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3917   -9.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8042   -8.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1292  -14.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3667  -15.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5167  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  5  1  0  0  0  0
 11 10  1  0  0  0  0
 12  3  2  0  0  0  0
 13  4  2  0  0  0  0
 14  3  1  0  0  0  0
 15  9  2  0  0  0  0
 16 15  1  0  0  0  0
 17  8  2  0  0  0  0
 18  9  1  0  0  0  0
 19 17  1  0  0  0  0
 20 11  2  0  0  0  0
 21 10  2  0  0  0  0
 22 19  2  0  0  0  0
 23 14  2  0  0  0  0
 24 14  1  0  0  0  0
 25 21  1  0  0  0  0
 26 25  2  0  0  0  0
 27 24  2  0  0  0  0
 28 23  1  0  0  0  0
 29 27  1  0  0  0  0
 11  7  1  0  0  0  0
 20 26  1  0  0  0  0
 29 28  2  0  0  0  0
 22 15  1  0  0  0  0
M  END
>  <Mol_ID> (1,386)
1386

>  <Formula> (1,386)
C24H21ClN2O2

>  <MolWeight> (1,386)
404.88874

>  <COMPOUND_NAME> (1,386)
WAY-346130

>  <BAR_CODE_NO> (1,386)
2556289

$$$$
WAY-346176
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   10.1292   -8.1125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5542   -6.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7875   -8.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4625   -6.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3667   -6.8292    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.9250   -9.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2625   -9.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8417   -6.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0417  -10.1292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9917   -9.2250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0792   -6.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7917   -7.8417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8375  -11.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7917   -5.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2000  -11.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2417  -12.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5000   -4.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8000   -4.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -12.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5042   -2.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2125   -3.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0375  -13.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4000  -13.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2167   -2.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  2  2  0  0  0  0
  9  7  1  0  0  0  0
 10  3  2  0  0  0  0
 11  5  1  0  0  0  0
 12  7  2  0  0  0  0
 13  9  1  0  0  0  0
 14 11  1  0  0  0  0
 15 13  1  0  0  0  0
 16 13  2  0  0  0  0
 17 14  2  0  0  0  0
 18 14  1  0  0  0  0
 19 15  2  0  0  0  0
 20 18  2  0  0  0  0
 21 17  1  0  0  0  0
 22 16  1  0  0  0  0
 23 22  2  0  0  0  0
 24 20  1  0  0  0  0
  5  4  1  0  0  0  0
 23 19  1  0  0  0  0
 24 21  2  0  0  0  0
M  END
>  <Mol_ID> (1,387)
1387

>  <Formula> (1,387)
C18H17N3O3

>  <MolWeight> (1,387)
323.34588

>  <COMPOUND_NAME> (1,387)
WAY-346176

>  <BAR_CODE_NO> (1,387)
2556368

$$$$
WAY-346193
csChFnd80/06171916322D

 23 24  0  0  0  0  0  0  0  0999 V2000
   14.1917   -4.8042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542   -0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3125   -4.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2042   -2.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542   -0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1250   -5.7625    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.1292   -5.7292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1625   -3.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2792    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6250    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -5.6167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0042   -2.8167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2750   -7.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1917   -2.1917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1792   -6.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1542   -3.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1667   -3.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1875   -2.2792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792    2.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5958   -2.0250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2875    2.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583    4.9042    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.1042   -7.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  1  0  0  0  0
  4 14  1  0  0  0  0
  5  2  2  0  0  0  0
  6  3  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  2  1  0  0  0  0
 10  5  1  0  0  0  0
 11  1  2  0  0  0  0
 12  1  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15  1  1  0  0  0  0
 16  8  1  0  0  0  0
 17  4  2  0  0  0  0
 18  8  2  0  0  0  0
 19 21  1  0  0  0  0
 20  5  1  0  0  0  0
 21  9  2  0  0  0  0
 22 19  1  0  0  0  0
 23  7  1  0  0  0  0
 13  6  1  0  0  0  0
 10 19  2  0  0  0  0
M  END
>  <Mol_ID> (1,388)
1388

>  <Formula> (1,388)
C14H17ClN2O5S

>  <MolWeight> (1,388)
360.81318

>  <COMPOUND_NAME> (1,388)
WAY-346193

>  <BAR_CODE_NO> (1,388)
2556349

$$$$
WAY-346271
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
    9.4417   -6.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7917   -7.6125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7917   -5.8167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7750   -8.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3375   -9.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7375   -6.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7375   -7.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1625  -10.4042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8792   -8.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5500   -6.7250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.2125   -7.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0542   -1.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.1167   -9.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7250   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1000   -7.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7667   -6.7250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1292   -4.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3875   -3.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7792   -5.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6917   -8.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7792   -7.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1750  -10.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8125   -6.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7542   -8.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8125   -7.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -9.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4 11  1  0  0  0  0
  5  4  2  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  4  1  0  0  0  0
 10  1  1  0  0  0  0
 11 15  1  0  0  0  0
 12 14  3  0  0  0  0
 13  9  1  0  0  0  0
 14 18  1  0  0  0  0
 15 10  1  0  0  0  0
 16 11  2  0  0  0  0
 17  3  1  0  0  0  0
 18 17  1  0  0  0  0
 19  6  2  0  0  0  0
 20  9  2  0  0  0  0
 21  7  2  0  0  0  0
 22 13  2  0  0  0  0
 23 19  1  0  0  0  0
 24 20  1  0  0  0  0
 25 21  1  0  0  0  0
 26 24  2  0  0  0  0
  6  7  1  0  0  0  0
 23 25  2  0  0  0  0
  8 13  1  0  0  0  0
 26 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,389)
1389

>  <Formula> (1,389)
C20H16N4OS

>  <MolWeight> (1,389)
360.43224

>  <COMPOUND_NAME> (1,389)
WAY-346271

>  <BAR_CODE_NO> (1,389)
2556460

$$$$
WAY-346279
csChFnd80/06171916322D

 22 23  0  0  0  0  0  0  0  0999 V2000
   -2.0333    0.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4333    1.3708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6708    2.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2125    0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8083   -0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2458    2.8208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2583    1.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292   -0.8167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4583   -0.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833    1.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417    0.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0833    1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0958    2.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6625    3.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4208    2.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167   -1.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2625   -0.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9208    1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9208    2.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3333    2.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  8  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  3  1  0  0  0  0
  8  2  1  0  0  0  0
  9  6  1  0  0  0  0
 10  1  2  0  0  0  0
 11  4  1  0  0  0  0
 12 15  1  0  0  0  0
 13  3  1  0  0  0  0
 14  3  1  0  0  0  0
 15 11  2  0  0  0  0
 16  7  1  0  0  0  0
 17  7  1  0  0  0  0
 18  9  1  0  0  0  0
 19  9  1  0  0  0  0
 20 13  1  0  0  0  0
 21 14  1  0  0  0  0
 22 21  1  0  0  0  0
  6 12  2  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,390)
1390

>  <Formula> (1,390)
C18H29N3O

>  <MolWeight> (1,390)
303.44236

>  <COMPOUND_NAME> (1,390)
WAY-346279

>  <BAR_CODE_NO> (1,390)
2556721

$$$$
WAY-346343
csChFnd80/06171916322D

 22 23  0  0  0  0  0  0  0  0999 V2000
   14.1000   -6.8417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1917   -2.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542   -0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2000   -7.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2667    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6208    1.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5750   -8.7667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.2667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1292   -3.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0667   -5.7250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1750   -2.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0667   -5.7750    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   14.1375   -4.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1625   -3.8292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1750   -2.2917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2542   -4.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792    2.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5875   -2.0167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1375   -3.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2750    2.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    4.8875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3 12  1  0  0  0  0
  4  2  2  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8  1  2  0  0  0  0
  9  1  2  0  0  0  0
 10 11  1  0  0  0  0
 11 13  1  0  0  0  0
 12 20  1  0  0  0  0
 13  5  1  0  0  0  0
 14  1  1  0  0  0  0
 15  3  2  0  0  0  0
 16 10  2  0  0  0  0
 17 14  1  0  0  0  0
 18 21  1  0  0  0  0
 19  4  1  0  0  0  0
 20 10  1  0  0  0  0
 21  6  2  0  0  0  0
 22 18  1  0  0  0  0
 17 13  1  0  0  0  0
  7 18  2  0  0  0  0
M  END
>  <Mol_ID> (1,391)
1391

>  <Formula> (1,391)
C13H15ClN2O5S

>  <MolWeight> (1,391)
346.7866

>  <COMPOUND_NAME> (1,391)
WAY-346343

>  <BAR_CODE_NO> (1,391)
2556556

$$$$
WAY-346649
csChFnd80/06171916322D

 12 13  0  0  0  0  0  0  0  0999 V2000
    0.8724   -0.2793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5517   -0.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8000    0.8069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6207   -1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3655   -1.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1724    1.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1276    0.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4621    2.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0138   -1.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7931   -1.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6000    1.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4138    0.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
 10 12  1  0  0  0  0
  7  9  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (1,392)
1392

>  <Formula> (1,392)
C9H15N3

>  <MolWeight> (1,392)
165.2355

>  <COMPOUND_NAME> (1,392)
WAY-346649

>  <BAR_CODE_NO> (1,392)
2557099

$$$$
WAY-346658
csChFnd80/06171916322D

 19 20  0  0  0  0  0  0  0  0999 V2000
    9.4875   -6.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6375   -5.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9125   -6.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0542   -3.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6667   -7.4250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.6292   -7.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2917   -5.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3125   -7.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0875   -2.7250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9292   -8.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0625   -7.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4417   -3.4542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8042   -8.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2625  -11.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -12.3500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   15.9500   -9.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8417  -11.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2167   -8.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1125   -9.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  4  2  0  0  0  0
 10  6  2  0  0  0  0
 11  6  1  0  0  0  0
 12  4  1  0  0  0  0
 13 11  1  0  0  0  0
 14 17  1  0  0  0  0
 15 14  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 13  2  0  0  0  0
 19 13  1  0  0  0  0
  7  8  2  0  0  0  0
 14 16  2  0  0  0  0
M  END
>  <Mol_ID> (1,393)
1393

>  <Formula> (1,393)
C13H11ClN2O2S

>  <MolWeight> (1,393)
294.75664

>  <COMPOUND_NAME> (1,393)
WAY-346658

>  <BAR_CODE_NO> (1,393)
2556822

$$$$
WAY-346763
csChFnd80/06171916322D

 21 22  0  0  0  0  0  0  0  0999 V2000
   11.9167  -12.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6625  -13.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8417  -12.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6625  -11.0167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8500  -11.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6667  -12.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0542  -10.9417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.8500  -13.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7917  -10.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0417  -13.1042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1792   -9.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7250  -14.6292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2750  -14.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8542  -10.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8042   -8.7542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1542  -12.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -12.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9042   -9.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1792   -7.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9000  -12.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2792  -10.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  3  1  0  0  0  0
  9  7  1  0  0  0  0
 10  6  2  0  0  0  0
 11  9  1  0  0  0  0
 12  8  2  0  0  0  0
 13  2  1  0  0  0  0
 14  5  1  0  0  0  0
 15 11  1  0  0  0  0
 16  9  2  0  0  0  0
 17  8  1  0  0  0  0
 18 11  2  0  0  0  0
 19 15  1  0  0  0  0
 20 16  1  0  0  0  0
 21 20  2  0  0  0  0
  5  3  2  0  0  0  0
 18 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,394)
1394

>  <Formula> (1,394)
C16H18N2O3

>  <MolWeight> (1,394)
286.32572

>  <COMPOUND_NAME> (1,394)
WAY-346763

>  <BAR_CODE_NO> (1,394)
2556986

$$$$
WAY-346793
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
    6.3792   -5.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4167   -8.5625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0167   -7.4917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5875   -4.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8667   -7.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0792   -2.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3667  -10.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6125   -5.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3042   -1.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3625   -2.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7250  -11.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2875   -4.9917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9500  -10.9292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8000    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6917  -12.6167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0417  -13.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8625   -0.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7875  -15.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1167    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0292   -2.0417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1542  -16.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.4625  -12.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0000  -15.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8292  -13.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3667  -15.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1542   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  8  2  0  0  0  0
  4  1  1  0  0  0  0
  5  1  2  0  0  0  0
  6  4  1  0  0  0  0
  7  2  1  0  0  0  0
  8  1  1  0  0  0  0
  9  6  1  0  0  0  0
 10  6  2  0  0  0  0
 11  7  1  0  0  0  0
 12  4  2  0  0  0  0
 13  7  2  0  0  0  0
 14  9  2  0  0  0  0
 15 11  1  0  0  0  0
 16 15  1  0  0  0  0
 17 10  1  0  0  0  0
 18 25  2  0  0  0  0
 19 17  2  0  0  0  0
 20  9  1  0  0  0  0
 21 18  1  0  0  0  0
 22 16  1  0  0  0  0
 23 16  2  0  0  0  0
 24 22  2  0  0  0  0
 25 23  1  0  0  0  0
 26 17  1  0  0  0  0
  2  3  1  0  0  0  0
 14 19  1  0  0  0  0
 24 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,395)
1395

>  <Formula> (1,395)
C19H15ClN2O4

>  <MolWeight> (1,395)
370.7864

>  <COMPOUND_NAME> (1,395)
WAY-346793

>  <BAR_CODE_NO> (1,395)
2557079

$$$$
WAY-346862
csChFnd80/06171916322D

 24 27  0  0  0  0  0  0  0  0999 V2000
   11.3417  -13.4292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2125  -12.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4667  -14.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1167  -14.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5375  -12.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9875  -10.9292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.6292  -11.9250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5792  -15.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9292  -13.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6917  -16.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0667  -10.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3917  -10.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6292  -15.9375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2750  -12.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9875   -9.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3292   -8.3667    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.0292  -10.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8792  -12.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2375  -10.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3917   -9.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4875   -9.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8417   -8.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9375   -7.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2542   -8.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  2  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  2  2  0  0  0  0
  7  5  2  0  0  0  0
  8  3  1  0  0  0  0
  9  1  1  0  0  0  0
 10  8  3  0  0  0  0
 11  6  1  0  0  0  0
 12 11  1  0  0  0  0
 13  4  1  0  0  0  0
 14  9  1  0  0  0  0
 15 19  2  0  0  0  0
 16 15  1  0  0  0  0
 17 14  1  0  0  0  0
 18 14  2  0  0  0  0
 19 18  1  0  0  0  0
 20 17  2  0  0  0  0
 21 12  2  0  0  0  0
 22 11  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
  3  5  1  0  0  0  0
 15 20  1  0  0  0  0
  7 12  1  0  0  0  0
 21 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,396)
1396

>  <Formula> (1,396)
C18H12ClN5

>  <MolWeight> (1,396)
333.77438

>  <COMPOUND_NAME> (1,396)
WAY-346862

>  <BAR_CODE_NO> (1,396)
2557158

$$$$
WAY-346874
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
   10.6292   -4.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8042   -4.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0167   -3.3792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4250   -5.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8292   -3.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0500   -5.4375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8292   -6.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6167   -5.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2292   -2.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0542   -2.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4542   -1.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2667   -1.4042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5792   -2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2042   -0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8042   -1.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2167   -6.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1917   -4.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4417   -7.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6417   -6.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0250   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7042   -2.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8542   -8.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0667   -7.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4125   -6.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3875   -4.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6667   -8.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -5.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  2  0  0  0  0
  7  4  1  0  0  0  0
  8  4  1  0  0  0  0
  9  5  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13  3  1  0  0  0  0
 14 15  2  0  0  0  0
 15  9  1  0  0  0  0
 16  8  2  0  0  0  0
 17  8  1  0  0  0  0
 18  7  2  0  0  0  0
 19  7  1  0  0  0  0
 20 14  1  0  0  0  0
 21 12  1  0  0  0  0
 22 18  1  0  0  0  0
 23 19  2  0  0  0  0
 24 16  1  0  0  0  0
 25 17  2  0  0  0  0
 26 23  1  0  0  0  0
 27 25  1  0  0  0  0
 20 11  2  0  0  0  0
 27 24  2  0  0  0  0
 26 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,397)
1397

>  <Formula> (1,397)
C24H25NO2

>  <MolWeight> (1,397)
359.4608

>  <COMPOUND_NAME> (1,397)
WAY-346874

>  <BAR_CODE_NO> (1,397)
2557233

$$$$
WAY-346890
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   10.2917   -5.4042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1792   -5.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1875   -6.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0000   -6.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3042   -7.3042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5625   -8.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9625   -7.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0917   -9.4167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.2292   -5.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1792   -6.3375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   15.7292   -8.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7667   -7.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9792  -10.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5375   -6.3250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -9.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1542   -5.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3417   -3.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3167   -3.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2000   -4.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3792   -3.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3500   -3.0250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2792   -3.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  7  1  0  0  0  0
  7 12  1  0  0  0  0
  8  6  1  0  0  0  0
  9  2  1  0  0  0  0
 10  4  1  0  0  0  0
 11  6  2  0  0  0  0
 12 10  1  0  0  0  0
 13  8  1  0  0  0  0
 14  7  2  0  0  0  0
 15 11  1  0  0  0  0
 16  9  2  0  0  0  0
 17  9  1  0  0  0  0
 18 20  1  0  0  0  0
 19 16  1  0  0  0  0
 20 17  2  0  0  0  0
 21 18  1  0  0  0  0
 22 21  1  0  0  0  0
  5  3  1  0  0  0  0
 19 18  2  0  0  0  0
 13 15  2  0  0  0  0
M  END
>  <Mol_ID> (1,398)
1398

>  <Formula> (1,398)
C15H12N2O3S2

>  <MolWeight> (1,398)
332.39738

>  <COMPOUND_NAME> (1,398)
WAY-346890

>  <BAR_CODE_NO> (1,398)
2557108

$$$$
WAY-347051
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.6167   -0.9375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042   -1.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5250   -1.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6167   -0.7750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0625   -0.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958   -2.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9125   -2.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083   -2.0875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1958   -3.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6167   -2.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542   -3.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2583   -2.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333   -0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583   -3.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2250   -3.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9417    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8833   -2.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167   -4.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5750   -0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2625    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4375    0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6  8  1  0  0  0  0
  7  6  2  0  0  0  0
  8 10  1  0  0  0  0
  9  7  1  0  0  0  0
 10  2  1  0  0  0  0
 11  6  1  0  0  0  0
 12  7  1  0  0  0  0
 13  1  1  0  0  0  0
 14 15  1  0  0  0  0
 15 11  2  0  0  0  0
 16  5  1  0  0  0  0
 17 12  1  0  0  0  0
 18 12  1  0  0  0  0
 19 15  1  0  0  0  0
 20 13  1  0  0  0  0
 21 16  1  0  0  0  0
 22 20  1  0  0  0  0
  3  4  1  0  0  0  0
 21 22  1  0  0  0  0
  9 14  2  0  0  0  0
M  END
>  <Mol_ID> (1,399)
1399

>  <Formula> (1,399)
C18H25N3O

>  <MolWeight> (1,399)
299.4106

>  <COMPOUND_NAME> (1,399)
WAY-347051

>  <BAR_CODE_NO> (1,399)
2557649

$$$$
WAY-347085
csChFnd80/06171916322D

 19 20  0  0  0  0  0  0  0  0999 V2000
    3.0292   -7.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1667  -10.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2750   -5.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6750  -14.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5500  -10.1125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6917  -12.2000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.6417   -7.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1250   -3.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4167  -16.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9292  -12.0917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8917  -15.9292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -3.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0417  -12.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958   -5.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6542   -6.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5167  -14.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208   -1.7000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167    0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8917   -3.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  6  1  0  0  0  0
  5  2  1  0  0  0  0
  6  5  1  0  0  0  0
  7  1  1  0  0  0  0
  8  3  1  0  0  0  0
  9  4  1  0  0  0  0
 10  2  2  0  0  0  0
 11  4  2  0  0  0  0
 12 14  1  0  0  0  0
 13  6  1  0  0  0  0
 14  7  2  0  0  0  0
 15  3  1  0  0  0  0
 16 13  1  0  0  0  0
 17 12  1  0  0  0  0
 18 17  1  0  0  0  0
 19 15  1  0  0  0  0
  8 12  2  0  0  0  0
 16  9  1  0  0  0  0
M  END
>  <Mol_ID> (1,400)
1400

>  <Formula> (1,400)
C13H14O5S

>  <MolWeight> (1,400)
282.31226

>  <COMPOUND_NAME> (1,400)
WAY-347085

>  <BAR_CODE_NO> (1,400)
2557285

$$$$
WAY-347087
csChFnd80/06171916322D

 22 23  0  0  0  0  0  0  0  0999 V2000
    8.8750   -4.5417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7500   -5.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8625   -6.2750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7042   -5.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1042   -6.5250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9542   -5.4417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.7500   -4.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8500   -6.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5125   -7.4792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000   -4.8042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.7542   -7.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4167   -5.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1417   -3.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6042   -6.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6042   -4.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8792   -3.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8000   -8.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7042   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3500   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7417   -2.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8792   -2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  4  1  0  0  0  0
  7  2  1  0  0  0  0
  8 14  1  0  0  0  0
  9  8  1  0  0  0  0
 10  7  2  0  0  0  0
 11  9  1  0  0  0  0
 12  8  2  0  0  0  0
 13  1  1  0  0  0  0
 14  6  1  0  0  0  0
 15 10  1  0  0  0  0
 16  7  1  0  0  0  0
 17 11  1  0  0  0  0
 18 11  1  0  0  0  0
 19 11  1  0  0  0  0
 20 13  1  0  0  0  0
 21 22  1  0  0  0  0
 22 16  2  0  0  0  0
  3  5  1  0  0  0  0
 15 21  2  0  0  0  0
M  END
>  <Mol_ID> (1,401)
1401

>  <Formula> (1,401)
C15H21N5OS

>  <MolWeight> (1,401)
319.42514

>  <COMPOUND_NAME> (1,401)
WAY-347087

>  <BAR_CODE_NO> (1,401)
2557356

$$$$
WAY-347091
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
    9.9292  -10.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2292   -8.9750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9125   -6.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2750  -10.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9667  -11.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2417   -5.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3042  -11.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8375   -7.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9667   -8.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3042   -7.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1792   -6.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2875  -11.2917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9167   -8.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9542  -10.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2625   -8.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8542   -4.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9750   -5.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9250   -3.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3167   -4.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1917   -3.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2542   -2.4542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0042  -12.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3042  -10.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3500  -12.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -11.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3 10  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  3  1  0  0  0  0
  7  5  1  0  0  0  0
  8  2  1  0  0  0  0
  9  2  1  0  0  0  0
 10  9  1  0  0  0  0
 11  8  1  0  0  0  0
 12  1  2  0  0  0  0
 13  4  1  0  0  0  0
 14 15  1  0  0  0  0
 15 13  2  0  0  0  0
 16  6  1  0  0  0  0
 17  6  2  0  0  0  0
 18 19  2  0  0  0  0
 19 17  1  0  0  0  0
 20 16  2  0  0  0  0
 21 18  1  0  0  0  0
 22  7  1  0  0  0  0
 23 14  1  0  0  0  0
 24 22  2  0  0  0  0
 25 23  2  0  0  0  0
  3 11  1  0  0  0  0
 14  7  2  0  0  0  0
 25 24  1  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,402)
1402

>  <Formula> (1,402)
C21H20N2O2

>  <MolWeight> (1,402)
332.3957

>  <COMPOUND_NAME> (1,402)
WAY-347091

>  <BAR_CODE_NO> (1,402)
2557360

$$$$
WAY-347098
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
    6.1792   -4.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3542   -7.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4292   -4.2417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.0542   -7.5625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1042   -5.3042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1792   -5.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1917   -5.9542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.0250   -6.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4417   -6.3417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4250   -6.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4042   -5.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0417   -4.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0292   -2.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4792   -5.2667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.9792   -8.7250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9000   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1542   -2.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1250   -6.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3250   -6.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0750   -4.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0042   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8875   -0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1417   -0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2792   -2.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7542   -2.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -5.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3750   -4.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  1  0  0  0  0
  4 10  1  0  0  0  0
  5 10  2  0  0  0  0
  6  3  1  0  0  0  0
  7  1  2  0  0  0  0
  8 11  1  0  0  0  0
  9  7  1  0  0  0  0
 10 18  1  0  0  0  0
 11  5  1  0  0  0  0
 12  1  1  0  0  0  0
 13 12  1  0  0  0  0
 14  6  1  0  0  0  0
 15  2  2  0  0  0  0
 16 13  2  0  0  0  0
 17 13  1  0  0  0  0
 18 14  1  0  0  0  0
 19  8  2  0  0  0  0
 20 11  2  0  0  0  0
 21 23  1  0  0  0  0
 22 16  1  0  0  0  0
 23 17  2  0  0  0  0
 24 17  1  0  0  0  0
 25 16  1  0  0  0  0
 26 27  2  0  0  0  0
 27 20  1  0  0  0  0
  9  6  2  0  0  0  0
 22 21  2  0  0  0  0
  2  8  1  0  0  0  0
 26 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,403)
1403

>  <Formula> (1,403)
C19H17N5OS2

>  <MolWeight> (1,403)
395.50118

>  <COMPOUND_NAME> (1,403)
WAY-347098

>  <BAR_CODE_NO> (1,403)
2557334

$$$$
WAY-347111
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    9.2665    2.4469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8573    2.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7627    3.6126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9557    2.4533    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1463    3.6340    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6084    2.8590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4165    1.7679    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4123    3.1450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0736    3.5742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9172    4.7187    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.0992    1.3281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4063    2.1714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5892    4.2639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1655    1.2042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1957    2.8504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1893    4.2447    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4255    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6757    4.8276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6999    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2085    0.0576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  5  1  0  0  0  0
  4  3  2  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7 11  2  0  0  0  0
  8  9  1  0  0  0  0
  9  1  2  0  0  0  0
 10  3  1  0  0  0  0
 11  1  1  0  0  0  0
 12  6  1  0  0  0  0
 13 10  1  0  0  0  0
 14  2  2  0  0  0  0
 15 12  2  0  0  0  0
 16 15  1  0  0  0  0
 17 12  1  0  0  0  0
 18  9  1  0  0  0  0
 19 11  1  0  0  0  0
 20 15  1  0  0  0  0
 21 17  2  0  0  0  0
 22 21  1  0  0  0  0
  7  8  1  0  0  0  0
  6 13  2  0  0  0  0
 22 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,404)
1404

>  <Formula> (1,404)
C15H12ClN3O2S

>  <MolWeight> (1,404)
333.79268

>  <COMPOUND_NAME> (1,404)
WAY-347111

>  <BAR_CODE_NO> (1,404)
2557318

$$$$
WAY-347120
csChFnd80/06171916322D

 17 18  0  0  0  0  0  0  0  0999 V2000
    9.1542   -7.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4292   -7.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0417   -5.8542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5500   -9.8667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8292   -3.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8792   -5.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9875   -9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9292   -2.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8792   -5.9542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5917   -5.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1042   -2.0917    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   14.8292   -9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6750   -3.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8750   -0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6292   -2.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7292   -0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  6  1  0  0  0  0
  6  3  1  0  0  0  0
  7  1  2  0  0  0  0
  8  5  2  0  0  0  0
  9 10  1  0  0  0  0
 10  2  2  0  0  0  0
 11  8  1  0  0  0  0
 12  4  2  0  0  0  0
 13  5  1  0  0  0  0
 14  9  2  0  0  0  0
 15  8  1  0  0  0  0
 16 13  2  0  0  0  0
 17 16  1  0  0  0  0
 14 12  1  0  0  0  0
 15 17  2  0  0  0  0
M  END
>  <Mol_ID> (1,405)
1405

>  <Formula> (1,405)
C12H10ClN3O

>  <MolWeight> (1,405)
247.6803

>  <COMPOUND_NAME> (1,405)
WAY-347120

>  <BAR_CODE_NO> (1,405)
2557327

$$$$
WAY-347187
csChFnd80/06171916322D

 22 23  0  0  0  0  0  0  0  0999 V2000
   12.5250   -6.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6292   -8.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8167   -9.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2750   -6.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.4542   -8.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8167   -4.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042   -3.1417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4375  -11.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9917   -3.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0292   -4.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5500   -3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7417  -11.7292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1417   -3.3667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7792   -3.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8542   -8.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3625   -3.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -9.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6292   -4.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7125   -1.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5042   -1.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4292   -4.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7667  -12.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  9  3  0  0  0  0
  8  3  1  0  0  0  0
  9 14  1  0  0  0  0
 10  6  1  0  0  0  0
 11  6  2  0  0  0  0
 12  8  2  0  0  0  0
 13 10  1  0  0  0  0
 14 18  1  0  0  0  0
 15  2  1  0  0  0  0
 16 13  1  0  0  0  0
 17  5  1  0  0  0  0
 18 21  2  0  0  0  0
 19 20  1  0  0  0  0
 20 16  2  0  0  0  0
 21 16  1  0  0  0  0
 22  8  1  0  0  0  0
  3  5  2  0  0  0  0
 14 19  2  0  0  0  0
M  END
>  <Mol_ID> (1,406)
1406

>  <Formula> (1,406)
C17H16N2O3

>  <MolWeight> (1,406)
296.32054

>  <COMPOUND_NAME> (1,406)
WAY-347187

>  <BAR_CODE_NO> (1,406)
2557425

$$$$
WAY-347188
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   14.5750   -3.3667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0667   -1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2125   -0.3667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2125   -2.7375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1042   -2.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8167   -2.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2167   -4.1792    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.8167   -0.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6667   -4.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8750   -2.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5500   -3.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -3.9542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3792   -1.8292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5375   -1.5417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.1500   -5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6125   -4.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3167   -2.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6292   -1.5250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5500   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792   -2.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792   -0.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0125   -3.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9167   -5.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208   -4.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2833   -5.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 14  1  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  5  1  0  0  0  0
  8  3  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11  6  2  0  0  0  0
 12  1  2  0  0  0  0
 13  1  2  0  0  0  0
 14 17  1  0  0  0  0
 15 16  1  0  0  0  0
 16  1  1  0  0  0  0
 17 10  1  0  0  0  0
 18 10  2  0  0  0  0
 19  8  2  0  0  0  0
 20 11  1  0  0  0  0
 21 19  1  0  0  0  0
 22 20  1  0  0  0  0
 23  9  1  0  0  0  0
 24 22  1  0  0  0  0
 25 24  1  0  0  0  0
 15  7  1  0  0  0  0
  8  6  1  0  0  0  0
 21 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,407)
1407

>  <Formula> (1,407)
C16H21N3O4S2

>  <MolWeight> (1,407)
383.48564

>  <COMPOUND_NAME> (1,407)
WAY-347188

>  <BAR_CODE_NO> (1,407)
2557426

$$$$
WAY-347197
csChFnd80/06171916322D

 19 20  0  0  0  0  0  0  0  0999 V2000
    4.8788    3.4558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4053    0.9486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2810    3.4539    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9793    2.2361    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.1805    4.6679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9393    8.2348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4536    0.0057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2549    8.1990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1729    2.2417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3757    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.6763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8309    4.6510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8919    5.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8761    7.0603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3684    2.0817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6790    0.7115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2482    6.9963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1646    5.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3181    9.3698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  8  1  0  0  0  0
  7  2  1  0  0  0  0
  8 14  1  0  0  0  0
  9  1  2  0  0  0  0
 10  2  2  0  0  0  0
 11  6  2  0  0  0  0
 12  5  2  0  0  0  0
 13  5  1  0  0  0  0
 14 17  1  0  0  0  0
 15  4  1  0  0  0  0
 16 15  1  0  0  0  0
 17 13  2  0  0  0  0
 18 12  1  0  0  0  0
 19  6  1  0  0  0  0
 18 14  2  0  0  0  0
 16  7  1  0  0  0  0
M  END
>  <Mol_ID> (1,408)
1408

>  <Formula> (1,408)
C13H13NO5

>  <MolWeight> (1,408)
263.24602

>  <COMPOUND_NAME> (1,408)
WAY-347197

>  <BAR_CODE_NO> (1,408)
2557405

$$$$
WAY-347285
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
    9.0250   -7.7375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7417   -8.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6667   -7.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0917  -10.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0292   -8.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1667   -9.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2292  -11.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7292  -10.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8750   -9.9167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1667   -8.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8750  -11.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8125   -8.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1000   -8.8667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.9667   -6.6167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8042  -10.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2250  -12.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6667   -6.5417    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   15.9375  -12.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8125   -7.5542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2875  -13.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9292  -13.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6667   -9.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0792  -11.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6667   -5.3167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0167   -6.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9542   -5.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -14.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0167  -10.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7250  -11.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6000   -4.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6 15  1  0  0  0  0
  7 11  1  0  0  0  0
  8  5  1  0  0  0  0
  9 10  1  0  0  0  0
 10 12  1  0  0  0  0
 11  6  1  0  0  0  0
 12  6  2  0  0  0  0
 13  2  1  0  0  0  0
 14  3  2  0  0  0  0
 15 13  1  0  0  0  0
 16 11  2  0  0  0  0
 17  1  1  0  0  0  0
 18  7  2  0  0  0  0
 19 10  2  0  0  0  0
 20 21  2  0  0  0  0
 21 16  1  0  0  0  0
 22  5  2  0  0  0  0
 23  8  2  0  0  0  0
 24 25  1  0  0  0  0
 25 17  1  0  0  0  0
 26 17  1  0  0  0  0
 27 20  1  0  0  0  0
 28 22  1  0  0  0  0
 29 28  2  0  0  0  0
 30 26  1  0  0  0  0
  8  4  1  0  0  0  0
 23 29  1  0  0  0  0
  7  9  1  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,409)
1409

>  <Formula> (1,409)
C23H22N2O4S

>  <MolWeight> (1,409)
422.49678

>  <COMPOUND_NAME> (1,409)
WAY-347285

>  <BAR_CODE_NO> (1,409)
2561464

$$$$
WAY-347288
csChFnd80/06171916322D

 22 23  0  0  0  0  0  0  0  0999 V2000
    6.5792   -7.1667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.0042   -7.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8375   -7.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1542   -6.4500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2667   -8.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3042   -6.7417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8542   -7.5917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3167   -6.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6000   -8.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3917  -10.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8000  -10.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6292  -10.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6042   -6.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6042   -6.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0292   -9.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8625   -9.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8292  -11.5292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2417   -7.1625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1042   -8.5667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5667  -10.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0667   -7.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5417   -9.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  2  0  0  0  0
  7  1  2  0  0  0  0
  8  4  1  0  0  0  0
  9  2  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 15  1  0  0  0  0
 13  8  1  0  0  0  0
 14  8  1  0  0  0  0
 15  9  2  0  0  0  0
 16 15  1  0  0  0  0
 17 10  2  0  0  0  0
 18  3  1  0  0  0  0
 19  5  1  0  0  0  0
 20 10  1  0  0  0  0
 21 18  1  0  0  0  0
 22 19  1  0  0  0  0
 14 13  1  0  0  0  0
  5 16  2  0  0  0  0
M  END
>  <Mol_ID> (1,410)
1410

>  <Formula> (1,410)
C14H17NO6S

>  <MolWeight> (1,410)
327.35288

>  <COMPOUND_NAME> (1,410)
WAY-347288

>  <BAR_CODE_NO> (1,410)
2561467

$$$$
WAY-347316
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   10.2042  -11.2875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.1917   -9.7625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5750   -3.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542   -5.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2167   -6.6542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292   -2.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2875   -2.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2417   -5.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2083   -4.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6875  -12.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7375  -10.2667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0417   -8.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3292   -9.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2292  -12.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4125   -3.6042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.3500   -8.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0542   -6.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3917   -5.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1042   -3.4625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4042  -14.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0500  -12.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4167  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0625  -14.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2417  -15.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3 15  1  0  0  0  0
  4  3  1  0  0  0  0
  5 16  1  0  0  0  0
  6  3  2  0  0  0  0
  7  6  1  0  0  0  0
  8  5  1  0  0  0  0
  9  4  1  0  0  0  0
 10  1  2  0  0  0  0
 11  1  2  0  0  0  0
 12  2  1  0  0  0  0
 13  2  1  0  0  0  0
 14  1  1  0  0  0  0
 15 18  1  0  0  0  0
 16 13  1  0  0  0  0
 17 12  1  0  0  0  0
 18  8  1  0  0  0  0
 19  8  2  0  0  0  0
 20 14  1  0  0  0  0
 21 14  2  0  0  0  0
 22 20  2  0  0  0  0
 23 21  1  0  0  0  0
 24 23  2  0  0  0  0
 17  5  1  0  0  0  0
 22 24  1  0  0  0  0
  7  9  2  0  0  0  0
M  END
>  <Mol_ID> (1,411)
1411

>  <Formula> (1,411)
C14H17N5O3S2

>  <MolWeight> (1,411)
367.44648

>  <COMPOUND_NAME> (1,411)
WAY-347316

>  <BAR_CODE_NO> (1,411)
2557465

$$$$
WAY-347339
csChFnd80/06171916322D

 20 21  0  0  0  0  0  0  0  0999 V2000
    7.0094    3.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2972    4.8221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3214    2.3945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8046    6.0084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1035    7.2232    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9059    4.8155    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4073    3.6315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0314    1.1863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1937    6.0061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9851    6.0414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1079    4.8023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4337    1.2039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9191    2.3681    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.1217    2.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1459    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7055    7.2232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8046    8.4293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1101    9.6464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7012    9.6442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  9  1  0  0  0  0
  5  4  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  2  0  0  0  0
  8  3  2  0  0  0  0
  9  6  1  0  0  0  0
 10  2  2  0  0  0  0
 11  4  2  0  0  0  0
 12 14  2  0  0  0  0
 13  3  1  0  0  0  0
 14  7  1  0  0  0  0
 15 12  1  0  0  0  0
 16  5  1  0  0  0  0
 17  5  1  0  0  0  0
 18 16  1  0  0  0  0
 19 17  1  0  0  0  0
 20 19  1  0  0  0  0
 12  8  1  0  0  0  0
 20 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,412)
1412

>  <Formula> (1,412)
C14H16Cl2N2O2

>  <MolWeight> (1,412)
315.19504

>  <COMPOUND_NAME> (1,412)
WAY-347339

>  <BAR_CODE_NO> (1,412)
2557461

$$$$
WAY-347363
csChFnd80/06171916322D

 22 25  0  0  0  0  0  0  0  0999 V2000
   11.4042   -5.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0167   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4042   -6.8667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0042   -4.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7917   -2.0542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6250   -2.2417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0042   -7.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5917   -5.0042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.1750   -4.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1500   -5.7292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.6125   -6.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0000   -9.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9750   -2.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3250   -5.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2125   -3.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5750  -10.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4042  -10.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5375  -12.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3667  -12.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9417  -13.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9167  -15.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3250  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  2  0  0  0  0
  6  4  2  0  0  0  0
  7  3  2  0  0  0  0
  8  4  1  0  0  0  0
  9  2  1  0  0  0  0
 10  9  1  0  0  0  0
 11  8  1  0  0  0  0
 12  7  1  0  0  0  0
 13  9  2  0  0  0  0
 14 10  1  0  0  0  0
 15 13  1  0  0  0  0
 16 12  1  0  0  0  0
 17 12  2  0  0  0  0
 18 16  2  0  0  0  0
 19 17  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
  6  5  1  0  0  0  0
  7 11  1  0  0  0  0
 15 14  2  0  0  0  0
 20 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,413)
1413

>  <Formula> (1,413)
C16H14N4S2

>  <MolWeight> (1,413)
326.43916

>  <COMPOUND_NAME> (1,413)
WAY-347363

>  <BAR_CODE_NO> (1,413)
2557490

$$$$
WAY-347385
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
    9.0917   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4167   -5.0417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4167   -3.1917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3292   -3.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3292   -4.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3417   -2.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9542   -5.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2375   -4.1292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.1000   -7.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5250   -8.2542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5250   -6.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.9875   -6.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7167   -8.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5250   -4.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3417   -5.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3417   -3.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8042   -5.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0917   -7.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3417   -4.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3417   -2.9750    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7 18  1  0  0  0  0
  8  1  1  0  0  0  0
  9 19  1  0  0  0  0
 10  9  1  0  0  0  0
 11  7  1  0  0  0  0
 12  9  2  0  0  0  0
 13 10  1  0  0  0  0
 14 12  1  0  0  0  0
 15  7  2  0  0  0  0
 16  5  1  0  0  0  0
 17  6  2  0  0  0  0
 18  8  1  0  0  0  0
 19 11  1  0  0  0  0
 20 16  2  0  0  0  0
 21 17  1  0  0  0  0
  4  5  2  0  0  0  0
 17 20  1  0  0  0  0
 14 13  2  0  0  0  0
M  END
>  <Mol_ID> (1,414)
1414

>  <Formula> (1,414)
C14H12ClN3O2S

>  <MolWeight> (1,414)
321.78198

>  <COMPOUND_NAME> (1,414)
WAY-347385

>  <BAR_CODE_NO> (1,414)
2557538

$$$$
WAY-347392
csChFnd80/06171916322D

 28 30  0  0  0  0  0  0  0  0999 V2000
   10.2667  -10.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0917  -12.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3917  -10.9667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.7250  -13.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0542  -12.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1792   -9.0417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4917   -2.8125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9625  -12.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2000   -7.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6667   -1.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3292   -5.8417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3042   -7.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3292   -2.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5875   -4.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1917  -11.3167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8417   -1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1042   -5.7667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1542   -4.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4917   -5.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5917  -14.5542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8167   -3.1750    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.9792  -15.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3542  -13.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5542    0.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9417    0.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3625  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6542    1.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8250    1.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7 14  1  0  0  0  0
  8  2  1  0  0  0  0
  9  6  1  0  0  0  0
 10  7  1  0  0  0  0
 11 12  1  0  0  0  0
 12  9  1  0  0  0  0
 13 18  1  0  0  0  0
 14 19  1  0  0  0  0
 15  8  2  0  0  0  0
 16 10  2  0  0  0  0
 17  9  2  0  0  0  0
 18 11  1  0  0  0  0
 19 11  1  0  0  0  0
 20  8  1  0  0  0  0
 21 16  1  0  0  0  0
 22  4  1  0  0  0  0
 23  5  1  0  0  0  0
 24 10  1  0  0  0  0
 25 16  1  0  0  0  0
 26 20  1  0  0  0  0
 27 24  2  0  0  0  0
 28 27  1  0  0  0  0
  4  5  2  0  0  0  0
  7 13  1  0  0  0  0
 25 28  2  0  0  0  0
M  END
>  <Mol_ID> (1,415)
1415

>  <Formula> (1,415)
C20H24ClN3O3S

>  <MolWeight> (1,415)
421.94086

>  <COMPOUND_NAME> (1,415)
WAY-347392

>  <BAR_CODE_NO> (1,415)
2557701

$$$$
WAY-347441
csChFnd80/06171916322D

 29 31  0  0  0  0  0  0  0  0999 V2000
   14.1792   -6.8417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000   -5.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8792   -5.6042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4417   -6.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7667   -3.5375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1417   -4.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0000   -6.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3625   -6.8917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0875   -6.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1292   -8.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2292   -5.6542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0000   -1.5292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6250   -6.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9667   -4.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8167   -7.6542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9375   -3.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2125   -2.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4500   -5.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3667   -7.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2625   -5.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1792   -7.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9167   -6.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8292   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5625   -2.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3542   -5.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3000   -7.5417    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.6167   -0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9125   -7.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -5.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4 13  1  0  0  0  0
  5  6  1  0  0  0  0
  6  2  2  0  0  0  0
  7  1  1  0  0  0  0
  8  1  1  0  0  0  0
  9  2  1  0  0  0  0
 10  1  2  0  0  0  0
 11  1  2  0  0  0  0
 12 23  1  0  0  0  0
 13 21  1  0  0  0  0
 14  6  1  0  0  0  0
 15  4  2  0  0  0  0
 16  5  1  0  0  0  0
 17  5  1  0  0  0  0
 18  7  2  0  0  0  0
 19  7  1  0  0  0  0
 20 18  1  0  0  0  0
 21 19  2  0  0  0  0
 22  9  2  0  0  0  0
 23 17  1  0  0  0  0
 24 16  1  0  0  0  0
 25 22  1  0  0  0  0
 26 22  1  0  0  0  0
 27 12  1  0  0  0  0
 28  8  1  0  0  0  0
 29  8  1  0  0  0  0
 20 13  2  0  0  0  0
 14 25  2  0  0  0  0
 24 12  1  0  0  0  0
M  END
>  <Mol_ID> (1,416)
1416

>  <Formula> (1,416)
C20H25ClN4O3S

>  <MolWeight> (1,416)
436.9555

>  <COMPOUND_NAME> (1,416)
WAY-347441

>  <BAR_CODE_NO> (1,416)
2557583

$$$$
WAY-347462
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   11.3667   -6.6125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3417   -7.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1542   -6.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3500   -7.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0792   -8.2917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.0292   -7.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5292   -5.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4125   -5.9917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4167   -4.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3875   -8.7375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.7667   -6.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8042   -4.8750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3417   -8.2750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5625   -3.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1667   -3.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9292   -5.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8292   -4.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1125   -4.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0792   -5.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1542   -3.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4542   -4.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4792   -3.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -3.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  6  1  0  0  0  0
  9  7  1  0  0  0  0
 10  4  2  0  0  0  0
 11  7  2  0  0  0  0
 12  3  1  0  0  0  0
 13  6  2  0  0  0  0
 14  9  2  0  0  0  0
 15 21  1  0  0  0  0
 16 11  1  0  0  0  0
 17 16  2  0  0  0  0
 18  8  1  0  0  0  0
 19  8  1  0  0  0  0
 20  9  1  0  0  0  0
 21 19  1  0  0  0  0
 22 18  1  0  0  0  0
 23 17  1  0  0  0  0
  2  5  1  0  0  0  0
 17 14  1  0  0  0  0
 15 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,417)
1417

>  <Formula> (1,417)
C16H19N3O2S2

>  <MolWeight> (1,417)
349.47096

>  <COMPOUND_NAME> (1,417)
WAY-347462

>  <BAR_CODE_NO> (1,417)
2558321

$$$$
WAY-347476
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
    8.6667   -4.3667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6250   -4.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6667   -5.8625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3542   -5.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7417   -6.1542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7750   -7.0667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.3667   -8.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4750   -5.2042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.8042   -7.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6667   -4.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1792   -6.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4792   -7.9875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9750   -3.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7125   -5.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0625   -6.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0667   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7000   -4.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6917   -3.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3792   -1.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7667   -9.1417    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.7667   -3.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7375   -2.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7417   -4.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -2.4667    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   14.3042   -6.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4292   -6.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6 11  1  0  0  0  0
  7  9  1  0  0  0  0
  8  4  1  0  0  0  0
  9  6  1  0  0  0  0
 10  2  1  0  0  0  0
 11 15  1  0  0  0  0
 12  7  2  0  0  0  0
 13  1  1  0  0  0  0
 14 11  2  0  0  0  0
 15  8  1  0  0  0  0
 16 13  1  0  0  0  0
 17 10  1  0  0  0  0
 18 10  2  0  0  0  0
 19 16  2  0  0  0  0
 20  7  1  0  0  0  0
 21 22  2  0  0  0  0
 22 18  1  0  0  0  0
 23 17  2  0  0  0  0
 24 21  1  0  0  0  0
 25  9  2  0  0  0  0
 26 27  2  0  0  0  0
 27 25  1  0  0  0  0
  5  3  1  0  0  0  0
 21 23  1  0  0  0  0
 12 26  1  0  0  0  0
M  END
>  <Mol_ID> (1,418)
1418

>  <Formula> (1,418)
C18H15Cl2N5OS

>  <MolWeight> (1,418)
420.3156

>  <COMPOUND_NAME> (1,418)
WAY-347476

>  <BAR_CODE_NO> (1,418)
2557606

$$$$
WAY-347639
csChFnd80/06171916322D

 32 35  0  0  0  0  0  0  0  0999 V2000
    6.0042   -0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2167   -2.9667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.3292    0.0333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3125   -1.8542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2167   -0.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2167   -1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1750   -0.9000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.0375   -2.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4042   -2.9792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.2125   -4.1542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2292   -1.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9292   -1.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6792    1.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5042   -2.9167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5125   -0.9042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7542   -1.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4667   -1.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4375   -3.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7000   -2.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2917   -1.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2667   -3.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2292    0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2167   -2.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -1.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9792   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9042    2.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8167    1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2125   -0.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2125   -1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1792    2.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2542    3.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4042    3.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  8  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  7  1  1  0  0  0  0
  8 18  1  0  0  0  0
  9  2  1  0  0  0  0
 10  2  2  0  0  0  0
 11  2  2  0  0  0  0
 12 16  1  0  0  0  0
 13  3  1  0  0  0  0
 14 12  1  0  0  0  0
 15 12  2  0  0  0  0
 16  7  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  2  0  0  0  0
 19 14  1  0  0  0  0
 20 19  2  0  0  0  0
 21 19  1  0  0  0  0
 22  5  1  0  0  0  0
 23  6  1  0  0  0  0
 24  9  1  0  0  0  0
 25  9  1  0  0  0  0
 26 13  2  0  0  0  0
 27 13  1  0  0  0  0
 28 22  2  0  0  0  0
 29 23  2  0  0  0  0
 30 27  2  0  0  0  0
 31 26  1  0  0  0  0
 32 30  1  0  0  0  0
  5  6  2  0  0  0  0
 28 29  1  0  0  0  0
 32 31  2  0  0  0  0
 17  8  2  0  0  0  0
M  END
>  <Mol_ID> (1,419)
1419

>  <Formula> (1,419)
C23H22N4O3S2

>  <MolWeight> (1,419)
466.57578

>  <COMPOUND_NAME> (1,419)
WAY-347639

>  <BAR_CODE_NO> (1,419)
2557785

$$$$
WAY-347660
csChFnd80/06171916322D

 21 22  0  0  0  0  0  0  0  0999 V2000
   14.0250  -11.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5542   -8.7917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3667  -10.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4167  -13.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1917   -9.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1042  -10.9250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.2875  -11.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0750  -14.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4500   -9.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2917   -8.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1792   -7.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9667   -9.7917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5792  -10.9750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3375  -14.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1500  -13.1292    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   15.9417  -13.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -15.2167    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.5292   -6.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6375   -7.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2417   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5917   -5.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  9  1  0  0  0  0
  6  3  1  0  0  0  0
  7  1  2  0  0  0  0
  8  4  2  0  0  0  0
  9  6  1  0  0  0  0
 10  2  1  0  0  0  0
 11  2  1  0  0  0  0
 12  3  2  0  0  0  0
 13  5  2  0  0  0  0
 14 16  2  0  0  0  0
 15  4  1  0  0  0  0
 16  7  1  0  0  0  0
 17 14  1  0  0  0  0
 18 11  1  0  0  0  0
 19 10  1  0  0  0  0
 20 18  1  0  0  0  0
 21 20  1  0  0  0  0
 14  8  1  0  0  0  0
 20 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,420)
1420

>  <Formula> (1,420)
C15H18Cl2N2O2

>  <MolWeight> (1,420)
329.22162

>  <COMPOUND_NAME> (1,420)
WAY-347660

>  <BAR_CODE_NO> (1,420)
2557823

$$$$
WAY-347675
csChFnd80/06171916322D

 19 20  0  0  0  0  0  0  0  0999 V2000
    2.1917   -4.3042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.5125   -3.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917   -2.3792    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.1667   -5.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0167   -7.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0125  -12.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1042   -5.9542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9917   -9.2792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9667  -10.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2125   -7.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9917  -14.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9542   -5.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0792   -7.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9500  -14.2667    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.1542   -0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0792  -12.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0375  -15.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1167  -14.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1042  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5 13  1  0  0  0  0
  6  9  1  0  0  0  0
  7  4  1  0  0  0  0
  8  5  1  0  0  0  0
  9  8  1  0  0  0  0
 10  4  2  0  0  0  0
 11  6  2  0  0  0  0
 12  5  2  0  0  0  0
 13  7  1  0  0  0  0
 14 11  1  0  0  0  0
 15  3  1  0  0  0  0
 16  6  1  0  0  0  0
 17 11  1  0  0  0  0
 18 16  2  0  0  0  0
 19 18  1  0  0  0  0
  2  3  1  0  0  0  0
 19 17  2  0  0  0  0
M  END
>  <Mol_ID> (1,421)
1421

>  <Formula> (1,421)
C14H16ClNO3

>  <MolWeight> (1,421)
281.73474

>  <COMPOUND_NAME> (1,421)
WAY-347675

>  <BAR_CODE_NO> (1,421)
2558112

$$$$
WAY-347759
csChFnd80/06171916322D

 18 20  0  0  0  0  0  0  0  0999 V2000
    4.4500   -1.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8917   -2.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3917   -1.5042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8917   -0.7417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.8542   -2.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -1.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -1.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1792   -0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8000   -2.3250    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.3875   -3.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3542   -1.5542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1792   -2.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667   -1.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667   -1.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5500   -0.5625    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.2500   -1.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3542   -3.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2500   -2.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  7  2  1  0  0  0  0
  8  6  2  0  0  0  0
  9  5  1  0  0  0  0
 10  5  2  0  0  0  0
 11  9  1  0  0  0  0
 12  7  2  0  0  0  0
 13  8  1  0  0  0  0
 14 12  1  0  0  0  0
 15 13  1  0  0  0  0
 16 11  1  0  0  0  0
 17  9  1  0  0  0  0
 18 17  1  0  0  0  0
  7  6  1  0  0  0  0
 14 13  2  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,422)
1422

>  <Formula> (1,422)
C12H11ClN2O2S

>  <MolWeight> (1,422)
282.74594

>  <COMPOUND_NAME> (1,422)
WAY-347759

>  <BAR_CODE_NO> (1,422)
2557942

$$$$
WAY-347787
csChFnd80/06171916322D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -4.2708   -7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4458   -5.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9625   -3.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8417   -5.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542   -9.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8583   -7.7167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8417   -1.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9417  -11.9292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5000   -9.7667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2458   -3.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9542   -7.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9917  -16.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4458   -1.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6750   -9.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2667   -3.6167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1667    0.8333    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.1375  -14.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5792  -14.0417    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.2792  -15.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0167  -12.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2667  -12.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  2  2  0  0  0  0
  5 14  1  0  0  0  0
  6  1  1  0  0  0  0
  7 13  1  0  0  0  0
  8  5  1  0  0  0  0
  9  1  2  0  0  0  0
 10  2  1  0  0  0  0
 11  5  2  0  0  0  0
 12 18  1  0  0  0  0
 13 10  2  0  0  0  0
 14  6  1  0  0  0  0
 15  3  1  0  0  0  0
 16  7  1  0  0  0  0
 17  8  1  0  0  0  0
 18 17  1  0  0  0  0
 19 12  1  0  0  0  0
 20 18  1  0  0  0  0
 21 20  1  0  0  0  0
  7  3  2  0  0  0  0
 21 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,423)
1423

>  <Formula> (1,423)
C14H17ClN2O4

>  <MolWeight> (1,423)
312.74878

>  <COMPOUND_NAME> (1,423)
WAY-347787

>  <BAR_CODE_NO> (1,423)
2558030

$$$$
WAY-348461
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
   12.3292  -11.7625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7167  -12.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7125  -10.7042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.4792  -10.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5625  -11.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3292  -13.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3250   -9.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8667   -9.6542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.1667  -10.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5417   -9.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9542  -15.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4917  -12.8417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8750  -11.7667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5542  -13.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9417  -15.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9375  -15.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6417   -9.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3875  -10.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1500   -8.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0167  -10.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0250   -8.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3792   -8.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -9.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7875  -10.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7875   -8.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1667   -9.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  1  0  0  0  0
  9  5  1  0  0  0  0
 10  9  1  0  0  0  0
 11  6  1  0  0  0  0
 12  2  2  0  0  0  0
 13  4  2  0  0  0  0
 14  6  2  0  0  0  0
 15 11  1  0  0  0  0
 16 14  1  0  0  0  0
 17  8  1  0  0  0  0
 18  9  2  0  0  0  0
 19 10  2  0  0  0  0
 20 17  1  0  0  0  0
 21 17  2  0  0  0  0
 22 23  2  0  0  0  0
 23 18  1  0  0  0  0
 24 20  2  0  0  0  0
 25 21  1  0  0  0  0
 26 25  2  0  0  0  0
 10  7  1  0  0  0  0
 16 15  2  0  0  0  0
 19 22  1  0  0  0  0
 26 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,424)
1424

>  <Formula> (1,424)
C21H18N2O3

>  <MolWeight> (1,424)
346.37922

>  <COMPOUND_NAME> (1,424)
WAY-348461

>  <BAR_CODE_NO> (1,424)
2558678

$$$$
WAY-348544
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
   12.4250  -10.6292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.8250   -8.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2167   -8.8500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8417   -8.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9417  -11.5125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2167   -7.1917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3542   -8.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9042   -9.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9667  -11.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2417   -8.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2500   -7.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3042  -10.1042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5417  -11.1542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3667   -8.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8792   -9.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4625  -10.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8542   -9.7625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4792  -10.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9917   -9.7250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.4500  -12.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4042   -8.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4750  -12.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8750   -7.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8917   -7.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4917  -12.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3625   -9.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3542   -6.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -11.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4667   -8.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4625   -7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  2  2  0  0  0  0
  4  7  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7 14  1  0  0  0  0
  8  1  1  0  0  0  0
  9  5  1  0  0  0  0
 10  3  1  0  0  0  0
 11  6  1  0  0  0  0
 12  1  2  0  0  0  0
 13  1  2  0  0  0  0
 14 15  2  0  0  0  0
 15  8  1  0  0  0  0
 16  9  2  0  0  0  0
 17  7  2  0  0  0  0
 18 16  1  0  0  0  0
 19 18  1  0  0  0  0
 20  5  1  0  0  0  0
 21  8  2  0  0  0  0
 22  9  1  0  0  0  0
 23 24  2  0  0  0  0
 24 21  1  0  0  0  0
 25 22  2  0  0  0  0
 26 10  2  0  0  0  0
 27 11  2  0  0  0  0
 28 25  1  0  0  0  0
 29 26  1  0  0  0  0
 30 27  1  0  0  0  0
 23 14  1  0  0  0  0
 28 18  2  0  0  0  0
 10 11  1  0  0  0  0
 29 30  2  0  0  0  0
M  END
>  <Mol_ID> (1,425)
1425

>  <Formula> (1,425)
C21H17ClN4O3S

>  <MolWeight> (1,425)
440.90268

>  <COMPOUND_NAME> (1,425)
WAY-348544

>  <BAR_CODE_NO> (1,425)
2558767

$$$$
WAY-348605
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
    8.1000   -4.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6917   -5.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8792   -4.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0667   -6.3292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2667   -5.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7042   -3.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8625   -6.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9125   -5.2917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.2875   -3.1542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7250   -6.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9875   -8.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4292   -9.6792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3250   -7.4167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9292   -3.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1167   -2.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9292   -7.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7000   -9.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3292   -5.3167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5042   -6.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9250   -8.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0542   -5.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2417   -7.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9417   -1.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7292   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5417   -2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9000   -2.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0667   -3.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4375   -6.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0292   -7.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  5  1  0  0  0  0
  8  2  1  0  0  0  0
  9  3  2  0  0  0  0
 10 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 11  1  0  0  0  0
 13 10  1  0  0  0  0
 14  6  2  0  0  0  0
 15  6  1  0  0  0  0
 16 11  2  0  0  0  0
 17 12  1  0  0  0  0
 18 16  1  0  0  0  0
 19 10  2  0  0  0  0
 20  8  1  0  0  0  0
 21 13  1  0  0  0  0
 22  5  2  0  0  0  0
 23  7  2  0  0  0  0
 24 25  1  0  0  0  0
 25 15  2  0  0  0  0
 26 14  1  0  0  0  0
 27 15  1  0  0  0  0
 28 14  1  0  0  0  0
 29 22  1  0  0  0  0
 30 29  2  0  0  0  0
 26 24  2  0  0  0  0
  4  7  1  0  0  0  0
 30 23  1  0  0  0  0
 18 17  2  0  0  0  0
M  END
>  <Mol_ID> (1,426)
1426

>  <Formula> (1,426)
C23H21N3O3S

>  <MolWeight> (1,426)
419.49614

>  <COMPOUND_NAME> (1,426)
WAY-348605

>  <BAR_CODE_NO> (1,426)
2558810

$$$$
WAY-348713
csChFnd80/06171916322D

 19 20  0  0  0  0  0  0  0  0999 V2000
    1.2269    8.3541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9343    7.1471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7845    3.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0992    4.7861    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2336    9.7446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.0284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4161    5.9533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3425    7.1559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2215    3.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1213    2.4185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2380    5.9224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0727    7.1205    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9510    2.4870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0522    5.9423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8442    1.2114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2767    1.2468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8648    4.8524    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2142    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9518    6.3800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  7  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7 14  1  0  0  0  0
  8  2  1  0  0  0  0
  9  3  2  0  0  0  0
 10  3  1  0  0  0  0
 11  2  2  0  0  0  0
 12  7  2  0  0  0  0
 13  9  1  0  0  0  0
 14  8  1  0  0  0  0
 15 10  2  0  0  0  0
 16 15  1  0  0  0  0
 17  9  1  0  0  0  0
 18 15  1  0  0  0  0
 19 17  1  0  0  0  0
  6  5  1  0  0  0  0
 16 13  2  0  0  0  0
M  END
>  <Mol_ID> (1,427)
1427

>  <Formula> (1,427)
C14H17NO4

>  <MolWeight> (1,427)
263.28908

>  <COMPOUND_NAME> (1,427)
WAY-348713

>  <BAR_CODE_NO> (1,427)
2558952

$$$$
WAY-348718
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
    7.2375   -4.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3417   -4.5417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2792   -6.1042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0625   -5.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000   -6.4292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2375   -4.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6292   -7.3792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.2917   -8.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2292   -5.4292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.7042   -7.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0125   -6.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2667   -3.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4542   -8.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6667   -3.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5667   -5.3542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8417   -6.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8625   -2.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1792   -1.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6542   -9.5500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.3042   -2.5875    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.2167   -4.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2292   -6.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2750   -2.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2167   -4.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4042   -6.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2417   -3.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7 11  1  0  0  0  0
  8 10  1  0  0  0  0
  9  4  1  0  0  0  0
 10  7  1  0  0  0  0
 11 16  1  0  0  0  0
 12  6  1  0  0  0  0
 13  8  2  0  0  0  0
 14  2  1  0  0  0  0
 15 11  2  0  0  0  0
 16  9  1  0  0  0  0
 17 14  1  0  0  0  0
 18 17  2  0  0  0  0
 19  8  1  0  0  0  0
 20 12  1  0  0  0  0
 21  6  2  0  0  0  0
 22 10  2  0  0  0  0
 23 26  2  0  0  0  0
 24 12  2  0  0  0  0
 25 21  1  0  0  0  0
 26 22  1  0  0  0  0
 27 25  2  0  0  0  0
  5  4  2  0  0  0  0
 24 27  1  0  0  0  0
 13 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,428)
1428

>  <Formula> (1,428)
C18H15ClFN5OS

>  <MolWeight> (1,428)
403.8610032

>  <COMPOUND_NAME> (1,428)
WAY-348718

>  <BAR_CODE_NO> (1,428)
2558958

$$$$
WAY-348818
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
   12.4917   -6.2750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8792   -5.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6542   -6.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4042  -10.3667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1750   -3.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9750   -9.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3375   -3.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5917   -4.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5750   -2.3292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7042   -5.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2667   -7.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4250   -4.3792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1125   -4.3000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.4417   -4.2542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9417   -4.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1917   -5.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5375   -8.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9292   -7.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3667   -5.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6875   -8.2792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2167   -5.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4042   -2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8292   -3.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4375   -7.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2917   -9.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3917   -5.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  6  3  0  0  0  0
  5  7  1  0  0  0  0
  6 17  1  0  0  0  0
  7 15  2  0  0  0  0
  8 16  1  0  0  0  0
  9  5  1  0  0  0  0
 10  2  1  0  0  0  0
 11  3  1  0  0  0  0
 12  8  1  0  0  0  0
 13 10  1  0  0  0  0
 14  2  2  0  0  0  0
 15 13  1  0  0  0  0
 16 19  2  0  0  0  0
 17 18  1  0  0  0  0
 18  1  1  0  0  0  0
 19 15  1  0  0  0  0
 20 11  1  0  0  0  0
 21  3  2  0  0  0  0
 22  9  1  0  0  0  0
 23 12  1  0  0  0  0
 24 11  2  0  0  0  0
 25 20  1  0  0  0  0
 26 21  1  0  0  0  0
 27 26  2  0  0  0  0
 27 24  1  0  0  0  0
  5  8  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,429)
1429

>  <Formula> (1,429)
C20H20N2O4S

>  <MolWeight> (1,429)
384.4488

>  <COMPOUND_NAME> (1,429)
WAY-348818

>  <BAR_CODE_NO> (1,429)
2559468

$$$$
WAY-348838
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    9.1542   -4.5417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9417   -4.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9417   -6.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9000   -5.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1417   -6.6042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0167   -8.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5042  -10.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6917   -7.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.7500  -10.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7625   -8.9917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -10.6667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1667   -5.5750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.0792   -6.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5292  -10.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4625  -10.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8875   -4.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7375   -5.5917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8042   -6.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5500   -3.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7417   -4.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9792   -2.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9375   -2.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6917   -4.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7792   -2.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  8  1  0  0  0  0
  7  6  2  0  0  0  0
  8 13  1  0  0  0  0
  9  7  1  0  0  0  0
 10  6  1  0  0  0  0
 11  9  3  0  0  0  0
 12  4  1  0  0  0  0
 13 18  1  0  0  0  0
 14  7  1  0  0  0  0
 15 10  1  0  0  0  0
 16  2  1  0  0  0  0
 17 13  2  0  0  0  0
 18 12  1  0  0  0  0
 19  1  1  0  0  0  0
 20 16  2  0  0  0  0
 21 16  1  0  0  0  0
 22 21  2  0  0  0  0
 23 20  1  0  0  0  0
 24 22  1  0  0  0  0
  3  5  1  0  0  0  0
 24 23  2  0  0  0  0
 15 14  2  0  0  0  0
M  END
>  <Mol_ID> (1,430)
1430

>  <Formula> (1,430)
C16H13N5OS2

>  <MolWeight> (1,430)
355.43732

>  <COMPOUND_NAME> (1,430)
WAY-348838

>  <BAR_CODE_NO> (1,430)
2559038

$$$$
WAY-348857
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    7.9042   -5.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8292   -5.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4792   -4.6417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4625   -6.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2167   -4.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3042   -6.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3292   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9417   -7.5167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6917   -8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3042   -7.4417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1417   -7.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7792   -8.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5375   -6.5625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.8625   -7.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6750   -6.5417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0667   -7.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3792   -7.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9250   -8.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3250   -9.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.3542    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   14.4000   -9.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3042   -2.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3625   -2.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  5  2  0  0  0  0
  8  4  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 16  1  0  0  0  0
 12  9  1  0  0  0  0
 13  4  1  0  0  0  0
 14  8  1  0  0  0  0
 15 11  2  0  0  0  0
 16 13  1  0  0  0  0
 17 10  1  0  0  0  0
 18 21  1  0  0  0  0
 19 12  1  0  0  0  0
 20 18  1  0  0  0  0
 21 19  2  0  0  0  0
 22  7  1  0  0  0  0
 23 22  1  0  0  0  0
  7  3  1  0  0  0  0
  6 14  2  0  0  0  0
 18 17  2  0  0  0  0
M  END
>  <Mol_ID> (1,431)
1431

>  <Formula> (1,431)
C15H13ClN4OS2

>  <MolWeight> (1,431)
364.87292

>  <COMPOUND_NAME> (1,431)
WAY-348857

>  <BAR_CODE_NO> (1,431)
2559057

$$$$
WAY-348864
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    6.9673    4.3554    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3708    3.1025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3493    4.1873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6187    2.8053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3934    2.1282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1420    8.0913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8123    6.8706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9819    2.8675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2959    5.2030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7417    8.1189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8699    9.2798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0821    5.6798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2878    5.5900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2149    6.8429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2633    9.2521    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.9120    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.8187    2.0798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3727    0.7255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8921    5.6176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7900   10.5327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1927   10.5005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0714    9.3374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7865    0.6772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5635    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  7  1  0  0  0  0
  7 14  1  0  0  0  0
  8  2  2  0  0  0  0
  9  3  2  0  0  0  0
 10  6  2  0  0  0  0
 11  6  1  0  0  0  0
 12  7  2  0  0  0  0
 13  1  1  0  0  0  0
 14 19  1  0  0  0  0
 15 11  1  0  0  0  0
 16 10  1  0  0  0  0
 17  4  1  0  0  0  0
 18  5  1  0  0  0  0
 19 13  1  0  0  0  0
 20 21  1  0  0  0  0
 21 11  2  0  0  0  0
 22 10  1  0  0  0  0
 23 17  2  0  0  0  0
 24 18  2  0  0  0  0
  5  4  2  0  0  0  0
 24 23  1  0  0  0  0
 22 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,432)
1432

>  <Formula> (1,432)
C17H11F2NO4

>  <MolWeight> (1,432)
331.2703464

>  <COMPOUND_NAME> (1,432)
WAY-348864

>  <BAR_CODE_NO> (1,432)
2559064

$$$$
WAY-348926
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    8.5667   -6.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7792   -6.8542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.1417   -9.9792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.5042   -8.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4167   -7.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9750   -7.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6000   -8.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9417   -5.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8250   -8.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7542   -7.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6417   -7.8875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.2750   -8.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1042   -7.8417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4250  -12.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7167   -5.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1250   -6.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3667  -10.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5667  -11.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0792   -4.8042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0042  -10.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -11.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2000  -12.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6667   -3.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4 12  1  0  0  0  0
  5  2  2  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  1  2  0  0  0  0
  9  7  2  0  0  0  0
 10  6  2  0  0  0  0
 11  5  1  0  0  0  0
 12 11  1  0  0  0  0
 13  4  2  0  0  0  0
 14 22  1  0  0  0  0
 15  8  1  0  0  0  0
 16 15  2  0  0  0  0
 17  3  1  0  0  0  0
 18  3  1  0  0  0  0
 19 15  1  0  0  0  0
 20  7  1  0  0  0  0
 21 17  1  0  0  0  0
 22 18  1  0  0  0  0
 23 19  1  0  0  0  0
 10 16  1  0  0  0  0
  5  9  1  0  0  0  0
 21 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,433)
1433

>  <Formula> (1,433)
C17H20N2O3S

>  <MolWeight> (1,433)
332.4173

>  <COMPOUND_NAME> (1,433)
WAY-348926

>  <BAR_CODE_NO> (1,433)
2559155

$$$$
WAY-349050
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   10.6042   -6.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3250   -7.9417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2750   -6.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5000   -7.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7000   -8.3375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.3292  -13.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -11.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1292   -8.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9042  -13.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9000   -9.4167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.8250  -14.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292   -7.0875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.5167  -14.5917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2375  -10.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7000  -15.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7792   -6.9417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0875   -5.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1417  -12.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6917   -8.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8042  -10.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1792   -4.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8042   -6.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  7  1  0  0  0  0
  7 14  2  0  0  0  0
  8 19  1  0  0  0  0
  9 18  1  0  0  0  0
 10  8  1  0  0  0  0
 11  6  1  0  0  0  0
 12  4  1  0  0  0  0
 13  9  1  0  0  0  0
 14 10  1  0  0  0  0
 15 11  1  0  0  0  0
 16  8  2  0  0  0  0
 17  3  1  0  0  0  0
 18 20  2  0  0  0  0
 19 12  1  0  0  0  0
 20 14  1  0  0  0  0
 21 17  1  0  0  0  0
 22 17  1  0  0  0  0
  5  2  1  0  0  0  0
  9  6  2  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <Mol_ID> (1,434)
1434

>  <Formula> (1,434)
C14H16N4O3S

>  <MolWeight> (1,434)
320.36684

>  <COMPOUND_NAME> (1,434)
WAY-349050

>  <BAR_CODE_NO> (1,434)
2559196

$$$$
WAY-349121
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    8.1042  -10.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3542   -9.9667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1167  -11.6917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1167  -11.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3750  -12.0792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.0292  -13.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0625   -9.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3792  -12.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4250  -11.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.1500   -8.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0750  -12.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917   -9.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3875  -14.3917    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   14.0292  -11.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9292   -7.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1042   -8.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3417  -13.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0667  -14.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0417  -15.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -14.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4042  -15.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3417  -15.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  8  1  0  0  0  0
  7  1  1  0  0  0  0
  8 11  1  0  0  0  0
  9  4  1  0  0  0  0
 10  7  1  0  0  0  0
 11  9  1  0  0  0  0
 12  7  2  0  0  0  0
 13  6  1  0  0  0  0
 14  8  2  0  0  0  0
 15 10  1  0  0  0  0
 16 12  1  0  0  0  0
 17  6  1  0  0  0  0
 18 13  1  0  0  0  0
 19 13  1  0  0  0  0
 20 17  1  0  0  0  0
 21 18  1  0  0  0  0
 22 20  1  0  0  0  0
  4  5  2  0  0  0  0
 16 15  2  0  0  0  0
 19 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,435)
1435

>  <Formula> (1,435)
C15H19N3O3S

>  <MolWeight> (1,435)
321.39466

>  <COMPOUND_NAME> (1,435)
WAY-349121

>  <BAR_CODE_NO> (1,435)
2559829

$$$$
WAY-349160
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   11.7542  -11.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9167  -11.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1625  -12.9250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2875  -12.7542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.1667  -13.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1542  -10.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9875  -10.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4042   -9.6750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2292   -9.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6375   -8.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6875  -10.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4125  -11.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4625   -8.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3125   -9.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8375  -11.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6042  -10.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0792   -8.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2292   -9.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6625  -10.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0625  -14.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4750  -10.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2000   -7.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8792   -9.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8542   -7.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11  2  1  0  0  0  0
 12  7  2  0  0  0  0
 13 10  2  0  0  0  0
 14 11  2  0  0  0  0
 15 11  1  0  0  0  0
 16 15  2  0  0  0  0
 17 14  1  0  0  0  0
 18 16  1  0  0  0  0
 19  9  2  0  0  0  0
 20  5  1  0  0  0  0
 21 19  1  0  0  0  0
 22 10  1  0  0  0  0
 23 21  2  0  0  0  0
 24 13  1  0  0  0  0
 25 18  1  0  0  0  0
  5  3  2  0  0  0  0
 18 17  2  0  0  0  0
 13 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,436)
1436

>  <Formula> (1,436)
C21H22N2OS

>  <MolWeight> (1,436)
350.47718

>  <COMPOUND_NAME> (1,436)
WAY-349160

>  <BAR_CODE_NO> (1,436)
2559394

$$$$
WAY-349233
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
    9.8500   -8.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8417   -9.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2000  -10.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1667   -8.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2167   -9.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2042   -6.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8667   -5.7417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8750   -9.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1750   -9.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8917   -6.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3167   -8.0750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.9000  -10.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1292  -10.4167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2292   -7.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3250  -10.9375    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.0792   -9.5875    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.5292  -11.3875    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.2042   -3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9292   -8.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2917  -10.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9917  -11.6875    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   11.1792   -5.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2250   -4.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -9.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8500   -4.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9042   -3.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  8  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  9  1  0  0  0  0
  9  1  2  0  0  0  0
 10  6  2  0  0  0  0
 11 19  2  0  0  0  0
 12  5  2  0  0  0  0
 13  2  2  0  0  0  0
 14  8  2  0  0  0  0
 15  3  1  0  0  0  0
 16  3  1  0  0  0  0
 17  3  1  0  0  0  0
 18 26  1  0  0  0  0
 19  5  1  0  0  0  0
 20 12  1  0  0  0  0
 21 20  1  0  0  0  0
 22  7  1  0  0  0  0
 23  7  1  0  0  0  0
 24 11  1  0  0  0  0
 25 22  1  0  0  0  0
 26 23  1  0  0  0  0
 10 14  1  0  0  0  0
 18 25  1  0  0  0  0
 20 24  2  0  0  0  0
M  END
>  <Mol_ID> (1,437)
1437

>  <Formula> (1,437)
C17H15BrF3N3O2

>  <MolWeight> (1,437)
430.2191096

>  <COMPOUND_NAME> (1,437)
WAY-349233

>  <BAR_CODE_NO> (1,437)
2559389

$$$$
WAY-349277
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
    3.6724    2.4152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9330    2.3848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0028    2.8289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4379    3.6258    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0106    1.8940    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3460    1.0788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9692    1.5391    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.8270    3.5528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4922    3.1391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9265    1.0058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1373    2.2347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4215    2.2651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3434    4.1916    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8491    4.5749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2382    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5162    1.7906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.5450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5687    2.7680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2422    4.1612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5084    5.9335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  1  2  0  0  0  0
  7  2  1  0  0  0  0
  8  4  1  0  0  0  0
  9  1  1  0  0  0  0
 10  6  1  0  0  0  0
 11  7  1  0  0  0  0
 12  9  2  0  0  0  0
 13  3  2  0  0  0  0
 14  8  1  0  0  0  0
 15  6  1  0  0  0  0
 16 11  1  0  0  0  0
 17 12  1  0  0  0  0
 18 16  2  0  0  0  0
 19 14  2  0  0  0  0
 20 14  1  0  0  0  0
 12 10  1  0  0  0  0
  8 11  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,438)
1438

>  <Formula> (1,438)
C15H14N2O2S

>  <MolWeight> (1,438)
286.34886

>  <COMPOUND_NAME> (1,438)
WAY-349277

>  <BAR_CODE_NO> (1,438)
2559520

$$$$
WAY-349320
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    8.4792   -3.2917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5167   -5.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8667   -4.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7792   -5.4625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4667   -6.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5917   -8.1625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0292   -7.6917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3417   -6.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3125   -7.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7375   -3.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8167   -2.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9000   -6.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5917   -4.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9667   -6.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0042   -8.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4167   -1.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3292   -2.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6500   -6.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9917   -5.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3292   -6.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3417   -8.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6792   -1.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  8  1  0  0  0  0
  8  5  1  0  0  0  0
  9  7  1  0  0  0  0
 10  1  1  0  0  0  0
 11  1  1  0  0  0  0
 12  2  2  0  0  0  0
 13  3  2  0  0  0  0
 14  9  2  0  0  0  0
 15  9  1  0  0  0  0
 16 11  1  0  0  0  0
 17 10  1  0  0  0  0
 18 19  2  0  0  0  0
 19 13  1  0  0  0  0
 20 14  1  0  0  0  0
 21 15  2  0  0  0  0
 22 16  1  0  0  0  0
 23 21  1  0  0  0  0
 17 22  1  0  0  0  0
 18 12  1  0  0  0  0
 20 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,439)
1439

>  <Formula> (1,439)
C19H22N2O2

>  <MolWeight> (1,439)
310.39018

>  <COMPOUND_NAME> (1,439)
WAY-349320

>  <BAR_CODE_NO> (1,439)
2559553

$$$$
WAY-349422
csChFnd80/06171916322D

 29 31  0  0  0  0  0  0  0  0999 V2000
   10.7250   -5.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4667   -3.8167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0250   -2.5917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.9917   -3.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.7667   -5.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5042   -6.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0167   -6.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2042   -5.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5250   -2.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333   -1.0417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208   -4.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2917   -5.0917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5750   -2.5917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4625   -6.4875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4292   -3.8542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3042   -3.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2750   -1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7375   -2.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8292   -3.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792   -2.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7542   -7.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8000   -7.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9042   -3.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1250   -2.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2542   -2.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5292   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0500   -9.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  9  1  0  0  0  0
  4  2  1  0  0  0  0
  5  7  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  1  1  0  0  0  0
  9 16  2  0  0  0  0
 10  3  2  0  0  0  0
 11  3  2  0  0  0  0
 12  5  2  0  0  0  0
 13  3  1  0  0  0  0
 14  8  2  0  0  0  0
 15  8  1  0  0  0  0
 16 20  1  0  0  0  0
 17 19  2  0  0  0  0
 18  4  1  0  0  0  0
 19 21  1  0  0  0  0
 20 21  2  0  0  0  0
 21 25  1  0  0  0  0
 22  6  2  0  0  0  0
 23  7  2  0  0  0  0
 24 15  1  0  0  0  0
 25 24  1  0  0  0  0
 26 18  1  0  0  0  0
 27 22  1  0  0  0  0
 28 27  2  0  0  0  0
 29 26  1  0  0  0  0
  5  4  1  0  0  0  0
 23 28  1  0  0  0  0
  9 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,440)
1440

>  <Formula> (1,440)
C20H22N4O4S

>  <MolWeight> (1,440)
414.47808

>  <COMPOUND_NAME> (1,440)
WAY-349422

>  <BAR_CODE_NO> (1,440)
2559616

$$$$
WAY-349426
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   10.0542  -10.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2792  -11.3750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2792   -9.2417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3667  -10.2917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0250  -11.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0250  -10.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0292   -9.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0125  -14.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3542  -13.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3167  -14.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3875  -12.5625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9917  -12.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3375  -11.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9625  -13.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3000  -12.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8917  -11.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8875   -8.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3625  -15.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -15.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7375   -9.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7375  -10.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  9  1  0  0  0  0
  9 12  2  0  0  0  0
 10 14  1  0  0  0  0
 11  5  2  0  0  0  0
 12 13  1  0  0  0  0
 13  5  1  0  0  0  0
 14 15  2  0  0  0  0
 15 12  1  0  0  0  0
 16  6  2  0  0  0  0
 17  7  2  0  0  0  0
 18  8  1  0  0  0  0
 19 10  1  0  0  0  0
 20 17  1  0  0  0  0
 21 16  1  0  0  0  0
  7  6  1  0  0  0  0
 20 21  2  0  0  0  0
  8 10  2  0  0  0  0
M  END
>  <Mol_ID> (1,441)
1441

>  <Formula> (1,441)
C17H17N3O

>  <MolWeight> (1,441)
279.33638

>  <COMPOUND_NAME> (1,441)
WAY-349426

>  <BAR_CODE_NO> (1,441)
2560178

$$$$
WAY-349511
csChFnd80/06171916322D

 24 25  0  0  0  0  0  0  0  0999 V2000
    7.7042   -5.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7625   -6.4542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3375   -5.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000   -6.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4417   -5.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3875   -4.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7500   -4.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4417   -7.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8542   -7.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5792   -8.8500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5875   -4.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5667   -6.3917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4292   -4.1625    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.4417   -6.3792    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.0917   -5.2667    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.9167  -10.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6042  -11.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9542  -13.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9417  -11.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9417  -12.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6167  -12.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6042  -13.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6500  -14.6667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -14.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  7  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  2  0  0  0  0
  8  2  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11  5  2  0  0  0  0
 12  9  2  0  0  0  0
 13  3  1  0  0  0  0
 14  3  1  0  0  0  0
 15  3  1  0  0  0  0
 16 10  1  0  0  0  0
 17 16  1  0  0  0  0
 18 22  1  0  0  0  0
 19 17  2  0  0  0  0
 20 17  1  0  0  0  0
 21 19  1  0  0  0  0
 22 20  2  0  0  0  0
 23 18  1  0  0  0  0
 24 23  1  0  0  0  0
  2  5  1  0  0  0  0
 21 18  2  0  0  0  0
M  END
>  <Mol_ID> (1,442)
1442

>  <Formula> (1,442)
C16H15F3N2O3

>  <MolWeight> (1,442)
340.2971096

>  <COMPOUND_NAME> (1,442)
WAY-349511

>  <BAR_CODE_NO> (1,442)
2559743

$$$$
WAY-349577
csChFnd80/06171916322D

 24 25  0  0  0  0  0  0  0  0999 V2000
    1.0292   -4.2417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.2917   -3.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1875   -3.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0375   -1.6750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7625   -1.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6042   -3.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4750   -1.9875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542   -6.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2125   -4.8167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6042    0.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4625   -3.6375    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.0500   -5.6125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1500   -1.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8167   -1.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7792    2.3083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167    0.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7583   -1.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -2.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7917   -5.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6292    4.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3958   -2.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6125    1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9542   -4.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  2  2  0  0  0  0
  7  1  1  0  0  0  0
  8  1  2  0  0  0  0
  9  1  2  0  0  0  0
 10 15  1  0  0  0  0
 11  3  1  0  0  0  0
 12  3  2  0  0  0  0
 13  2  1  0  0  0  0
 14 11  1  0  0  0  0
 15 13  2  0  0  0  0
 16 10  1  0  0  0  0
 17  7  1  0  0  0  0
 18  7  1  0  0  0  0
 19 14  1  0  0  0  0
 20 11  1  0  0  0  0
 21 16  1  0  0  0  0
 22 18  1  0  0  0  0
 23 17  1  0  0  0  0
 24 20  1  0  0  0  0
 10  5  2  0  0  0  0
 19 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,443)
1443

>  <Formula> (1,443)
C16H24N2O5S

>  <MolWeight> (1,443)
356.43716

>  <COMPOUND_NAME> (1,443)
WAY-349577

>  <BAR_CODE_NO> (1,443)
2559813

$$$$
WAY-349634
csChFnd80/06171916322D

 29 31  0  0  0  0  0  0  0  0999 V2000
    7.0292   -5.3167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6542   -5.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6667   -2.9250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7167   -4.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2292   -6.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2500   -8.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9917   -4.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1042   -6.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9042   -5.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9417  -10.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7167   -6.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1750   -7.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9292   -7.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0542   -2.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8000   -7.7042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8542   -6.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8625   -8.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0375   -6.3542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2125   -4.1167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2625  -11.2750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7917   -5.3250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2792   -5.2917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3167  -10.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0625   -4.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000   -1.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9750   -6.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7167   -2.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0542   -1.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3 14  1  0  0  0  0
  4  1  1  0  0  0  0
  5 16  2  0  0  0  0
  6 17  1  0  0  0  0
  7  2  1  0  0  0  0
  8 11  1  0  0  0  0
  9  5  1  0  0  0  0
 10  6  1  0  0  0  0
 11  1  1  0  0  0  0
 12 15  1  0  0  0  0
 13  6  2  0  0  0  0
 14  4  1  0  0  0  0
 15  8  1  0  0  0  0
 16 12  1  0  0  0  0
 17 12  2  0  0  0  0
 18  2  2  0  0  0  0
 19  9  2  0  0  0  0
 20 10  2  0  0  0  0
 21  8  2  0  0  0  0
 22  9  1  0  0  0  0
 23 10  1  0  0  0  0
 24  4  2  0  0  0  0
 25 14  2  0  0  0  0
 26 22  1  0  0  0  0
 27 23  1  0  0  0  0
 28 24  1  0  0  0  0
 29 28  2  0  0  0  0
  3  7  2  0  0  0  0
 29 25  1  0  0  0  0
 13  5  1  0  0  0  0
M  END
>  <Mol_ID> (1,444)
1444

>  <Formula> (1,444)
C20H17N3O6

>  <MolWeight> (1,444)
395.36548

>  <COMPOUND_NAME> (1,444)
WAY-349634

>  <BAR_CODE_NO> (1,444)
2559890

$$$$
WAY-349677
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
   11.4167   -6.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4500   -4.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9250   -7.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.4542   -5.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.4417   -6.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9625   -4.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7542   -7.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8000   -4.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5292   -1.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4917    0.1083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7500   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8500   -0.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2875   -1.3292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5125   -2.7417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.1542   -2.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8542   -2.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9250   -2.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9875   -7.6292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9917   -2.3542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2875   -4.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8917   -9.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -4.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1583   -0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042    2.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4083    2.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000    3.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5750    0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8375    3.6458    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9 13  1  0  0  0  0
 10  9  2  0  0  0  0
 11  7  2  0  0  0  0
 12 10  1  0  0  0  0
 13 15  1  0  0  0  0
 14  9  1  0  0  0  0
 15 17  1  0  0  0  0
 16 14  1  0  0  0  0
 17  8  1  0  0  0  0
 18  5  2  0  0  0  0
 19  6  2  0  0  0  0
 20 12  1  0  0  0  0
 21 15  2  0  0  0  0
 22  3  1  0  0  0  0
 23  4  1  0  0  0  0
 24 20  1  0  0  0  0
 25 20  2  0  0  0  0
 26 27  2  0  0  0  0
 27 25  1  0  0  0  0
 28 24  2  0  0  0  0
 29 26  1  0  0  0  0
 11  8  1  0  0  0  0
  6  4  1  0  0  0  0
 12 16  2  0  0  0  0
 26 28  1  0  0  0  0
M  END
>  <Mol_ID> (1,445)
1445

>  <Formula> (1,445)
C18H15FN6O3S

>  <MolWeight> (1,445)
414.4135032

>  <COMPOUND_NAME> (1,445)
WAY-349677

>  <BAR_CODE_NO> (1,445)
2559933

$$$$
WAY-349681
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
   10.0792   -5.2292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7625   -5.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7292   -7.0417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8917   -6.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0667   -7.5042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5167   -4.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3042   -6.4167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.9542  -13.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4042   -7.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5375  -13.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3542  -15.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0667  -15.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1792  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0792   -8.9292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.6917  -12.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4750   -3.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1250   -6.4917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9792   -7.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8625  -12.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5417   -3.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0167  -11.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7625  -10.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6042  -11.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3250   -5.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6750   -2.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2250   -2.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0875   -5.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0500   -3.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8 15  1  0  0  0  0
  9 18  1  0  0  0  0
 10 19  1  0  0  0  0
 11  8  1  0  0  0  0
 12 10  1  0  0  0  0
 13 11  1  0  0  0  0
 14  9  1  0  0  0  0
 15 21  2  0  0  0  0
 16  6  2  0  0  0  0
 17  9  2  0  0  0  0
 18  7  1  0  0  0  0
 19 23  2  0  0  0  0
 20  1  1  0  0  0  0
 21 22  1  0  0  0  0
 22 14  1  0  0  0  0
 23 21  1  0  0  0  0
 24  6  1  0  0  0  0
 25 16  1  0  0  0  0
 26 16  1  0  0  0  0
 27 24  2  0  0  0  0
 28 27  1  0  0  0  0
  5  3  1  0  0  0  0
 28 26  2  0  0  0  0
 10  8  2  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <Mol_ID> (1,446)
1446

>  <Formula> (1,446)
C20H20N4O3S

>  <MolWeight> (1,446)
396.4628

>  <COMPOUND_NAME> (1,446)
WAY-349681

>  <BAR_CODE_NO> (1,446)
2561340

$$$$
WAY-349708
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
    9.2000   -4.4542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.5625   -7.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9167   -8.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7500   -9.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9917   -4.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7917   -8.0542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9792   -6.0917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9292   -5.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9125   -9.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1667   -6.4917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0667   -6.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1917   -5.4917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.4750  -11.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9500   -4.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8042   -6.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5917   -5.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2750  -11.4167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6042   -3.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6625   -8.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -9.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4042  -11.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0375   -2.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8167   -4.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7667   -2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9917   -2.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7667   -3.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8542   -2.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 11  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  5  2  0  0  0  0
  8  1  1  0  0  0  0
  9  6  1  0  0  0  0
 10  8  2  0  0  0  0
 11 15  1  0  0  0  0
 12  8  1  0  0  0  0
 13  4  1  0  0  0  0
 14  5  1  0  0  0  0
 15 12  1  0  0  0  0
 16 11  2  0  0  0  0
 17 13  2  0  0  0  0
 18  1  1  0  0  0  0
 19  3  1  0  0  0  0
 20  9  1  0  0  0  0
 21 13  1  0  0  0  0
 22 14  2  0  0  0  0
 23 14  1  0  0  0  0
 24 18  1  0  0  0  0
 25 22  1  0  0  0  0
 26 23  2  0  0  0  0
 27 26  1  0  0  0  0
 10  7  1  0  0  0  0
 27 25  2  0  0  0  0
  4  9  2  0  0  0  0
M  END
>  <Mol_ID> (1,447)
1447

>  <Formula> (1,447)
C20H22N4O2S

>  <MolWeight> (1,447)
382.47928

>  <COMPOUND_NAME> (1,447)
WAY-349708

>  <BAR_CODE_NO> (1,447)
2559956

$$$$
WAY-349730
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
    9.4917   -7.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8875   -6.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2292   -7.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8542   -5.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8375   -6.4000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.2292   -8.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5042   -8.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -14.6167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.2417  -13.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0917   -5.9917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2542   -9.5042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4792   -8.6417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6292   -6.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0125   -7.3292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4792  -12.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0042  -10.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3625   -4.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0000  -11.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2292  -12.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2625  -10.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4917  -11.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3042   -3.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1500   -4.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0292   -2.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8792   -3.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8250   -2.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  9  3  0  0  0  0
  9 15  1  0  0  0  0
 10  2  2  0  0  0  0
 11  7  1  0  0  0  0
 12  3  2  0  0  0  0
 13  5  1  0  0  0  0
 14  7  2  0  0  0  0
 15 19  2  0  0  0  0
 16 11  1  0  0  0  0
 17 13  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 16  1  0  0  0  0
 21 16  2  0  0  0  0
 22 17  1  0  0  0  0
 23 17  2  0  0  0  0
 24 22  2  0  0  0  0
 25 23  1  0  0  0  0
 26 25  2  0  0  0  0
  5  4  1  0  0  0  0
 15 18  1  0  0  0  0
 26 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,448)
1448

>  <Formula> (1,448)
C19H16N4O3

>  <MolWeight> (1,448)
348.35534

>  <COMPOUND_NAME> (1,448)
WAY-349730

>  <BAR_CODE_NO> (1,448)
2559978

$$$$
WAY-349795
csChFnd80/06171916322D

 22 23  0  0  0  0  0  0  0  0999 V2000
   -0.0250   -2.9917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.4042   -5.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6542   -5.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667   -2.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208   -4.7917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333   -1.2042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0292   -4.4042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3042   -7.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8208   -3.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8000   -7.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7500   -4.4625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6667   -4.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6292   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2667   -4.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0750   -7.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4375   -4.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4000   -1.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3042   -2.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.9625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    7.9917   -4.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9292   -5.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0875   -2.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3 11  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  2  0  0  0  0
  7 14  2  0  0  0  0
  8  2  2  0  0  0  0
  9  1  1  0  0  0  0
 10  3  2  0  0  0  0
 11 20  1  0  0  0  0
 12  4  2  0  0  0  0
 13  4  1  0  0  0  0
 14  2  1  0  0  0  0
 15  8  1  0  0  0  0
 16 12  1  0  0  0  0
 17 13  2  0  0  0  0
 18 17  1  0  0  0  0
 19 15  1  0  0  0  0
 20 22  1  0  0  0  0
 21  7  1  0  0  0  0
 22 18  1  0  0  0  0
 16 18  2  0  0  0  0
 21 15  2  0  0  0  0
M  END
>  <Mol_ID> (1,449)
1449

>  <Formula> (1,449)
C14H14BrN3O3S

>  <MolWeight> (1,449)
384.24826

>  <COMPOUND_NAME> (1,449)
WAY-349795

>  <BAR_CODE_NO> (1,449)
2560074

$$$$
WAY-349809
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
   13.1542   -9.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1750   -7.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0917   -9.5667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.0417   -7.9625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.0375   -9.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1167   -7.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1292   -9.3375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1542   -7.5875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8875   -5.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2417   -4.8167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5042   -8.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2042   -5.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9750   -5.6917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2417   -6.5750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.5167   -6.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2042   -6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2667   -4.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6125   -6.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9917   -9.5875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1292   -6.3167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2667   -3.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3292   -2.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3875   -3.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9750   -7.5667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3250   -5.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0750  -10.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3875   -4.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3292   -1.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4375   -2.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9 13  1  0  0  0  0
 10  9  2  0  0  0  0
 11  7  2  0  0  0  0
 12 10  1  0  0  0  0
 13 15  1  0  0  0  0
 14  9  1  0  0  0  0
 15 18  1  0  0  0  0
 16 14  1  0  0  0  0
 17 12  1  0  0  0  0
 18  8  1  0  0  0  0
 19  5  2  0  0  0  0
 20  6  2  0  0  0  0
 21 17  2  0  0  0  0
 22 21  1  0  0  0  0
 23 28  1  0  0  0  0
 24 15  2  0  0  0  0
 25 17  1  0  0  0  0
 26  3  1  0  0  0  0
 27  4  1  0  0  0  0
 28 25  2  0  0  0  0
 29 22  1  0  0  0  0
 30 23  1  0  0  0  0
  8 11  1  0  0  0  0
  4  6  1  0  0  0  0
 16 12  2  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,450)
1450

>  <Formula> (1,450)
C20H20N6O3S

>  <MolWeight> (1,450)
424.4762

>  <COMPOUND_NAME> (1,450)
WAY-349809

>  <BAR_CODE_NO> (1,450)
2560089

$$$$
WAY-349828
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
   10.8292  -11.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8667  -11.9042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2042  -10.5292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1000  -11.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -13.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9917  -12.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8375  -13.6792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.7250  -12.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6292  -11.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9292  -10.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2000  -12.7167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2750   -9.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7292  -10.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9917  -10.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0042   -9.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3542   -8.3542    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.0250  -11.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3167  -11.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3792  -10.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  9  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  6  1  0  0  0  0
  8  4  2  0  0  0  0
  9 14  1  0  0  0  0
 10  3  1  0  0  0  0
 11  1  2  0  0  0  0
 12 10  1  0  0  0  0
 13  4  1  0  0  0  0
 14 13  2  0  0  0  0
 15 12  2  0  0  0  0
 16 15  1  0  0  0  0
 17 18  1  0  0  0  0
 18 10  2  0  0  0  0
 19 17  2  0  0  0  0
  6  9  2  0  0  0  0
  5  2  2  0  0  0  0
 19 15  1  0  0  0  0
M  END
>  <Mol_ID> (1,451)
1451

>  <Formula> (1,451)
C14H9FN2OS

>  <MolWeight> (1,451)
272.2974632

>  <COMPOUND_NAME> (1,451)
WAY-349828

>  <BAR_CODE_NO> (1,451)
2560053

$$$$
WAY-349848
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
    5.6750   -4.8167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5917   -3.2125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.5667   -3.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3750   -4.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7125   -9.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8000   -5.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5625   -9.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2792   -8.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8292   -6.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5292   -4.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5667   -7.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2542   -5.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.7167   -7.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9917   -8.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1042   -5.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2542   -7.0500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9792   -6.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3750   -6.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2917  -10.0417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5292   -6.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9667  -10.0417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4250   -8.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5750   -3.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4500  -10.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -9.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8167  -10.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  2  0  0  0  0
  4  6  1  0  0  0  0
  5  7  2  0  0  0  0
  6  1  1  0  0  0  0
  7 14  1  0  0  0  0
  8 13  2  0  0  0  0
  9 12  1  0  0  0  0
 10  4  2  0  0  0  0
 11 17  1  0  0  0  0
 12 15  1  0  0  0  0
 13 11  1  0  0  0  0
 14 11  2  0  0  0  0
 15 20  2  0  0  0  0
 16  9  2  0  0  0  0
 17  9  1  0  0  0  0
 18  6  2  0  0  0  0
 19  5  1  0  0  0  0
 20 18  1  0  0  0  0
 21  7  1  0  0  0  0
 22  8  1  0  0  0  0
 23  3  1  0  0  0  0
 24 19  1  0  0  0  0
 25 22  1  0  0  0  0
 26 21  1  0  0  0  0
  2  4  1  0  0  0  0
 10 15  1  0  0  0  0
  5  8  1  0  0  0  0
M  END
>  <Mol_ID> (1,452)
1452

>  <Formula> (1,452)
C19H20N2O4S

>  <MolWeight> (1,452)
372.4381

>  <COMPOUND_NAME> (1,452)
WAY-349848

>  <BAR_CODE_NO> (1,452)
2560142

$$$$
WAY-350164
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    8.2792   -4.1667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.9875   -3.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1875   -2.6250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1750   -3.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1542   -3.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3042   -2.2750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7250   -4.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9042   -4.2917    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.4917   -5.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6667   -3.2875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6542   -5.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4917   -3.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2417   -4.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1250   -5.2750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2167   -4.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2375   -6.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4125   -4.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1542   -3.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3292   -5.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3750   -6.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000   -4.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4125   -6.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -5.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  2  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  2  2  0  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10 12  1  0  0  0  0
 11  9  1  0  0  0  0
 12  8  1  0  0  0  0
 13 10  1  0  0  0  0
 14  7  2  0  0  0  0
 15  4  1  0  0  0  0
 16 11  2  0  0  0  0
 17 13  2  0  0  0  0
 18 15  1  0  0  0  0
 19 15  1  0  0  0  0
 20 19  1  0  0  0  0
 21 18  1  0  0  0  0
 22 16  1  0  0  0  0
 23 17  1  0  0  0  0
  6  3  1  0  0  0  0
 11 13  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,453)
1453

>  <Formula> (1,453)
C16H19N3O3S

>  <MolWeight> (1,453)
333.40536

>  <COMPOUND_NAME> (1,453)
WAY-350164

>  <BAR_CODE_NO> (1,453)
2560395

$$$$
WAY-350176
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
    5.9500   -2.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0167   -1.6167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0167   -4.2125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4917   -2.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5542   -2.9292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4917   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1042   -4.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4542  -10.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9292   -5.8542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4042   -4.3917    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   15.1500  -10.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292  -11.8917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6542  -11.8917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2917  -12.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1042   -1.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6125   -8.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9542   -2.9167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1042   -4.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4667   -7.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6250   -5.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125   -2.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1542   -7.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5542   -5.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7083   -1.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7 10  1  0  0  0  0
  8 16  1  0  0  0  0
  9  7  1  0  0  0  0
 10  5  1  0  0  0  0
 11 19  1  0  0  0  0
 12  8  1  0  0  0  0
 13 11  1  0  0  0  0
 14 12  1  0  0  0  0
 15  4  1  0  0  0  0
 16 20  2  0  0  0  0
 17  7  2  0  0  0  0
 18  6  1  0  0  0  0
 19 24  2  0  0  0  0
 20 21  1  0  0  0  0
 21  9  1  0  0  0  0
 22 15  2  0  0  0  0
 23 18  2  0  0  0  0
 24 20  1  0  0  0  0
 25 10  1  0  0  0  0
 26 22  1  0  0  0  0
  4  6  2  0  0  0  0
 22 23  1  0  0  0  0
  8 11  2  0  0  0  0
 14 13  1  0  0  0  0
M  END
>  <Mol_ID> (1,454)
1454

>  <Formula> (1,454)
C19H19N3O3S

>  <MolWeight> (1,454)
369.43746

>  <COMPOUND_NAME> (1,454)
WAY-350176

>  <BAR_CODE_NO> (1,454)
2560409

$$$$
WAY-350196
csChFnd80/06171916322D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -0.1137    0.0421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7530    0.0421    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7530   -0.8746    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4095    0.8130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8137   -0.5121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6637   -0.1871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2970    0.4880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5405    0.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1345    0.8255    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.5970    1.0047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1637   -0.3954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3345   -0.7121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7845    0.6922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2363   -0.0121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9655   -1.3121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8155   -0.0079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2238   -0.7954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0238    0.4255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3 16  2  0  0  0  0
  4  1  2  0  0  0  0
  5  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7 10  1  0  0  0  0
  8  2  1  0  0  0  0
  9  7  1  0  0  0  0
 10 13  2  0  0  0  0
 11 12  1  0  0  0  0
 12  6  2  0  0  0  0
 13  6  1  0  0  0  0
 14  8  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 14  1  0  0  0  0
 18 14  2  0  0  0  0
  7 11  2  0  0  0  0
 15  3  1  0  0  0  0
M  END
>  <Mol_ID> (1,455)
1455

>  <Formula> (1,455)
C14H13BrN2O

>  <MolWeight> (1,455)
305.16982

>  <COMPOUND_NAME> (1,455)
WAY-350196

>  <BAR_CODE_NO> (1,455)
2560461

$$$$
WAY-350217
csChFnd80/06171916322D

 21 22  0  0  0  0  0  0  0  0999 V2000
    9.4292  -10.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3125   -8.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0917   -4.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0292   -6.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2667   -4.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6042   -9.9917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3667   -6.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1417   -8.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7167  -11.8625    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   14.8875  -11.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3667  -11.9250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9625   -9.9250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3250   -2.4875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8417   -6.3250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9750   -2.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -13.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6542  -13.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4917   -2.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7417   -4.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9375  -15.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7625  -15.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  2  0  0  0  0
  4  8  1  0  0  0  0
  5  7  2  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  2  2  0  0  0  0
  9  6  1  0  0  0  0
 10  9  1  0  0  0  0
 11  1  2  0  0  0  0
 12 10  2  0  0  0  0
 13  5  1  0  0  0  0
 14  4  1  0  0  0  0
 15  3  1  0  0  0  0
 16 10  1  0  0  0  0
 17  9  1  0  0  0  0
 18 13  1  0  0  0  0
 19 14  1  0  0  0  0
 20 21  1  0  0  0  0
 21 17  1  0  0  0  0
  3  5  1  0  0  0  0
 16 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,456)
1456

>  <Formula> (1,456)
C16H20O5

>  <MolWeight> (1,456)
292.327

>  <COMPOUND_NAME> (1,456)
WAY-350217

>  <BAR_CODE_NO> (1,456)
2560533

$$$$
WAY-349857
csChFnd80/06171916322D

 24 25  0  0  0  0  0  0  0  0999 V2000
    8.4000   -5.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6417   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6542   -5.5292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0125   -3.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4917   -9.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3000   -6.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6750   -6.5667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.1042   -8.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2292   -9.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2125   -7.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4500   -4.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4667   -6.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4750   -7.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6000   -8.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1542   -2.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6792   -7.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5542   -6.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2417   -3.0542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.1417  -10.9542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5917  -10.9750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3625   -8.7667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4042  -10.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -9.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3250  -10.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  9  2  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  1  0  0  0  0
 10 17  1  0  0  0  0
 11  2  1  0  0  0  0
 12  7  1  0  0  0  0
 13 10  1  0  0  0  0
 14 10  2  0  0  0  0
 15  4  2  0  0  0  0
 16  6  2  0  0  0  0
 17  6  1  0  0  0  0
 18  4  1  0  0  0  0
 19  5  1  0  0  0  0
 20  9  1  0  0  0  0
 21  8  1  0  0  0  0
 22 19  1  0  0  0  0
 23 21  1  0  0  0  0
 24 20  1  0  0  0  0
 11 12  2  0  0  0  0
  5  8  1  0  0  0  0
M  END
>  <Mol_ID> (1,457)
1457

>  <Formula> (1,457)
C16H18N2O5S

>  <MolWeight> (1,457)
350.38952

>  <COMPOUND_NAME> (1,457)
WAY-349857

>  <BAR_CODE_NO> (1,457)
2560151

$$$$
WAY-349866
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
   13.1125   -8.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1542   -7.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0417   -8.8292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.0292   -7.2292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.0000   -8.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1042   -6.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0667   -8.5542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1292   -6.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2042   -4.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2500   -3.9292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8875   -4.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4625   -7.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3292   -3.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9792   -4.8500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2292   -5.7042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2000   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3292   -4.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4542   -2.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5042   -5.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6042   -5.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9500   -8.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1417   -5.5667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4542   -3.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5792   -1.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9417   -6.7417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792   -2.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0000   -9.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4542   -2.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2000   -5.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7042   -1.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 14  1  0  0  0  0
 12  7  2  0  0  0  0
 13  9  1  0  0  0  0
 14 19  1  0  0  0  0
 15 11  1  0  0  0  0
 16 15  1  0  0  0  0
 17 13  2  0  0  0  0
 18 13  1  0  0  0  0
 19 20  1  0  0  0  0
 20  8  1  0  0  0  0
 21  5  2  0  0  0  0
 22  6  2  0  0  0  0
 23 17  1  0  0  0  0
 24 18  2  0  0  0  0
 25 19  2  0  0  0  0
 26 24  1  0  0  0  0
 27  3  1  0  0  0  0
 28  4  1  0  0  0  0
 29 18  1  0  0  0  0
 30 17  1  0  0  0  0
 31 26  1  0  0  0  0
  8 12  1  0  0  0  0
  4  6  1  0  0  0  0
 16  9  2  0  0  0  0
 23 26  2  0  0  0  0
M  END
>  <Mol_ID> (1,458)
1458

>  <Formula> (1,458)
C21H22N6O3S

>  <MolWeight> (1,458)
438.50278

>  <COMPOUND_NAME> (1,458)
WAY-349866

>  <BAR_CODE_NO> (1,458)
2560162

$$$$
WAY-349875
csChFnd80/06171916322D

 23 24  0  0  0  0  0  0  0  0999 V2000
    8.6417   -3.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9750   -3.6667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6417   -4.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6625   -5.9250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8500   -2.6250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0042   -7.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8875   -4.7625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.9792   -4.7875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.5875   -3.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6292   -4.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6792   -8.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0000   -5.9542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6792   -7.0875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0042   -8.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1167   -4.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6667   -9.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0167   -9.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6792  -10.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5542   -5.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0042  -10.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2750   -4.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0917   -2.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -9.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  8  1  0  0  0  0
  5  1  2  0  0  0  0
  6  4  1  0  0  0  0
  7  1  1  0  0  0  0
  8  3  1  0  0  0  0
  9  5  1  0  0  0  0
 10  7  1  0  0  0  0
 11  6  1  0  0  0  0
 12  3  2  0  0  0  0
 13  6  2  0  0  0  0
 14 11  2  0  0  0  0
 15  8  1  0  0  0  0
 16 14  1  0  0  0  0
 17 11  1  0  0  0  0
 18 17  2  0  0  0  0
 19 10  1  0  0  0  0
 20 18  1  0  0  0  0
 21 15  1  0  0  0  0
 22 15  1  0  0  0  0
 23 16  1  0  0  0  0
  9 10  2  0  0  0  0
 16 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,459)
1459

>  <Formula> (1,459)
C17H21N3O2S

>  <MolWeight> (1,459)
331.43254

>  <COMPOUND_NAME> (1,459)
WAY-349875

>  <BAR_CODE_NO> (1,459)
2560171

$$$$
WAY-349904
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
   13.0750   -9.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2167   -8.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9042  -10.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.0125   -8.7667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.8792   -9.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1875   -8.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0417   -9.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2750   -8.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3417   -5.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7042   -5.1417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5417   -8.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7042   -5.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3917   -5.9792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7417   -6.8542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.8042   -6.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7292   -6.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8042   -4.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8625   -7.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7292  -10.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9167   -3.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3292   -7.0792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8167   -3.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9917   -3.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1750   -7.7917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8917   -5.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7542  -11.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9917   -4.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9000   -2.3917    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.0875   -3.3500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9 13  1  0  0  0  0
 10  9  2  0  0  0  0
 11  7  2  0  0  0  0
 12 10  1  0  0  0  0
 13 15  1  0  0  0  0
 14  9  1  0  0  0  0
 15 18  1  0  0  0  0
 16 14  1  0  0  0  0
 17 12  1  0  0  0  0
 18  8  1  0  0  0  0
 19  5  2  0  0  0  0
 20 22  1  0  0  0  0
 21  6  2  0  0  0  0
 22 17  2  0  0  0  0
 23 28  1  0  0  0  0
 24 15  2  0  0  0  0
 25 17  1  0  0  0  0
 26  3  1  0  0  0  0
 27  4  1  0  0  0  0
 28 25  2  0  0  0  0
 29 20  1  0  0  0  0
 30 23  1  0  0  0  0
 11  8  1  0  0  0  0
  6  4  1  0  0  0  0
 12 16  2  0  0  0  0
 23 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,460)
1460

>  <Formula> (1,460)
C18H14F2N6O3S

>  <MolWeight> (1,460)
432.4039664

>  <COMPOUND_NAME> (1,460)
WAY-349904

>  <BAR_CODE_NO> (1,460)
2560116

$$$$
WAY-349911
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    8.6292   -9.1042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6292  -11.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0125  -10.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8542  -11.2417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4667  -12.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8667  -13.3667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3042  -13.3750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.8625   -6.9792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6917  -12.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5417  -13.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0167   -8.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8625   -9.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0167  -12.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7792  -10.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6292   -6.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4792   -8.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1500  -14.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1625  -12.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7792  -12.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1667  -11.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3792  -14.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3875  -12.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -13.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  9  1  0  0  0  0
  8 16  1  0  0  0  0
  9  5  1  0  0  0  0
 10  7  1  0  0  0  0
 11  1  1  0  0  0  0
 12  1  1  0  0  0  0
 13  2  1  0  0  0  0
 14  3  1  0  0  0  0
 15 11  1  0  0  0  0
 16 12  1  0  0  0  0
 17 10  2  0  0  0  0
 18 10  1  0  0  0  0
 19 20  1  0  0  0  0
 20 14  2  0  0  0  0
 21 17  1  0  0  0  0
 22 18  2  0  0  0  0
 23 22  1  0  0  0  0
 15  8  1  0  0  0  0
 13 19  2  0  0  0  0
 21 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,461)
1461

>  <Formula> (1,461)
C18H20N2O2S

>  <MolWeight> (1,461)
328.4286

>  <COMPOUND_NAME> (1,461)
WAY-349911

>  <BAR_CODE_NO> (1,461)
2560124

$$$$
WAY-349918
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   10.0218    7.4985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7294    7.9075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7280    8.7228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0198    9.1302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3115    8.7163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3164    7.9023    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0204    6.6728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7351    6.2576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4499    6.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4511    7.4953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7248    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4407    5.4173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4362    6.2441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7166    6.6545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.2321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0080    5.4068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1521    6.6641    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8690    6.2490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8648    5.4190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5859    6.6683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3028    6.2532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  2  1  0  0  0  0
  1  7  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
 13 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21  7  1  0  0  0  0
M  END
>  <Mol_ID> (1,462)
1462

>  <Formula> (1,462)
C17H14N2O2

>  <MolWeight> (1,462)
278.30526

>  <COMPOUND_NAME> (1,462)
WAY-349918

>  <BAR_CODE_NO> (1,462)
2560131

$$$$
WAY-349920
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
   12.9625   -9.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0292   -8.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9125   -9.8667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.9792   -8.2292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.9250   -9.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0292   -7.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8667   -9.5417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9750   -7.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0042   -4.6417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6417   -5.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9167   -4.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2542   -8.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0167   -4.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7792   -5.6375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9417   -6.4792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.8750   -6.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3042   -6.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4500   -6.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8917   -9.9667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0917   -6.4792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9625   -4.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1792   -3.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7000   -7.6042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8500  -11.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0750   -3.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2875   -2.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8000   -5.8042    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.2292   -2.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4417   -1.3042    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9 10  2  0  0  0  0
 10 14  1  0  0  0  0
 11  9  1  0  0  0  0
 12  7  2  0  0  0  0
 13 11  1  0  0  0  0
 14 17  1  0  0  0  0
 15 10  1  0  0  0  0
 16 15  1  0  0  0  0
 17 18  1  0  0  0  0
 18  8  1  0  0  0  0
 19  5  2  0  0  0  0
 20  6  2  0  0  0  0
 21 13  2  0  0  0  0
 22 13  1  0  0  0  0
 23 17  2  0  0  0  0
 24  3  1  0  0  0  0
 25  4  1  0  0  0  0
 26 21  1  0  0  0  0
 27 22  2  0  0  0  0
 28 21  1  0  0  0  0
 29 27  1  0  0  0  0
 30 27  1  0  0  0  0
  8 12  1  0  0  0  0
  4  6  1  0  0  0  0
 16 11  2  0  0  0  0
 29 26  2  0  0  0  0
M  END
>  <Mol_ID> (1,463)
1463

>  <Formula> (1,463)
C18H14F2N6O3S

>  <MolWeight> (1,463)
432.4039664

>  <COMPOUND_NAME> (1,463)
WAY-349920

>  <BAR_CODE_NO> (1,463)
2560133

$$$$
WAY-349941
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   15.2917  -11.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9042  -11.6125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -12.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.7875  -13.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0792  -13.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9292   -6.3417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5250   -6.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6167   -7.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8500  -10.0167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.9250   -8.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8250   -5.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6667  -13.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2417  -14.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0375   -7.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8167   -7.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5417   -3.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1542   -8.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4167   -5.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7375   -8.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8417   -2.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1167  -15.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8292  -15.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4042   -7.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7125   -6.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  8  1  0  0  0  0
  7  6  1  0  0  0  0
  8 14  1  0  0  0  0
  9  1  1  0  0  0  0
 10  8  2  0  0  0  0
 11  7  1  0  0  0  0
 12  4  2  0  0  0  0
 13  5  2  0  0  0  0
 14 19  1  0  0  0  0
 15  7  2  0  0  0  0
 16 11  1  0  0  0  0
 17  9  1  0  0  0  0
 18 11  2  0  0  0  0
 19 17  1  0  0  0  0
 20 16  1  0  0  0  0
 21 13  1  0  0  0  0
 22 12  1  0  0  0  0
 23 15  1  0  0  0  0
 24 23  2  0  0  0  0
  4  5  1  0  0  0  0
 22 21  2  0  0  0  0
 18 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,464)
1464

>  <Formula> (1,464)
C19H20N2OS2

>  <MolWeight> (1,464)
356.5049

>  <COMPOUND_NAME> (1,464)
WAY-349941

>  <BAR_CODE_NO> (1,464)
2560207

$$$$
WAY-349973
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    9.7042   -4.0667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4042   -5.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3042   -4.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7167   -6.4625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6375   -5.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3500   -6.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7917   -5.2417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.2542   -5.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6542   -7.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6167   -2.8667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3875   -2.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8917   -6.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5500   -5.1917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5042   -6.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2750   -7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5750   -6.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6042   -7.5917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5917   -8.9292    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.7750   -2.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7917   -1.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8042   -0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0167   -1.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  2  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  6  1  0  0  0  0
 10  3  2  0  0  0  0
 11  1  1  0  0  0  0
 12 14  1  0  0  0  0
 13 12  2  0  0  0  0
 14  7  1  0  0  0  0
 15 16  1  0  0  0  0
 16  8  2  0  0  0  0
 17 12  1  0  0  0  0
 18 15  1  0  0  0  0
 19 11  1  0  0  0  0
 20 11  1  0  0  0  0
 21 17  1  0  0  0  0
 22 20  1  0  0  0  0
 23 19  1  0  0  0  0
 23 22  1  0  0  0  0
  4  6  1  0  0  0  0
 15  9  2  0  0  0  0
M  END
>  <Mol_ID> (1,465)
1465

>  <Formula> (1,465)
C16H17ClN2O3S

>  <MolWeight> (1,465)
352.83578

>  <COMPOUND_NAME> (1,465)
WAY-349973

>  <BAR_CODE_NO> (1,465)
2560193

$$$$
WAY-349989
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
   13.0917   -6.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7792   -7.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8292   -8.2875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7292   -3.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.7875   -7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4917   -3.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3292   -6.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3500   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7375   -5.3250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8792   -4.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5042   -5.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4667   -5.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5917   -4.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.8667   -2.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8125   -9.5292    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.2167   -5.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0917   -4.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6125   -8.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6542   -4.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8917   -6.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6875  -11.3875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7167  -10.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8750  -10.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5917  -11.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0375   -5.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6625   -6.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  8  1  0  0  0  0
  5  7  2  0  0  0  0
  6  4  1  0  0  0  0
  7  1  1  0  0  0  0
  8 13  1  0  0  0  0
  9  8  2  0  0  0  0
 10 11  1  0  0  0  0
 11  9  1  0  0  0  0
 12  1  1  0  0  0  0
 13 16  1  0  0  0  0
 14  6  2  0  0  0  0
 15  3  1  0  0  0  0
 16 12  1  0  0  0  0
 17 12  2  0  0  0  0
 18  2  1  0  0  0  0
 19  5  1  0  0  0  0
 20 10  2  0  0  0  0
 21 11  2  0  0  0  0
 22 23  1  0  0  0  0
 23 15  1  0  0  0  0
 24 15  1  0  0  0  0
 25 22  1  0  0  0  0
 26 27  2  0  0  0  0
 27 21  1  0  0  0  0
  3  5  1  0  0  0  0
  6 10  1  0  0  0  0
 26 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,466)
1466

>  <Formula> (1,466)
C20H23N3O3S

>  <MolWeight> (1,466)
385.47992

>  <COMPOUND_NAME> (1,466)
WAY-349989

>  <BAR_CODE_NO> (1,466)
2560300

$$$$
WAY-350003
csChFnd80/06171916322D

 33 36  0  0  0  0  0  0  0  0999 V2000
   13.5292  -12.2042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.6667   -4.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3792   -4.6250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3625   -5.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7500   -6.8167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.1292  -11.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2750   -3.4292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.6667  -12.8042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7792   -5.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4417   -9.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292  -13.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3917  -11.6125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4667   -6.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6375   -6.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6417   -5.6250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3292   -7.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.0250   -8.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2250   -5.5167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4667   -1.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3292   -6.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5625   -3.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5750   -2.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4042  -11.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -9.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7625  -12.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7250  -14.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3042   -8.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4792   -5.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1625   -2.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1667   -1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8667   -8.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5792   -8.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8875   -6.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  2  2  0  0  0  0
  4 15  1  0  0  0  0
  5  4  2  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  1  1  0  0  0  0
  9 13  1  0  0  0  0
 10  6  2  0  0  0  0
 11  1  2  0  0  0  0
 12  1  2  0  0  0  0
 13  5  1  0  0  0  0
 14 16  1  0  0  0  0
 15 20  1  0  0  0  0
 16 17  1  0  0  0  0
 17 10  1  0  0  0  0
 18 14  2  0  0  0  0
 19 30  1  0  0  0  0
 20 14  1  0  0  0  0
 21  7  1  0  0  0  0
 22  7  1  0  0  0  0
 23  6  1  0  0  0  0
 24 23  2  0  0  0  0
 25  8  1  0  0  0  0
 26  8  1  0  0  0  0
 27 24  1  0  0  0  0
 28  9  2  0  0  0  0
 29 21  1  0  0  0  0
 30 22  1  0  0  0  0
 31 13  2  0  0  0  0
 32 31  1  0  0  0  0
 33 32  2  0  0  0  0
 17 27  2  0  0  0  0
  3  9  1  0  0  0  0
 19 29  1  0  0  0  0
 28 33  1  0  0  0  0
M  END
>  <Mol_ID> (1,467)
1467

>  <Formula> (1,467)
C22H25N5O5S

>  <MolWeight> (1,467)
471.5294

>  <COMPOUND_NAME> (1,467)
WAY-350003

>  <BAR_CODE_NO> (1,467)
2560432

$$$$
WAY-350060
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
   10.7417  -11.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9917  -11.1542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4417  -12.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3167  -12.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6167  -11.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3000  -10.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4250  -10.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0500  -10.2125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0125  -13.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2042   -9.2417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0667  -12.1542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1375  -13.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4542  -14.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9250  -10.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3417   -9.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1542  -15.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0292  -15.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7042  -14.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7292  -16.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   10.7292   -9.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9792   -9.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6417   -8.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9042   -8.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2792   -8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4042   -8.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2042   -7.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3417   -7.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  2  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  2  0  0  0  0
  8  5  1  0  0  0  0
  9  3  1  0  0  0  0
 10 15  1  0  0  0  0
 11  5  2  0  0  0  0
 12  9  2  0  0  0  0
 13  9  1  0  0  0  0
 14  8  1  0  0  0  0
 15 14  1  0  0  0  0
 16 17  1  0  0  0  0
 17 13  2  0  0  0  0
 18 12  1  0  0  0  0
 19 16  1  0  0  0  0
 20  6  1  0  0  0  0
 21  7  1  0  0  0  0
 22 10  2  0  0  0  0
 23 15  2  0  0  0  0
 24 20  2  0  0  0  0
 25 24  1  0  0  0  0
 26 27  2  0  0  0  0
 27 23  1  0  0  0  0
  3  2  2  0  0  0  0
 21 25  2  0  0  0  0
 16 18  2  0  0  0  0
 26 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,468)
1468

>  <Formula> (1,468)
C22H16BrN3O

>  <MolWeight> (1,468)
418.28594

>  <COMPOUND_NAME> (1,468)
WAY-350060

>  <BAR_CODE_NO> (1,468)
2560313

$$$$
WAY-350079
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   11.9250   -7.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1167   -9.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5625  -10.3125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8125   -7.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3625   -3.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2250   -9.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2000   -1.9292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2125   -5.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3292   -2.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9792   -5.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3292   -4.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2917   -3.5167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.0500   -5.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9917   -3.8917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6042  -13.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3667  -12.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4125  -14.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2042   -9.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -10.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6667   -1.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6667   -5.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5 12  1  0  0  0  0
  6  4  2  0  0  0  0
  7  5  2  0  0  0  0
  8  5  1  0  0  0  0
  9  7  1  0  0  0  0
 10  1  1  0  0  0  0
 11  8  1  0  0  0  0
 12 13  1  0  0  0  0
 13 10  1  0  0  0  0
 14 10  2  0  0  0  0
 15 16  1  0  0  0  0
 16  3  1  0  0  0  0
 17 15  2  0  0  0  0
 18  2  1  0  0  0  0
 19  6  1  0  0  0  0
 20  9  2  0  0  0  0
 21 11  2  0  0  0  0
 22 21  1  0  0  0  0
 23 20  1  0  0  0  0
  6  3  1  0  0  0  0
  9 11  1  0  0  0  0
 23 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,469)
1469

>  <Formula> (1,469)
C18H19N3OS

>  <MolWeight> (1,469)
325.42796

>  <COMPOUND_NAME> (1,469)
WAY-350079

>  <BAR_CODE_NO> (1,469)
2560364

$$$$
WAY-350088
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
   13.2667   -7.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3042   -6.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1417   -8.4250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.0792   -6.9167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.0500   -7.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2125   -6.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2792   -8.1542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3500   -6.4917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2917   -4.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7000   -3.7750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7125   -7.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7167   -4.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3250   -4.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6667   -5.4417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.8167   -5.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6917   -5.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8542   -5.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9417   -8.4792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2542   -5.3417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8667   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2792   -6.4375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1000   -9.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9500   -2.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9375   -3.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1000   -1.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0917   -3.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1750   -2.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3167   -1.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3792   -2.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5292   -1.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9 13  1  0  0  0  0
 10  9  2  0  0  0  0
 11  7  2  0  0  0  0
 12 10  1  0  0  0  0
 13 15  1  0  0  0  0
 14  9  1  0  0  0  0
 15 17  1  0  0  0  0
 16 14  1  0  0  0  0
 17  8  1  0  0  0  0
 18  5  2  0  0  0  0
 19  6  2  0  0  0  0
 20 12  1  0  0  0  0
 21 15  2  0  0  0  0
 22  3  1  0  0  0  0
 23  4  1  0  0  0  0
 24 20  1  0  0  0  0
 25 20  2  0  0  0  0
 26 24  2  0  0  0  0
 27 25  1  0  0  0  0
 28 27  2  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
  8 11  1  0  0  0  0
  4  6  1  0  0  0  0
 16 12  2  0  0  0  0
 28 26  1  0  0  0  0
M  END
>  <Mol_ID> (1,470)
1470

>  <Formula> (1,470)
C21H22N6O3S

>  <MolWeight> (1,470)
438.50278

>  <COMPOUND_NAME> (1,470)
WAY-350088

>  <BAR_CODE_NO> (1,470)
2560373

$$$$
WAY-350107
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    5.8292   -4.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7750   -3.3000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.7167   -3.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5750   -4.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9875   -5.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1167   -6.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7625   -4.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5292   -5.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.1167   -8.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3500   -5.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5417   -9.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5292   -7.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3625   -7.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4292   -7.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5750   -6.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9000   -6.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3875   -9.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7625   -6.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8542   -8.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2667   -8.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1292  -10.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6917   -3.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5667  -10.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  2  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  6  8  1  0  0  0  0
  7  4  2  0  0  0  0
  8 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 18  2  0  0  0  0
 11 17  1  0  0  0  0
 12 14  2  0  0  0  0
 13  6  2  0  0  0  0
 14 16  1  0  0  0  0
 15  5  2  0  0  0  0
 16  6  1  0  0  0  0
 17 19  2  0  0  0  0
 18 15  1  0  0  0  0
 19 14  1  0  0  0  0
 20  9  1  0  0  0  0
 21 11  1  0  0  0  0
 22  3  1  0  0  0  0
 23 20  1  0  0  0  0
 24 21  1  0  0  0  0
  2  4  1  0  0  0  0
  7 10  1  0  0  0  0
  9 11  2  0  0  0  0
M  END
>  <Mol_ID> (1,471)
1471

>  <Formula> (1,471)
C18H18N2O3S

>  <MolWeight> (1,471)
342.41212

>  <COMPOUND_NAME> (1,471)
WAY-350107

>  <BAR_CODE_NO> (1,471)
2560336

$$$$
WAY-350147
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    7.8000   -3.8542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7750   -4.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7750   -5.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4375   -4.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7917   -5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8750   -3.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5167   -4.7292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0792   -2.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1292   -2.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7542   -6.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9167   -6.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2917   -5.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2917   -7.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3792   -5.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3792   -7.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6750   -6.5917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0125   -3.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0542   -1.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9042   -4.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9500   -2.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0500   -5.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1375   -5.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8 18  1  0  0  0  0
  9  1  1  0  0  0  0
 10 16  1  0  0  0  0
 11 15  1  0  0  0  0
 12 10  2  0  0  0  0
 13 10  1  0  0  0  0
 14 12  1  0  0  0  0
 15 13  2  0  0  0  0
 16 22  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19  6  2  0  0  0  0
 20  6  1  0  0  0  0
 21  7  1  0  0  0  0
 22 21  1  0  0  0  0
 23 11  1  0  0  0  0
  3  5  1  0  0  0  0
  8 17  2  0  0  0  0
 14 11  2  0  0  0  0
M  END
>  <Mol_ID> (1,472)
1472

>  <Formula> (1,472)
C17H18N4OS

>  <MolWeight> (1,472)
326.41602

>  <COMPOUND_NAME> (1,472)
WAY-350147

>  <BAR_CODE_NO> (1,472)
2560421

$$$$
WAY-350277
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    9.2125   -5.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8625   -5.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9042   -6.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2792   -7.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9667   -8.8417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1750   -4.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2417   -7.6875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8375   -3.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1917   -6.5417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8792   -4.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2542   -6.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8750   -7.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2000   -3.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9292   -7.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9417   -6.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8167   -4.2042    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.8875   -1.8667    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   13.3000  -10.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3167   -8.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9792  -11.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -9.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3292  -11.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4 14  1  0  0  0  0
  5  4  1  0  0  0  0
  6  2  2  0  0  0  0
  7  3  2  0  0  0  0
  8 13  2  0  0  0  0
  9  2  1  0  0  0  0
 10  1  2  0  0  0  0
 11  3  1  0  0  0  0
 12  7  1  0  0  0  0
 13 10  1  0  0  0  0
 14 11  1  0  0  0  0
 15  4  2  0  0  0  0
 16  6  1  0  0  0  0
 17 13  1  0  0  0  0
 18  5  1  0  0  0  0
 19  5  1  0  0  0  0
 20 18  1  0  0  0  0
 21 19  1  0  0  0  0
 22 21  1  0  0  0  0
  6  8  1  0  0  0  0
  9 12  2  0  0  0  0
 22 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,473)
1473

>  <Formula> (1,473)
C15H15Cl2N3O2

>  <MolWeight> (1,473)
340.2045

>  <COMPOUND_NAME> (1,473)
WAY-350277

>  <BAR_CODE_NO> (1,473)
2560496

$$$$
WAY-350313
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    8.3667   -4.1292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2667   -4.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2667   -5.6542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0500   -5.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3625   -6.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3042   -3.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2042   -5.0750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.3750   -2.5667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.2542   -8.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6792   -7.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7167   -3.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6542   -9.1000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.5250   -7.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4292   -2.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3042   -3.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3792   -2.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2667   -4.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7792   -6.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4125   -8.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2667   -6.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9375   -6.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4250   -6.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8 15  2  0  0  0  0
  9 10  1  0  0  0  0
 10 13  1  0  0  0  0
 11  1  1  0  0  0  0
 12  9  1  0  0  0  0
 13 21  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16  6  1  0  0  0  0
 17  6  2  0  0  0  0
 18  7  1  0  0  0  0
 19  9  2  0  0  0  0
 20 10  2  0  0  0  0
 21 18  1  0  0  0  0
 22 20  1  0  0  0  0
 23 22  2  0  0  0  0
  3  5  1  0  0  0  0
  8 14  1  0  0  0  0
 19 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,474)
1474

>  <Formula> (1,474)
C16H15ClN4OS

>  <MolWeight> (1,474)
346.8345

>  <COMPOUND_NAME> (1,474)
WAY-350313

>  <BAR_CODE_NO> (1,474)
2560560

$$$$
WAY-350318
csChFnd80/06171916322D

 33 37  0  0  0  0  0  0  0  0999 V2000
    9.2792   -5.2292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9500   -6.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9417   -5.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2667   -7.5625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2667   -6.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3250   -8.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3042   -7.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9375   -7.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9542   -4.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9917   -7.5542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3167   -6.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9792   -8.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9750   -6.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2917   -6.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -9.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2667   -4.0667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9625   -7.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3042   -9.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2792   -2.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9917   -5.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3250  -11.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9792  -11.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9292   -6.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9167   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9917  -12.2042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3000   -4.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2667   -8.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9542   -1.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2792   -1.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2542   -7.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9750   -2.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9167   -8.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3042   -1.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6 12  1  0  0  0  0
  7 17  1  0  0  0  0
  8  5  1  0  0  0  0
  9  1  1  0  0  0  0
 10 11  1  0  0  0  0
 11 13  1  0  0  0  0
 12  7  1  0  0  0  0
 13  7  2  0  0  0  0
 14  2  1  0  0  0  0
 15  6  2  0  0  0  0
 16  3  2  0  0  0  0
 17 14  1  0  0  0  0
 18 12  2  0  0  0  0
 19  9  1  0  0  0  0
 20 11  2  0  0  0  0
 21 22  2  0  0  0  0
 22 18  1  0  0  0  0
 23  5  2  0  0  0  0
 24 19  1  0  0  0  0
 25 21  1  0  0  0  0
 26  9  2  0  0  0  0
 27  8  2  0  0  0  0
 28 19  2  0  0  0  0
 29 24  1  0  0  0  0
 30 23  1  0  0  0  0
 31 26  1  0  0  0  0
 32 30  2  0  0  0  0
 33 31  2  0  0  0  0
  8  4  1  0  0  0  0
 33 28  1  0  0  0  0
 32 27  1  0  0  0  0
 10  6  1  0  0  0  0
 21 15  1  0  0  0  0
M  END
>  <Mol_ID> (1,475)
1475

>  <Formula> (1,475)
C25H18N2O5S

>  <MolWeight> (1,475)
458.48582

>  <COMPOUND_NAME> (1,475)
WAY-350318

>  <BAR_CODE_NO> (1,475)
2560565

$$$$
WAY-350321
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   12.7375  -12.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4167  -13.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4125  -12.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7167  -13.6042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.6167  -11.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8375  -12.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7292  -11.6250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7667  -15.0542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7625  -13.9250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4375  -15.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3917  -11.6500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.7042  -10.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3167  -10.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -11.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7292  -12.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3625  -10.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3792   -9.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7042   -8.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7000   -9.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3667   -8.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  2  0  0  0  0
  7  3  1  0  0  0  0
  8  2  1  0  0  0  0
  9  3  2  0  0  0  0
 10  9  1  0  0  0  0
 11  7  1  0  0  0  0
 12 11  1  0  0  0  0
 13  5  1  0  0  0  0
 14  6  1  0  0  0  0
 15 11  1  0  0  0  0
 16 12  2  0  0  0  0
 17 12  1  0  0  0  0
 18 17  2  0  0  0  0
 19 16  1  0  0  0  0
 20 18  1  0  0  0  0
  6  4  1  0  0  0  0
 10  8  2  0  0  0  0
 20 19  2  0  0  0  0
M  END
>  <Mol_ID> (1,476)
1476

>  <Formula> (1,476)
C16H17N3S

>  <MolWeight> (1,476)
283.39128

>  <COMPOUND_NAME> (1,476)
WAY-350321

>  <BAR_CODE_NO> (1,476)
2560568

$$$$
WAY-350388
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
    6.7792   -5.6417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.1417   -8.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9667   -8.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5292   -8.6917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.9542   -7.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3917   -6.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7625   -7.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5542   -6.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7292   -9.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9250   -9.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3750   -7.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1792   -4.6292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5667   -6.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7750   -6.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7917   -5.0375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7292   -6.5250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.1875   -7.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3625   -9.7042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0792   -5.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9667   -4.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8125   -7.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1292  -10.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5167  -10.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4250   -8.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7500   -3.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9917   -4.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6250   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7250  -11.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9167  -11.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3 11  1  0  0  0  0
  4 10  1  0  0  0  0
  5  7  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  2  0  0  0  0
  8  5  1  0  0  0  0
  9  2  1  0  0  0  0
 10  9  1  0  0  0  0
 11 17  1  0  0  0  0
 12  1  1  0  0  0  0
 13  6  2  0  0  0  0
 14  1  2  0  0  0  0
 15  1  2  0  0  0  0
 16  8  1  0  0  0  0
 17 13  1  0  0  0  0
 18  3  2  0  0  0  0
 19  8  2  0  0  0  0
 20 16  1  0  0  0  0
 21 19  1  0  0  0  0
 22  6  1  0  0  0  0
 23  9  2  0  0  0  0
 24 10  2  0  0  0  0
 25 22  2  0  0  0  0
 26 12  1  0  0  0  0
 27 12  1  0  0  0  0
 28 25  1  0  0  0  0
 29 23  1  0  0  0  0
 30 29  2  0  0  0  0
 28 17  2  0  0  0  0
  4  5  2  0  0  0  0
 24 30  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (1,477)
1477

>  <Formula> (1,477)
C22H19N3O3S2

>  <MolWeight> (1,477)
437.53456

>  <COMPOUND_NAME> (1,477)
WAY-350388

>  <BAR_CODE_NO> (1,477)
2560666

$$$$
WAY-350418
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
    7.8542   -8.8042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.0917   -8.8042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4917   -7.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4792   -6.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4625   -7.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5875   -8.8917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9292  -10.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8167   -9.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -9.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.7625   -9.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7000   -7.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5292   -9.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0542   -9.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3500   -5.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3125   -7.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0167  -10.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7875   -8.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7875  -10.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5417   -8.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1917   -5.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1792   -5.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6  1  2  0  0  0  0
  7  1  2  0  0  0  0
  8  2  1  0  0  0  0
  9 10  3  0  0  0  0
 10 12  1  0  0  0  0
 11  3  2  0  0  0  0
 12 17  1  0  0  0  0
 13  8  1  0  0  0  0
 14  4  1  0  0  0  0
 15  5  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 13  2  0  0  0  0
 19 13  1  0  0  0  0
 20 21  1  0  0  0  0
 21 15  2  0  0  0  0
  4  3  1  0  0  0  0
 14 20  2  0  0  0  0
 12 16  2  0  0  0  0
M  END
>  <Mol_ID> (1,478)
1478

>  <Formula> (1,478)
C15H10N2O3S

>  <MolWeight> (1,478)
298.3165

>  <COMPOUND_NAME> (1,478)
WAY-350418

>  <BAR_CODE_NO> (1,478)
2560648

$$$$
WAY-350471
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   10.5792   -8.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7167  -10.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3667   -8.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8792  -10.2542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.0292   -7.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0667   -8.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2167   -6.9917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6417  -12.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2917  -10.8292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -1.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4292  -12.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2875   -5.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1042   -7.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0042   -3.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0375    0.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1542   -3.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9750   -5.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9667   -1.7625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5292   -4.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  2  0  0  0  0
  7  3  1  0  0  0  0
  8  2  1  0  0  0  0
  9  3  2  0  0  0  0
 10 14  1  0  0  0  0
 11  9  1  0  0  0  0
 12  7  1  0  0  0  0
 13  7  1  0  0  0  0
 14 17  1  0  0  0  0
 15 10  2  0  0  0  0
 16 12  1  0  0  0  0
 17 13  1  0  0  0  0
 18 10  1  0  0  0  0
 19  5  1  0  0  0  0
 20  6  1  0  0  0  0
  6  4  1  0  0  0  0
 11  8  2  0  0  0  0
 16 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,479)
1479

>  <Formula> (1,479)
C14H18N4OS

>  <MolWeight> (1,479)
290.38392

>  <COMPOUND_NAME> (1,479)
WAY-350471

>  <BAR_CODE_NO> (1,479)
2560755

$$$$
WAY-350547
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   10.9042   -6.0750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0375   -4.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5917   -4.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6042   -6.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8875   -5.8917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9042   -3.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7542   -3.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4750   -4.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6167   -3.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6667   -1.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8042   -1.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4500   -0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4500   -3.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0167   -0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0167   -3.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1875   -3.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9250   -1.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4542   -7.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3917   -1.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1500   -4.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7000   -3.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1292   -7.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  2  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  2  0  0  0  0
  9  8  1  0  0  0  0
 10 13  2  0  0  0  0
 11 19  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 11  1  0  0  0  0
 15 11  2  0  0  0  0
 16  7  1  0  0  0  0
 17 10  1  0  0  0  0
 18  4  1  0  0  0  0
 19 16  1  0  0  0  0
 20  8  1  0  0  0  0
 21 17  1  0  0  0  0
 22 18  2  0  0  0  0
 23 22  1  0  0  0  0
  6  9  2  0  0  0  0
 20 23  2  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <Mol_ID> (1,480)
1480

>  <Formula> (1,480)
C19H18N2O2

>  <MolWeight> (1,480)
306.35842

>  <COMPOUND_NAME> (1,480)
WAY-350547

>  <BAR_CODE_NO> (1,480)
2560746

$$$$
WAY-350598
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   13.5042  -12.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1375  -13.5792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.8917  -12.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9000  -13.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4917   -7.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8125   -8.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4417  -10.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8375  -10.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9125  -14.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8667   -6.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7792   -9.5375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4500   -9.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7042  -11.9542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5042   -8.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5417   -6.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8292   -7.2167    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.8625   -7.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9000   -4.8417    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.5542  -13.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5875  -15.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2375  -15.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2667  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  6  2  0  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
  8  1  1  0  0  0  0
  9  4  2  0  0  0  0
 10  5  1  0  0  0  0
 11  7  1  0  0  0  0
 12 11  1  0  0  0  0
 13  7  2  0  0  0  0
 14  6  1  0  0  0  0
 15 17  1  0  0  0  0
 16  5  1  0  0  0  0
 17 14  2  0  0  0  0
 18 15  1  0  0  0  0
 19  4  1  0  0  0  0
 20  9  1  0  0  0  0
 21 19  2  0  0  0  0
 22 21  1  0  0  0  0
  9  2  1  0  0  0  0
 20 22  2  0  0  0  0
 10 15  2  0  0  0  0
M  END
>  <Mol_ID> (1,481)
1481

>  <Formula> (1,481)
C17H14Cl2N2O

>  <MolWeight> (1,481)
333.21186

>  <COMPOUND_NAME> (1,481)
WAY-350598

>  <BAR_CODE_NO> (1,481)
2560851

$$$$
WAY-350677
csChFnd80/06171916322D

 23 24  0  0  0  0  0  0  0  0999 V2000
   10.4792   -6.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4167   -4.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5292   -4.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8125   -4.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7375   -3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7000   -6.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4417   -3.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7667   -4.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8875   -3.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8875   -7.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7417   -5.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8167   -5.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3167   -5.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4042   -7.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5167   -1.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9000   -5.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.4542   -5.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7917   -1.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3792   -6.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7417   -7.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6875   -5.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.3625    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.5917   -3.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  8  1  0  0  0  0
  3  4  1  0  0  0  0
  4  7  2  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  5  1  0  0  0  0
  8 17  1  0  0  0  0
  9 15  1  0  0  0  0
 10  1  2  0  0  0  0
 11  2  2  0  0  0  0
 12  1  1  0  0  0  0
 13  6  1  0  0  0  0
 14  6  2  0  0  0  0
 15 18  2  0  0  0  0
 16  3  1  0  0  0  0
 17 12  1  0  0  0  0
 18  7  1  0  0  0  0
 19 20  2  0  0  0  0
 20 14  1  0  0  0  0
 21 13  2  0  0  0  0
 22 19  1  0  0  0  0
 23  9  1  0  0  0  0
 19 21  1  0  0  0  0
  3  9  2  0  0  0  0
M  END
>  <Mol_ID> (1,482)
1482

>  <Formula> (1,482)
C17H16ClFN2O2

>  <MolWeight> (1,482)
334.7725432

>  <COMPOUND_NAME> (1,482)
WAY-350677

>  <BAR_CODE_NO> (1,482)
2560930

$$$$
WAY-350722
csChFnd80/06171916322D

 23 24  0  0  0  0  0  0  0  0999 V2000
   10.2625   -6.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2792   -2.5917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9375   -2.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0042   -3.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2667   -1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9292   -1.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5250   -6.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4167   -3.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6500   -7.2792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3167   -5.0417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5542   -4.9542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2792   -3.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1542   -4.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2667   -7.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2750   -2.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9167   -0.3167    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.1375   -4.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3125   -6.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9542   -3.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6625   -7.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5792   -4.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708   -2.6667    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  2  1  0  0  0  0
  4  8  1  0  0  0  0
  5  3  2  0  0  0  0
  6  5  1  0  0  0  0
  7  1  1  0  0  0  0
  8 17  1  0  0  0  0
  9  1  2  0  0  0  0
 10  4  2  0  0  0  0
 11  1  1  0  0  0  0
 12  3  1  0  0  0  0
 13  7  1  0  0  0  0
 14  7  2  0  0  0  0
 15 19  1  0  0  0  0
 16  5  1  0  0  0  0
 17 11  1  0  0  0  0
 18 20  2  0  0  0  0
 19 12  2  0  0  0  0
 20 14  1  0  0  0  0
 21 13  2  0  0  0  0
 22 15  1  0  0  0  0
 23 18  1  0  0  0  0
 18 21  1  0  0  0  0
 15  6  2  0  0  0  0
M  END
>  <Mol_ID> (1,483)
1483

>  <Formula> (1,483)
C16H13ClF2N2O2

>  <MolWeight> (1,483)
338.7364264

>  <COMPOUND_NAME> (1,483)
WAY-350722

>  <BAR_CODE_NO> (1,483)
2561032

$$$$
WAY-350725
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
   11.4625   -5.4917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8667   -4.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1625   -5.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8292   -3.4875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7667   -4.2500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.2167   -6.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5167   -6.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2875   -7.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5792   -7.4625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4792   -4.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1167   -3.8542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3750   -6.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5917   -4.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9000   -4.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8875   -8.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0417   -5.2250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9417   -9.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8167   -3.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8417   -5.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5542   -5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5250   -3.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3750   -3.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2917   -4.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5750   -3.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6042   -5.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  5  1  0  0  0  0
 11  2  2  0  0  0  0
 12  3  2  0  0  0  0
 13 14  1  0  0  0  0
 14 21  2  0  0  0  0
 15  8  2  0  0  0  0
 16  7  2  0  0  0  0
 17  9  1  0  0  0  0
 18 15  1  0  0  0  0
 19 10  1  0  0  0  0
 20 10  2  0  0  0  0
 21 20  1  0  0  0  0
 22 19  2  0  0  0  0
 23  5  1  0  0  0  0
 24 13  1  0  0  0  0
 25 13  1  0  0  0  0
 26 13  1  0  0  0  0
  5  4  1  0  0  0  0
 18 17  2  0  0  0  0
 14 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,484)
1484

>  <Formula> (1,484)
C20H23N3O3

>  <MolWeight> (1,484)
353.41492

>  <COMPOUND_NAME> (1,484)
WAY-350725

>  <BAR_CODE_NO> (1,484)
2561035

$$$$
WAY-350726
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    7.7417   -6.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3542   -7.3417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6167   -9.4167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2792  -10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5417  -10.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2000  -11.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5417   -6.3792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3167   -5.2917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5542   -7.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7792   -8.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3917   -9.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1667   -8.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4750  -11.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6750  -11.6125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1375  -12.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5500  -13.7042    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.4875   -4.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9167   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6917   -4.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0750  -10.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4000  -12.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3375  -10.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -11.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3 11  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  1  1  0  0  0  0
  8  1  2  0  0  0  0
  9  2  1  0  0  0  0
 10  2  1  0  0  0  0
 11 10  1  0  0  0  0
 12  9  1  0  0  0  0
 13  6  1  0  0  0  0
 14  4  2  0  0  0  0
 15 13  2  0  0  0  0
 16 15  1  0  0  0  0
 17 19  2  0  0  0  0
 18  7  2  0  0  0  0
 19  8  1  0  0  0  0
 20 13  1  0  0  0  0
 21 15  1  0  0  0  0
 22 20  2  0  0  0  0
 23 22  1  0  0  0  0
 18 17  1  0  0  0  0
 12  3  1  0  0  0  0
 21 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,485)
1485

>  <Formula> (1,485)
C17H17ClN4O

>  <MolWeight> (1,485)
328.79608

>  <COMPOUND_NAME> (1,485)
WAY-350726

>  <BAR_CODE_NO> (1,485)
2561036

$$$$
WAY-350916
csChFnd80/06171916322D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -1.2291   -4.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5648   -5.0869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2291   -2.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0995   -5.0869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5648   -6.6215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9005   -4.3125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0995   -1.9964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0995   -6.6215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2291   -7.4030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0995   -0.4618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4280    0.2771    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2291    0.2984    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4280    1.8188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7566    2.5861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7566    4.1349    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4280    4.9022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0923    4.9022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4280    6.4439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0923    6.4439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7566    7.2254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
  8  9  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,486)
1486

>  <Formula> (1,486)
C15H19ClN2O2

>  <MolWeight> (1,486)
294.77656

>  <COMPOUND_NAME> (1,486)
WAY-350916

>  <BAR_CODE_NO> (1,486)
2561400

$$$$
WAY-350920
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   13.2125  -10.4667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6042   -9.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2042   -8.7917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.2000  -10.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1917   -9.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2875   -7.8625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3250   -7.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0000   -8.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4792   -7.8625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4875   -9.6542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5667   -9.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3625   -7.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4417   -7.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0417   -8.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8792   -8.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8792   -6.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9250   -8.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9250   -6.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0917  -10.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0875   -8.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -10.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9917   -9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  7  3  0  0  0  0
  7 12  1  0  0  0  0
  8 14  1  0  0  0  0
  9  8  1  0  0  0  0
 10  8  2  0  0  0  0
 11  2  1  0  0  0  0
 12 16  2  0  0  0  0
 13  9  1  0  0  0  0
 14 11  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 13  1  0  0  0  0
 18 13  2  0  0  0  0
 19  4  2  0  0  0  0
 20  5  2  0  0  0  0
 21 19  1  0  0  0  0
 22 21  2  0  0  0  0
  5  3  1  0  0  0  0
 22 20  1  0  0  0  0
 12 15  1  0  0  0  0
M  END
>  <Mol_ID> (1,487)
1487

>  <Formula> (1,487)
C17H13N3OS

>  <MolWeight> (1,487)
307.36962

>  <COMPOUND_NAME> (1,487)
WAY-350920

>  <BAR_CODE_NO> (1,487)
2561404

$$$$
WAY-350926
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -2.9000    0.2125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4958   -0.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583   -1.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3042   -2.0917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3083    0.9083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4750   -1.1792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7875   -1.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4000   -2.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0917   -2.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6958   -0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6083   -0.1917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2083    0.6125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6417   -3.2542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   -2.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4917   -1.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2958   -1.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8875   -1.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4750   -2.6417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042   -1.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0417   -1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4875   -1.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6875   -1.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1125    0.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9083    1.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7083   -1.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  6  1  0  0  0  0
  4 15  1  0  0  0  0
  5  1  1  0  0  0  0
  6 16  1  0  0  0  0
  7  3  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  2  0  0  0  0
 10  2  2  0  0  0  0
 11  1  2  0  0  0  0
 12  1  2  0  0  0  0
 13  9  1  0  0  0  0
 14  7  1  0  0  0  0
 15 20  2  0  0  0  0
 16 10  1  0  0  0  0
 17  2  1  0  0  0  0
 18  3  2  0  0  0  0
 19  7  2  0  0  0  0
 20 19  1  0  0  0  0
 21 17  2  0  0  0  0
 22 21  1  0  0  0  0
 23  5  1  0  0  0  0
 24  5  1  0  0  0  0
 25 17  1  0  0  0  0
 16 22  2  0  0  0  0
 15  9  1  0  0  0  0
  4  8  2  0  0  0  0
M  END
>  <Mol_ID> (1,488)
1488

>  <Formula> (1,488)
C17H17N3O3S2

>  <MolWeight> (1,488)
375.46518

>  <COMPOUND_NAME> (1,488)
WAY-350926

>  <BAR_CODE_NO> (1,488)
2561178

$$$$
WAY-350930
csChFnd80/06171916322D

 23 24  0  0  0  0  0  0  0  0999 V2000
   10.4542   -4.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4792   -6.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0750   -5.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4500   -3.3292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0625   -3.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7625   -4.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4500   -6.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9292   -6.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3042   -8.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9125   -3.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9750   -7.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4167   -2.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792   -1.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8792   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792   -3.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0792   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0750   -0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3042   -3.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458   -1.9375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -5.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5000   -1.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333   -3.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  6  2  0  0  0  0
  9  7  2  0  0  0  0
 10  6  1  0  0  0  0
 11  2  1  0  0  0  0
 12  5  1  0  0  0  0
 13 16  1  0  0  0  0
 14 22  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 14  2  0  0  0  0
 18 14  1  0  0  0  0
 19 10  1  0  0  0  0
 20 13  1  0  0  0  0
 21  7  1  0  0  0  0
 22 19  1  0  0  0  0
 23 20  1  0  0  0  0
  5  3  2  0  0  0  0
 13 15  2  0  0  0  0
M  END
>  <Mol_ID> (1,489)
1489

>  <Formula> (1,489)
C18H22N2O3

>  <MolWeight> (1,489)
314.37888

>  <COMPOUND_NAME> (1,489)
WAY-350930

>  <BAR_CODE_NO> (1,489)
2561182

$$$$
WAY-350968
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
    5.9292   -9.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7625   -8.2292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.5792   -9.8167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7792  -11.4167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4917  -11.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1542  -11.0792    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.7625  -10.8042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0792  -12.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8667   -8.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5125   -9.4792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7167  -12.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8667   -9.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4375  -10.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7625  -12.6542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6167   -8.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6417  -13.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0750  -10.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4500   -6.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2875  -13.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -12.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  4  1  0  0  0  0
  8  6  1  0  0  0  0
  9  2  1  0  0  0  0
 10 12  1  0  0  0  0
 11  8  1  0  0  0  0
 12  6  1  0  0  0  0
 13 10  1  0  0  0  0
 14  5  2  0  0  0  0
 15  9  1  0  0  0  0
 16 11  2  0  0  0  0
 17 13  2  0  0  0  0
 18 15  1  0  0  0  0
 19 16  1  0  0  0  0
 20 17  1  0  0  0  0
  7  9  2  0  0  0  0
 13 11  1  0  0  0  0
 20 19  2  0  0  0  0
M  END
>  <Mol_ID> (1,490)
1490

>  <Formula> (1,490)
C13H13N3O3S

>  <MolWeight> (1,490)
291.32562

>  <COMPOUND_NAME> (1,490)
WAY-350968

>  <BAR_CODE_NO> (1,490)
2561258

$$$$
WAY-351044
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
    7.7542    3.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7125    4.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8917    3.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5375    4.8125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6250    1.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4000    3.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0250    4.9667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3667    8.0167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4417    1.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5542    9.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4667   11.0167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8292    6.4792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9375    1.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2750    5.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9167    6.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4625    6.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1042    7.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2167    3.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1792    4.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3042    0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8125    9.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1375    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6417   12.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0917    1.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000    4.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8917   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  2  0  0  0  0
  6  9  2  0  0  0  0
  7  3  1  0  0  0  0
  8 17  1  0  0  0  0
  9  5  1  0  0  0  0
 10  8  1  0  0  0  0
 11 10  2  0  0  0  0
 12  2  2  0  0  0  0
 13  3  2  0  0  0  0
 14  7  1  0  0  0  0
 15  7  1  0  0  0  0
 16 14  1  0  0  0  0
 17 15  1  0  0  0  0
 18  6  1  0  0  0  0
 19 18  1  0  0  0  0
 20  9  1  0  0  0  0
 21 10  1  0  0  0  0
 22 20  2  0  0  0  0
 23 11  1  0  0  0  0
 24 22  1  0  0  0  0
 25 19  1  0  0  0  0
 26 21  2  0  0  0  0
 27 26  1  0  0  0  0
  6  4  1  0  0  0  0
  8 16  1  0  0  0  0
 18 24  2  0  0  0  0
 23 27  2  0  0  0  0
M  END
>  <Mol_ID> (1,491)
1491

>  <Formula> (1,491)
C20H19N3O4

>  <MolWeight> (1,491)
365.38256

>  <COMPOUND_NAME> (1,491)
WAY-351044

>  <BAR_CODE_NO> (1,491)
2563294

$$$$
WAY-351103
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
    6.7417   -8.4542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4875   -9.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6292  -12.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3667  -12.7250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7500  -10.4875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5542  -10.1042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2542  -11.6292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5500   -8.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2625  -13.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6375  -14.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7417  -13.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0750   -7.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3792  -14.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7417   -9.4542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.6292  -10.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2542   -9.4542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3667  -10.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1875   -6.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2792   -6.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5167  -13.8167    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.7542  -16.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.7375   -4.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6167   -5.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5042   -5.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0667   -3.5917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4875  -13.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1792   -2.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  7  1  0  0  0  0
  4  3  2  0  0  0  0
  5  2  2  0  0  0  0
  6  8  2  0  0  0  0
  7 15  1  0  0  0  0
  8  1  1  0  0  0  0
  9  3  1  0  0  0  0
 10  9  2  0  0  0  0
 11  4  1  0  0  0  0
 12  1  1  0  0  0  0
 13 10  1  0  0  0  0
 14  2  1  0  0  0  0
 15 17  1  0  0  0  0
 16 15  2  0  0  0  0
 17 14  1  0  0  0  0
 18 12  2  0  0  0  0
 19 12  1  0  0  0  0
 20  9  1  0  0  0  0
 21 13  1  0  0  0  0
 22 23  1  0  0  0  0
 23 19  2  0  0  0  0
 24 18  1  0  0  0  0
 25 22  1  0  0  0  0
 26 11  1  0  0  0  0
 27 25  1  0  0  0  0
  6  5  1  0  0  0  0
 22 24  2  0  0  0  0
 11 13  2  0  0  0  0
M  END
>  <Mol_ID> (1,492)
1492

>  <Formula> (1,492)
C17H15Cl2N5O2S

>  <MolWeight> (1,492)
424.3043

>  <COMPOUND_NAME> (1,492)
WAY-351103

>  <BAR_CODE_NO> (1,492)
2561275

$$$$
WAY-351140
csChFnd80/06171916322D

 27 28  0  0  0  0  0  0  0  0999 V2000
   13.8875  -12.7292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0167  -14.3167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9792  -11.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9000  -14.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0625  -11.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1000  -12.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1167   -9.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3375   -4.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8000  -16.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3625   -7.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4000   -6.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2000  -12.5542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9667   -9.4500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3792   -2.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2167   -9.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2667   -7.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0417   -7.8042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4167   -9.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7792  -12.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0292  -15.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2792   -2.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917   -4.7667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3792   -1.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042   -1.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4083   -4.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542    0.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3625    0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  2  0  0  0  0
  6  2  1  0  0  0  0
  7  5  1  0  0  0  0
  8 11  2  0  0  0  0
  9  4  2  0  0  0  0
 10 16  1  0  0  0  0
 11 10  1  0  0  0  0
 12  6  2  0  0  0  0
 13  3  1  0  0  0  0
 14  8  1  0  0  0  0
 15  7  1  0  0  0  0
 16 15  1  0  0  0  0
 17  7  2  0  0  0  0
 18 10  2  0  0  0  0
 19  1  1  0  0  0  0
 20  2  1  0  0  0  0
 21 14  2  0  0  0  0
 22 21  1  0  0  0  0
 23 14  1  0  0  0  0
 24 21  1  0  0  0  0
 25 22  1  0  0  0  0
 26 27  1  0  0  0  0
 27 23  2  0  0  0  0
  5  6  1  0  0  0  0
 24 26  2  0  0  0  0
M  END
>  <Mol_ID> (1,493)
1493

>  <Formula> (1,493)
C18H19N3O6

>  <MolWeight> (1,493)
373.35996

>  <COMPOUND_NAME> (1,493)
WAY-351140

>  <BAR_CODE_NO> (1,493)
2561393

$$$$
WAY-351142
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
   14.7917   -8.4542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9417   -9.4542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.2167   -7.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1500   -9.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9917   -7.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3667   -8.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6792   -4.3042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5292   -4.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5292   -5.8792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3792   -5.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6667   -6.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4042   -6.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5917   -5.2792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.7167  -10.5417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1625   -8.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8667   -6.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5292   -4.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1917   -6.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0042   -5.2917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3042  -10.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0500   -3.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6167   -2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4500   -4.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4500   -3.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6250   -2.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5292   -2.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  2  0  0  0  0
  6  2  1  0  0  0  0
  7 10  1  0  0  0  0
  8  7  1  0  0  0  0
  9 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 10  2  0  0  0  0
 12  5  1  0  0  0  0
 13 18  1  0  0  0  0
 14  4  2  0  0  0  0
 15  6  2  0  0  0  0
 16  3  1  0  0  0  0
 17  8  1  0  0  0  0
 18 12  1  0  0  0  0
 19 12  2  0  0  0  0
 20  1  1  0  0  0  0
 21  2  1  0  0  0  0
 22  7  1  0  0  0  0
 23 17  1  0  0  0  0
 24 17  2  0  0  0  0
 25 24  1  0  0  0  0
 26 23  2  0  0  0  0
 27 25  2  0  0  0  0
  5  6  1  0  0  0  0
  9  8  2  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (1,494)
1494

>  <Formula> (1,494)
C17H18N6O3S

>  <MolWeight> (1,494)
386.42822

>  <COMPOUND_NAME> (1,494)
WAY-351142

>  <BAR_CODE_NO> (1,494)
2561395

$$$$
WAY-351145
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
    8.7667   -4.5417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6125   -4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2292   -7.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5875   -6.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8417   -8.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4625   -5.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8375   -9.5917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7500   -6.5250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.4375   -7.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8250   -8.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5375   -4.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5167   -6.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6917   -5.5792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.2792   -6.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4917   -3.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0500   -5.5750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1625   -3.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7792  -11.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8417  -10.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7875  -12.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6542   -9.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -9.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5000   -4.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5417   -2.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4125   -2.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4167   -4.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3875   -3.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3 12  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  2  0  0  0  0
  6  1  1  0  0  0  0
  7  5  1  0  0  0  0
  8  6  2  0  0  0  0
  9  3  1  0  0  0  0
 10  9  2  0  0  0  0
 11  2  1  0  0  0  0
 12 14  1  0  0  0  0
 13  6  1  0  0  0  0
 14 13  1  0  0  0  0
 15 11  2  0  0  0  0
 16 12  2  0  0  0  0
 17  1  1  0  0  0  0
 18 19  1  0  0  0  0
 19  7  1  0  0  0  0
 20 18  2  0  0  0  0
 21  5  1  0  0  0  0
 22 10  1  0  0  0  0
 23 11  1  0  0  0  0
 24 15  1  0  0  0  0
 25 15  1  0  0  0  0
 26 23  2  0  0  0  0
 27 26  1  0  0  0  0
  8  4  1  0  0  0  0
 27 25  2  0  0  0  0
 10  7  1  0  0  0  0
M  END
>  <Mol_ID> (1,495)
1495

>  <Formula> (1,495)
C21H24N4OS

>  <MolWeight> (1,495)
380.50646

>  <COMPOUND_NAME> (1,495)
WAY-351145

>  <BAR_CODE_NO> (1,495)
2561398

$$$$
WAY-351208
csChFnd80/06171916322D

 29 31  0  0  0  0  0  0  0  0999 V2000
    9.9042   -4.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4375   -5.4042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4917   -5.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4292   -4.4167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9042   -4.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4792   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1875   -6.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1500   -5.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4042   -4.0542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8792   -6.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8250   -6.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9250   -4.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4042   -5.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1750   -6.6625    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.4167   -4.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3625   -4.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4125   -4.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0417   -5.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6542   -7.4042    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.4167   -4.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4167   -5.7792    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.9250   -4.9167    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.9542   -3.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3125   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -4.8667    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.9125   -4.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9167   -3.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9125   -3.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9125   -4.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  2  0  0  0  0
  4  6  2  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  5  1  0  0  0  0
 10  8  1  0  0  0  0
 11 10  2  0  0  0  0
 12 15  1  0  0  0  0
 13  5  2  0  0  0  0
 14  3  1  0  0  0  0
 15 20  1  0  0  0  0
 16  8  2  0  0  0  0
 17  9  1  0  0  0  0
 18 24  2  0  0  0  0
 19 10  1  0  0  0  0
 20 28  2  0  0  0  0
 21 12  1  0  0  0  0
 22 12  1  0  0  0  0
 23  6  1  0  0  0  0
 24 16  1  0  0  0  0
 25 18  1  0  0  0  0
 26 17  1  0  0  0  0
 27 17  2  0  0  0  0
 28 27  1  0  0  0  0
 29 26  2  0  0  0  0
  2  4  1  0  0  0  0
 20 29  1  0  0  0  0
 18 11  1  0  0  0  0
M  END
>  <Mol_ID> (1,496)
1496

>  <Formula> (1,496)
C19H14Cl3F2N3O2

>  <MolWeight> (1,496)
460.6891664

>  <COMPOUND_NAME> (1,496)
WAY-351208

>  <BAR_CODE_NO> (1,496)
2561423

$$$$
WAY-351220
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   12.7375   -5.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7917   -7.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6875   -5.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7792   -9.3125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6667   -7.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.8000   -7.0667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.7167   -9.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -5.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1042   -4.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6292   -3.9792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292   -2.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7167   -2.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042   -4.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042   -0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7417   -4.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7417   -0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6792   -3.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458   -2.3542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7000   -2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1083   -4.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  2  0  0  0  0
  6  2  1  0  0  0  0
  7  5  1  0  0  0  0
  8  9  2  0  0  0  0
  9  1  1  0  0  0  0
 10  3  1  0  0  0  0
 11 14  1  0  0  0  0
 12 19  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 12  2  0  0  0  0
 16 12  1  0  0  0  0
 17 10  1  0  0  0  0
 18 11  1  0  0  0  0
 19 17  1  0  0  0  0
 20 18  1  0  0  0  0
  6  8  1  0  0  0  0
  7  4  2  0  0  0  0
 11 13  2  0  0  0  0
M  END
>  <Mol_ID> (1,497)
1497

>  <Formula> (1,497)
C15H15N3OS

>  <MolWeight> (1,497)
285.3641

>  <COMPOUND_NAME> (1,497)
WAY-351220

>  <BAR_CODE_NO> (1,497)
2561433

$$$$
WAY-351351
csChFnd80/06171916322D

 14 15  0  0  0  0  0  0  0  0999 V2000
    1.4542   -0.7042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3917    0.6208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9417   -0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1875    0.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2250   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1125   -0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458   -0.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9250   -0.8542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1333    0.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1333   -0.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000   -0.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000    0.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8917   -1.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5875   -2.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  1  1  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  9  2  0  0  0  0
  8  5  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  2  0  0  0  0
 11  6  1  0  0  0  0
 12  6  2  0  0  0  0
 13  8  1  0  0  0  0
 14 13  1  0  0  0  0
  4  2  1  0  0  0  0
 10  7  1  0  0  0  0
M  END
>  <Mol_ID> (1,498)
1498

>  <Formula> (1,498)
C9H9N3OS

>  <MolWeight> (1,498)
207.25226

>  <COMPOUND_NAME> (1,498)
WAY-351351

>  <BAR_CODE_NO> (1,498)
2561700

$$$$
WAY-351367
csChFnd80/06171916322D

 28 30  0  0  0  0  0  0  0  0999 V2000
   14.8042   -8.4375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9750   -9.4042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.2500   -7.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1625   -9.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0417   -7.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4167   -8.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7917   -4.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6375   -4.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6167   -5.8500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4917   -5.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7792   -6.2292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4667   -6.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6875   -5.2625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.7542   -3.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7125  -10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2167   -8.2625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9000   -6.3667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2667   -6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0667   -5.2917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3292  -10.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8625   -2.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7667   -4.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1750   -3.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0125   -2.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9917   -2.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8917   -3.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1250   -2.0667    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  2  0  0  0  0
  6  2  1  0  0  0  0
  7 10  1  0  0  0  0
  8  7  1  0  0  0  0
  9 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 10  2  0  0  0  0
 12  5  1  0  0  0  0
 13 18  1  0  0  0  0
 14  8  1  0  0  0  0
 15  4  2  0  0  0  0
 16  6  2  0  0  0  0
 17  3  1  0  0  0  0
 18 12  1  0  0  0  0
 19 12  2  0  0  0  0
 20  1  1  0  0  0  0
 21  2  1  0  0  0  0
 22 14  2  0  0  0  0
 23 14  1  0  0  0  0
 24  7  1  0  0  0  0
 25 27  1  0  0  0  0
 26 22  1  0  0  0  0
 27 23  2  0  0  0  0
 28 25  1  0  0  0  0
  5  6  1  0  0  0  0
  9  8  2  0  0  0  0
 26 25  2  0  0  0  0
M  END
>  <Mol_ID> (1,499)
1499

>  <Formula> (1,499)
C17H17FN6O3S

>  <MolWeight> (1,499)
404.4186832

>  <COMPOUND_NAME> (1,499)
WAY-351367

>  <BAR_CODE_NO> (1,499)
2561609

$$$$
WAY-351475
csChFnd80/06171916322D

 29 31  0  0  0  0  0  0  0  0999 V2000
   13.8792  -11.0792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1292   -9.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8417  -10.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8042  -10.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3292   -9.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5542   -6.3750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6667   -8.4917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2250   -7.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9167  -12.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8750  -14.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3292   -6.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4417   -8.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3375   -8.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7750   -7.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9167  -14.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8792  -12.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4417   -7.3417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.1125   -8.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8917   -7.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2167  -13.7917    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.8292  -15.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.5292  -15.8875    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.8667   -9.6542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6542   -5.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7042  -10.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -10.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9917  -12.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0000  -14.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0375  -14.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  8  2  0  0  0  0
  7  8  1  0  0  0  0
  8 17  1  0  0  0  0
  9  1  1  0  0  0  0
 10 15  1  0  0  0  0
 11  6  1  0  0  0  0
 12  7  2  0  0  0  0
 13  2  1  0  0  0  0
 14 12  1  0  0  0  0
 15 16  1  0  0  0  0
 16  9  2  0  0  0  0
 17 18  1  0  0  0  0
 18 13  1  0  0  0  0
 19 13  2  0  0  0  0
 20 10  1  0  0  0  0
 21 10  1  0  0  0  0
 22 10  1  0  0  0  0
 23 12  1  0  0  0  0
 24 11  1  0  0  0  0
 25  3  1  0  0  0  0
 26  4  1  0  0  0  0
 27  9  1  0  0  0  0
 28 29  1  0  0  0  0
 29 27  2  0  0  0  0
  5  2  1  0  0  0  0
 15 28  2  0  0  0  0
 14 11  2  0  0  0  0
M  END
>  <Mol_ID> (1,500)
1500

>  <Formula> (1,500)
C19H18F3N5OS

>  <MolWeight> (1,500)
421.4393296

>  <COMPOUND_NAME> (1,500)
WAY-351475

>  <BAR_CODE_NO> (1,500)
2561740

$$$$
WAY-351489
csChFnd80/06171916322D

 28 30  0  0  0  0  0  0  0  0999 V2000
   14.0542  -12.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4375  -11.1792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8167  -10.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9542   -9.0875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7375   -7.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.3375  -12.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4750  -13.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9292   -6.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6000  -10.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3917   -9.0917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3292   -4.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -13.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7667   -9.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5375   -8.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1625   -8.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9250   -7.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1292  -14.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1292   -6.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4125  -14.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1375   -4.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9042  -11.0917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5792  -15.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5500   -6.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5375   -3.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0750   -9.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3625   -6.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3542   -3.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7542   -5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  9  1  0  0  0  0
  5 16  1  0  0  0  0
  6  1  2  0  0  0  0
  7  1  1  0  0  0  0
  8 18  1  0  0  0  0
  9  3  1  0  0  0  0
 10  3  2  0  0  0  0
 11  8  2  0  0  0  0
 12  6  1  0  0  0  0
 13  4  1  0  0  0  0
 14  4  1  0  0  0  0
 15 13  1  0  0  0  0
 16 14  1  0  0  0  0
 17  7  2  0  0  0  0
 18  5  1  0  0  0  0
 19 17  1  0  0  0  0
 20 11  1  0  0  0  0
 21  6  1  0  0  0  0
 22 17  1  0  0  0  0
 23 20  2  0  0  0  0
 24 20  1  0  0  0  0
 25 21  1  0  0  0  0
 26 23  1  0  0  0  0
 27 24  2  0  0  0  0
 28 27  1  0  0  0  0
 12 19  2  0  0  0  0
 15  5  1  0  0  0  0
 28 26  2  0  0  0  0
M  END
>  <Mol_ID> (1,501)
1501

>  <Formula> (1,501)
C23H29N3O2

>  <MolWeight> (1,501)
379.49526

>  <COMPOUND_NAME> (1,501)
WAY-351489

>  <BAR_CODE_NO> (1,501)
2561797

$$$$
WAY-351539
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
    9.7917   -5.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9792   -4.2917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1667   -5.4292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8542   -6.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9792   -6.5292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.2292   -6.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6667   -4.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6667   -6.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9250   -7.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3000   -7.8417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1625   -7.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4750   -4.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2292   -9.0500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.9292   -5.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4750   -6.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2750   -6.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2750   -4.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4750   -2.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8417   -9.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3125   -5.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  6  1  0  0  0  0
 10  9  2  0  0  0  0
 11  4  2  0  0  0  0
 12  7  1  0  0  0  0
 13  9  1  0  0  0  0
 14  6  2  0  0  0  0
 15  8  1  0  0  0  0
 16 15  2  0  0  0  0
 17 21  2  0  0  0  0
 18 12  2  0  0  0  0
 19 12  1  0  0  0  0
 20 13  1  0  0  0  0
 21 14  1  0  0  0  0
  8  7  2  0  0  0  0
 16 18  1  0  0  0  0
 10 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,502)
1502

>  <Formula> (1,502)
C15H13N3OS2

>  <MolWeight> (1,502)
315.41322

>  <COMPOUND_NAME> (1,502)
WAY-351539

>  <BAR_CODE_NO> (1,502)
2561773

$$$$
WAY-351576
csChFnd80/06171916322D

 22 23  0  0  0  0  0  0  0  0999 V2000
    9.8167   -8.1375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1292   -6.7667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0292   -6.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3792   -8.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1750   -5.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8500   -4.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4042   -4.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667   -2.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7875   -5.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3875   -6.8292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7167   -5.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4875   -6.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6667   -6.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4542   -8.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1625   -9.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8375   -1.4750    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.0667    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   13.7042   -9.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0792   -5.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5375   -2.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417   -5.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2375   -4.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  7  5  1  0  0  0  0
  8  6  2  0  0  0  0
  9  3  2  0  0  0  0
 10  5  2  0  0  0  0
 11 12  1  0  0  0  0
 12  3  1  0  0  0  0
 13  2  1  0  0  0  0
 14 18  1  0  0  0  0
 15  4  1  0  0  0  0
 16  8  1  0  0  0  0
 17 14  1  0  0  0  0
 18 15  2  0  0  0  0
 19  6  1  0  0  0  0
 20  8  1  0  0  0  0
 21 19  2  0  0  0  0
 22 21  1  0  0  0  0
 13 14  2  0  0  0  0
 20 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,503)
1503

>  <Formula> (1,503)
C15H12ClFN2O3

>  <MolWeight> (1,503)
322.7187832

>  <COMPOUND_NAME> (1,503)
WAY-351576

>  <BAR_CODE_NO> (1,503)
2561812

$$$$
WAY-351603
csChFnd80/06171916322D

 26 27  0  0  0  0  0  0  0  0999 V2000
    6.3125   -5.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8000   -6.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8167   -7.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7167   -7.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4417   -5.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917   -4.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3417   -5.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8917   -4.9667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.3750   -8.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8542   -4.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5417   -5.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1792   -8.7417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9125   -6.8542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1792   -6.8542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2792   -7.6875    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.7000   -7.3000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8917   -6.2625    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000   -4.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0875   -6.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3292   -4.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7500   -4.9792    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   13.8292   -9.7042    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   14.3625   -6.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4625   -8.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4500   -6.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4 14  1  0  0  0  0
  5  8  1  0  0  0  0
  6  1  2  0  0  0  0
  7  1  1  0  0  0  0
  8 10  1  0  0  0  0
  9  3  1  0  0  0  0
 10  7  2  0  0  0  0
 11  5  1  0  0  0  0
 12  4  2  0  0  0  0
 13  5  2  0  0  0  0
 14 19  1  0  0  0  0
 15  2  1  0  0  0  0
 16  2  1  0  0  0  0
 17  2  1  0  0  0  0
 18  6  1  0  0  0  0
 19 11  1  0  0  0  0
 20 10  1  0  0  0  0
 21  6  1  0  0  0  0
 22  9  1  0  0  0  0
 23  3  2  0  0  0  0
 24  9  2  0  0  0  0
 25 23  1  0  0  0  0
 26 25  2  0  0  0  0
 20 18  2  0  0  0  0
 26 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,504)
1504

>  <Formula> (1,504)
C17H13Cl2F3N2O2

>  <MolWeight> (1,504)
405.1985296

>  <COMPOUND_NAME> (1,504)
WAY-351603

>  <BAR_CODE_NO> (1,504)
2561853

$$$$
WAY-351611
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
    5.7139    8.1325    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7139    7.3107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4232    6.9039    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4232    8.5476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1325    8.1325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1324    7.3097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9150    7.0553    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3987    7.7210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9151    8.3867    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4154    9.3694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.9039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4228    6.0821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0010    8.5413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1690    9.1683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9729    9.3391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2269   10.1207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6822    7.6593    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5040    7.6593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7598    8.4404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0931    8.9253    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.4306    8.4404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9863    6.9939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6489    8.6940    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6480    6.2452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1296    5.5802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9479    5.6648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2824    6.4201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7988    7.0820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4311    5.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   14.1023    6.4225    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  4  1  0  0  0  0
  2  3  1  0  0  0  0
  3  6  1  0  0  0  0
  5  4  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  4 10  2  0  0  0  0
  2 11  2  0  0  0  0
  3 12  1  0  0  0  0
  1 13  1  0  0  0  0
  9 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 17  2  0  0  0  0
 18 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 22  1  0  0  0  0
 26 29  1  0  0  0  0
 15 23  1  0  0  0  0
 27 30  1  0  0  0  0
M  END
>  <Mol_ID> (1,505)
1505

>  <Formula> (1,505)
C18H14Cl2N6O3S

>  <MolWeight> (1,505)
465.31316

>  <COMPOUND_NAME> (1,505)
WAY-351611

>  <BAR_CODE_NO> (1,505)
2561955

$$$$
WAY-351616
csChFnd80/06171916322D

 28 30  0  0  0  0  0  0  0  0999 V2000
   13.9375  -10.0917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.0417   -5.3167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2417   -8.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6667   -5.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6750   -2.9292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7250   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0042   -4.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6250  -11.2917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1042   -6.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7250   -6.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8750   -8.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1417   -9.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7375  -10.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0625   -2.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8000   -7.7042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.9250   -7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1792   -7.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0417   -6.3667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7917   -5.3167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2417   -6.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8625   -6.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0750   -4.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9375  -12.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -11.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7042   -1.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3167   -7.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7292   -2.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0667   -1.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 10  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5 14  1  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8  1  1  0  0  0  0
  9 15  1  0  0  0  0
 10  9  1  0  0  0  0
 11  3  2  0  0  0  0
 12  1  2  0  0  0  0
 13  1  2  0  0  0  0
 14  6  1  0  0  0  0
 15 17  1  0  0  0  0
 16  3  1  0  0  0  0
 17 11  1  0  0  0  0
 18  4  2  0  0  0  0
 19  9  2  0  0  0  0
 20 16  2  0  0  0  0
 21 20  1  0  0  0  0
 22  6  2  0  0  0  0
 23  8  1  0  0  0  0
 24  8  1  0  0  0  0
 25 14  2  0  0  0  0
 26 16  1  0  0  0  0
 27 22  1  0  0  0  0
 28 27  2  0  0  0  0
 17 21  2  0  0  0  0
  5  7  2  0  0  0  0
 25 28  1  0  0  0  0
M  END
>  <Mol_ID> (1,506)
1506

>  <Formula> (1,506)
C19H20N4O4S

>  <MolWeight> (1,506)
400.4515

>  <COMPOUND_NAME> (1,506)
WAY-351616

>  <BAR_CODE_NO> (1,506)
2561962

$$$$
WAY-351693
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    6.1167   -3.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1542   -1.6542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1542   -4.3292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5917   -2.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7667   -3.0125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5917   -3.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3875   -4.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2500   -6.0375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8875   -7.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6375   -4.5167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.1917   -9.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1625   -1.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2417   -3.0292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6375   -7.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5000  -10.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -9.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1625   -4.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9917   -6.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7292   -2.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7292   -3.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7750   -6.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7250   -1.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7 10  1  0  0  0  0
  8  7  1  0  0  0  0
  9 18  1  0  0  0  0
 10  5  1  0  0  0  0
 11  9  1  0  0  0  0
 12  4  1  0  0  0  0
 13  7  2  0  0  0  0
 14  9  2  0  0  0  0
 15 11  1  0  0  0  0
 16 14  1  0  0  0  0
 17  6  1  0  0  0  0
 18  8  1  0  0  0  0
 19 12  2  0  0  0  0
 20 17  2  0  0  0  0
 21 10  1  0  0  0  0
 22 19  1  0  0  0  0
  4  6  2  0  0  0  0
 19 20  1  0  0  0  0
 16 15  2  0  0  0  0
M  END
>  <Mol_ID> (1,507)
1507

>  <Formula> (1,507)
C16H17N3O2S

>  <MolWeight> (1,507)
315.39008

>  <COMPOUND_NAME> (1,507)
WAY-351693

>  <BAR_CODE_NO> (1,507)
2561989

$$$$
WAY-351711
csChFnd80/06171916322D

 24 27  0  0  0  0  0  0  0  0999 V2000
   11.3417  -11.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0125  -12.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0000  -10.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0792  -12.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0750  -11.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2167  -11.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2542   -8.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6542  -10.6542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8167   -7.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1500   -8.4542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0625  -12.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0542   -6.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0375   -7.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6625  -12.5917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8167   -9.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0417  -10.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9500   -7.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0250  -12.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9500   -9.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5250  -10.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6750  -13.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0167  -11.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5125   -8.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -12.7000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7 15  2  0  0  0  0
  8  6  1  0  0  0  0
  9 17  2  0  0  0  0
 10  7  1  0  0  0  0
 11  4  2  0  0  0  0
 12  9  1  0  0  0  0
 13 10  1  0  0  0  0
 14  6  2  0  0  0  0
 15 19  1  0  0  0  0
 16  5  2  0  0  0  0
 17 23  1  0  0  0  0
 18 11  1  0  0  0  0
 19 20  1  0  0  0  0
 20  8  1  0  0  0  0
 21  2  1  0  0  0  0
 22 16  1  0  0  0  0
 23 19  2  0  0  0  0
 24 18  1  0  0  0  0
  4  5  1  0  0  0  0
 18 22  2  0  0  0  0
  9  7  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <Mol_ID> (1,508)
1508

>  <Formula> (1,508)
C18H14BrNO4

>  <MolWeight> (1,508)
388.21206

>  <COMPOUND_NAME> (1,508)
WAY-351711

>  <BAR_CODE_NO> (1,508)
2561936

$$$$
WAY-351766
csChFnd80/06171916322D

 34 37  0  0  0  0  0  0  0  0999 V2000
   10.6667   -4.5292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5167   -4.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1375   -3.4667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9917   -3.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0500   -2.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9167   -7.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2417   -4.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7250   -5.3875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8625   -5.4917    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.5167   -5.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2167   -6.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3625   -5.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0542   -6.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4667   -8.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1125   -4.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7417   -7.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1625   -9.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9042   -3.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9500   -4.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2917   -8.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6292   -3.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4542   -5.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3250   -5.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000   -3.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8417   -4.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0292   -2.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1375   -1.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3417   -8.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5167   -5.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6917   -6.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -9.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6917   -3.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1125   -1.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1667   -1.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  2  1  0  0  0  0
 10 12  1  0  0  0  0
 11 10  1  0  0  0  0
 12  1  1  0  0  0  0
 13  6  2  0  0  0  0
 14  6  1  0  0  0  0
 15  7  1  0  0  0  0
 16 13  1  0  0  0  0
 17 14  2  0  0  0  0
 18  7  2  0  0  0  0
 19 10  2  0  0  0  0
 20 17  1  0  0  0  0
 21 15  2  0  0  0  0
 22 15  1  0  0  0  0
 23 22  2  0  0  0  0
 24 21  1  0  0  0  0
 25 23  1  0  0  0  0
 26  4  2  0  0  0  0
 27  5  2  0  0  0  0
 28 14  1  0  0  0  0
 29 13  1  0  0  0  0
 30  9  1  0  0  0  0
 31 20  1  0  0  0  0
 32 25  1  0  0  0  0
 33 26  1  0  0  0  0
 34 33  2  0  0  0  0
  5  3  1  0  0  0  0
 27 34  1  0  0  0  0
 16 20  2  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (1,509)
1509

>  <Formula> (1,509)
C28H30N4O2

>  <MolWeight> (1,509)
454.5634

>  <COMPOUND_NAME> (1,509)
WAY-351766

>  <BAR_CODE_NO> (1,509)
2562077

$$$$
WAY-351847
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    3.1542   -1.4042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9792   -1.4042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4625   -2.0667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2042   -2.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4042   -3.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1500   -3.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6375   -4.4792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3292   -1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3667   -4.0667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5667   -0.6917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5667   -2.1167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7625   -3.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1542   -5.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3667   -4.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9167   -0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9167   -2.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4542   -0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2417   -1.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0917   -0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0917   -2.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6875   -1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2417   -0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1375   -1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  1  1  0  0  0  0
  9  6  1  0  0  0  0
 10  1  2  0  0  0  0
 11  1  2  0  0  0  0
 12  4  2  0  0  0  0
 13  7  1  0  0  0  0
 14  9  1  0  0  0  0
 15  8  2  0  0  0  0
 16  8  1  0  0  0  0
 17  2  1  0  0  0  0
 18  3  1  0  0  0  0
 19 15  1  0  0  0  0
 20 16  2  0  0  0  0
 21 20  1  0  0  0  0
 22 17  1  0  0  0  0
 23 21  1  0  0  0  0
 22 18  1  0  0  0  0
 21 19  2  0  0  0  0
 13 14  2  0  0  0  0
M  END
>  <Mol_ID> (1,510)
1510

>  <Formula> (1,510)
C15H17N3O3S2

>  <MolWeight> (1,510)
351.44378

>  <COMPOUND_NAME> (1,510)
WAY-351847

>  <BAR_CODE_NO> (1,510)
2562135

$$$$
WAY-351873
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
    9.0292   -4.7167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4667   -3.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6542   -6.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5292   -7.7417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3375   -1.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0667  -10.7167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7917  -10.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7292   -3.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9000   -1.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4042   -9.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7667   -0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5250  -10.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4792   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3125   -4.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8875   -6.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5167   -4.7167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0625   -1.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9042   -3.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9250    1.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917   -1.7375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3792  -12.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1417   -9.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917    1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1167  -12.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -10.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 14  1  0  0  0  0
  3 15  1  0  0  0  0
  4  3  1  0  0  0  0
  5 17  1  0  0  0  0
  6  7  3  0  0  0  0
  7 12  1  0  0  0  0
  8  2  1  0  0  0  0
  9  8  2  0  0  0  0
 10  4  1  0  0  0  0
 11 13  2  0  0  0  0
 12 10  2  0  0  0  0
 13  5  1  0  0  0  0
 14  1  1  0  0  0  0
 15  1  1  0  0  0  0
 16  3  2  0  0  0  0
 17 18  1  0  0  0  0
 18  1  1  0  0  0  0
 19 11  1  0  0  0  0
 20  9  1  0  0  0  0
 21 12  1  0  0  0  0
 22 10  1  0  0  0  0
 23 20  1  0  0  0  0
 24 19  1  0  0  0  0
 25 26  1  0  0  0  0
 26 22  2  0  0  0  0
  5  2  2  0  0  0  0
 11  9  1  0  0  0  0
 25 21  2  0  0  0  0
M  END
>  <Mol_ID> (1,511)
1511

>  <Formula> (1,511)
C20H21N3O3

>  <MolWeight> (1,511)
351.39904

>  <COMPOUND_NAME> (1,511)
WAY-351873

>  <BAR_CODE_NO> (1,511)
2562104

$$$$
WAY-351925
csChFnd80/06171916322D

 10 10  0  0  0  0  0  0  0  0999 V2000
    6.5250   -7.1542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8500   -6.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1875   -6.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1125   -5.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9375   -5.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9750   -6.9375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.0667   -6.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4500   -6.3875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6667   -6.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6250   -5.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  3  2  0  0  0  0
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  8  1  0  0  0  0
  5  4  1  0  0  0  0
M  END
>  <Mol_ID> (1,512)
1512

>  <Formula> (1,512)
C5H9N3OS

>  <MolWeight> (1,512)
159.20946

>  <COMPOUND_NAME> (1,512)
WAY-351925

>  <BAR_CODE_NO> (1,512)
2562368

$$$$
WAY-351964
csChFnd80/06171916322D

 33 36  0  0  0  0  0  0  0  0999 V2000
    7.0375   -4.3167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.0792   -7.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6417   -8.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9542   -7.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6417   -6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4750   -3.3667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6042   -5.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7625   -8.1750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0250   -2.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3917   -6.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.7542   -6.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3167   -7.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7250   -5.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0750   -4.9042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0125   -3.7542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2792   -6.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0792   -9.1542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0542   -6.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3917   -8.1917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4625   -1.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6125   -7.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7292   -7.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3500   -1.4625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1292   -2.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3167   -5.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4292   -7.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9417   -6.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7792   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6792   -1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4292   -5.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1125   -0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  2  1  0  0  0  0
  4 10  1  0  0  0  0
  5  2  2  0  0  0  0
  6  1  1  0  0  0  0
  7  1  1  0  0  0  0
  8  3  1  0  0  0  0
  9  6  1  0  0  0  0
 10 16  1  0  0  0  0
 11  5  1  0  0  0  0
 12 11  2  0  0  0  0
 13  7  1  0  0  0  0
 14  1  2  0  0  0  0
 15  1  2  0  0  0  0
 16 13  2  0  0  0  0
 17  3  2  0  0  0  0
 18  7  2  0  0  0  0
 19  4  2  0  0  0  0
 20  9  2  0  0  0  0
 21 18  1  0  0  0  0
 22 21  2  0  0  0  0
 23 20  1  0  0  0  0
 24  9  1  0  0  0  0
 25 11  1  0  0  0  0
 26 12  1  0  0  0  0
 27 18  1  0  0  0  0
 28 20  1  0  0  0  0
 29 23  1  0  0  0  0
 30 24  2  0  0  0  0
 31 25  2  0  0  0  0
 32 31  1  0  0  0  0
 33 30  1  0  0  0  0
 16 22  1  0  0  0  0
 33 28  2  0  0  0  0
 12  8  1  0  0  0  0
 26 32  2  0  0  0  0
M  END
>  <Mol_ID> (1,513)
1513

>  <Formula> (1,513)
C24H20N2O6S

>  <MolWeight> (1,513)
464.4904

>  <COMPOUND_NAME> (1,513)
WAY-351964

>  <BAR_CODE_NO> (1,513)
2562208

$$$$
WAY-351998
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
    8.1125   -6.1292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5250   -6.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5375   -3.3667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8917   -4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4792   -7.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7625   -4.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2375   -8.9375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8500   -8.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8917   -7.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6000  -10.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1292   -3.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7667  -11.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8042   -7.3292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3125   -6.1917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4500   -4.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6667   -7.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1792  -10.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9375  -13.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4000  -10.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1292  -12.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8750   -2.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2042   -3.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2417   -7.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -9.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4417   -2.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3 11  1  0  0  0  0
  4  1  1  0  0  0  0
  5  9  1  0  0  0  0
  6  2  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
  9  1  1  0  0  0  0
 10  8  2  0  0  0  0
 11  4  1  0  0  0  0
 12 10  1  0  0  0  0
 13  2  2  0  0  0  0
 14  5  2  0  0  0  0
 15  4  2  0  0  0  0
 16  8  1  0  0  0  0
 17 10  1  0  0  0  0
 18 12  1  0  0  0  0
 19 12  1  0  0  0  0
 20 12  1  0  0  0  0
 21 11  2  0  0  0  0
 22 15  1  0  0  0  0
 23 16  2  0  0  0  0
 24 23  1  0  0  0  0
 25 22  2  0  0  0  0
  3  6  2  0  0  0  0
 21 25  1  0  0  0  0
 24 17  2  0  0  0  0
M  END
>  <Mol_ID> (1,514)
1514

>  <Formula> (1,514)
C20H21N3O2

>  <MolWeight> (1,514)
335.39964

>  <COMPOUND_NAME> (1,514)
WAY-351998

>  <BAR_CODE_NO> (1,514)
2562283

$$$$
WAY-352023
csChFnd80/06171916322D

 24 27  0  0  0  0  0  0  0  0999 V2000
    9.3917   -8.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7417   -7.6542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4875   -8.5542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7417   -9.4292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.0292   -9.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1417   -9.5000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.7042  -10.4417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6917   -9.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6917   -7.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7792   -8.5250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8042  -10.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7417   -9.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6792   -8.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3375   -9.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4875  -10.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7417   -7.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917   -9.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917   -7.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8292   -9.6542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3625  -11.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4292   -9.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8667   -9.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4625  -11.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -10.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  4  1  0  0  0  0
  9  2  1  0  0  0  0
 10 13  1  0  0  0  0
 11  7  1  0  0  0  0
 12  8  2  0  0  0  0
 13  6  1  0  0  0  0
 14 10  1  0  0  0  0
 15  5  2  0  0  0  0
 16  9  2  0  0  0  0
 17 12  1  0  0  0  0
 18 16  1  0  0  0  0
 19 17  1  0  0  0  0
 20 11  2  0  0  0  0
 21 14  2  0  0  0  0
 22 19  1  0  0  0  0
 23 20  1  0  0  0  0
 24 21  1  0  0  0  0
  9  8  1  0  0  0  0
 18 17  2  0  0  0  0
 11 14  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (1,515)
1515

>  <Formula> (1,515)
C17H14N2O4S

>  <MolWeight> (1,515)
342.36906

>  <COMPOUND_NAME> (1,515)
WAY-352023

>  <BAR_CODE_NO> (1,515)
2562303

$$$$
WAY-352066
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    9.4792   -5.3750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8792   -4.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2375   -5.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8667   -3.4167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8417   -4.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2042   -6.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4625   -7.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0917   -3.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5042   -6.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4750   -6.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9750   -6.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2125   -7.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2417   -5.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2042   -8.1917    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.9875   -5.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7250   -2.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8167   -4.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2417   -5.8792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6542   -4.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5625   -2.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5292   -3.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7 12  2  0  0  0  0
  8  2  2  0  0  0  0
  9  3  2  0  0  0  0
 10  6  1  0  0  0  0
 11 13  2  0  0  0  0
 12 10  1  0  0  0  0
 13 15  1  0  0  0  0
 14  7  1  0  0  0  0
 15 10  2  0  0  0  0
 16  5  1  0  0  0  0
 17  5  1  0  0  0  0
 18 11  1  0  0  0  0
 19 18  1  0  0  0  0
 20 17  1  0  0  0  0
 21 16  1  0  0  0  0
 22 20  1  0  0  0  0
  4  5  1  0  0  0  0
  7 11  1  0  0  0  0
 22 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,516)
1516

>  <Formula> (1,516)
C16H19FN2O3

>  <MolWeight> (1,516)
306.3320632

>  <COMPOUND_NAME> (1,516)
WAY-352066

>  <BAR_CODE_NO> (1,516)
2562332

$$$$
WAY-352081
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   11.3542  -10.1042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6042   -8.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4417   -7.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7667   -8.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4792   -2.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9917   -2.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292  -10.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4250   -4.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6750   -3.4542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1792   -3.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042   -3.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7125   -6.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9125   -4.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4042   -4.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542   -0.7167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7167   -3.2750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8000   -6.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7875   -4.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4375   -6.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3167   -8.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6292  -11.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0125   -1.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -10.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1625  -11.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  7  2  0  0  0  0
  5 10  2  0  0  0  0
  6  5  1  0  0  0  0
  7  1  1  0  0  0  0
  8 18  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 13  1  0  0  0  0
 12  8  2  0  0  0  0
 13 14  2  0  0  0  0
 14 10  1  0  0  0  0
 15  6  1  0  0  0  0
 16 11  1  0  0  0  0
 17  3  1  0  0  0  0
 18 19  1  0  0  0  0
 19 17  1  0  0  0  0
 20  4  1  0  0  0  0
 21  7  1  0  0  0  0
 22 15  1  0  0  0  0
 23 16  1  0  0  0  0
 24 25  1  0  0  0  0
 25 21  2  0  0  0  0
  3  4  1  0  0  0  0
 20 24  2  0  0  0  0
  6 11  2  0  0  0  0
M  END
>  <Mol_ID> (1,517)
1517

>  <Formula> (1,517)
C20H22N2O3

>  <MolWeight> (1,517)
338.40028

>  <COMPOUND_NAME> (1,517)
WAY-352081

>  <BAR_CODE_NO> (1,517)
2562347

$$$$
WAY-352139
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
    6.9125   -5.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1417   -5.2292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9000   -6.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4125   -3.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9125   -6.9167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9542   -4.7667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1292   -7.3167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4542   -3.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2250   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1875   -6.2667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.8292   -7.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6417   -3.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1167   -7.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6917   -7.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7667   -8.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7625   -6.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0542   -8.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0417   -6.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500   -2.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  1  0  0  0  0
  7  5  1  0  0  0  0
  8  9  1  0  0  0  0
  9  6  2  0  0  0  0
 10  3  1  0  0  0  0
 11 10  1  0  0  0  0
 12  4  1  0  0  0  0
 13 11  1  0  0  0  0
 14 18  2  0  0  0  0
 15 13  1  0  0  0  0
 16 13  2  0  0  0  0
 17 15  2  0  0  0  0
 18 16  1  0  0  0  0
 19  9  1  0  0  0  0
 20 14  1  0  0  0  0
  7  3  2  0  0  0  0
  8  4  2  0  0  0  0
 14 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,518)
1518

>  <Formula> (1,518)
C15H16N4S

>  <MolWeight> (1,518)
284.37934

>  <COMPOUND_NAME> (1,518)
WAY-352139

>  <BAR_CODE_NO> (1,518)
2562430

$$$$
WAY-352156
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
    5.9792   -3.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.2375   -4.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0917   -4.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5417   -4.9292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.0000   -3.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8417   -3.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5875   -2.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8000   -5.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9500   -5.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1167   -3.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5292   -3.8792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8375   -3.7792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7292   -2.8375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000   -2.6542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9542   -4.9417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5042   -5.8667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1375   -1.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -1.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0042   -1.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6625   -4.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7042   -2.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3792   -3.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7917   -4.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8417   -2.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2042   -6.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5167   -6.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2542   -4.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2875   -2.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7750   -7.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9250   -7.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3 11  1  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  6  2  2  0  0  0  0
  7  5  1  0  0  0  0
  8  2  1  0  0  0  0
  9  8  1  0  0  0  0
 10  1  1  0  0  0  0
 11 22  1  0  0  0  0
 12  1  1  0  0  0  0
 13  7  1  0  0  0  0
 14  1  2  0  0  0  0
 15  1  2  0  0  0  0
 16  3  2  0  0  0  0
 17  7  2  0  0  0  0
 18 13  1  0  0  0  0
 19 17  1  0  0  0  0
 20 10  2  0  0  0  0
 21 10  1  0  0  0  0
 22 24  1  0  0  0  0
 23 20  1  0  0  0  0
 24 21  2  0  0  0  0
 25  8  2  0  0  0  0
 26  9  2  0  0  0  0
 27 12  1  0  0  0  0
 28 12  1  0  0  0  0
 29 25  1  0  0  0  0
 30 29  2  0  0  0  0
 22 23  2  0  0  0  0
  5  4  2  0  0  0  0
 30 26  1  0  0  0  0
 19 18  2  0  0  0  0
M  END
>  <Mol_ID> (1,519)
1519

>  <Formula> (1,519)
C22H19N3O3S2

>  <MolWeight> (1,519)
437.53456

>  <COMPOUND_NAME> (1,519)
WAY-352156

>  <BAR_CODE_NO> (1,519)
2562441

$$$$
WAY-352200
csChFnd80/06171916322D

 21 22  0  0  0  0  0  0  0  0999 V2000
    9.0250   -5.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9292   -6.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1167   -4.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7875   -3.1125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.3542  -12.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5375   -7.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.0625  -12.1917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.6292   -6.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7417   -5.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5917   -5.4792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8167   -4.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1500   -8.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4042  -11.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9875  -13.3042    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -11.0792    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.0875   -3.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7042   -4.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4292   -8.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5000   -9.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1167  -11.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0542   -9.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4 16  1  0  0  0  0
  5  7  1  0  0  0  0
  6  2  1  0  0  0  0
  7 13  1  0  0  0  0
  8  1  1  0  0  0  0
  9  1  1  0  0  0  0
 10  2  2  0  0  0  0
 11  3  2  0  0  0  0
 12  6  1  0  0  0  0
 13 20  2  0  0  0  0
 14  5  1  0  0  0  0
 15  5  1  0  0  0  0
 16 17  1  0  0  0  0
 17  1  1  0  0  0  0
 18 12  1  0  0  0  0
 19 12  2  0  0  0  0
 20 19  1  0  0  0  0
 21 18  2  0  0  0  0
  4  3  1  0  0  0  0
 21 13  1  0  0  0  0
M  END
>  <Mol_ID> (1,520)
1520

>  <Formula> (1,520)
C13H15F2N3O2S

>  <MolWeight> (1,520)
315.3389064

>  <COMPOUND_NAME> (1,520)
WAY-352200

>  <BAR_CODE_NO> (1,520)
2562480

$$$$
WAY-352218
csChFnd80/06171916322D

 34 37  0  0  0  0  0  0  0  0999 V2000
    5.4167   -2.7292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4167   -3.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7042   -3.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7042   -2.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9917   -3.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9917   -2.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1375   -2.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8000   -6.5917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7042   -4.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4167   -6.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8417   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1292   -7.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1292   -6.4500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.7125   -8.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8500   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1375   -1.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4167   -5.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9542   -7.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1417   -3.9792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8792   -8.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7042   -1.4917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4667   -8.7667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8292    0.5708    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.6667   -0.2417    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.0167   -0.2625    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.4667   -7.3417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8542   -2.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2792   -3.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2792   -2.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5667   -1.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5667   -2.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8792   -6.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5625   -2.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5625   -3.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  6  1  0  0  0  0
  6  4  1  0  0  0  0
  7  1  1  0  0  0  0
  8 10  2  0  0  0  0
  9  3  2  0  0  0  0
 10 17  1  0  0  0  0
 11 15  1  0  0  0  0
 12  8  1  0  0  0  0
 13 10  1  0  0  0  0
 14 12  1  0  0  0  0
 15 16  2  0  0  0  0
 16  7  1  0  0  0  0
 17  9  1  0  0  0  0
 18 13  1  0  0  0  0
 19  2  2  0  0  0  0
 20 14  1  0  0  0  0
 21  4  2  0  0  0  0
 22 20  2  0  0  0  0
 23 11  1  0  0  0  0
 24 11  1  0  0  0  0
 25 11  1  0  0  0  0
 26 20  1  0  0  0  0
 27  7  2  0  0  0  0
 28  5  2  0  0  0  0
 29  6  2  0  0  0  0
 30 31  2  0  0  0  0
 31 27  1  0  0  0  0
 32 26  1  0  0  0  0
 33 29  1  0  0  0  0
 34 33  2  0  0  0  0
  5  3  1  0  0  0  0
 30 15  1  0  0  0  0
 34 28  1  0  0  0  0
 12 18  2  0  0  0  0
M  END
>  <Mol_ID> (1,521)
1521

>  <Formula> (1,521)
C23H16F3N3O4S

>  <MolWeight> (1,521)
487.4510496

>  <COMPOUND_NAME> (1,521)
WAY-352218

>  <BAR_CODE_NO> (1,521)
2562566

$$$$
WAY-352424
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    7.2167   -5.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6000   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8125   -4.0167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.0417   -4.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9500   -3.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2667   -6.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5042   -6.5292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5625   -7.7375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1792   -7.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6375   -7.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2667   -8.9542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6542   -6.5875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9042  -10.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2417  -11.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2917   -6.7042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3250   -7.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9167  -12.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3750   -3.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9792   -1.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2375  -13.6792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -11.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3167  -10.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2750  -12.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4667  -13.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  9  1  0  0  0  0
  9  7  2  0  0  0  0
 10 16  1  0  0  0  0
 11 10  1  0  0  0  0
 12  6  1  0  0  0  0
 13 11  1  0  0  0  0
 14 13  1  0  0  0  0
 15 10  2  0  0  0  0
 16 12  1  0  0  0  0
 17 14  2  0  0  0  0
 18  4  1  0  0  0  0
 19  5  1  0  0  0  0
 20 17  1  0  0  0  0
 21 22  1  0  0  0  0
 22 13  2  0  0  0  0
 23 21  2  0  0  0  0
 24 20  1  0  0  0  0
  5  4  2  0  0  0  0
  6  8  2  0  0  0  0
 17 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,522)
1522

>  <Formula> (1,522)
C17H17N3O3S

>  <MolWeight> (1,522)
343.40018

>  <COMPOUND_NAME> (1,522)
WAY-352424

>  <BAR_CODE_NO> (1,522)
2562746

$$$$
WAY-352446
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    0.1828   -1.8242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1828   -2.7898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6552   -1.3415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0172   -1.3415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6552   -3.2725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6552   -0.3760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0172   -0.3760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4897   -2.7898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6552   -4.2346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1828    0.1033    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3241   -3.2725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4897   -4.7173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1828    1.0689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3241   -4.2346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0172    1.5516    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6552    1.5516    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0172    2.5171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8517    2.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1828    2.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8517    3.9620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1828    3.9620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0172    4.4447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0172    5.4102    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 22 23  1  0  0  0  0
  7 10  1  0  0  0  0
 12 14  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,523)
1523

>  <Formula> (1,523)
C19H21ClN2O

>  <MolWeight> (1,523)
328.83584

>  <COMPOUND_NAME> (1,523)
WAY-352446

>  <BAR_CODE_NO> (1,523)
2562768

$$$$
WAY-352515
csChFnd80/06171916322D

 29 31  0  0  0  0  0  0  0  0999 V2000
    6.2417   -0.6167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.0167   -1.3750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000   -1.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8292   -5.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3500   -4.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4792    0.1333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4917    0.6083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4167   -1.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1667   -4.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6042   -3.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.2167   -5.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1625   -6.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1667   -3.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7542   -0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6792   -5.4417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -3.7542    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.8000   -6.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.0542   -2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3125   -3.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0542   -4.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2875   -7.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9000   -7.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9500   -6.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4875   -4.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7167    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5375   -1.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4625    1.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792   -0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2417    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6  1  2  0  0  0  0
  7  1  2  0  0  0  0
  8  3  2  0  0  0  0
  9  5  1  0  0  0  0
 10 13  1  0  0  0  0
 11  4  2  0  0  0  0
 12  4  1  0  0  0  0
 13  8  1  0  0  0  0
 14  2  1  0  0  0  0
 15  5  2  0  0  0  0
 16 11  1  0  0  0  0
 17 12  1  0  0  0  0
 18  2  1  0  0  0  0
 19  3  1  0  0  0  0
 20 19  2  0  0  0  0
 21 22  1  0  0  0  0
 22 12  2  0  0  0  0
 23 11  1  0  0  0  0
 24 20  1  0  0  0  0
 25 14  2  0  0  0  0
 26 14  1  0  0  0  0
 27 25  1  0  0  0  0
 28 26  2  0  0  0  0
 29 28  1  0  0  0  0
 24 13  2  0  0  0  0
 27 29  2  0  0  0  0
 23 21  2  0  0  0  0
M  END
>  <Mol_ID> (1,524)
1524

>  <Formula> (1,524)
C21H18ClFN2O3S

>  <MolWeight> (1,524)
432.8956232

>  <COMPOUND_NAME> (1,524)
WAY-352515

>  <BAR_CODE_NO> (1,524)
2562779

$$$$
WAY-352554
csChFnd80/06171916322D

 29 31  0  0  0  0  0  0  0  0999 V2000
    8.1125   -5.6125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.1167   -9.3167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.8375   -6.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8542  -10.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3917   -4.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1542  -11.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4125   -8.0875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2667   -6.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8625   -6.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3542   -4.8792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8792  -10.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3375   -8.5792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1250   -8.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9792   -8.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8625  -13.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9417  -12.5167    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.8375   -9.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2792  -10.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2667   -9.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1417  -14.2625    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.7000   -8.0875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0917   -3.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9542   -4.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -11.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2917  -13.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9792   -9.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2417   -3.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3750   -1.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9500   -1.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  2  0  0  0  0
  7 14  1  0  0  0  0
  8  3  1  0  0  0  0
  9  1  2  0  0  0  0
 10  1  2  0  0  0  0
 11  2  2  0  0  0  0
 12  2  2  0  0  0  0
 13  3  2  0  0  0  0
 14  8  2  0  0  0  0
 15  6  1  0  0  0  0
 16  6  1  0  0  0  0
 17 13  1  0  0  0  0
 18  4  1  0  0  0  0
 19 17  2  0  0  0  0
 20 15  1  0  0  0  0
 21 13  1  0  0  0  0
 22  5  1  0  0  0  0
 23  5  1  0  0  0  0
 24 18  2  0  0  0  0
 25 24  1  0  0  0  0
 26 21  1  0  0  0  0
 27 23  1  0  0  0  0
 28 22  1  0  0  0  0
 29 27  1  0  0  0  0
 28 29  1  0  0  0  0
 19 14  1  0  0  0  0
 25 15  2  0  0  0  0
M  END
>  <Mol_ID> (1,525)
1525

>  <Formula> (1,525)
C18H20Cl2N2O5S2

>  <MolWeight> (1,525)
479.3978

>  <COMPOUND_NAME> (1,525)
WAY-352554

>  <BAR_CODE_NO> (1,525)
2562867

$$$$
WAY-352563
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    3.4702    3.7631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0753    3.7934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1884    4.9614    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4005    5.0238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1263    6.2145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5231    6.1843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1374    2.5440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5417    2.5119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.0559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4135    1.3438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2164    1.2852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6170    1.2531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4294    1.2002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2993    0.0321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3503    2.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7036    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7490    2.4306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4516    7.4374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2451    7.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8432    1.1775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1793    8.6395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5779    8.6055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  6  1  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9  4  2  0  0  0  0
 10  7  2  0  0  0  0
 11  8  1  0  0  0  0
 12 11  1  0  0  0  0
 13 17  2  0  0  0  0
 14 12  1  0  0  0  0
 15 12  2  0  0  0  0
 16 14  2  0  0  0  0
 17 15  1  0  0  0  0
 18  5  2  0  0  0  0
 19  6  2  0  0  0  0
 20 13  1  0  0  0  0
 21 22  2  0  0  0  0
 22 19  1  0  0  0  0
  5  4  1  0  0  0  0
 18 21  1  0  0  0  0
 13 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,526)
1526

>  <Formula> (1,526)
C18H14O4

>  <MolWeight> (1,526)
294.30136

>  <COMPOUND_NAME> (1,526)
WAY-352563

>  <BAR_CODE_NO> (1,526)
2562876

$$$$
WAY-352582
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    3.6500   -2.4417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4542   -2.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4167   -3.5917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5917   -3.8292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1167   -3.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1542   -2.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3875   -2.4917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1417   -2.2792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.6167   -2.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8750   -2.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2542   -3.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5292   -1.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9125   -2.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6625   -2.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4667   -1.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0417   -4.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7542   -3.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3292   -3.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8000   -1.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1292   -4.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7125   -1.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8250   -2.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9625   -1.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  9  1  0  0  0  0
  8  2  1  0  0  0  0
  9 13  1  0  0  0  0
 10  6  2  0  0  0  0
 11  6  1  0  0  0  0
 12  9  2  0  0  0  0
 13  8  1  0  0  0  0
 14 10  1  0  0  0  0
 15  1  1  0  0  0  0
 16 11  2  0  0  0  0
 17 16  1  0  0  0  0
 18  5  1  0  0  0  0
 19 10  1  0  0  0  0
 20 16  1  0  0  0  0
 21 15  1  0  0  0  0
 22 18  1  0  0  0  0
 23 21  1  0  0  0  0
  4  3  1  0  0  0  0
 23 22  1  0  0  0  0
 17 14  2  0  0  0  0
M  END
>  <Mol_ID> (1,527)
1527

>  <Formula> (1,527)
C17H22N4OS

>  <MolWeight> (1,527)
330.44778

>  <COMPOUND_NAME> (1,527)
WAY-352582

>  <BAR_CODE_NO> (1,527)
2562880

$$$$
WAY-352620
csChFnd80/06171916322D

 22 23  0  0  0  0  0  0  0  0999 V2000
   11.5125   -6.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9042   -3.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5542   -3.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875   -3.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1250   -2.6417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6875   -2.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8167   -2.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4250   -3.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8417   -7.6917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9125   -6.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1667   -5.2750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7292   -5.1667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8542   -5.2042    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.2042   -5.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9500   -1.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667   -2.7292    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.6042   -5.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7417   -7.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2917   -7.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1667   -5.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  8  1  0  0  0  0
  3  4  1  0  0  0  0
  4  6  2  0  0  0  0
  5  2  1  0  0  0  0
  6  5  1  0  0  0  0
  7 13  1  0  0  0  0
  8 15  1  0  0  0  0
  9  1  2  0  0  0  0
 10  1  1  0  0  0  0
 11  2  2  0  0  0  0
 12  1  1  0  0  0  0
 13 16  2  0  0  0  0
 14  3  1  0  0  0  0
 15 12  1  0  0  0  0
 16  6  1  0  0  0  0
 17  7  1  0  0  0  0
 18 10  1  0  0  0  0
 19 10  2  0  0  0  0
 20 19  1  0  0  0  0
 21 18  2  0  0  0  0
 22 20  2  0  0  0  0
 22 21  1  0  0  0  0
  7  3  2  0  0  0  0
M  END
>  <Mol_ID> (1,528)
1528

>  <Formula> (1,528)
C16H14ClFN2O2

>  <MolWeight> (1,528)
320.7459632

>  <COMPOUND_NAME> (1,528)
WAY-352620

>  <BAR_CODE_NO> (1,528)
2562920

$$$$
WAY-352632
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
    8.0042   -5.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6500   -5.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4417   -3.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6667   -6.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9542   -6.2292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9750   -7.4292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2542   -3.7625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.3542   -2.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6917   -3.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6167   -7.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8042   -9.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0417   -6.2667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.9500   -1.9167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.0875   -7.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7625   -8.6417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8917   -3.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3042   -1.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8917   -2.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7750   -6.2792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1292   -8.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7042   -7.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6125  -10.5167    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.4917  -11.0292    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -9.1542    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.9125   -8.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  2  0  0  0  0
  7  2  1  0  0  0  0
  8  3  2  0  0  0  0
  9  3  1  0  0  0  0
 10  6  1  0  0  0  0
 11 20  1  0  0  0  0
 12  4  1  0  0  0  0
 13  9  1  0  0  0  0
 14 21  1  0  0  0  0
 15 14  1  0  0  0  0
 16  9  2  0  0  0  0
 17 13  1  0  0  0  0
 18 16  1  0  0  0  0
 19 14  2  0  0  0  0
 20 15  1  0  0  0  0
 21 12  1  0  0  0  0
 22 11  1  0  0  0  0
 23 11  1  0  0  0  0
 24 11  1  0  0  0  0
 25 10  1  0  0  0  0
  8  7  1  0  0  0  0
  5 10  2  0  0  0  0
 18 17  2  0  0  0  0
M  END
>  <Mol_ID> (1,529)
1529

>  <Formula> (1,529)
C15H12F3N3OS3

>  <MolWeight> (1,529)
403.4654896

>  <COMPOUND_NAME> (1,529)
WAY-352632

>  <BAR_CODE_NO> (1,529)
2562932

$$$$
WAY-352700
csChFnd80/06171916322D

 29 31  0  0  0  0  0  0  0  0999 V2000
   -0.6036    0.4760    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7036   -0.4654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3657    1.0035    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2757    0.8553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0550   -1.0240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5864   -0.8447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1450    1.5553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9140    0.2346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8243    1.7760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0446    0.2863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0450   -1.9551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6968   -1.7965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0071    1.1449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0554    2.4863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9032    0.6553    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9136   -0.6654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9243   -2.3551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8071    1.6967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8347    3.0449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6653    0.0863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0140   -3.2965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6761    2.6449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5653    0.4449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5343   -0.8654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2554   -3.8344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3239   -0.1344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6860    1.3863    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2964   -1.4551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1964   -1.0861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  3  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  2  0  0  0  0
  7 14  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  2  0  0  0  0
 11 17  1  0  0  0  0
 13 18  1  0  0  0  0
 14 19  2  0  0  0  0
 15 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  2  0  0  0  0
 20 23  1  0  0  0  0
 20 24  2  0  0  0  0
 21 25  1  0  0  0  0
 23 26  2  0  0  0  0
 23 27  1  0  0  0  0
 24 28  1  0  0  0  0
 26 29  1  0  0  0  0
 12 17  2  0  0  0  0
 19 22  1  0  0  0  0
 28 29  2  0  0  0  0
M  END
>  <Mol_ID> (1,530)
1530

>  <Formula> (1,530)
C21H19ClN2O4S

>  <MolWeight> (1,530)
430.90456

>  <COMPOUND_NAME> (1,530)
WAY-352700

>  <BAR_CODE_NO> (1,530)
2563008

$$$$
WAY-352714
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
    9.1375   -4.5792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4500   -6.4667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5917   -6.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8500   -5.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1792   -7.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0042   -4.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3125   -7.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3792   -4.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7167   -5.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1292   -5.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4292   -3.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9667   -5.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6417   -8.3792    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.8542   -6.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2625   -5.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9667   -2.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0542   -4.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8542   -6.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3042   -3.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0417   -4.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8292   -6.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7250   -2.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3875   -1.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9167   -5.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2667   -1.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  2  1  0  0  0  0
  4  9  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  5  2  0  0  0  0
  8  4  2  0  0  0  0
  9  1  1  0  0  0  0
 10  3  2  0  0  0  0
 11  6  1  0  0  0  0
 12  6  1  0  0  0  0
 13  5  1  0  0  0  0
 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
 16 11  1  0  0  0  0
 17 12  2  0  0  0  0
 18 12  1  0  0  0  0
 19 11  2  0  0  0  0
 20 14  1  0  0  0  0
 21 17  1  0  0  0  0
 22 18  2  0  0  0  0
 23 19  1  0  0  0  0
 24 16  2  0  0  0  0
 25 22  1  0  0  0  0
 26 23  2  0  0  0  0
 25 21  2  0  0  0  0
 24 26  1  0  0  0  0
  7 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,531)
1531

>  <Formula> (1,531)
C22H21FN2O

>  <MolWeight> (1,531)
348.4133432

>  <COMPOUND_NAME> (1,531)
WAY-352714

>  <BAR_CODE_NO> (1,531)
2563046

$$$$
WAY-352729
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    6.5500   -4.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8042   -4.2167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.9250   -2.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4917   -5.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1417   -5.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1167   -7.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2625   -7.3875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1792   -2.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5917   -7.4042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9750   -6.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3292   -5.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9500   -5.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042   -5.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7792   -1.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7750   -9.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3292   -4.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292   -9.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3250   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7917   -7.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917   -1.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -4.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9000    0.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1542    0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7 11  1  0  0  0  0
  8  3  2  0  0  0  0
  9  4  2  0  0  0  0
 10  5  1  0  0  0  0
 11  4  1  0  0  0  0
 12  2  1  0  0  0  0
 13 12  1  0  0  0  0
 14  3  1  0  0  0  0
 15 17  2  0  0  0  0
 16  5  1  0  0  0  0
 17  6  1  0  0  0  0
 18 13  1  0  0  0  0
 19 15  1  0  0  0  0
 20  8  1  0  0  0  0
 21 10  1  0  0  0  0
 22 14  2  0  0  0  0
 23 22  1  0  0  0  0
 18  8  1  0  0  0  0
 20 23  2  0  0  0  0
 19 10  2  0  0  0  0
M  END
>  <Mol_ID> (1,532)
1532

>  <Formula> (1,532)
C20H23NO2

>  <MolWeight> (1,532)
309.40212

>  <COMPOUND_NAME> (1,532)
WAY-352729

>  <BAR_CODE_NO> (1,532)
2563052

$$$$
WAY-352739
csChFnd80/06171916322D

 20 21  0  0  0  0  0  0  0  0999 V2000
    1.2188    7.4212    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.9945    1.2794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8899    6.2067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3169    2.5069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4420    8.1010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.7523    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3844    1.2535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5455    8.6487    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0663    0.0260    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2715    0.0779    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2863    6.1808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1690    5.0139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9163    2.5329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2451    3.7604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9660    4.9489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8423    3.7864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4627    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1161    2.4485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1944    1.1950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5146    2.4225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  1  0  0  0  0
  4 13  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  2  0  0  0  0
  7  2  1  0  0  0  0
  8  1  1  0  0  0  0
  9  7  1  0  0  0  0
 10  2  2  0  0  0  0
 11  3  1  0  0  0  0
 12  3  2  0  0  0  0
 13 14  1  0  0  0  0
 14 16  2  0  0  0  0
 15 11  2  0  0  0  0
 16 12  1  0  0  0  0
 17  9  2  0  0  0  0
 18  7  2  0  0  0  0
 19 20  2  0  0  0  0
 20 18  1  0  0  0  0
 15 14  1  0  0  0  0
 19 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,533)
1533

>  <Formula> (1,533)
C13H13N3O3S

>  <MolWeight> (1,533)
291.32562

>  <COMPOUND_NAME> (1,533)
WAY-352739

>  <BAR_CODE_NO> (1,533)
2563063

$$$$
WAY-352898
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
   12.2125   -2.6792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5417   -4.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8042   -0.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9875   -0.9042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.9792   -6.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7250    0.9625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2417    0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3125    2.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5292   -8.4292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.4792    2.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208    0.9458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9875   -0.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5667    0.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4250   -5.1750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7167   -2.7917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1167   -6.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4042   -9.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167   -0.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2667   -2.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042    4.6917    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.1583   -0.9292    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083   -2.7792    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.4917   -0.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2125    0.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2625    0.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7 19  2  0  0  0  0
  8 10  2  0  0  0  0
  9  5  1  0  0  0  0
 10 13  1  0  0  0  0
 11  7  1  0  0  0  0
 12 11  1  0  0  0  0
 13  6  1  0  0  0  0
 14  2  2  0  0  0  0
 15  3  2  0  0  0  0
 16  5  2  0  0  0  0
 17  9  1  0  0  0  0
 18 16  1  0  0  0  0
 19 24  1  0  0  0  0
 20  1  1  0  0  0  0
 21  8  1  0  0  0  0
 22 12  1  0  0  0  0
 23 12  1  0  0  0  0
 24 13  2  0  0  0  0
 25  4  1  0  0  0  0
 26 20  1  0  0  0  0
 26 25  1  0  0  0  0
 17 18  2  0  0  0  0
  8  7  1  0  0  0  0
M  END
>  <Mol_ID> (1,534)
1534

>  <Formula> (1,534)
C17H15ClF2N2O3S

>  <MolWeight> (1,534)
400.8274064

>  <COMPOUND_NAME> (1,534)
WAY-352898

>  <BAR_CODE_NO> (1,534)
2563234

$$$$
WAY-352900
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   12.4292   -7.3167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.8167   -6.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3917   -5.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6125   -7.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5792   -5.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1917   -6.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8250   -5.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6250   -6.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0125   -5.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3500   -8.0667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8417   -8.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2292   -4.2417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7792   -4.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1667   -4.1792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2250   -6.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5917   -4.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0417   -4.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3875   -6.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2167   -8.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8542   -4.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0417   -3.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3167   -5.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4042   -8.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2542   -5.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  6  1  0  0  0  0
  6  4  1  0  0  0  0
  7  9  1  0  0  0  0
  8  2  1  0  0  0  0
  9  8  2  0  0  0  0
 10  1  2  0  0  0  0
 11  1  2  0  0  0  0
 12  7  1  0  0  0  0
 13  3  1  0  0  0  0
 14  5  2  0  0  0  0
 15  7  2  0  0  0  0
 16  9  1  0  0  0  0
 17 12  1  0  0  0  0
 18  6  2  0  0  0  0
 19  4  2  0  0  0  0
 20 17  1  0  0  0  0
 21 17  1  0  0  0  0
 22 17  1  0  0  0  0
 23 24  2  0  0  0  0
 24 19  1  0  0  0  0
 25 20  1  0  0  0  0
  3  5  1  0  0  0  0
 18 23  1  0  0  0  0
 13 16  2  0  0  0  0
M  END
>  <Mol_ID> (1,535)
1535

>  <Formula> (1,535)
C19H19NO4S

>  <MolWeight> (1,535)
357.42346

>  <COMPOUND_NAME> (1,535)
WAY-352900

>  <BAR_CODE_NO> (1,535)
2563236

$$$$
WAY-352919
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    8.2625   -5.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8667   -5.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7125   -3.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9500   -6.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1417   -6.4292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2292   -7.6667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4542   -3.8792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.5917   -3.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0042   -3.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8292   -7.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3625   -6.4667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.2667   -1.9750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.4750   -7.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1667   -8.9250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2542   -4.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6667   -1.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2667   -3.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5792   -8.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1875   -6.4875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0542   -7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1000   -8.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5667  -10.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5917   -7.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  2  0  0  0  0
  7  2  1  0  0  0  0
  8  3  2  0  0  0  0
  9  3  1  0  0  0  0
 10  6  1  0  0  0  0
 11  4  1  0  0  0  0
 12  9  1  0  0  0  0
 13 20  1  0  0  0  0
 14 13  1  0  0  0  0
 15  9  2  0  0  0  0
 16 12  1  0  0  0  0
 17 15  1  0  0  0  0
 18 14  1  0  0  0  0
 19 13  2  0  0  0  0
 20 11  1  0  0  0  0
 21 10  1  0  0  0  0
 22 18  1  0  0  0  0
 23 18  1  0  0  0  0
 24 18  1  0  0  0  0
  7  8  1  0  0  0  0
 10  5  2  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (1,536)
1536

>  <Formula> (1,536)
C17H19N3OS3

>  <MolWeight> (1,536)
377.54726

>  <COMPOUND_NAME> (1,536)
WAY-352919

>  <BAR_CODE_NO> (1,536)
2563240

$$$$
WAY-353352
csChFnd80/06171916322D

 19 20  0  0  0  0  0  0  0  0999 V2000
    8.3167   -3.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5500   -2.5250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5917   -3.5292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5792   -4.5792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.4417   -5.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1667   -5.6917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.2417   -4.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3292   -2.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3750   -4.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0667   -4.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1000   -6.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6042   -5.7292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5167   -4.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4792   -7.9000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   13.4250   -3.4625    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -5.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3417   -4.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3750   -6.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3417   -4.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  6  1  0  0  0  0
  6 13  1  0  0  0  0
  7  3  1  0  0  0  0
  8  2  1  0  0  0  0
  9  4  1  0  0  0  0
 10  5  2  0  0  0  0
 11  5  1  0  0  0  0
 12  7  2  0  0  0  0
 13  7  1  0  0  0  0
 14 11  1  0  0  0  0
 15 10  1  0  0  0  0
 16 18  1  0  0  0  0
 17  9  1  0  0  0  0
 18 11  2  0  0  0  0
 19 10  1  0  0  0  0
  9  8  2  0  0  0  0
 16 19  2  0  0  0  0
M  END
>  <Mol_ID> (1,537)
1537

>  <Formula> (1,537)
C12H10Cl2N2OS2

>  <MolWeight> (1,537)
333.2566

>  <COMPOUND_NAME> (1,537)
WAY-353352

>  <BAR_CODE_NO> (1,537)
2563710

$$$$
WAY-353370
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
    9.0750   -5.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1375   -7.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9250   -9.2125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8292   -8.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2917   -5.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9500    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0917   -1.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625    2.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8542   -3.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3792   -1.7292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9917  -11.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9250    4.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5417   -3.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667   -3.7375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9542   -1.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8875   -8.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3792    2.2125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9625   -8.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3250    0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3625    4.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0667  -12.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0167  -12.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4958    2.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0875  -14.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1375  -14.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1250  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7 10  1  0  0  0  0
  8  6  2  0  0  0  0
  9  1  1  0  0  0  0
 10 13  1  0  0  0  0
 11  3  1  0  0  0  0
 12  8  1  0  0  0  0
 13  9  1  0  0  0  0
 14  7  2  0  0  0  0
 15  9  2  0  0  0  0
 16  2  1  0  0  0  0
 17  8  1  0  0  0  0
 18  4  1  0  0  0  0
 19  6  1  0  0  0  0
 20 23  1  0  0  0  0
 21 11  2  0  0  0  0
 22 11  1  0  0  0  0
 23 19  2  0  0  0  0
 24 22  2  0  0  0  0
 25 21  1  0  0  0  0
 26 24  1  0  0  0  0
  3  4  1  0  0  0  0
 26 25  2  0  0  0  0
 20 12  2  0  0  0  0
M  END
>  <Mol_ID> (1,538)
1538

>  <Formula> (1,538)
C20H18N2O4

>  <MolWeight> (1,538)
350.36792

>  <COMPOUND_NAME> (1,538)
WAY-353370

>  <BAR_CODE_NO> (1,538)
2563775

$$$$
WAY-353412
csChFnd80/06171916322D

 26 27  0  0  0  0  0  0  0  0999 V2000
    8.1167   -4.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9250   -4.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6292   -7.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4417  -12.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3542   -3.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1917   -8.0917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.9125  -11.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8875   -5.9917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -12.1625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7417   -3.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2292   -6.0875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9792   -2.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6917   -5.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4542   -7.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7167  -11.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5375  -10.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8417  -13.1125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7500   -9.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1792   -2.8417    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   13.9417   -9.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1375  -10.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1625   -3.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5125   -4.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4042   -1.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5917   -2.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2167   -1.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3 14  1  0  0  0  0
  4  7  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7 15  2  0  0  0  0
  8 13  1  0  0  0  0
  9  4  2  0  0  0  0
 10  1  2  0  0  0  0
 11  3  2  0  0  0  0
 12  5  1  0  0  0  0
 13  1  1  0  0  0  0
 14  8  1  0  0  0  0
 15 21  1  0  0  0  0
 16 20  2  0  0  0  0
 17  4  1  0  0  0  0
 18  6  1  0  0  0  0
 19 12  1  0  0  0  0
 20 18  1  0  0  0  0
 21 18  2  0  0  0  0
 22  5  2  0  0  0  0
 23  8  1  0  0  0  0
 24 12  2  0  0  0  0
 25 22  1  0  0  0  0
 26 25  2  0  0  0  0
 24 26  1  0  0  0  0
 16  7  1  0  0  0  0
M  END
>  <Mol_ID> (1,539)
1539

>  <Formula> (1,539)
C18H19ClN4O3

>  <MolWeight> (1,539)
374.82146

>  <COMPOUND_NAME> (1,539)
WAY-353412

>  <BAR_CODE_NO> (1,539)
2563750

$$$$
WAY-353414
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
    9.5792   -4.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2042   -5.3875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5542   -6.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2417   -6.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2792   -4.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6042   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2375   -3.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4292   -8.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5667   -7.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0667   -9.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0667   -7.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1875   -7.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6125   -1.9917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1292   -8.7375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5417   -3.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4250   -6.4875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   13.4292  -10.9542    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.4792   -7.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6375   -3.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3042   -5.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3542   -9.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3500   -7.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6667   -4.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3417   -3.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  6  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  2  0  0  0  0
  7  1  1  0  0  0  0
  8 14  1  0  0  0  0
  9  4  2  0  0  0  0
 10  8  2  0  0  0  0
 11  8  1  0  0  0  0
 12  3  1  0  0  0  0
 13  7  2  0  0  0  0
 14 18  1  0  0  0  0
 15  7  1  0  0  0  0
 16 11  1  0  0  0  0
 17 10  1  0  0  0  0
 18 12  1  0  0  0  0
 19  5  1  0  0  0  0
 20  6  1  0  0  0  0
 21 23  1  0  0  0  0
 22 10  1  0  0  0  0
 23 11  2  0  0  0  0
 24 25  1  0  0  0  0
 25 19  2  0  0  0  0
  3  4  1  0  0  0  0
 20 24  2  0  0  0  0
 22 21  2  0  0  0  0
M  END
>  <Mol_ID> (1,540)
1540

>  <Formula> (1,540)
C17H12Cl2N2O4

>  <MolWeight> (1,540)
379.19418

>  <COMPOUND_NAME> (1,540)
WAY-353414

>  <BAR_CODE_NO> (1,540)
2563752

$$$$
WAY-353002
csChFnd80/06171916322D

 18 19  0  0  0  0  0  0  0  0999 V2000
    9.7542   -5.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9292   -4.5750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1292   -5.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0542   -6.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6375   -5.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8375   -6.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6167   -8.1417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.9625   -6.7875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.6667   -6.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1500   -5.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1292   -8.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3917   -6.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5167   -4.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2375   -7.9042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7167   -5.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3792   -3.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3167   -3.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -9.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  6  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8  1  1  0  0  0  0
  9  8  1  0  0  0  0
 10  4  2  0  0  0  0
 11  7  1  0  0  0  0
 12 10  1  0  0  0  0
 13  5  1  0  0  0  0
 14  6  2  0  0  0  0
 15 13  1  0  0  0  0
 16 13  1  0  0  0  0
 17 13  1  0  0  0  0
 18 11  1  0  0  0  0
  5  9  2  0  0  0  0
 11 12  2  0  0  0  0
M  END
>  <Mol_ID> (1,541)
1541

>  <Formula> (1,541)
C13H16N2OS2

>  <MolWeight> (1,541)
280.40894

>  <COMPOUND_NAME> (1,541)
WAY-353002

>  <BAR_CODE_NO> (1,541)
2563316

$$$$
WAY-353084-A
csChFnd80/06171916322D

 24 25  0  0  0  0  0  0  0  0999 V2000
   12.9542   -9.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3417   -8.3375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.1667   -9.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7250   -7.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0792   -5.2667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.3875  -10.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6625   -4.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3000   -6.2667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8667   -5.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0042  -11.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7917  -10.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9000   -6.2917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.1917  -11.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -10.3750    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.5125   -7.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6917   -6.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8667   -4.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0500   -3.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1500  -10.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2500   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2792   -6.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0417   -4.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0667   -6.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4542   -5.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5 16  1  0  0  0  0
  6  1  1  0  0  0  0
  7  5  1  0  0  0  0
  8  4  2  0  0  0  0
  9  5  1  0  0  0  0
 10  6  2  0  0  0  0
 11  3  1  0  0  0  0
 12 15  1  0  0  0  0
 13 10  1  0  0  0  0
 14 11  1  0  0  0  0
 15  4  1  0  0  0  0
 16 12  1  0  0  0  0
 17  7  1  0  0  0  0
 18  7  1  0  0  0  0
 19  6  1  0  0  0  0
 20  9  2  0  0  0  0
 21  9  1  0  0  0  0
 22 20  1  0  0  0  0
 23 21  2  0  0  0  0
 24 23  1  0  0  0  0
 11 13  2  0  0  0  0
 22 24  2  0  0  0  0
M  END
>  <Mol_ID> (1,542)
1542

>  <Formula> (1,542)
C19H24ClN3O

>  <MolWeight> (1,542)
345.86636

>  <COMPOUND_NAME> (1,542)
WAY-353084-A

>  <BAR_CODE_NO> (1,542)
2563476

$$$$
WAY-353120
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    3.8292   -5.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6042   -8.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4417   -8.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3792   -9.9375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6042   -7.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2125   -5.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9917   -9.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8375   -8.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2167   -7.0875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2125  -10.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4292   -7.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3792  -11.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6792   -4.2750    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.9917   -8.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7667  -11.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4125   -4.2167    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   14.5417   -7.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1625   -8.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7792   -8.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7917   -9.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3792   -7.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 14  1  0  0  0  0
  3  8  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  2  0  0  0  0
  7  4  1  0  0  0  0
  8  7  2  0  0  0  0
  9  5  1  0  0  0  0
 10 12  1  0  0  0  0
 11  2  2  0  0  0  0
 12 15  2  0  0  0  0
 13  1  1  0  0  0  0
 14  9  1  0  0  0  0
 15  7  1  0  0  0  0
 16  6  1  0  0  0  0
 17  3  1  0  0  0  0
 18 17  1  0  0  0  0
 19 22  2  0  0  0  0
 20  5  2  0  0  0  0
 21 10  1  0  0  0  0
 22  6  1  0  0  0  0
 19 20  1  0  0  0  0
  3 10  2  0  0  0  0
 21 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,543)
1543

>  <Formula> (1,543)
C17H15Cl2NO2

>  <MolWeight> (1,543)
336.2125

>  <COMPOUND_NAME> (1,543)
WAY-353120

>  <BAR_CODE_NO> (1,543)
2563508

$$$$
WAY-353135
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    5.1875   -7.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3792  -11.2875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1667   -9.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9667   -5.0917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5875   -7.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7875   -7.0917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.8000  -11.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -2.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5667   -5.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7875   -9.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3792   -7.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -9.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9833   -2.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7792   -5.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -9.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9875  -13.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1667   -5.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2708   -4.9250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1125   -2.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6625   -0.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1250   -0.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6875   -4.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8750    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3 10  2  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6 11  1  0  0  0  0
  7  2  1  0  0  0  0
  8  9  1  0  0  0  0
  9  4  1  0  0  0  0
 10  5  1  0  0  0  0
 11 17  2  0  0  0  0
 12  1  2  0  0  0  0
 13  8  1  0  0  0  0
 14  5  2  0  0  0  0
 15  6  1  0  0  0  0
 16  7  2  0  0  0  0
 17 14  1  0  0  0  0
 18 13  1  0  0  0  0
 19  4  1  0  0  0  0
 20  8  2  0  0  0  0
 21 13  2  0  0  0  0
 22 18  1  0  0  0  0
 23 20  1  0  0  0  0
 24 23  2  0  0  0  0
 11  3  1  0  0  0  0
 15  7  1  0  0  0  0
 21 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,544)
1544

>  <Formula> (1,544)
C18H18N2O3S

>  <MolWeight> (1,544)
342.41212

>  <COMPOUND_NAME> (1,544)
WAY-353135

>  <BAR_CODE_NO> (1,544)
2563493

$$$$
WAY-353251
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
   11.4125   -7.8917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9625   -5.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8292   -5.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6417   -6.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0792   -3.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3625   -5.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4292   -5.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9417   -7.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7167   -6.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1125   -6.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4667   -2.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292   -1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6375   -3.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0625   -6.5292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9167   -2.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1292   -3.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6667   -3.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2750   -1.3667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7375   -3.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7167   -9.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2417   -6.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4542   -5.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9042   -5.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417   -0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2500   -9.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  9  1  0  0  0  0
  3  6  1  0  0  0  0
  4  1  2  0  0  0  0
  5  3  1  0  0  0  0
  6 10  2  0  0  0  0
  7  4  1  0  0  0  0
  8  1  1  0  0  0  0
  9  8  2  0  0  0  0
 10  4  1  0  0  0  0
 11 15  2  0  0  0  0
 12 11  1  0  0  0  0
 13  5  1  0  0  0  0
 14  3  2  0  0  0  0
 15 13  1  0  0  0  0
 16  6  1  0  0  0  0
 17  7  1  0  0  0  0
 18 12  2  0  0  0  0
 19 22  2  0  0  0  0
 20  8  1  0  0  0  0
 21  9  1  0  0  0  0
 22 23  1  0  0  0  0
 23 13  2  0  0  0  0
 24 12  1  0  0  0  0
 25 20  1  0  0  0  0
 26 21  1  0  0  0  0
  2  7  2  0  0  0  0
 17 16  2  0  0  0  0
 19 11  1  0  0  0  0
M  END
>  <Mol_ID> (1,545)
1545

>  <Formula> (1,545)
C21H21N3O2

>  <MolWeight> (1,545)
347.41034

>  <COMPOUND_NAME> (1,545)
WAY-353251

>  <BAR_CODE_NO> (1,545)
2563625

$$$$
WAY-353261
csChFnd80/06171916322D

 22 23  0  0  0  0  0  0  0  0999 V2000
   12.6167  -11.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2542  -11.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3000  -13.2917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.4167  -10.6125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8042  -10.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3125   -7.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9917  -13.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2292  -11.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1375   -9.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0167   -6.5875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6250  -13.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7750   -8.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1792   -5.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5250   -2.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8917   -3.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6417   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0667   -2.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8125   -4.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8875  -10.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7042   -1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -14.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4125   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  2  0  0  0  0
  6  9  1  0  0  0  0
  7  3  1  0  0  0  0
  8  5  1  0  0  0  0
  9  4  1  0  0  0  0
 10  6  1  0  0  0  0
 11  2  2  0  0  0  0
 12  6  2  0  0  0  0
 13 10  1  0  0  0  0
 14 18  1  0  0  0  0
 15 13  2  0  0  0  0
 16 13  1  0  0  0  0
 17 15  1  0  0  0  0
 18 16  2  0  0  0  0
 19  4  1  0  0  0  0
 20 14  1  0  0  0  0
 21  7  1  0  0  0  0
 22 20  1  0  0  0  0
  8  7  2  0  0  0  0
 17 14  2  0  0  0  0
M  END
>  <Mol_ID> (1,546)
1546

>  <Formula> (1,546)
C16H18N2O3S

>  <MolWeight> (1,546)
318.39072

>  <COMPOUND_NAME> (1,546)
WAY-353261

>  <BAR_CODE_NO> (1,546)
2563617

$$$$
WAY-353265
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
    9.1250   -4.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7000   -3.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3292   -3.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1125   -3.1667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4917   -3.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3250   -2.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5167   -4.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2042   -4.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4750   -2.8042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7417   -5.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8542   -4.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5625   -5.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1042   -2.1625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7167   -4.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9542   -3.3292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7417   -3.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3750   -3.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2167   -5.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6292   -5.6542    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.3417   -4.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5917   -4.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5875   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0125   -5.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0042   -4.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7417   -4.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7625   -5.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9542   -5.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7 14  1  0  0  0  0
  8  7  1  0  0  0  0
  9  2  2  0  0  0  0
 10  7  2  0  0  0  0
 11  8  1  0  0  0  0
 12 10  1  0  0  0  0
 13  6  2  0  0  0  0
 14  5  1  0  0  0  0
 15 16  1  0  0  0  0
 16  6  1  0  0  0  0
 17 15  1  0  0  0  0
 18 24  1  0  0  0  0
 19 18  1  0  0  0  0
 20  1  2  0  0  0  0
 21 17  2  0  0  0  0
 22 17  1  0  0  0  0
 23 21  1  0  0  0  0
 24 22  2  0  0  0  0
 25  3  2  0  0  0  0
 26 20  1  0  0  0  0
 27 26  2  0  0  0  0
 25 27  1  0  0  0  0
 11 12  2  0  0  0  0
 23 18  2  0  0  0  0
M  END
>  <Mol_ID> (1,547)
1547

>  <Formula> (1,547)
C20H17ClN2O4

>  <MolWeight> (1,547)
384.81298

>  <COMPOUND_NAME> (1,547)
WAY-353265

>  <BAR_CODE_NO> (1,547)
2563694

$$$$
WAY-353464
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   12.3500  -10.6792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.9750  -11.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7292   -9.6292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3667  -12.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8000   -9.6250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9792  -13.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4167  -10.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2875  -11.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0375   -9.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2042  -13.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1917  -11.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8125  -12.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3375   -9.6292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5042   -9.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6542  -10.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6500   -8.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3750  -14.9375    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    9.8792   -8.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8875  -10.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8292  -14.9250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1875   -8.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1875  -10.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9542  -10.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500   -8.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2250  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  9  1  0  0  0  0
  6  4  2  0  0  0  0
  7  1  2  0  0  0  0
  8  1  2  0  0  0  0
  9 15  2  0  0  0  0
 10 12  2  0  0  0  0
 11  2  2  0  0  0  0
 12 11  1  0  0  0  0
 13 23  1  0  0  0  0
 14  3  1  0  0  0  0
 15 19  1  0  0  0  0
 16 18  2  0  0  0  0
 17  6  1  0  0  0  0
 18 14  1  0  0  0  0
 19 14  2  0  0  0  0
 20 10  1  0  0  0  0
 21  5  1  0  0  0  0
 22  5  1  0  0  0  0
 23 22  1  0  0  0  0
 24 21  1  0  0  0  0
 25 20  1  0  0  0  0
 16  9  1  0  0  0  0
  6 10  1  0  0  0  0
 24 13  1  0  0  0  0
M  END
>  <Mol_ID> (1,548)
1548

>  <Formula> (1,548)
C17H19BrN2O4S

>  <MolWeight> (1,548)
427.31276

>  <COMPOUND_NAME> (1,548)
WAY-353464

>  <BAR_CODE_NO> (1,548)
2563832

$$$$
WAY-353504
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -2.4451   -0.3912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4451    0.6364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7348   -0.8670    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3141   -0.9049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7072    0.6364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3141    1.1502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7072   -0.3912    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8244   -1.9705    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5624   -1.9705    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1831   -0.3912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4790    0.6364    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1831    0.6364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4790    0.1606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7687   -0.3912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7687    0.6364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6376   -0.9049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6376    1.1502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5066   -0.3912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5066    0.6364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6376    2.2951    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  3  9  2  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
  5  7  1  0  0  0  0
 10 12  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (1,549)
1549

>  <Formula> (1,549)
C14H10FNO3S

>  <MolWeight> (1,549)
291.2975032

>  <COMPOUND_NAME> (1,549)
WAY-353504

>  <BAR_CODE_NO> (1,549)
2563894

$$$$
WAY-353526
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
    8.2167  -10.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8167   -9.5917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3375  -15.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6792  -11.1667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8542  -14.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2917  -10.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6792   -9.5542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2667  -15.1542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2250  -11.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3042  -13.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2667   -8.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8917   -9.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3917   -7.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8667   -8.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8417  -12.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2375  -13.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3042  -11.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7000  -12.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8417   -6.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7917   -7.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4167   -8.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8917  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7667   -6.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3667   -5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2167   -5.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8167   -4.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7417   -4.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  6  1  0  0  0  0
  3  5  1  0  0  0  0
  4  1  1  0  0  0  0
  5 10  1  0  0  0  0
  6  1  1  0  0  0  0
  7  1  2  0  0  0  0
  8  3  2  0  0  0  0
  9  4  1  0  0  0  0
 10 16  1  0  0  0  0
 11  2  1  0  0  0  0
 12  2  1  0  0  0  0
 13 14  1  0  0  0  0
 14 21  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17  9  2  0  0  0  0
 18  9  1  0  0  0  0
 19 13  1  0  0  0  0
 20 11  1  0  0  0  0
 21 12  1  0  0  0  0
 22  3  1  0  0  0  0
 23 19  1  0  0  0  0
 24 19  2  0  0  0  0
 25 23  2  0  0  0  0
 26 24  1  0  0  0  0
 27 26  2  0  0  0  0
 20 14  1  0  0  0  0
 10 15  2  0  0  0  0
 27 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,550)
1550

>  <Formula> (1,550)
C22H27N3O2

>  <MolWeight> (1,550)
365.46868

>  <COMPOUND_NAME> (1,550)
WAY-353526

>  <BAR_CODE_NO> (1,550)
2563887

$$$$
WAY-353559
csChFnd80/06171916322D

 24 25  0  0  0  0  0  0  0  0999 V2000
   14.2125   -9.1417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.6042   -8.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4250   -8.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3292   -4.9792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.8125  -10.1792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0750   -6.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2417   -8.5417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1750   -9.7417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5750   -3.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2042   -7.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1875   -2.8750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6542   -7.0667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8417   -7.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8917   -6.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1417   -4.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6750   -5.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3750   -3.8625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6250   -6.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4375   -6.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3875   -7.1125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.3875   -2.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9625   -3.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2167  -11.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -10.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4 14  1  0  0  0  0
  5  1  1  0  0  0  0
  6 12  1  0  0  0  0
  7  1  2  0  0  0  0
  8  1  2  0  0  0  0
  9 15  1  0  0  0  0
 10  2  1  0  0  0  0
 11 21  1  0  0  0  0
 12 13  1  0  0  0  0
 13  3  1  0  0  0  0
 14  6  1  0  0  0  0
 15  4  1  0  0  0  0
 16  6  2  0  0  0  0
 17  9  2  0  0  0  0
 18 10  2  0  0  0  0
 19 18  1  0  0  0  0
 20 10  1  0  0  0  0
 21 22  1  0  0  0  0
 22  4  1  0  0  0  0
 23  5  1  0  0  0  0
 24  5  1  0  0  0  0
 13 19  2  0  0  0  0
 11  9  1  0  0  0  0
M  END
>  <Mol_ID> (1,551)
1551

>  <Formula> (1,551)
C14H19ClN4O4S

>  <MolWeight> (1,551)
374.84306

>  <COMPOUND_NAME> (1,551)
WAY-353559

>  <BAR_CODE_NO> (1,551)
2563947

$$$$
WAY-353756
csChFnd80/06171916322D

 28 30  0  0  0  0  0  0  0  0999 V2000
    9.2792   -6.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.6250   -6.4042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2792   -7.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9417   -6.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5500   -7.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3000   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1750   -8.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2625   -7.7542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2917   -5.0667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6250   -4.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8000   -9.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4042   -3.0292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2667   -5.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1750   -6.4875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3542   -3.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6375   -1.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3667   -2.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2417   -9.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9292   -5.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2542   -7.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9292   -7.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0917  -10.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8792  -11.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2667   -6.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2792   -4.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7292  -12.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0542  -12.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  5  1  0  0  0  0
  8  1  2  0  0  0  0
  9  1  2  0  0  0  0
 10  6  1  0  0  0  0
 11  7  1  0  0  0  0
 12 10  1  0  0  0  0
 13  4  1  0  0  0  0
 14  5  2  0  0  0  0
 15 10  2  0  0  0  0
 16 12  1  0  0  0  0
 17 15  1  0  0  0  0
 18 11  1  0  0  0  0
 19 13  2  0  0  0  0
 20  4  2  0  0  0  0
 21 20  1  0  0  0  0
 22 11  2  0  0  0  0
 23 18  1  0  0  0  0
 24 18  2  0  0  0  0
 25 21  2  0  0  0  0
 26 19  1  0  0  0  0
 27 22  1  0  0  0  0
 28 27  2  0  0  0  0
 25 19  1  0  0  0  0
 16 17  2  0  0  0  0
 28 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,552)
1552

>  <Formula> (1,552)
C21H22N2O4S

>  <MolWeight> (1,552)
398.47538

>  <COMPOUND_NAME> (1,552)
WAY-353756

>  <BAR_CODE_NO> (1,552)
2564192

$$$$
WAY-353770
csChFnd80/06171916322D

 29 31  0  0  0  0  0  0  0  0999 V2000
   13.3292   -3.9667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.5125   -4.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1750   -4.6292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5375   -4.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3417   -4.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9542   -3.5792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3167   -4.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3167   -2.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8875   -3.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2542   -2.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3417   -3.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2542   -3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7792   -5.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3375   -5.5417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5792   -5.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7042   -1.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7917   -6.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8375   -5.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1667   -4.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0042   -5.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7167   -3.6667    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.6417   -1.8417    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.8375   -1.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4542   -2.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8417   -6.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2875   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2167   -0.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1667   -6.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  1  0  0  0  0
  4  7  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  5  2  0  0  0  0
  8  9  1  0  0  0  0
  9  6  1  0  0  0  0
 10  8  1  0  0  0  0
 11  1  2  0  0  0  0
 12  1  2  0  0  0  0
 13 17  1  0  0  0  0
 14  2  2  0  0  0  0
 15  5  1  0  0  0  0
 16 10  2  0  0  0  0
 17 15  2  0  0  0  0
 18 25  1  0  0  0  0
 19  3  1  0  0  0  0
 20  3  1  0  0  0  0
 21 10  1  0  0  0  0
 22 16  1  0  0  0  0
 23  8  2  0  0  0  0
 24  6  1  0  0  0  0
 25 20  1  0  0  0  0
 26 19  1  0  0  0  0
 27 23  1  0  0  0  0
 28 27  2  0  0  0  0
 29 13  1  0  0  0  0
 18 26  1  0  0  0  0
 13  4  2  0  0  0  0
 16 28  1  0  0  0  0
M  END
>  <Mol_ID> (1,553)
1553

>  <Formula> (1,553)
C20H22Cl2N2O4S

>  <MolWeight> (1,553)
457.37068

>  <COMPOUND_NAME> (1,553)
WAY-353770

>  <BAR_CODE_NO> (1,553)
2564122

$$$$
WAY-353807
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
   12.2792   -8.1375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.4375   -9.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0500   -8.1417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2125   -9.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5000   -8.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6167  -10.3167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0542  -10.2875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5875   -8.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.1292   -9.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2917   -9.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2625   -6.9125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2417  -11.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4542  -11.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3250   -6.0792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.1042   -7.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1917   -7.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3625   -8.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3292   -7.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3542   -9.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5542   -6.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7167   -7.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4667   -5.9917    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.9542   -8.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -10.2250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.6917   -5.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6500   -2.8792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6417  -12.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0917  -12.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2875   -3.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4917  -13.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2667  -13.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  2  0  0  0  0
  7  2  2  0  0  0  0
  8  4  1  0  0  0  0
  9  5  2  0  0  0  0
 10  1  2  0  0  0  0
 11  1  2  0  0  0  0
 12 13  1  0  0  0  0
 13  7  1  0  0  0  0
 14 21  1  0  0  0  0
 15  5  1  0  0  0  0
 16  8  1  0  0  0  0
 17  8  1  0  0  0  0
 18 15  2  0  0  0  0
 19  9  1  0  0  0  0
 20 16  1  0  0  0  0
 21 17  1  0  0  0  0
 22 15  1  0  0  0  0
 23 18  1  0  0  0  0
 24 19  1  0  0  0  0
 25 14  1  0  0  0  0
 26 29  1  0  0  0  0
 27 12  2  0  0  0  0
 28 13  2  0  0  0  0
 29 25  1  0  0  0  0
 30 28  1  0  0  0  0
 31 30  2  0  0  0  0
 19 23  2  0  0  0  0
 12  6  1  0  0  0  0
 14 20  1  0  0  0  0
 27 31  1  0  0  0  0
M  END
>  <Mol_ID> (1,554)
1554

>  <Formula> (1,554)
C20H21F2N5O3S

>  <MolWeight> (1,554)
449.4742464

>  <COMPOUND_NAME> (1,554)
WAY-353807

>  <BAR_CODE_NO> (1,554)
2564326

$$$$
WAY-353843
csChFnd80/06171916322D

 23 24  0  0  0  0  0  0  0  0999 V2000
   13.1917   -7.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0250   -7.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7250   -9.1167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.3542   -6.7292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.2417   -6.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3625   -5.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1750   -9.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4292   -7.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0292   -6.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0292   -5.5917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4417   -8.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3542   -4.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0292   -4.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0292   -4.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3625   -3.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0042   -5.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0250   -3.2875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3542   -2.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -9.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0167   -3.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0250   -2.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3542   -4.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3292   -4.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  2  0  0  0  0
  6  9  1  0  0  0  0
  7  3  1  0  0  0  0
  8  5  1  0  0  0  0
  9  4  1  0  0  0  0
 10  6  1  0  0  0  0
 11  2  2  0  0  0  0
 12 10  1  0  0  0  0
 13  6  2  0  0  0  0
 14 12  2  0  0  0  0
 15 14  1  0  0  0  0
 16  4  1  0  0  0  0
 17 15  1  0  0  0  0
 18 20  2  0  0  0  0
 19  7  1  0  0  0  0
 20 12  1  0  0  0  0
 21 18  1  0  0  0  0
 22 17  1  0  0  0  0
 23 16  1  0  0  0  0
  7  8  2  0  0  0  0
 21 15  2  0  0  0  0
M  END
>  <Mol_ID> (1,555)
1555

>  <Formula> (1,555)
C17H20N2O3S

>  <MolWeight> (1,555)
332.4173

>  <COMPOUND_NAME> (1,555)
WAY-353843

>  <BAR_CODE_NO> (1,555)
2564417

$$$$
WAY-353847
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   12.4792  -10.9917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.6375  -12.9917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9042   -9.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6375  -10.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9042  -11.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5417   -8.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2167  -12.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4792  -12.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7000   -8.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7542   -9.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2042  -13.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1792   -8.9917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4875   -8.9917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9625  -10.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2792   -7.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2792   -9.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0250   -8.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4417   -7.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4417   -9.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9667   -7.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6292  -14.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3667  -13.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2042  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9417  -14.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3542  -15.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  8  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  9  1  0  0  0  0
  7  4  1  0  0  0  0
  8  5  1  0  0  0  0
  9 16  1  0  0  0  0
 10  3  1  0  0  0  0
 11  2  1  0  0  0  0
 12 10  1  0  0  0  0
 13  3  2  0  0  0  0
 14  6  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  2  0  0  0  0
 17 12  1  0  0  0  0
 18 17  2  0  0  0  0
 19 17  1  0  0  0  0
 20  6  1  0  0  0  0
 21 11  1  0  0  0  0
 22 11  2  0  0  0  0
 23 21  2  0  0  0  0
 24 22  1  0  0  0  0
 25 24  2  0  0  0  0
  2  7  1  0  0  0  0
 15  9  2  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,556)
1556

>  <Formula> (1,556)
C20H23N3O2

>  <MolWeight> (1,556)
337.41552

>  <COMPOUND_NAME> (1,556)
WAY-353847

>  <BAR_CODE_NO> (1,556)
2564204

$$$$
WAY-353857
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
    2.3604    3.9560    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4913    4.4577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4923    5.4525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3572    5.9543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2213    5.4613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2254    4.4579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3582    6.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2246    7.4535    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4926    7.4551    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    2.9526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    2.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    1.4500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6500    0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2200    1.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2200    2.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6400    2.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0845    2.9526    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0800    0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0800   -0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2200   -0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6500   -0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  1 10  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 16  2  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 21  1  0  0  0  0
 14 15  2  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (1,557)
1557

>  <Formula> (1,557)
C15H18N4O2

>  <MolWeight> (1,557)
286.32902

>  <COMPOUND_NAME> (1,557)
WAY-353857

>  <BAR_CODE_NO> (1,557)
2564221

$$$$
WAY-354030
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -2.3423    0.7039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3423   -0.3236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6043    0.7039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2112    1.2143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6319   -0.7995    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2112   -0.8374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6043   -0.3236    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5819    0.7039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0802    0.7039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7630   -1.9029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5802   -1.8650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0802   -0.3236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5819    0.2281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8715   -0.3236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8715    0.7039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7405   -0.8374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7405    1.2143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8439    0.9798    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.6094   -0.3236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6094    0.7039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
  5  7  1  0  0  0  0
  9 12  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,558)
1558

>  <Formula> (1,558)
C14H10FNO3S

>  <MolWeight> (1,558)
291.2975032

>  <COMPOUND_NAME> (1,558)
WAY-354030

>  <BAR_CODE_NO> (1,558)
2564419

$$$$
WAY-354053
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    9.0250  -10.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7667  -11.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2542  -11.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1000  -11.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3542  -12.3542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2875   -9.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8625  -10.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5167  -12.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6042  -11.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8625   -8.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8292  -12.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3500  -10.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6000   -9.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0250   -8.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2417  -13.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8417  -10.3667    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.0917  -13.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1250   -9.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2875   -7.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -12.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5500   -8.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1250   -7.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  9  1  0  0  0  0
  3  4  1  0  0  0  0
  4  8  2  0  0  0  0
  5  2  1  0  0  0  0
  6  7  1  0  0  0  0
  7  1  1  0  0  0  0
  8  5  1  0  0  0  0
  9  1  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12  2  2  0  0  0  0
 13  1  1  0  0  0  0
 14 13  1  0  0  0  0
 15 17  2  0  0  0  0
 16  3  1  0  0  0  0
 17  8  1  0  0  0  0
 18  6  2  0  0  0  0
 19 10  2  0  0  0  0
 20 11  1  0  0  0  0
 21 18  1  0  0  0  0
 22 19  1  0  0  0  0
  6 10  1  0  0  0  0
 21 22  2  0  0  0  0
 11  3  2  0  0  0  0
M  END
>  <Mol_ID> (1,559)
1559

>  <Formula> (1,559)
C18H19FN2O

>  <MolWeight> (1,559)
298.3546632

>  <COMPOUND_NAME> (1,559)
WAY-354053

>  <BAR_CODE_NO> (1,559)
2564442

$$$$
WAY-354453
csChFnd80/06171916322D

 18 19  0  0  0  0  0  0  0  0999 V2000
   12.8500   -9.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7000   -7.9792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4792   -8.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5917  -10.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8500   -7.7625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.9792   -8.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9167   -9.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4792   -7.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7375  -10.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8500   -6.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5917   -4.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9625   -2.7917    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    7.4792   -6.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5917   -5.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8500   -5.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9542   -4.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5917   -6.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -10.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  4  2  0  0  0  0
  8  5  1  0  0  0  0
  9  3  2  0  0  0  0
 10  8  1  0  0  0  0
 11 16  1  0  0  0  0
 12 11  1  0  0  0  0
 13 10  2  0  0  0  0
 14 10  1  0  0  0  0
 15 13  1  0  0  0  0
 16 14  2  0  0  0  0
 17  5  1  0  0  0  0
 18  7  1  0  0  0  0
  7  6  1  0  0  0  0
 11 15  2  0  0  0  0
M  END
>  <Mol_ID> (1,560)
1560

>  <Formula> (1,560)
C13H13BrN2O2

>  <MolWeight> (1,560)
309.15852

>  <COMPOUND_NAME> (1,560)
WAY-354453

>  <BAR_CODE_NO> (1,560)
2564643

$$$$
WAY-354507
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
    9.6792   -5.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5042   -5.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5042   -6.7667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4167   -6.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6875   -7.1542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4917   -4.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3125   -5.1917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5917   -4.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4917   -3.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1417   -8.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6542   -6.1417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.0667   -3.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3125   -3.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5292   -7.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3792   -8.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2792   -7.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1417   -6.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3417   -4.1917    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   15.9792   -7.2167    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.2292   -3.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5250   -9.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -9.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0292   -3.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6292   -1.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1417  -10.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3875  -10.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8000   -0.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2000   -2.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5792   -1.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  2  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  6  2  0  0  0  0
 10 14  1  0  0  0  0
 11  4  1  0  0  0  0
 12  1  1  0  0  0  0
 13  9  1  0  0  0  0
 14 16  1  0  0  0  0
 15 10  2  0  0  0  0
 16 11  1  0  0  0  0
 17 14  2  0  0  0  0
 18  8  1  0  0  0  0
 19 15  1  0  0  0  0
 20 12  1  0  0  0  0
 21 10  1  0  0  0  0
 22 15  1  0  0  0  0
 23 20  2  0  0  0  0
 24 20  1  0  0  0  0
 25 21  2  0  0  0  0
 26 25  1  0  0  0  0
 27 24  2  0  0  0  0
 28 23  1  0  0  0  0
 29 27  1  0  0  0  0
  5  3  1  0  0  0  0
  8 13  2  0  0  0  0
 28 29  2  0  0  0  0
 22 26  2  0  0  0  0
M  END
>  <Mol_ID> (1,561)
1561

>  <Formula> (1,561)
C21H15BrFN3O2S

>  <MolWeight> (1,561)
472.3301032

>  <COMPOUND_NAME> (1,561)
WAY-354507

>  <BAR_CODE_NO> (1,561)
2564673

$$$$
WAY-354611
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   14.1667   -8.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7417   -5.8500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3417   -7.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9542   -8.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3292   -6.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7750   -7.8667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1625   -6.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9417   -6.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7792   -9.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5917   -5.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7750   -7.8417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0250   -6.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3417   -9.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5042   -6.8375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.6250   -7.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1125   -7.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1750  -11.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7667   -5.7667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9542  -11.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0042   -4.8792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -9.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0667   -8.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7792  -12.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9042   -8.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3542   -9.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5 14  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  1  2  0  0  0  0
 10  2  2  0  0  0  0
 11  5  2  0  0  0  0
 12 15  2  0  0  0  0
 13  4  2  0  0  0  0
 14 16  1  0  0  0  0
 15 11  1  0  0  0  0
 16  3  1  0  0  0  0
 17  9  1  0  0  0  0
 18  7  2  0  0  0  0
 19 17  2  0  0  0  0
 20 10  1  0  0  0  0
 21  9  1  0  0  0  0
 22 15  1  0  0  0  0
 23 17  1  0  0  0  0
 24 22  1  0  0  0  0
 25 24  1  0  0  0  0
 19 13  1  0  0  0  0
  3  8  2  0  0  0  0
 12 10  1  0  0  0  0
M  END
>  <Mol_ID> (1,562)
1562

>  <Formula> (1,562)
C19H20N2O3S

>  <MolWeight> (1,562)
356.4387

>  <COMPOUND_NAME> (1,562)
WAY-354611

>  <BAR_CODE_NO> (1,562)
2564818

$$$$
WAY-354715
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   14.1167   -8.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4042   -8.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4292   -7.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8542   -9.3500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.7792   -9.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.0167   -5.9792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.8542  -10.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3042   -5.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1667   -6.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1292   -7.1542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.4917   -4.9917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5292   -3.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2042   -5.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0125   -2.7167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4417   -6.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5542   -7.2042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2500   -3.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0292   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9375   -2.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5667   -9.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9125  -11.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1167   -3.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8917   -4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  2  0  0  0  0
  8  5  2  0  0  0  0
  9  7  1  0  0  0  0
 10 16  1  0  0  0  0
 11  3  1  0  0  0  0
 12 10  1  0  0  0  0
 13 14  1  0  0  0  0
 14 12  1  0  0  0  0
 15 13  1  0  0  0  0
 16 11  1  0  0  0  0
 17 10  2  0  0  0  0
 18 13  2  0  0  0  0
 19 15  1  0  0  0  0
 20 18  1  0  0  0  0
 21  5  1  0  0  0  0
 22  8  1  0  0  0  0
 23 12  1  0  0  0  0
 24  9  1  0  0  0  0
  8  4  1  0  0  0  0
  6  9  2  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,563)
1563

>  <Formula> (1,563)
C17H19N3O2S2

>  <MolWeight> (1,563)
361.48166

>  <COMPOUND_NAME> (1,563)
WAY-354715

>  <BAR_CODE_NO> (1,563)
2564970

$$$$
WAY-354766
csChFnd80/06171916322D

 30 32  0  0  0  0  0  0  0  0999 V2000
    3.0417   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8500    0.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1167    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3417   -1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7750   -0.8375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6000   -0.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000   -1.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9542   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5667    1.5083    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4042   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7000   -1.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9250    1.0458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5625    3.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8375    2.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    0.5625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2917    2.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3667    3.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9167    3.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4708   -1.5250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6417    2.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417    0.0458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542   -2.7542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3917   -0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4667    0.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0167    4.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6375    4.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208   -0.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167   -3.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2000   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  7  1  0  0  0  0
  5  1  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  2  0  0  0  0
  8  5  1  0  0  0  0
  9  3  1  0  0  0  0
 10  8  2  0  0  0  0
 11  8  1  0  0  0  0
 12  3  1  0  0  0  0
 13 16  1  0  0  0  0
 14  9  1  0  0  0  0
 15  1  2  0  0  0  0
 16 14  2  0  0  0  0
 17 18  1  0  0  0  0
 18 20  2  0  0  0  0
 19  4  1  0  0  0  0
 20 14  1  0  0  0  0
 21  6  1  0  0  0  0
 22  7  1  0  0  0  0
 23  2  1  0  0  0  0
 24 30  1  0  0  0  0
 25 13  1  0  0  0  0
 26 17  1  0  0  0  0
 27 19  1  0  0  0  0
 28 22  1  0  0  0  0
 29 21  1  0  0  0  0
 30 23  2  0  0  0  0
  6  4  2  0  0  0  0
 12 24  2  0  0  0  0
 13 17  2  0  0  0  0
M  END
>  <Mol_ID> (1,564)
1564

>  <Formula> (1,564)
C23H24N2O4S

>  <MolWeight> (1,564)
424.51266

>  <COMPOUND_NAME> (1,564)
WAY-354766

>  <BAR_CODE_NO> (1,564)
2564984

$$$$
WAY-354799
csChFnd80/06171916322D

 26 27  0  0  0  0  0  0  0  0999 V2000
    7.2667  -13.6750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4417   -4.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833   -2.6167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0167  -12.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417   -1.8042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667   -5.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0417   -2.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208   -4.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6542  -14.4167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1917  -10.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5167  -15.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8792  -12.9250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2542   -6.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0917   -8.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8417   -5.5750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9250   -9.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5125   -7.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000   -5.4792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6667   -6.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5792  -12.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5917   -2.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1583   -5.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3167  -10.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0000  -13.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7000  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4917   -9.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  6  1  0  0  0  0
  3  8  2  0  0  0  0
  4  1  1  0  0  0  0
  5  7  1  0  0  0  0
  6 15  1  0  0  0  0
  7  2  2  0  0  0  0
  8  2  1  0  0  0  0
  9  1  1  0  0  0  0
 10  4  2  0  0  0  0
 11  1  2  0  0  0  0
 12  1  2  0  0  0  0
 13 14  1  0  0  0  0
 14 16  1  0  0  0  0
 15 19  1  0  0  0  0
 16 10  1  0  0  0  0
 17  6  2  0  0  0  0
 18 13  2  0  0  0  0
 19 13  1  0  0  0  0
 20  4  1  0  0  0  0
 21  7  1  0  0  0  0
 22  8  1  0  0  0  0
 23 20  2  0  0  0  0
 24  9  1  0  0  0  0
 25  9  1  0  0  0  0
 26 23  1  0  0  0  0
 16 26  2  0  0  0  0
  3  5  1  0  0  0  0
M  END
>  <Mol_ID> (1,565)
1565

>  <Formula> (1,565)
C16H19N3O6S

>  <MolWeight> (1,565)
381.40356

>  <COMPOUND_NAME> (1,565)
WAY-354799

>  <BAR_CODE_NO> (1,565)
2565067

$$$$
CL-422841
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -3.0167    0.2892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0167    1.8271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5379   -0.1709    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3180   -0.4864    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5379    2.2675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3180    2.5632    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6835    1.0384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0121   -1.5839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6457    0.2892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0121    3.6937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6457    1.8271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9004    1.0384    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9717   -2.7407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9601   -0.4864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4892    5.1120    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9601    2.5632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2543    0.0131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4636   -2.4909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2812    0.2892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2812    1.8271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7397    0.1183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6431   -1.1699    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4101   -3.6805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5481   -1.1436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4232    1.4262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2569   -3.8843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0729   -1.0581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9151    1.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7564    0.2892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1694    0.4009    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  3  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 13 18  1  0  0  0  0
 14 19  2  0  0  0  0
 16 20  2  0  0  0  0
 17 21  1  0  0  0  0
 17 22  2  0  0  0  0
 18 23  1  0  0  0  0
 21 24  1  0  0  0  0
 21 25  2  0  0  0  0
 23 26  1  0  0  0  0
 24 27  2  0  0  0  0
 25 28  1  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
  5  7  2  0  0  0  0
  9 11  2  0  0  0  0
 19 20  1  0  0  0  0
 28 29  2  0  0  0  0
M  END
>  <Mol_ID> (1,566)
1566

>  <Formula> (1,566)
C23H20FN5O

>  <MolWeight> (1,566)
401.4362032

>  <COMPOUND_NAME> (1,566)
CL-422841

>  <BAR_CODE_NO> (1,566)
2569241

$$$$
GI-505946
csChFnd80/06171916322D

 18 19  0  0  0  0  0  0  0  0999 V2000
    1.3889   -0.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4820   -0.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8406   -1.2874    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8406    0.6540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0406    0.6402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2663   -1.2977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3889    1.6092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4958    1.5988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1475    0.6402    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.8249   -0.3426    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8111   -2.2564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0544    2.5678    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.8939   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3284   -1.1391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4525    0.5919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4491   -1.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5456    0.5643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1077   -0.3908    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  2  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
  7  8  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,567)
1567

>  <Formula> (1,567)
C12H9Cl2N3O

>  <MolWeight> (1,567)
282.12536

>  <COMPOUND_NAME> (1,567)
GI-505946

>  <BAR_CODE_NO> (1,567)
2571133

$$$$
GI-570663
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -1.4886    1.2189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6989    1.4776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4886    0.3741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2127    1.6327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2334    0.8224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4058    2.2707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6989    0.1327    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2127   -0.0397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9368    1.2189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6114    0.8569    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9575    2.9051    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4045    2.4224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9368    0.3914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0597    0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6632   -0.5914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9045    0.1845    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1011   -1.2983    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9390   -1.2880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7149   -2.0293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3770   -1.9949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1356   -2.7190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9735   -2.7259    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3873   -3.3707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
  8 13  1  0  0  0  0
 10 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
  5  7  1  0  0  0  0
  9 13  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,568)
1568

>  <Formula> (1,568)
C16H24N4O2S

>  <MolWeight> (1,568)
336.45236

>  <COMPOUND_NAME> (1,568)
GI-570663

>  <BAR_CODE_NO> (1,568)
2569045

$$$$
WAY-134464
csChFnd80/06171916322D

 24 27  0  0  0  0  0  0  0  0999 V2000
    0.2929    1.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5284   -0.1082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7890    1.4325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4711    2.3938    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0882    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1082   -1.5534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9736    2.9223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5284    3.5844    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9223   -1.3115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7131   -2.8013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9796    4.0619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2729   -2.6803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5084    5.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4821    3.6990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1005   -3.9409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5207    6.6340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9486    5.9146    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4944    4.9023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6603   -3.8200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4511   -5.3734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9596    6.3348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4944   -5.1442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2788   -6.6340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8450   -6.5130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  9 12  2  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  2  0  0  0  0
 15 20  1  0  0  0  0
 16 21  2  0  0  0  0
 19 22  1  0  0  0  0
 20 23  2  0  0  0  0
 22 24  2  0  0  0  0
  7  8  2  0  0  0  0
 10 12  1  0  0  0  0
 18 21  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,569)
1569

>  <Formula> (1,569)
C20H15N3O

>  <MolWeight> (1,569)
313.3526

>  <COMPOUND_NAME> (1,569)
WAY-134464

>  <BAR_CODE_NO> (1,569)
2571222

$$$$
WAY-341081-A
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
    5.3625   -2.5542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1250   -3.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6000   -1.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1917   -2.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125   -2.5625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9542   -3.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1875   -1.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125   -4.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9417   -1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3542   -1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8792   -2.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2292   -2.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000   -2.5667    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4667   -3.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4667   -1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6375   -3.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6375   -1.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4292   -1.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5917   -0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8417   -1.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4167   -0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  6  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7 10  1  0  0  0  0
  8  2  2  0  0  0  0
  9  1  1  0  0  0  0
 10  9  1  0  0  0  0
 11  5  1  0  0  0  0
 12 17  2  0  0  0  0
 13 12  1  0  0  0  0
 14 11  1  0  0  0  0
 15 11  2  0  0  0  0
 16 14  2  0  0  0  0
 17 15  1  0  0  0  0
 18  3  1  0  0  0  0
 19  7  1  0  0  0  0
 20 18  2  0  0  0  0
 21 19  2  0  0  0  0
  3  7  2  0  0  0  0
 21 20  1  0  0  0  0
 12 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,570)
1570

>  <Formula> (1,570)
C17H17ClN2O

>  <MolWeight> (1,570)
300.78268

>  <COMPOUND_NAME> (1,570)
WAY-341081-A

>  <BAR_CODE_NO> (1,570)
2572709

$$$$
WAY-344311
csChFnd80/06171916322D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -1.1347    0.1515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5726    0.4653    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2899   -0.3554    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6243    0.3343    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0105    0.1274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8416   -0.3554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2105   -0.0071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1692   -0.7864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2826    0.1619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3105   -0.5381    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6860   -0.1864    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1929   -0.0174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2860    0.5170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5929   -0.3623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8032    0.6929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1101   -0.1864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2101    0.3446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
  5  6  2  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,571)
1571

>  <Formula> (1,571)
C12H12N2OS2

>  <MolWeight> (1,571)
264.36648

>  <COMPOUND_NAME> (1,571)
WAY-344311

>  <BAR_CODE_NO> (1,571)
2571182

$$$$
WAY-345196
csChFnd80/06171916322D

 21 22  0  0  0  0  0  0  0  0999 V2000
    2.5067   -0.3557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5136   -1.5660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5446    0.2478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4619    0.2478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5584   -2.1626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5860   -0.3557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4239   -0.3557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5860   -1.5660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6243    0.2478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6343   -2.1626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6623   -0.3557    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6243    1.4443    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6826   -1.5660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7036    0.2478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5554    1.4409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6657   -0.4867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2830    2.3926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8692   -0.3212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4795    2.5374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5933    0.6236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4381    1.8236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
  6  8  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,572)
1572

>  <Formula> (1,572)
C17H25NO3

>  <MolWeight> (1,572)
291.3853

>  <COMPOUND_NAME> (1,572)
WAY-345196

>  <BAR_CODE_NO> (1,572)
2570694

$$$$
WAY-346671
csChFnd80/06171916322D

 21 22  0  0  0  0  0  0  0  0999 V2000
    4.2000   -2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000   -2.9167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -1.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000   -3.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7667   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0500   -1.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000   -4.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000   -1.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6042   -2.9167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7667   -0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000   -4.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6167   -4.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000   -5.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000   -5.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6042   -5.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000   -6.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3500   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0500   -0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000   -7.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3500   -0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  2  0  0  0  0
  7  4  1  0  0  0  0
  8  1  2  0  0  0  0
  9  4  2  0  0  0  0
 10  5  1  0  0  0  0
 11  7  2  0  0  0  0
 12  7  1  0  0  0  0
 13 15  1  0  0  0  0
 14 11  1  0  0  0  0
 15 12  2  0  0  0  0
 16 13  1  0  0  0  0
 17  6  1  0  0  0  0
 18 10  1  0  0  0  0
 19 10  2  0  0  0  0
 20 16  1  0  0  0  0
 21 19  1  0  0  0  0
 17 21  2  0  0  0  0
 13 14  2  0  0  0  0
M  END
>  <Mol_ID> (1,573)
1573

>  <Formula> (1,573)
C15H15N3O3

>  <MolWeight> (1,573)
285.2979

>  <COMPOUND_NAME> (1,573)
WAY-346671

>  <BAR_CODE_NO> (1,573)
2569787

$$$$
WAY-346705
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -2.8208    1.2833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2000    0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2000    1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8208    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8208    0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833    0.1625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8625    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5625   -0.8292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458   -0.4500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1833    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833   -0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458    0.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000    0.7208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    2.4458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    0.1208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1833    0.1625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3833    1.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3833    0.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9458    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9458    0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6 13  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  2  0  0  0  0
  9 12  2  0  0  0  0
 10  1  1  0  0  0  0
 11  6  1  0  0  0  0
 12  6  1  0  0  0  0
 13  7  1  0  0  0  0
 14  3  2  0  0  0  0
 15  2  2  0  0  0  0
 16  7  2  0  0  0  0
 17  4  1  0  0  0  0
 18  5  1  0  0  0  0
 19 17  2  0  0  0  0
 20 18  2  0  0  0  0
  5  4  2  0  0  0  0
 20 19  1  0  0  0  0
  9  8  1  0  0  0  0
M  END
>  <Mol_ID> (1,574)
1574

>  <Formula> (1,574)
C12H9N5O3

>  <MolWeight> (1,574)
271.23156

>  <COMPOUND_NAME> (1,574)
WAY-346705

>  <BAR_CODE_NO> (1,574)
2569769

$$$$
WAY-350355
csChFnd80/06171916322D

 21 22  0  0  0  0  0  0  0  0999 V2000
    3.7667   -1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5500   -1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042    0.9208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6875    0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8792   -3.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0292    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5167   -7.3125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4167   -5.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6167   -9.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1042   -3.4875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7625   -5.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4167  -11.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5000   -3.5250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2125   -5.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2292  -11.1500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292   -2.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2667    4.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8750   -9.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6000  -13.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -11.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8542  -13.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  2  0  0  0  0
  7  8  1  0  0  0  0
  8 14  1  0  0  0  0
  9  7  1  0  0  0  0
 10  5  1  0  0  0  0
 11  5  2  0  0  0  0
 12  9  2  0  0  0  0
 13  8  2  0  0  0  0
 14 10  1  0  0  0  0
 15 12  1  0  0  0  0
 16  2  1  0  0  0  0
 17  6  1  0  0  0  0
 18  9  1  0  0  0  0
 19 12  1  0  0  0  0
 20 18  2  0  0  0  0
 21 20  1  0  0  0  0
  3  6  1  0  0  0  0
 19 21  2  0  0  0  0
M  END
>  <Mol_ID> (1,575)
1575

>  <Formula> (1,575)
C15H14FNO4

>  <MolWeight> (1,575)
291.2743632

>  <COMPOUND_NAME> (1,575)
WAY-350355

>  <BAR_CODE_NO> (1,575)
2572860

$$$$
WAY-354875
csChFnd80/06171916322D

 25 29  0  0  0  0  0  0  0  0999 V2000
    6.7667   -7.3417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8542   -6.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5167   -7.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9667   -7.5167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5500   -6.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1000   -6.1792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.0667   -7.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6542   -6.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7292   -6.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1792   -7.3292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4250   -6.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6917   -8.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3167   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5042   -6.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1375   -9.0917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7167   -7.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4417   -8.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5500   -9.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3667   -9.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7167   -8.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2875   -8.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2875   -7.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -8.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667   -8.6500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  2  1  0  0  0  0
  7  3  2  0  0  0  0
  8  2  2  0  0  0  0
  9  5  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12  3  1  0  0  0  0
 13  9  2  0  0  0  0
 14 13  1  0  0  0  0
 15 12  1  0  0  0  0
 16 11  1  0  0  0  0
 17 12  2  0  0  0  0
 18 15  1  0  0  0  0
 19 17  1  0  0  0  0
 20 16  2  0  0  0  0
 21 16  1  0  0  0  0
 22 24  1  0  0  0  0
 23 20  1  0  0  0  0
 24 21  2  0  0  0  0
 25 22  1  0  0  0  0
  7  8  1  0  0  0  0
  6  5  1  0  0  0  0
 18 19  2  0  0  0  0
 14 11  2  0  0  0  0
 23 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,576)
1576

>  <Formula> (1,576)
C17H9FN4O2S

>  <MolWeight> (1,576)
352.3423632

>  <COMPOUND_NAME> (1,576)
WAY-354875

>  <BAR_CODE_NO> (1,576)
2565130

$$$$
WAY-354896
csChFnd80/06171916322D

 23 26  0  0  0  0  0  0  0  0999 V2000
    3.6917   -3.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4042   -4.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4167   -2.5917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7042   -3.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1292   -3.0167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1167   -3.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8417   -2.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2750   -2.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5542   -3.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2792   -1.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9875   -4.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3917   -5.0667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9792   -3.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0042   -1.4042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9917   -2.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8542   -1.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5667   -1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2750   -3.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2750   -2.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5542   -4.2417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7042   -2.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7167   -1.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417   -3.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  2  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  5  1  0  0  0  0
  8  9  1  0  0  0  0
  9  7  2  0  0  0  0
 10 17  1  0  0  0  0
 11  1  1  0  0  0  0
 12  2  2  0  0  0  0
 13  8  1  0  0  0  0
 14 10  1  0  0  0  0
 15  4  1  0  0  0  0
 16  7  1  0  0  0  0
 17 16  2  0  0  0  0
 18 11  2  0  0  0  0
 19 18  1  0  0  0  0
 20 18  1  0  0  0  0
 21 13  1  0  0  0  0
 22 14  1  0  0  0  0
 23 20  1  0  0  0  0
  5  6  1  0  0  0  0
 19 15  2  0  0  0  0
  8 10  2  0  0  0  0
 22 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,577)
1577

>  <Formula> (1,577)
C18H16O5

>  <MolWeight> (1,577)
312.31664

>  <COMPOUND_NAME> (1,577)
WAY-354896

>  <BAR_CODE_NO> (1,577)
2565234

$$$$
WAY-355166
csChFnd80/06171916322D

 21 22  0  0  0  0  0  0  0  0999 V2000
   13.3125   -8.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8042   -9.6917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.1750   -8.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3375   -7.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2125   -9.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4792   -8.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6792   -7.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0917   -6.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6000   -9.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8917   -7.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5417   -7.3375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7125   -5.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5125   -6.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9167   -5.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0542   -8.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8667   -6.2042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3292   -7.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -10.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7292   -6.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8500   -8.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2542   -7.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7 10  1  0  0  0  0
  8 12  1  0  0  0  0
  9  3  2  0  0  0  0
 10 13  2  0  0  0  0
 11  3  1  0  0  0  0
 12 14  2  0  0  0  0
 13 19  1  0  0  0  0
 14 13  1  0  0  0  0
 15  7  1  0  0  0  0
 16  8  1  0  0  0  0
 17 11  1  0  0  0  0
 18  5  1  0  0  0  0
 19 17  1  0  0  0  0
 20 15  1  0  0  0  0
 21 16  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  2  0  0  0  0
M  END
>  <Mol_ID> (1,578)
1578

>  <Formula> (1,578)
C16H19NO3S

>  <MolWeight> (1,578)
305.39196

>  <COMPOUND_NAME> (1,578)
WAY-355166

>  <BAR_CODE_NO> (1,578)
2565413

$$$$
WAY-355299
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
    2.0375   -0.2792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2292   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1667   -1.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8625   -0.8917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4375   -1.4667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5917    0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417    0.5875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.9167   -1.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042   -2.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3375    1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3917    0.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292   -2.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8917    1.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9500    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6917    1.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2417    2.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1083   -2.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000   -3.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708   -3.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833   -2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0125   -3.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  2  0  0  0  0
  8  3  2  0  0  0  0
  9  5  1  0  0  0  0
 10  6  1  0  0  0  0
 11  6  2  0  0  0  0
 12  9  1  0  0  0  0
 13 10  2  0  0  0  0
 14 11  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 12  2  0  0  0  0
 18 12  1  0  0  0  0
 19 18  2  0  0  0  0
 20 17  1  0  0  0  0
 21 19  1  0  0  0  0
  4  5  1  0  0  0  0
 15 13  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (1,579)
1579

>  <Formula> (1,579)
C17H16N2OS

>  <MolWeight> (1,579)
296.38674

>  <COMPOUND_NAME> (1,579)
WAY-355299

>  <BAR_CODE_NO> (1,579)
2565631

$$$$
WAY-355485
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
    2.1667   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6667    0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1792    0.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6917    0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6625    1.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792   -1.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1542   -0.8042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833    0.7958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458    2.4958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208    1.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6375   -1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6917   -1.6792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0750   -2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1417    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042    1.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6042   -3.2542    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.0500   -0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0292   -2.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000   -0.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4875   -1.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  2  2  0  0  0  0
  5 15  1  0  0  0  0
  6 11  1  0  0  0  0
  7  1  1  0  0  0  0
  8  3  1  0  0  0  0
  9  5  1  0  0  0  0
 10  8  1  0  0  0  0
 11  7  1  0  0  0  0
 12  1  2  0  0  0  0
 13  6  2  0  0  0  0
 14  2  1  0  0  0  0
 15 14  2  0  0  0  0
 16 13  1  0  0  0  0
 17  6  1  0  0  0  0
 18 13  1  0  0  0  0
 19 17  2  0  0  0  0
 20 19  1  0  0  0  0
  5  3  2  0  0  0  0
 10  9  1  0  0  0  0
 20 18  2  0  0  0  0
M  END
>  <Mol_ID> (1,580)
1580

>  <Formula> (1,580)
C15H11ClO4

>  <MolWeight> (1,580)
290.69844

>  <COMPOUND_NAME> (1,580)
WAY-355485

>  <BAR_CODE_NO> (1,580)
2565771

$$$$
WAY-356541
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -1.4458    0.8958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9250    1.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9250    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7083    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7083    1.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8542   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6708   -0.5542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6708    2.3458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6167   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6208    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6167    0.1833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0917   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4250    1.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4250    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083    0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5042   -1.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5042   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1458    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1458    1.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3292   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3292   -1.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7417   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6 13  1  0  0  0  0
  7  6  1  0  0  0  0
  8  3  2  0  0  0  0
  9  2  2  0  0  0  0
 10  7  2  0  0  0  0
 11  6  2  0  0  0  0
 12  1  1  0  0  0  0
 13 17  1  0  0  0  0
 14 10  1  0  0  0  0
 15  5  1  0  0  0  0
 16  4  1  0  0  0  0
 17 12  1  0  0  0  0
 18 14  1  0  0  0  0
 19 14  2  0  0  0  0
 20 16  2  0  0  0  0
 21 15  2  0  0  0  0
 22 19  1  0  0  0  0
 23 18  2  0  0  0  0
 24 22  2  0  0  0  0
  5  4  2  0  0  0  0
 21 20  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,581)
1581

>  <Formula> (1,581)
C19H15NO4

>  <MolWeight> (1,581)
321.3267

>  <COMPOUND_NAME> (1,581)
WAY-356541

>  <BAR_CODE_NO> (1,581)
2567667

$$$$
WAY-356776
csChFnd80/06171916322D

 29 31  0  0  0  0  0  0  0  0999 V2000
    1.5500    0.9833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5500    1.8083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5500    0.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8375   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8375   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167   -1.4917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5958   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3750    0.9833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7250    0.9833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4500   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5500   -1.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4500   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7375   -1.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5958   -0.2542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0208   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3083   -1.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5500    3.4583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7375    0.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542    2.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8375    2.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1708   -1.4917    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.0208   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1708    0.1583    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.5500   -2.3167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8375    3.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542    3.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542   -2.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5  3  2  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  1  2  0  0  0  0
  9  1  2  0  0  0  0
 10 13  1  0  0  0  0
 11 18  1  0  0  0  0
 12 20  1  0  0  0  0
 13 16  2  0  0  0  0
 14  3  1  0  0  0  0
 15  7  2  0  0  0  0
 16 17  1  0  0  0  0
 17  7  1  0  0  0  0
 18 14  2  0  0  0  0
 19 27  1  0  0  0  0
 20 24  2  0  0  0  0
 21  2  1  0  0  0  0
 22  2  1  0  0  0  0
 23 10  1  0  0  0  0
 24 16  1  0  0  0  0
 25 12  1  0  0  0  0
 26 11  1  0  0  0  0
 27 22  1  0  0  0  0
 28 21  1  0  0  0  0
 29 26  1  0  0  0  0
 28 19  1  0  0  0  0
  4 11  2  0  0  0  0
 10 12  2  0  0  0  0
M  END
>  <Mol_ID> (1,582)
1582

>  <Formula> (1,582)
C19H20Cl2N2O5S

>  <MolWeight> (1,582)
459.3435

>  <COMPOUND_NAME> (1,582)
WAY-356776

>  <BAR_CODE_NO> (1,582)
2567823

$$$$
WAY-357941
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    7.6657    7.8085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1927    7.1729    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1927    8.4934    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4934    7.8085    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    6.4190    7.4094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4190    8.2569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4833    6.3895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4934    8.6363    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9561    5.7539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3212    7.7839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4737    6.9807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1284    5.9165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2222    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7095    7.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7095    8.6659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7499    8.5180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7301    7.0744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    7.4094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    8.2569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5777    8.4934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5579    7.0547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9768    7.7839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8  4  2  0  0  0  0
  9  7  1  0  0  0  0
 10  4  1  0  0  0  0
 11  4  1  0  0  0  0
 12  9  2  0  0  0  0
 13  9  1  0  0  0  0
 14  5  1  0  0  0  0
 15  6  1  0  0  0  0
 16 10  2  0  0  0  0
 17 10  1  0  0  0  0
 18 14  2  0  0  0  0
 19 15  2  0  0  0  0
 20 16  1  0  0  0  0
 21 17  2  0  0  0  0
 22 21  1  0  0  0  0
  5  6  2  0  0  0  0
 18 19  1  0  0  0  0
 22 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,583)
1583

>  <Formula> (1,583)
C15H13N2O4P

>  <MolWeight> (1,583)
316.248481

>  <COMPOUND_NAME> (1,583)
WAY-357941

>  <BAR_CODE_NO> (1,583)
2569065

$$$$
WAY-357998
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -1.8239   -0.4961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8239    0.4764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9757   -0.9823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6619   -0.9823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9757    0.9660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6619    0.9660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9757   -1.9443    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1308   -0.4961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5101   -0.4961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9757    1.9350    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1308    0.4764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5101    0.4764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1515   -2.4236    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2032    2.4522    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7968   -2.4236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1515   -1.3650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1584   -3.4685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7554    2.4453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2032    3.3212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2032    1.3971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2761   -3.2512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2761   -1.6029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2036    3.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3036    1.6246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2830   -3.2305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2830   -1.6133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1968    3.2626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3174    1.6246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7312   -2.4340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8036    2.5039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
 10 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 13 17  2  0  0  0  0
 14 18  1  0  0  0  0
 14 19  2  0  0  0  0
 14 20  2  0  0  0  0
 15 21  2  0  0  0  0
 15 22  1  0  0  0  0
 18 23  1  0  0  0  0
 18 24  2  0  0  0  0
 21 25  1  0  0  0  0
 22 26  2  0  0  0  0
 23 27  2  0  0  0  0
 24 28  1  0  0  0  0
 25 29  2  0  0  0  0
 27 30  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
 26 29  1  0  0  0  0
 28 30  2  0  0  0  0
M  END
>  <Mol_ID> (1,584)
1584

>  <Formula> (1,584)
C22H18N2O4S2

>  <MolWeight> (1,584)
438.51932

>  <COMPOUND_NAME> (1,584)
WAY-357998

>  <BAR_CODE_NO> (1,584)
2569144

$$$$
WAY-358033
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -0.5171   -1.0441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3863   -0.5096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5171   -2.1407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4482   -0.5441    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3380   -1.0441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3863    0.5628    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4482   -2.6752    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3863   -2.6752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3758   -1.0820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3380   -2.1407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2553   -0.4372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3174    1.0973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3758   -2.1407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2826   -0.5441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0311   -0.9855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3174    2.1697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2208    0.6455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2826   -2.6752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2102   -1.0441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2311    2.6938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3863    2.6593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2102   -2.1407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2311    3.7800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1622    2.1697    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.3622    3.7317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3174    4.3145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 17  2  0  0  0  0
 13 18  1  0  0  0  0
 14 19  2  0  0  0  0
 16 20  2  0  0  0  0
 16 21  1  0  0  0  0
 18 22  2  0  0  0  0
 20 23  1  0  0  0  0
 20 24  1  0  0  0  0
 21 25  2  0  0  0  0
 23 26  2  0  0  0  0
  8 10  2  0  0  0  0
  9 13  2  0  0  0  0
 19 22  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (1,585)
1585

>  <Formula> (1,585)
C20H14ClN3O2

>  <MolWeight> (1,585)
363.79706

>  <COMPOUND_NAME> (1,585)
WAY-358033

>  <BAR_CODE_NO> (1,585)
2569196

$$$$
WAY-358394
csChFnd80/06171916322D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -0.2208    0.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8958   -0.1542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958    0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000   -0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4000    0.3708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0500    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0458    1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9542    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6000    0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167    0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0500    0.8208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7000   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6000    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9542   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9542    1.9625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2500    1.2208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3500    1.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6000    2.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2500    1.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  3  2  0  0  0  0
  8 10  1  0  0  0  0
  9 14  1  0  0  0  0
 10 12  2  0  0  0  0
 11  6  2  0  0  0  0
 12 13  1  0  0  0  0
 13  6  1  0  0  0  0
 14 15  2  0  0  0  0
 15 12  1  0  0  0  0
 16  8  1  0  0  0  0
 17  9  1  0  0  0  0
 18  7  1  0  0  0  0
 19 16  1  0  0  0  0
 20 17  1  0  0  0  0
  7  5  1  0  0  0  0
  8  9  2  0  0  0  0
M  END
>  <Mol_ID> (1,586)
1586

>  <Formula> (1,586)
C14H16N2O4

>  <MolWeight> (1,586)
276.28784

>  <COMPOUND_NAME> (1,586)
WAY-358394

>  <BAR_CODE_NO> (1,586)
2569610

$$$$
WAY-358412
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -1.1708    0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8833    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3000    1.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458    1.3708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7625    0.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    1.3125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0958    0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833    1.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0833    1.9833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6458    2.3958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2125    1.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4500    0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4625   -0.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000    1.5208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458    2.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000   -0.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4631    2.5491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6654    3.2151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4000    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2500   -2.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542   -2.7167    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.9500   -1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2125   -0.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958   -1.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708    2.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1000    0.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4833    1.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5708    1.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  5  1  0  0  0  0
  8  4  1  0  0  0  0
  9  3  2  0  0  0  0
 10  9  1  0  0  0  0
 11  6  1  0  0  0  0
 12  2  1  0  0  0  0
 13  7  2  0  0  0  0
 14 12  3  0  0  0  0
 15  8  2  0  0  0  0
 16  4  1  0  0  0  0
 17 13  1  0  0  0  0
 18 16  1  0  0  0  0
 19 18  2  0  0  0  0
 20  6  1  0  0  0  0
 21 25  2  0  0  0  0
 22 21  1  0  0  0  0
 23 17  1  0  0  0  0
 24 17  2  0  0  0  0
 25 24  1  0  0  0  0
 26 23  2  0  0  0  0
 27 11  1  0  0  0  0
 28 20  1  0  0  0  0
 29 27  1  0  0  0  0
 30 28  1  0  0  0  0
  7  8  1  0  0  0  0
 10 11  2  0  0  0  0
 26 21  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (1,587)
1587

>  <Formula> (1,587)
C22H20ClN5OS

>  <MolWeight> (1,587)
437.9451

>  <COMPOUND_NAME> (1,587)
WAY-358412

>  <BAR_CODE_NO> (1,587)
2569619

$$$$
WAY-358425
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
    4.2042   -3.8667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.1000   -1.3542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1000   -2.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8000   -0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3667   -0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500   -3.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -4.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6500   -4.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -3.1542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3542   -2.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6542   -1.3667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5167   -1.3542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8000   -2.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6500   -3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500   -2.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6500   -2.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3542   -3.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8000   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3542   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000   -3.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -5.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500   -0.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2500   -0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6500    0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5000    0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2500   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500   -0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3 10  1  0  0  0  0
  4  2  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  1  1  0  0  0  0
  8  1  2  0  0  0  0
  9  1  2  0  0  0  0
 10 16  2  0  0  0  0
 11  5  1  0  0  0  0
 12  4  1  0  0  0  0
 13  3  2  0  0  0  0
 14  6  1  0  0  0  0
 15  6  2  0  0  0  0
 16 15  1  0  0  0  0
 17 14  2  0  0  0  0
 18  4  2  0  0  0  0
 19  5  2  0  0  0  0
 20  7  1  0  0  0  0
 21  7  1  0  0  0  0
 22 11  2  0  0  0  0
 23 12  2  0  0  0  0
 24 19  1  0  0  0  0
 25 18  1  0  0  0  0
 26 25  2  0  0  0  0
 27 24  2  0  0  0  0
 10 17  1  0  0  0  0
 27 22  1  0  0  0  0
 26 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,588)
1588

>  <Formula> (1,588)
C19H18N4O3S

>  <MolWeight> (1,588)
382.43622

>  <COMPOUND_NAME> (1,588)
WAY-358425

>  <BAR_CODE_NO> (1,588)
2569686

$$$$
WAY-358438
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -0.9834   -0.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9834    0.2312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3661   -0.5998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5420   -0.7205    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3661    0.4312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5420    0.5761    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0166   -0.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1661   -1.2205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1040   -0.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1661    1.0761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1040    0.2519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6787   -0.0688    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4787   -1.3688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6661   -0.7205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0339    1.6933    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6661    0.5761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9822    0.4933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6787   -1.9722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2213   -0.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2213    0.2312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6270    0.4933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6787    1.0519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2822   -2.1205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9787    1.0519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9442   -0.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6063    1.0519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6063   -0.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9270    0.4933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5787    0.4933    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  2  0  0  0  0
 10 15  3  0  0  0  0
 11 16  2  0  0  0  0
 12 17  1  0  0  0  0
 13 18  1  0  0  0  0
 14 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 17 22  2  0  0  0  0
 18 23  1  0  0  0  0
 21 24  2  0  0  0  0
 21 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  2  0  0  0  0
 26 28  2  0  0  0  0
 28 29  1  0  0  0  0
  5  7  2  0  0  0  0
  9 11  1  0  0  0  0
 19 20  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (1,589)
1589

>  <Formula> (1,589)
C22H18ClN5O

>  <MolWeight> (1,589)
403.86422

>  <COMPOUND_NAME> (1,589)
WAY-358438

>  <BAR_CODE_NO> (1,589)
2569633

$$$$
WAY-358475
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -1.6016   -0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3533   -0.6450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4361   -1.3036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9912    0.8308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3053    0.1205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0536   -1.8036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0085   -2.5140    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6637   -1.0726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2188    1.0446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5157   -0.0243    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1602    1.2033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7464   -2.7829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0740    0.0826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3501    0.8860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3361   -3.9381    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8708    2.0584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5432    0.6895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6708    3.0205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3260    1.6688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9536    2.8240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  8 13  2  0  0  0  0
 10 14  1  0  0  0  0
 12 15  2  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
  7 12  1  0  0  0  0
  9 13  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,590)
1590

>  <Formula> (1,590)
C16H12N2O2

>  <MolWeight> (1,590)
264.27868

>  <COMPOUND_NAME> (1,590)
WAY-358475

>  <BAR_CODE_NO> (1,590)
2569697

$$$$
WAY-358476
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -1.8014   -0.3362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7876   -0.6810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5876   -1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0083    0.6604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1635   -0.1431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5359   -1.7051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3359   -2.1224    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5876   -0.7396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0049    0.9707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8331   -0.3672    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4463    0.8086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3256   -2.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7945    0.2569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5779    0.3018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0704   -3.4638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5744    0.0362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3089    1.2983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3193    0.7190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0813    2.0293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0951    1.7293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7641    2.3397    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8951    1.9086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  8 13  2  0  0  0  0
 10 14  1  0  0  0  0
 12 15  2  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
  7 12  1  0  0  0  0
  9 13  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,591)
1591

>  <Formula> (1,591)
C17H14N2O3

>  <MolWeight> (1,591)
294.30466

>  <COMPOUND_NAME> (1,591)
WAY-358476

>  <BAR_CODE_NO> (1,591)
2569698

$$$$
WAY-358516
csChFnd80/06171916322D

 30 34  0  0  0  0  0  0  0  0999 V2000
   -0.1458   -0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833   -0.8292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6208   -0.4042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3500    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6000    0.8500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.6000   -0.8292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3500   -0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6208    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6000    1.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8792    1.3125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958    2.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833   -1.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167   -0.8500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    3.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833    3.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042    3.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708    1.7833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1875    1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0958   -2.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6708   -2.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917    3.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9792    2.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0958   -3.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6708   -3.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    3.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833   -3.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  8  2  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9  2  1  0  0  0  0
 10  6  1  0  0  0  0
 11  5  1  0  0  0  0
 12 10  1  0  0  0  0
 13 11  3  0  0  0  0
 14 10  2  0  0  0  0
 15  3  1  0  0  0  0
 16  8  1  0  0  0  0
 17 12  1  0  0  0  0
 18 14  1  0  0  0  0
 19 18  2  0  0  0  0
 20  9  1  0  0  0  0
 21 14  1  0  0  0  0
 22 12  2  0  0  0  0
 23 15  1  0  0  0  0
 24 15  2  0  0  0  0
 25 17  2  0  0  0  0
 26 22  1  0  0  0  0
 27 23  2  0  0  0  0
 28 24  1  0  0  0  0
 29 26  2  0  0  0  0
 30 28  2  0  0  0  0
  9  4  2  0  0  0  0
  6  5  1  0  0  0  0
 27 30  1  0  0  0  0
 19 17  1  0  0  0  0
 25 29  1  0  0  0  0
M  END
>  <Mol_ID> (1,592)
1592

>  <Formula> (1,592)
C24H18N4O2

>  <MolWeight> (1,592)
394.42532

>  <COMPOUND_NAME> (1,592)
WAY-358516

>  <BAR_CODE_NO> (1,592)
2569731

$$$$
WAY-358576
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
    1.4542    0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792    1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792    0.3125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542    0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167    0.8500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208    0.1958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208    1.5125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4375    1.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1000    1.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5375    1.9042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1167    1.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4167    0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792    2.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6833    0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6833    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0542    0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167    1.9875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7000    1.9667    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.9375   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7792   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2625    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2625    1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8208    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8208    0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  4  2  0  0  0  0
  8  5  2  0  0  0  0
  9  6  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12  2  1  0  0  0  0
 13 11  1  0  0  0  0
 14 10  2  0  0  0  0
 15 12  3  0  0  0  0
 16  7  1  0  0  0  0
 17  8  1  0  0  0  0
 18 14  1  0  0  0  0
 19  9  2  0  0  0  0
 20  3  1  0  0  0  0
 21 13  1  0  0  0  0
 22 20  1  0  0  0  0
 23 26  1  0  0  0  0
 24 16  1  0  0  0  0
 25 17  1  0  0  0  0
 26 22  1  0  0  0  0
 27 25  2  0  0  0  0
 28 24  2  0  0  0  0
  5  4  1  0  0  0  0
 17 16  2  0  0  0  0
 13 18  2  0  0  0  0
 28 27  1  0  0  0  0
M  END
>  <Mol_ID> (1,593)
1593

>  <Formula> (1,593)
C19H14BrN5O3

>  <MolWeight> (1,593)
440.25016

>  <COMPOUND_NAME> (1,593)
WAY-358576

>  <BAR_CODE_NO> (1,593)
2569761

$$$$
WAY-358597
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
    1.4542    0.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792    1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792    0.2958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542    1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167    0.8333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208    0.1708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208    1.4958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4375    1.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1000    1.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5375    1.8958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792    1.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1167    1.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4167    0.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792    2.6333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6833    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6833    1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0542    0.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792   -0.3500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.1167    1.9708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7000    1.9583    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.2625    0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2625    1.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8375   -0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9375   -0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8208    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8208    1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  4  2  0  0  0  0
  8  5  2  0  0  0  0
  9  6  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12  2  1  0  0  0  0
 13 11  1  0  0  0  0
 14 10  2  0  0  0  0
 15 12  3  0  0  0  0
 16  7  1  0  0  0  0
 17  8  1  0  0  0  0
 18 14  1  0  0  0  0
 19  3  1  0  0  0  0
 20  9  2  0  0  0  0
 21 13  1  0  0  0  0
 22 16  1  0  0  0  0
 23 17  1  0  0  0  0
 24 19  1  0  0  0  0
 25 19  1  0  0  0  0
 26 24  1  0  0  0  0
 27 22  2  0  0  0  0
 28 23  2  0  0  0  0
  5  4  1  0  0  0  0
 17 16  2  0  0  0  0
 13 18  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (1,594)
1594

>  <Formula> (1,594)
C20H16BrN5O2

>  <MolWeight> (1,594)
438.27734

>  <COMPOUND_NAME> (1,594)
WAY-358597

>  <BAR_CODE_NO> (1,594)
2569765

$$$$
WAY-358604
csChFnd80/06171916322D

 30 32  0  0  0  0  0  0  0  0999 V2000
   -1.3458    0.7333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.6000   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7167   -1.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0500    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9000    0.2708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9000   -0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1833    1.2333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2000    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3500    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8208   -0.0875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8625    1.5958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0500    1.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0542   -1.5500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.1000    0.1500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.4167   -0.2000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0208    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7167   -2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8625    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833   -0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0500   -1.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2000   -0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3500   -1.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7083    0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8833    2.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9000   -2.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0500   -2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7458    2.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5458    1.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5625    2.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  6  1  0  0  0  0
  4  9  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  1  1  0  0  0  0
  8  1  1  0  0  0  0
  9 10  1  0  0  0  0
 10  7  2  0  0  0  0
 11  1  2  0  0  0  0
 12  1  2  0  0  0  0
 13  4  2  0  0  0  0
 14  2  1  0  0  0  0
 15  2  1  0  0  0  0
 16  2  1  0  0  0  0
 17  8  1  0  0  0  0
 18  3  2  0  0  0  0
 19 17  1  0  0  0  0
 20  7  1  0  0  0  0
 21  6  2  0  0  0  0
 22 23  1  0  0  0  0
 23 20  2  0  0  0  0
 24 19  2  0  0  0  0
 25 19  1  0  0  0  0
 26 27  2  0  0  0  0
 27 21  1  0  0  0  0
 28 25  2  0  0  0  0
 29 24  1  0  0  0  0
 30 28  1  0  0  0  0
  9 22  2  0  0  0  0
 29 30  2  0  0  0  0
 26 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,595)
1595

>  <Formula> (1,595)
C21H17F3N2O3S

>  <MolWeight> (1,595)
434.4314896

>  <COMPOUND_NAME> (1,595)
WAY-358604

>  <BAR_CODE_NO> (1,595)
2569803

$$$$
WAY-358660
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
    3.8792    0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1542    1.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9000    0.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1792   -0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5542    3.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1292    3.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8500    3.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4542   -0.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4042    3.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1500    2.2208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5500    4.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2792    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417    0.9708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500    5.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4292    2.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1042    4.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4792   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7000    3.8583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8292    5.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6000    1.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6042   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7500   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000    3.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9792    4.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3042    1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3167    0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  6  2  0  0  0  0
  8  4  1  0  0  0  0
  9 15  1  0  0  0  0
 10  2  1  0  0  0  0
 11 19  1  0  0  0  0
 12  5  1  0  0  0  0
 13  2  2  0  0  0  0
 14 11  1  0  0  0  0
 15 10  1  0  0  0  0
 16  6  1  0  0  0  0
 17  8  2  0  0  0  0
 18  9  2  0  0  0  0
 19 16  2  0  0  0  0
 20  1  2  0  0  0  0
 21  3  2  0  0  0  0
 22  8  1  0  0  0  0
 23 12  1  0  0  0  0
 24 14  1  0  0  0  0
 25 20  1  0  0  0  0
 26 25  2  0  0  0  0
 26 21  1  0  0  0  0
  5 11  2  0  0  0  0
 24 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,596)
1596

>  <Formula> (1,596)
C19H17NO6

>  <MolWeight> (1,596)
355.34138

>  <COMPOUND_NAME> (1,596)
WAY-358660

>  <BAR_CODE_NO> (1,596)
2569851

$$$$
WAY-358666
csChFnd80/06171916322D

 29 31  0  0  0  0  0  0  0  0999 V2000
    4.7167   -2.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1000   -0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1500   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9000   -2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5792   -3.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6000   -1.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1792   -2.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500   -0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1792   -0.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9500   -1.6542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000   -3.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1667   -3.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -0.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7500   -0.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8000   -3.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3542   -0.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000   -1.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6000   -0.2542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8042   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1167   -3.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -3.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500   -0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4292   -0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5667   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3792   -4.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7042   -3.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9000   -3.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  5  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  7  2  0  0  0  0
  9  2  1  0  0  0  0
 10 17  1  0  0  0  0
 11  4  1  0  0  0  0
 12 20  1  0  0  0  0
 13  6  1  0  0  0  0
 14  2  2  0  0  0  0
 15  4  2  0  0  0  0
 16 12  1  0  0  0  0
 17 11  1  0  0  0  0
 18  7  1  0  0  0  0
 19 10  2  0  0  0  0
 20 18  2  0  0  0  0
 21  1  2  0  0  0  0
 22  5  2  0  0  0  0
 23  9  1  0  0  0  0
 24  9  1  0  0  0  0
 25  9  1  0  0  0  0
 26 13  1  0  0  0  0
 27 16  1  0  0  0  0
 28 21  1  0  0  0  0
 29 28  2  0  0  0  0
 29 22  1  0  0  0  0
  6 12  2  0  0  0  0
 27 26  1  0  0  0  0
M  END
>  <Mol_ID> (1,597)
1597

>  <Formula> (1,597)
C22H23NO6

>  <MolWeight> (1,597)
397.42112

>  <COMPOUND_NAME> (1,597)
WAY-358666

>  <BAR_CODE_NO> (1,597)
2569848

$$$$
WAY-358744
csChFnd80/06171916322D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -1.4000    1.1708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833    1.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0500    1.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500    1.8625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6208    1.3333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833    0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000    1.8833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2333    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167    0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458    0.5958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6125    1.5208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3208    0.7833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208    0.0333    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.2375    1.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4375    0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7708    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542    0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667    0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  2  0  0  0  0
  5  6  1  0  0  0  0
  6  3  1  0  0  0  0
  7  5  1  0  0  0  0
  8  3  1  0  0  0  0
  9  2  1  0  0  0  0
 10  7  2  0  0  0  0
 11  5  2  0  0  0  0
 12  9  2  0  0  0  0
 13  9  1  0  0  0  0
 14 10  1  0  0  0  0
 15  7  1  0  0  0  0
 16 10  1  0  0  0  0
 17 13  1  0  0  0  0
 18 15  2  0  0  0  0
 19 18  1  0  0  0  0
  4  8  1  0  0  0  0
 19 16  2  0  0  0  0
M  END
>  <Mol_ID> (1,598)
1598

>  <Formula> (1,598)
C11H9ClN4O3

>  <MolWeight> (1,598)
280.66716

>  <COMPOUND_NAME> (1,598)
WAY-358744

>  <BAR_CODE_NO> (1,598)
2569937

$$$$
WAY-358745
csChFnd80/06171916322D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -1.3833    0.4708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7625    0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6458    1.1708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833    0.6708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833    1.1958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4500    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2208    0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -0.0875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5833    0.8333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167   -0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3000    0.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3000    0.0958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667   -0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542   -0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7375    0.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042   -0.1542    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.7458   -0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  3  1  0  0  0  0
  7  5  1  0  0  0  0
  8  2  1  0  0  0  0
  9  7  1  0  0  0  0
 10  7  2  0  0  0  0
 11  8  2  0  0  0  0
 12  9  2  0  0  0  0
 13  9  1  0  0  0  0
 14  8  1  0  0  0  0
 15 17  1  0  0  0  0
 16 12  1  0  0  0  0
 17 13  2  0  0  0  0
 18 15  1  0  0  0  0
 19 14  1  0  0  0  0
  4  6  1  0  0  0  0
 16 15  2  0  0  0  0
M  END
>  <Mol_ID> (1,599)
1599

>  <Formula> (1,599)
C11H9ClN4O3

>  <MolWeight> (1,599)
280.66716

>  <COMPOUND_NAME> (1,599)
WAY-358745

>  <BAR_CODE_NO> (1,599)
2569932

$$$$
WAY-358819
csChFnd80/06171916322D

 30 32  0  0  0  0  0  0  0  0999 V2000
    2.0167    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    2.1125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542    2.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4542    2.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4292    2.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    2.7708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792    2.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500    1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    1.9125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3000    3.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667    3.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958    2.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0125    2.5958    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5167    3.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6000    3.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2333    1.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042    4.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3500    4.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333    2.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708    1.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9500    2.7958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958    1.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1792    1.7000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.7792    2.6125    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.9500    1.8625    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.5500    4.6500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.6292    4.6167    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.8708    1.2708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0333    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5500    0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  9  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  3  2  0  0  0  0
  9  7  1  0  0  0  0
 10  5  1  0  0  0  0
 11  6  1  0  0  0  0
 12  8  1  0  0  0  0
 13  3  1  0  0  0  0
 14 11  1  0  0  0  0
 15 10  1  0  0  0  0
 16 12  1  0  0  0  0
 17 14  2  0  0  0  0
 18 15  2  0  0  0  0
 19 13  1  0  0  0  0
 20 16  1  0  0  0  0
 21  7  2  0  0  0  0
 22 20  2  0  0  0  0
 23  4  1  0  0  0  0
 24  4  1  0  0  0  0
 25  4  1  0  0  0  0
 26 17  1  0  0  0  0
 27 18  1  0  0  0  0
 28 20  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 10 11  2  0  0  0  0
 18 17  1  0  0  0  0
 12 19  2  0  0  0  0
M  END
>  <Mol_ID> (1,600)
1600

>  <Formula> (1,600)
C16H12Cl2F3N3O5S

>  <MolWeight> (1,600)
486.2497896

>  <COMPOUND_NAME> (1,600)
WAY-358819

>  <BAR_CODE_NO> (1,600)
2570012

$$$$
WAY-358823
csChFnd80/06171916322D

 25 29  0  0  0  0  0  0  0  0999 V2000
    0.0176   -1.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3962   -1.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7383   -0.9272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0176   -2.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3962   -2.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0996   -0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7383   -0.0996    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4487   -1.3272    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6824   -2.5651    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7280   -2.5651    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0962   -2.5651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7996   -1.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0280    0.3107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4487    0.3107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4418   -2.1582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7962   -2.1582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0280    1.1349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4487    1.1349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7383    1.5487    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7383    2.3728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4556    2.7866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0245    2.7866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4556    3.6038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0280    3.6107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7418    4.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  2  0  0  0  0
 11 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  2  0  0  0  0
  5  9  1  0  0  0  0
 10 15  1  0  0  0  0
 12 16  1  0  0  0  0
 18 19  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,601)
1601

>  <Formula> (1,601)
C20H22N4S

>  <MolWeight> (1,601)
350.48048

>  <COMPOUND_NAME> (1,601)
WAY-358823

>  <BAR_CODE_NO> (1,601)
2570029

$$$$
WAY-358830
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -1.5500    0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8000    1.1458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208   -0.0167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6708    1.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0500    0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2625   -0.2042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9708    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2208    1.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542    0.2625    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.1958    1.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292   -0.5875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8833    2.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0833    1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2958    3.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4333    3.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6333    2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8125    3.8958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9042   -0.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4375    0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4708    4.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1542    0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  4  1  0  0  0  0
  9  5  1  0  0  0  0
 10  5  2  0  0  0  0
 11  9  1  0  0  0  0
 12  8  2  0  0  0  0
 13  8  1  0  0  0  0
 14 16  1  0  0  0  0
 15 12  1  0  0  0  0
 16 13  2  0  0  0  0
 17 14  1  0  0  0  0
 18 11  1  0  0  0  0
 19  9  1  0  0  0  0
 20 17  1  0  0  0  0
 21 19  1  0  0  0  0
  4  7  2  0  0  0  0
 21 18  1  0  0  0  0
 14 15  2  0  0  0  0
M  END
>  <Mol_ID> (1,602)
1602

>  <Formula> (1,602)
C15H16N2O3S

>  <MolWeight> (1,602)
304.36414

>  <COMPOUND_NAME> (1,602)
WAY-358830

>  <BAR_CODE_NO> (1,602)
2570022

$$$$
WAY-358847
csChFnd80/06171916322D

 21 24  0  0  0  0  0  0  0  0999 V2000
    2.1875   -2.0417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1875   -2.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4042   -3.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4042   -1.7917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9000   -3.2792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167   -2.4542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6167   -2.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6167   -2.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9000   -1.6292    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.3292   -3.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3792   -4.1042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.9000   -0.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1000   -2.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1750   -4.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6250   -3.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1792   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6125   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9000    0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6125    0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1792    0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9000    1.6750    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  2  0  0  0  0
  7  9  1  0  0  0  0
  8  7  2  0  0  0  0
  9  1  1  0  0  0  0
 10  8  1  0  0  0  0
 11 10  1  0  0  0  0
 12  9  1  0  0  0  0
 13 10  2  0  0  0  0
 14 11  1  0  0  0  0
 15 13  1  0  0  0  0
 16 12  1  0  0  0  0
 17 12  2  0  0  0  0
 18 19  2  0  0  0  0
 19 17  1  0  0  0  0
 20 16  2  0  0  0  0
 21 18  1  0  0  0  0
  6  3  1  0  0  0  0
  5  8  1  0  0  0  0
 20 18  1  0  0  0  0
 14 15  2  0  0  0  0
M  END
>  <Mol_ID> (1,603)
1603

>  <Formula> (1,603)
C14H10ClN5S

>  <MolWeight> (1,603)
315.7807

>  <COMPOUND_NAME> (1,603)
WAY-358847

>  <BAR_CODE_NO> (1,603)
2570042

$$$$
WAY-358851
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    2.3792    0.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2000    1.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    1.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167    0.6000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    2.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2167    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542   -0.8167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.7875   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6375    2.2083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9375   -0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6125    1.4458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1708    2.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4542    0.1125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8875    0.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4000   -0.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2542   -0.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7500    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9000   -1.3542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5333    1.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6458    2.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9833    2.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5333    2.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  2  0  0  0  0
  7  1  1  0  0  0  0
  8  2  2  0  0  0  0
  9 11  1  0  0  0  0
 10  4  2  0  0  0  0
 11 17  1  0  0  0  0
 12 13  1  0  0  0  0
 13  6  1  0  0  0  0
 14  9  2  0  0  0  0
 15  7  2  0  0  0  0
 16  7  1  0  0  0  0
 17 16  2  0  0  0  0
 18 15  1  0  0  0  0
 19  9  1  0  0  0  0
 20 12  2  0  0  0  0
 21 13  2  0  0  0  0
 22 23  2  0  0  0  0
 23 21  1  0  0  0  0
  3  5  1  0  0  0  0
 11 18  2  0  0  0  0
 22 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,604)
1604

>  <Formula> (1,604)
C16H10N2O3S2

>  <MolWeight> (1,604)
342.3922

>  <COMPOUND_NAME> (1,604)
WAY-358851

>  <BAR_CODE_NO> (1,604)
2570056

$$$$
WAY-358895
csChFnd80/06171916322D

 18 20  0  0  0  0  0  0  0  0999 V2000
    2.8250   -0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8250   -0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6042   -1.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0917   -0.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6042    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1125    0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9000   -1.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1125    1.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7125   -2.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3750   -2.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1125   -1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9167   -0.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   -2.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6625   -3.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4750   -3.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3917   -0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3917   -0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7625   -4.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  6  2  0  0  0  0
  9  7  1  0  0  0  0
 10  7  2  0  0  0  0
 11  2  1  0  0  0  0
 12  4  1  0  0  0  0
 13  9  2  0  0  0  0
 14 10  1  0  0  0  0
 15 14  2  0  0  0  0
 16  6  1  0  0  0  0
 17 16  1  0  0  0  0
 18 15  1  0  0  0  0
  4  3  1  0  0  0  0
 11 17  1  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <Mol_ID> (1,605)
1605

>  <Formula> (1,605)
C16H17NO

>  <MolWeight> (1,605)
239.31228

>  <COMPOUND_NAME> (1,605)
WAY-358895

>  <BAR_CODE_NO> (1,605)
2570093

$$$$
WAY-358910
csChFnd80/06171916322D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -2.7895    1.4377    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2412    1.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2619    2.9343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0274    0.5619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7653    2.8895    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3343    0.1688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9964    3.7929    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7791    2.9343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2550    1.5067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2278    0.3067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1347   -0.9623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5243   -2.3657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6968   -0.7795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4278   -3.6347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6036   -2.0864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9450   -3.4519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8899   -4.6899    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
  5  7  1  0  0  0  0
  8  9  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <Mol_ID> (1,606)
1606

>  <Formula> (1,606)
C12H12BrN3O

>  <MolWeight> (1,606)
294.14718

>  <COMPOUND_NAME> (1,606)
WAY-358910

>  <BAR_CODE_NO> (1,606)
2570124

$$$$
WAY-358928
csChFnd80/06171916322D

 22 25  0  0  0  0  0  0  0  0999 V2000
    2.0964   -0.2685    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6205   -1.0926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7412    0.6108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0205   -0.4685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6929   -1.0926    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2584   -1.7926    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7964    0.7591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3412    1.3591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1205   -1.3926    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1964   -0.2685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4584    1.6315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9964    2.2315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7554   -0.2892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0584    2.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2933   -1.0547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2933    0.4729    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1933   -0.7685    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1933    0.1936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0071   -1.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0071    0.6591    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8278   -0.7685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8278    0.1936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  2  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
  6  9  1  0  0  0  0
 12 14  1  0  0  0  0
 17 18  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,607)
1607

>  <Formula> (1,607)
C15H12N6S

>  <MolWeight> (1,607)
308.36098

>  <COMPOUND_NAME> (1,607)
WAY-358928

>  <BAR_CODE_NO> (1,607)
2570136

$$$$
WAY-358939
csChFnd80/06171916322D

 28 30  0  0  0  0  0  0  0  0999 V2000
   -0.3125   -0.5167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4708    1.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167   -1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3125   -1.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4708    2.2083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3125    0.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8958    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4500   -1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8958    0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792   -0.5167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958   -0.5167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667   -1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0625    1.1833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667   -1.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6792   -0.6500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.6000   -0.8792    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542   -1.8000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0625    2.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833    2.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3125    1.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4292   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8500   -2.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667   -2.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833    3.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0625    3.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4708    3.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  9  1  0  0  0  0
  8 14  2  0  0  0  0
  9  6  2  0  0  0  0
 10  1  2  0  0  0  0
 11  1  2  0  0  0  0
 12  4  1  0  0  0  0
 13  2  2  0  0  0  0
 14 12  1  0  0  0  0
 15  3  1  0  0  0  0
 16  3  1  0  0  0  0
 17  3  1  0  0  0  0
 18  5  1  0  0  0  0
 19  5  1  0  0  0  0
 20 23  1  0  0  0  0
 21  6  1  0  0  0  0
 22 24  2  0  0  0  0
 23 21  2  0  0  0  0
 24 25  1  0  0  0  0
 25 12  2  0  0  0  0
 26 19  1  0  0  0  0
 27 18  1  0  0  0  0
 28 26  1  0  0  0  0
 20  7  2  0  0  0  0
  8 22  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (1,608)
1608

>  <Formula> (1,608)
C19H19F3N2O3S

>  <MolWeight> (1,608)
412.4259696

>  <COMPOUND_NAME> (1,608)
WAY-358939

>  <BAR_CODE_NO> (1,608)
2570152

$$$$
WAY-359274-A
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
    4.2250   -1.7292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9417   -2.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500   -2.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7792   -0.9167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4042   -5.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6667   -3.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6875   -5.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5125   -2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2250   -0.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6542   -1.7250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3917   -4.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6750   -4.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9667   -5.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -0.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7917   -1.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9625   -4.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1167   -5.8292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625    0.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6917   -6.6750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1292   -6.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7792    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3417    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9792   -7.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292    1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7667    1.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0417    1.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4 15  1  0  0  0  0
  5 11  2  0  0  0  0
  6  3  2  0  0  0  0
  7 14  2  0  0  0  0
  8  1  1  0  0  0  0
  9  1  1  0  0  0  0
 10  2  2  0  0  0  0
 11 12  1  0  0  0  0
 12  6  1  0  0  0  0
 13  4  1  0  0  0  0
 14 17  1  0  0  0  0
 15  9  1  0  0  0  0
 16  8  1  0  0  0  0
 17 12  2  0  0  0  0
 18  5  1  0  0  0  0
 19 13  1  0  0  0  0
 20  7  1  0  0  0  0
 21 18  1  0  0  0  0
 22 19  2  0  0  0  0
 23 19  1  0  0  0  0
 24 20  1  0  0  0  0
 25 23  2  0  0  0  0
 26 22  1  0  0  0  0
 27 25  1  0  0  0  0
 16  4  1  0  0  0  0
  7  5  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <Mol_ID> (1,609)
1609

>  <Formula> (1,609)
C22H26N2O3

>  <MolWeight> (1,609)
366.45344

>  <COMPOUND_NAME> (1,609)
WAY-359274-A

>  <BAR_CODE_NO> (1,609)
2570516

$$$$
WAY-359279
csChFnd80/06171916322D

 23 24  0  0  0  0  0  0  0  0999 V2000
    1.6042   -2.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1542   -4.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4292   -2.1417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3292   -4.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8417   -2.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6417   -4.9542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.9167   -3.5667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750   -2.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6417   -3.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4250   -4.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1917   -2.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1917   -1.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0875   -3.5667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4167   -3.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4292   -3.5750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9167   -4.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458   -2.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667   -1.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667   -2.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6167   -3.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6167   -0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2000   -4.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  1  0  0  0  0
  4  7  2  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7 13  1  0  0  0  0
  8  5  1  0  0  0  0
  9  2  2  0  0  0  0
 10  6  1  0  0  0  0
 11  1  2  0  0  0  0
 12  1  1  0  0  0  0
 13  8  1  0  0  0  0
 14  9  1  0  0  0  0
 15  5  2  0  0  0  0
 16  4  1  0  0  0  0
 17 18  1  0  0  0  0
 18 12  2  0  0  0  0
 19 11  1  0  0  0  0
 20 11  1  0  0  0  0
 21 12  1  0  0  0  0
 22 21  1  0  0  0  0
 23 20  1  0  0  0  0
 17 19  2  0  0  0  0
 10 14  2  0  0  0  0
M  END
>  <Mol_ID> (1,610)
1610

>  <Formula> (1,610)
C18H22N2O2S

>  <MolWeight> (1,610)
330.44448

>  <COMPOUND_NAME> (1,610)
WAY-359279

>  <BAR_CODE_NO> (1,610)
2570521

$$$$
WAY-358993
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
    1.2042   -2.3542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0667   -2.3542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0667   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292    0.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0667    0.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2625   -0.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9417    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8417   -3.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8042    0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6250    0.7958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9417   -0.5917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8042    1.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6792    0.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5417    1.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5417    0.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6667    2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542    0.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4125    2.4333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6125   -1.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5625   -4.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8875   -2.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2792    1.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4958   -0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6542   -3.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3292   -4.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3792   -4.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  2  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  6  2  0  0  0  0
  8  4  1  0  0  0  0
  9  7  1  0  0  0  0
 10  2  1  0  0  0  0
 11  9  1  0  0  0  0
 12 19  1  0  0  0  0
 13  9  2  0  0  0  0
 14 11  2  0  0  0  0
 15 11  1  0  0  0  0
 16 17  1  0  0  0  0
 17 15  2  0  0  0  0
 18 14  1  0  0  0  0
 19  8  2  0  0  0  0
 20 16  1  0  0  0  0
 21  8  1  0  0  0  0
 22 26  1  0  0  0  0
 23 10  1  0  0  0  0
 24 10  2  0  0  0  0
 25 20  1  0  0  0  0
 26 21  2  0  0  0  0
 27 24  1  0  0  0  0
 28 23  2  0  0  0  0
 29 27  2  0  0  0  0
  3  5  2  0  0  0  0
 12 22  2  0  0  0  0
 29 28  1  0  0  0  0
 18 16  2  0  0  0  0
M  END
>  <Mol_ID> (1,611)
1611

>  <Formula> (1,611)
C24H19N3O2

>  <MolWeight> (1,611)
381.42656

>  <COMPOUND_NAME> (1,611)
WAY-358993

>  <BAR_CODE_NO> (1,611)
2570198

$$$$
WAY-358994
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
    3.8000    1.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3000    2.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7542    1.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6750    3.0208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7875   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7875    1.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667   -0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7417    2.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667   -1.9042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8042   -1.9042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8042   -0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2500   -4.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4750   -3.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7417   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3042    2.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1167    0.4708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2125   -0.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7292    0.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7000   -2.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833    0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6417   -2.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833   -0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333    1.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0583    1.4583    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.9000    3.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7542    3.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8542    1.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8542    1.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7625    3.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3042    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  8  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  7  5  1  0  0  0  0
  8  1  1  0  0  0  0
  9  7  2  0  0  0  0
 10 11  1  0  0  0  0
 11  5  2  0  0  0  0
 12 13  3  0  0  0  0
 13 19  1  0  0  0  0
 14  7  1  0  0  0  0
 15  2  1  0  0  0  0
 16  3  2  0  0  0  0
 17 14  1  0  0  0  0
 18 14  2  0  0  0  0
 19 21  1  0  0  0  0
 20 23  2  0  0  0  0
 21 10  1  0  0  0  0
 22 17  2  0  0  0  0
 23 18  1  0  0  0  0
 24 20  1  0  0  0  0
 25  8  1  0  0  0  0
 26 15  2  0  0  0  0
 27 15  1  0  0  0  0
 28 27  2  0  0  0  0
 29 26  1  0  0  0  0
 30 28  1  0  0  0  0
  4  2  1  0  0  0  0
 10  9  1  0  0  0  0
 20 22  1  0  0  0  0
 29 30  2  0  0  0  0
M  END
>  <Mol_ID> (1,612)
1612

>  <Formula> (1,612)
C23H18BrN5O

>  <MolWeight> (1,612)
460.32592

>  <COMPOUND_NAME> (1,612)
WAY-358994

>  <BAR_CODE_NO> (1,612)
2570204

$$$$
WAY-359029
csChFnd80/06171916322D

 19 20  0  0  0  0  0  0  0  0999 V2000
    1.1042   -2.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3917   -2.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208   -2.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7500   -2.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3917   -1.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5667   -3.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5500   -2.6542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.3917   -3.5625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0458   -2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0458   -1.0875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7500   -0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0625   -3.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5500   -1.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9042   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7625   -2.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7583   -1.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7542   -4.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  5  2  0  0  0  0
  8  4  2  0  0  0  0
  9  4  1  0  0  0  0
 10  2  1  0  0  0  0
 11  3  1  0  0  0  0
 12  6  1  0  0  0  0
 13  5  1  0  0  0  0
 14  9  1  0  0  0  0
 15 13  1  0  0  0  0
 16  9  1  0  0  0  0
 17 11  1  0  0  0  0
 18 12  1  0  0  0  0
 19 14  1  0  0  0  0
  3  6  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,613)
1613

>  <Formula> (1,613)
C14H18O5

>  <MolWeight> (1,613)
266.28972

>  <COMPOUND_NAME> (1,613)
WAY-359029

>  <BAR_CODE_NO> (1,613)
2570244

$$$$
WAY-359033
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -0.4825   -1.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9756   -1.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3037   -0.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1520   -2.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0618   -0.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3100   -3.0586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8486   -0.0207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4825    1.2897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9721   -3.8310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6796   -3.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5480   -0.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6514    1.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6106    1.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6244   -1.3586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6100    0.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9514   -2.3690    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.7204    2.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1486    1.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8486    2.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1900   -1.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2342    1.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9520    0.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9037    2.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6106    3.9759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1279    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
 11 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 13 18  2  0  0  0  0
 13 19  1  0  0  0  0
 14 20  1  0  0  0  0
 15 21  1  0  0  0  0
 18 22  1  0  0  0  0
 18 23  1  0  0  0  0
 19 24  2  0  0  0  0
 23 25  2  0  0  0  0
  6  9  1  0  0  0  0
 17 21  2  0  0  0  0
 20 22  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,614)
1614

>  <Formula> (1,614)
C20H17ClN2O2

>  <MolWeight> (1,614)
352.81418

>  <COMPOUND_NAME> (1,614)
WAY-359033

>  <BAR_CODE_NO> (1,614)
2570251

$$$$
WAY-359034
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.4907   -0.4707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6907   -1.5362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2838    0.3018    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6024   -0.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2472   -2.0741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7148   -1.9810    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0562    1.0673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0562   -0.4948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5079    1.0914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0541   -1.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6079   -1.3465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1286    0.7535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7872    2.1466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0955   -1.6569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9010    1.5362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5907    2.8983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9404   -0.9258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6528    2.6259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7024    0.1466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9748   -1.2672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4955    0.8535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7886   -0.5258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5679    0.5397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  3  9  2  0  0  0  0
  4 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  2  0  0  0  0
 10 14  1  0  0  0  0
 12 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  2  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
  5 10  1  0  0  0  0
 16 18  2  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,615)
1615

>  <Formula> (1,615)
C17H16N2O3S

>  <MolWeight> (1,615)
328.38554

>  <COMPOUND_NAME> (1,615)
WAY-359034

>  <BAR_CODE_NO> (1,615)
2570252

$$$$
WAY-359098
csChFnd80/06171916322D

 28 30  0  0  0  0  0  0  0  0999 V2000
   -1.7708   -1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7708   -2.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333   -1.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6500   -0.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9125   -0.8542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.6500   -2.8792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5333   -1.3792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333   -2.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9125   -2.8792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8875   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5333   -2.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9125    0.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7958    0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7500   -1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7958    1.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6500    0.1625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042    0.1458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4333   -2.8542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333    0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9125    2.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333    1.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8875   -2.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6708    2.2083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8958    3.1833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6292   -0.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6500    3.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4875   -1.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6500    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  5  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8  3  2  0  0  0  0
  9  2  1  0  0  0  0
 10  3  1  0  0  0  0
 11  7  1  0  0  0  0
 12  5  1  0  0  0  0
 13 12  1  0  0  0  0
 14 10  1  0  0  0  0
 15 13  2  0  0  0  0
 16  4  2  0  0  0  0
 17 10  2  0  0  0  0
 18 11  2  0  0  0  0
 19 12  2  0  0  0  0
 20 21  2  0  0  0  0
 21 19  1  0  0  0  0
 22  8  1  0  0  0  0
 23 15  1  0  0  0  0
 24 20  1  0  0  0  0
 25 14  1  0  0  0  0
 26 23  1  0  0  0  0
 27 25  1  0  0  0  0
 28 25  1  0  0  0  0
  8  9  1  0  0  0  0
  6 11  1  0  0  0  0
 20 15  1  0  0  0  0
M  END
>  <Mol_ID> (1,616)
1616

>  <Formula> (1,616)
C19H21N3O6

>  <MolWeight> (1,616)
387.38654

>  <COMPOUND_NAME> (1,616)
WAY-359098

>  <BAR_CODE_NO> (1,616)
2570320

$$$$
WAY-359175
csChFnd80/06171916322D

 33 36  0  0  0  0  0  0  0  0999 V2000
    6.0875    0.5958    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.3667   -3.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3667   -3.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3667   -5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0875   -5.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0875   -4.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6542   -4.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6542   -5.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0792   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0792   -2.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0792    1.4208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2542    0.5958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9042    0.5958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8000   -5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6542   -2.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5125   -6.8417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8000   -0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3667   -0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0792   -1.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8000   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3667   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8000   -6.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9417   -3.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9417   -5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7917    1.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3667    1.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5125   -5.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2292   -6.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2292   -5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3667    2.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5125    1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2292   -4.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2292   -5.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3 10  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  6  2  2  0  0  0  0
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  1  1  0  0  0  0
 10 19  1  0  0  0  0
 11  1  1  0  0  0  0
 12  1  2  0  0  0  0
 13  1  2  0  0  0  0
 14  5  1  0  0  0  0
 15  3  2  0  0  0  0
 16 22  1  0  0  0  0
 17  9  2  0  0  0  0
 18  9  1  0  0  0  0
 19 21  1  0  0  0  0
 20 17  1  0  0  0  0
 21 18  2  0  0  0  0
 22 14  2  0  0  0  0
 23  7  2  0  0  0  0
 24  8  2  0  0  0  0
 25 11  1  0  0  0  0
 26 11  1  0  0  0  0
 27 14  1  0  0  0  0
 28 29  1  0  0  0  0
 29 27  2  0  0  0  0
 30 26  1  0  0  0  0
 31 25  1  0  0  0  0
 32 23  1  0  0  0  0
 33 32  2  0  0  0  0
 19 20  2  0  0  0  0
  5  4  2  0  0  0  0
 33 24  1  0  0  0  0
 16 28  2  0  0  0  0
M  END
>  <Mol_ID> (1,617)
1617

>  <Formula> (1,617)
C25H24N4O3S

>  <MolWeight> (1,617)
460.54806

>  <COMPOUND_NAME> (1,617)
WAY-359175

>  <BAR_CODE_NO> (1,617)
2570407

$$$$
WAY-359304
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    4.2917   -3.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8625   -3.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5792   -2.7042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2917   -3.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8542   -3.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5750   -4.3667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5792   -1.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0125   -2.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1417   -2.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7292   -2.3167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3000   -1.4750    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.0042   -4.3792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1500   -1.8750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3042   -0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1417   -4.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4292   -3.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4292   -3.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0125   -1.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0167   -0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5917   -0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5917    0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0250    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3125    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  6  1  0  0  0  0
  6  4  1  0  0  0  0
  7  3  1  0  0  0  0
  8  1  1  0  0  0  0
  9  2  1  0  0  0  0
 10  8  3  0  0  0  0
 11  7  1  0  0  0  0
 12  4  1  0  0  0  0
 13  9  2  0  0  0  0
 14 11  1  0  0  0  0
 15  5  1  0  0  0  0
 16  9  1  0  0  0  0
 17 15  1  0  0  0  0
 18 11  1  0  0  0  0
 19 14  2  0  0  0  0
 20 14  1  0  0  0  0
 21 20  2  0  0  0  0
 22 19  1  0  0  0  0
 23 21  1  0  0  0  0
  2  5  2  0  0  0  0
 16 17  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,618)
1618

>  <Formula> (1,618)
C19H20N2O2

>  <MolWeight> (1,618)
308.3743

>  <COMPOUND_NAME> (1,618)
WAY-359304

>  <BAR_CODE_NO> (1,618)
2570541

$$$$
WAY-359307
csChFnd80/06171916322D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -2.9292    0.5614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1042    0.5614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6940    1.2719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1042    1.9870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9292    1.9870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3440    1.2719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8690    1.2708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4575    0.5557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3675    0.5546    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7790   -0.1604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6040   -0.1616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0156   -0.8766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6003   -1.5901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0111   -2.3047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8370   -2.3063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2503   -1.5874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8371   -0.8758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8710   -0.1582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  8  9  1  0  0  0  0
  2  3  1  0  0  0  0
  9 10  1  0  0  0  0
  3  4  1  0  0  0  0
 10 11  1  0  0  0  0
  4  5  1  0  0  0  0
 11 12  1  0  0  0  0
  5  6  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
  3  7  1  0  0  0  0
 14 15  2  0  0  0  0
  1  2  1  0  0  0  0
 15 16  1  0  0  0  0
  7  8  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
  1  6  1  0  0  0  0
  8 18  2  0  0  0  0
M  END
>  <Mol_ID> (1,619)
1619

>  <Formula> (1,619)
C15H22N2O

>  <MolWeight> (1,619)
246.34798

>  <COMPOUND_NAME> (1,619)
WAY-359307

>  <BAR_CODE_NO> (1,619)
2570546

$$$$
WAY-359451
csChFnd80/06171916322D

 17 19  0  0  0  0  0  0  0  0999 V2000
    0.4103   -0.0741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0773    0.4059    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0773   -0.5511    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4957    0.2289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9983   -0.1191    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4957   -0.3741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0087    0.5169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0087   -0.6771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5157    0.2289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5157   -0.3741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3373    0.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2593   -0.6621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0437    0.5349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0437    1.1409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9253    0.3249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8473   -0.7131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1953   -0.2121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8  6  1  0  0  0  0
  7  9  2  0  0  0  0
 10  8  2  0  0  0  0
 11  5  1  0  0  0  0
 12  5  1  0  0  0  0
 13  9  1  0  0  0  0
 14 13  1  0  0  0  0
 15 11  1  0  0  0  0
 16 12  1  0  0  0  0
 17 16  1  0  0  0  0
  6  4  2  0  0  0  0
 17 15  1  0  0  0  0
 10  9  1  0  0  0  0
M  END
>  <Mol_ID> (1,620)
1620

>  <Formula> (1,620)
C13H17N3O

>  <MolWeight> (1,620)
231.29358

>  <COMPOUND_NAME> (1,620)
WAY-359451

>  <BAR_CODE_NO> (1,620)
2570702

$$$$
WAY-359459
csChFnd80/06171916322D

 28 32  0  0  0  0  0  0  0  0999 V2000
    1.3500   -3.3292    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.3500   -4.0792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6542   -3.3292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6917   -4.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1875   -2.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417   -3.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417   -4.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042   -4.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6542   -4.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9042   -2.9917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3500   -2.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6917   -5.2042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9917   -2.0667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1042   -3.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6125   -2.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6125   -4.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   -2.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5750   -4.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8292   -3.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2583   -3.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2583   -4.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0167   -4.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7667   -4.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3500   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4917   -5.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  2  0  0  0  0
  8  2  1  0  0  0  0
  9  3  1  0  0  0  0
 10  5  1  0  0  0  0
 11  1  1  0  0  0  0
 12  4  2  0  0  0  0
 13  5  2  0  0  0  0
 14 10  1  0  0  0  0
 15  6  1  0  0  0  0
 16  7  1  0  0  0  0
 17 11  2  0  0  0  0
 18 11  1  0  0  0  0
 19 14  1  0  0  0  0
 20 14  2  0  0  0  0
 21 15  2  0  0  0  0
 22 21  1  0  0  0  0
 23 18  2  0  0  0  0
 24 17  1  0  0  0  0
 25 20  1  0  0  0  0
 26 19  2  0  0  0  0
 27 23  1  0  0  0  0
 28 25  2  0  0  0  0
  4  7  1  0  0  0  0
  9  8  1  0  0  0  0
 24 27  2  0  0  0  0
 22 16  2  0  0  0  0
 28 26  1  0  0  0  0
M  END
>  <Mol_ID> (1,621)
1621

>  <Formula> (1,621)
C23H19N3O2

>  <MolWeight> (1,621)
369.41586

>  <COMPOUND_NAME> (1,621)
WAY-359459

>  <BAR_CODE_NO> (1,621)
2570710

$$$$
WAY-359464
csChFnd80/06171916322D

 33 36  0  0  0  0  0  0  0  0999 V2000
    6.1292   -2.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6167   -1.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8625   -0.9167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0667   -0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8167   -2.8917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.9000   -1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6000   -2.6042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9917   -2.8417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2292   -3.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0417   -3.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7875   -1.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1042   -3.6667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5292   -2.1125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7375    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0917   -3.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9000   -3.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4125   -2.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5042   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6000   -2.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4917   -3.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6375   -2.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292   -4.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042   -4.0042    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.2292    0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9167    0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3292   -4.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7292   -4.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5917    0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9125    1.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5917   -5.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1917   -5.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0917    1.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8292   -5.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  6  1  0  0  0  0
  4  2  1  0  0  0  0
  5  7  1  0  0  0  0
  6  1  2  0  0  0  0
  7  9  2  0  0  0  0
  8  1  1  0  0  0  0
  9  8  1  0  0  0  0
 10  5  1  0  0  0  0
 11  2  2  0  0  0  0
 12  5  2  0  0  0  0
 13  5  2  0  0  0  0
 14  4  1  0  0  0  0
 15  9  1  0  0  0  0
 16 10  2  0  0  0  0
 17 10  1  0  0  0  0
 18  3  1  0  0  0  0
 19  6  1  0  0  0  0
 20 21  1  0  0  0  0
 21 17  2  0  0  0  0
 22 16  1  0  0  0  0
 23 20  1  0  0  0  0
 24 14  1  0  0  0  0
 25 14  2  0  0  0  0
 26 15  2  0  0  0  0
 27 15  1  0  0  0  0
 28 25  1  0  0  0  0
 29 24  2  0  0  0  0
 30 27  2  0  0  0  0
 31 26  1  0  0  0  0
 32 28  2  0  0  0  0
 33 30  1  0  0  0  0
  4  3  1  0  0  0  0
 31 33  2  0  0  0  0
 29 32  1  0  0  0  0
 22 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,622)
1622

>  <Formula> (1,622)
C24H21ClN4O3S

>  <MolWeight> (1,622)
480.96654

>  <COMPOUND_NAME> (1,622)
WAY-359464

>  <BAR_CODE_NO> (1,622)
2570716

$$$$
WAY-359505
csChFnd80/06171916322D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -0.0552    1.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8517    0.0931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3552    1.1586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8517    2.3345    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2138    0.5207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0552   -0.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2138    1.9172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2931   -0.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4172   -0.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3552   -1.1966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6034    0.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0655   -1.1966    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.3586    0.9759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7069   -0.4621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7517    1.6241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4034   -0.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6862    0.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6345   -1.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5690   -1.9069    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.0897   -2.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  2  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 13  2  0  0  0  0
 11 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 16 19  1  0  0  0  0
 18 20  1  0  0  0  0
  5  7  2  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (1,623)
1623

>  <Formula> (1,623)
C12H11ClN2O3S2

>  <MolWeight> (1,623)
330.81034

>  <COMPOUND_NAME> (1,623)
WAY-359505

>  <BAR_CODE_NO> (1,623)
2570771

$$$$
WAY-359511
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -0.5868    0.2106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2006   -0.0066    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5868    0.6313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9385   -0.0066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1615    0.2106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1868   -0.4273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2006    0.8555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9385    0.8555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3006    0.2106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9385   -0.4445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1615    0.6313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5615    0.3555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4753   -0.0687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1994   -0.6273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5385   -0.6445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1868    1.2727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3006    0.6313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5615   -0.4066    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7006    0.7072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7753   -0.5169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1615   -0.3445    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7132   -0.9169    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5270   -0.6273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4649   -1.0273    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8408   -0.5066    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  2  0  0  0  0
  7 16  1  0  0  0  0
  8 17  2  0  0  0  0
 14 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
  7 11  2  0  0  0  0
  9 17  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (1,624)
1624

>  <Formula> (1,624)
C18H22N4OS2

>  <MolWeight> (1,624)
374.52348

>  <COMPOUND_NAME> (1,624)
WAY-359511

>  <BAR_CODE_NO> (1,624)
2570781

$$$$
WAY-359523
csChFnd80/06171916322D

 18 19  0  0  0  0  0  0  0  0999 V2000
    5.9917   -2.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2792   -3.1417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7042   -3.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1292   -2.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792   -3.0625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.8500   -3.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9875   -1.8917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8167   -2.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2417   -2.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0417   -1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2375   -1.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5667   -2.7292    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.0625   -2.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5917   -2.0292    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.9792   -3.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8000   -4.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3417   -3.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5667   -1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  6  1  0  0  0  0
  5  4  1  0  0  0  0
  6 12  1  0  0  0  0
  7  1  2  0  0  0  0
  8  5  1  0  0  0  0
  9  3  1  0  0  0  0
 10  4  2  0  0  0  0
 11 10  1  0  0  0  0
 12  2  1  0  0  0  0
 13  9  2  0  0  0  0
 14 13  1  0  0  0  0
 15  3  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 12  1  0  0  0  0
 17 13  1  0  0  0  0
 11  8  2  0  0  0  0
M  END
>  <Mol_ID> (1,625)
1625

>  <Formula> (1,625)
C14H14ClNOS

>  <MolWeight> (1,625)
279.78506

>  <COMPOUND_NAME> (1,625)
WAY-359523

>  <BAR_CODE_NO> (1,625)
2570792

$$$$
WAY-359600
csChFnd80/06171916322D

 23 26  0  0  0  0  0  0  0  0999 V2000
    6.0000  -15.7667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3167  -15.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6792  -15.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2167  -16.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3167  -14.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6792  -14.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3000  -17.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1042  -17.7875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000  -16.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5167  -17.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000  -16.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9542  -16.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7875  -16.8000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.0000  -17.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3542  -15.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6375  -15.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3542  -14.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6375  -14.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6875  -18.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0375  -14.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9542  -14.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9542  -15.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0375  -15.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4 11  1  0  0  0  0
  5  2  2  0  0  0  0
  6  3  2  0  0  0  0
  7  4  1  0  0  0  0
  8  7  2  0  0  0  0
  9  1  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12  4  1  0  0  0  0
 13  9  1  0  0  0  0
 14 13  1  0  0  0  0
 15  3  1  0  0  0  0
 16  2  1  0  0  0  0
 17  6  1  0  0  0  0
 18  5  1  0  0  0  0
 19  7  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  1  0  0  0  0
 22 16  2  0  0  0  0
 23 15  2  0  0  0  0
  6  5  1  0  0  0  0
 20 17  2  0  0  0  0
 18 21  2  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Mol_ID> (1,626)
1626

>  <Formula> (1,626)
C19H19N3O

>  <MolWeight> (1,626)
305.37366

>  <COMPOUND_NAME> (1,626)
WAY-359600

>  <BAR_CODE_NO> (1,626)
2570864

$$$$
WAY-359617
csChFnd80/06171916322D

 34 38  0  0  0  0  0  0  0  0999 V2000
    1.7377   -0.9414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5826   -1.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0653   -0.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3757   -1.7414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1584   -0.3862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7791   -1.8793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0653    0.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3308   -0.8069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0446   -2.3207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0032   -0.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5826   -2.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3308    0.9483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8205    0.9690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4485   -0.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5826    0.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2653   -1.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4485    0.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4308   -0.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3205    0.9034    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.1170   -1.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2002    0.9897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6964   -0.9207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9623    0.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6899    0.9897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4554    0.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8554    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0726    1.1724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6933    1.9345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9105    0.9690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1588    0.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4899    1.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0071   -0.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3174    1.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5795    0.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  2  0  0  0  0
 10 15  2  0  0  0  0
 10 16  1  0  0  0  0
 12 17  2  0  0  0  0
 15 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  2  0  0  0  0
 17 21  1  0  0  0  0
 18 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
 30 32  2  0  0  0  0
 31 33  1  0  0  0  0
 32 34  1  0  0  0  0
  6  9  1  0  0  0  0
 14 17  1  0  0  0  0
 20 22  1  0  0  0  0
 27 28  1  0  0  0  0
 33 34  2  0  0  0  0
M  END
>  <Mol_ID> (1,627)
1627

>  <Formula> (1,627)
C26H21FN4O3

>  <MolWeight> (1,627)
456.4683432

>  <COMPOUND_NAME> (1,627)
WAY-359617

>  <BAR_CODE_NO> (1,627)
2570892

$$$$
WAY-359644-A
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.0550    0.6654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2274    0.6654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4653   -0.0485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4653    1.3757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1830   -0.0485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1968    1.3791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0550   -0.7692    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2998   -0.0485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2998    1.3757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2274   -0.7692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0243    1.3688    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2136    2.1068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7136    0.6654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1830   -1.4830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4347    0.6516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1791   -2.2243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0105   -1.6002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2588    0.6516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4209   -2.8002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1450   -2.4105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6726   -0.0692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6726    1.3653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
  8 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 18 22  1  0  0  0  0
  7 10  1  0  0  0  0
  9 13  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,628)
1628

>  <Formula> (1,628)
C18H18N2O2

>  <MolWeight> (1,628)
294.34772

>  <COMPOUND_NAME> (1,628)
WAY-359644-A

>  <BAR_CODE_NO> (1,628)
2570918

$$$$
WAY-359647-A
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    6.4417   -7.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2042   -6.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6167   -7.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6167   -5.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8625   -8.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8542   -6.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4417   -5.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9292   -8.8167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6875   -8.1042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.3500   -9.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1042   -8.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1875  -10.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9292  -10.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1750   -9.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3667  -10.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6000  -10.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1042   -7.3875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6042  -11.6792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3750   -6.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2042   -5.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2000  -12.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9625   -5.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3750   -5.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  7  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8 11  1  0  0  0  0
  9  5  1  0  0  0  0
 10  8  1  0  0  0  0
 11  9  1  0  0  0  0
 12 16  1  0  0  0  0
 13 10  2  0  0  0  0
 14 10  1  0  0  0  0
 15 13  1  0  0  0  0
 16 14  2  0  0  0  0
 17  9  1  0  0  0  0
 18 12  1  0  0  0  0
 19  2  2  0  0  0  0
 20  4  2  0  0  0  0
 21 18  1  0  0  0  0
 22 19  1  0  0  0  0
 23 20  1  0  0  0  0
  2  4  1  0  0  0  0
 22 23  2  0  0  0  0
 15 12  2  0  0  0  0
M  END
>  <Mol_ID> (1,629)
1629

>  <Formula> (1,629)
C19H23NO3

>  <MolWeight> (1,629)
313.39082

>  <COMPOUND_NAME> (1,629)
WAY-359647-A

>  <BAR_CODE_NO> (1,629)
2570921

$$$$
WAY-359748
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
    9.9542   -9.9292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.3792  -10.6375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5375   -9.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4792   -8.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792   -6.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7125   -9.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6667   -9.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2417  -10.3417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3000   -8.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0667   -7.8042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9917   -5.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7667   -6.1917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4292   -5.0417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6875   -5.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9917   -7.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0750   -9.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2167  -12.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8167   -5.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9667  -11.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2042  -10.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8167   -7.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2417   -7.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2292   -6.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9417   -8.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7042   -7.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3917  -12.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6167  -11.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5292   -7.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  9  1  0  0  0  0
  5 15  2  0  0  0  0
  6  3  1  0  0  0  0
  7  1  2  0  0  0  0
  8  1  2  0  0  0  0
  9  6  2  0  0  0  0
 10  4  1  0  0  0  0
 11 18  2  0  0  0  0
 12  5  1  0  0  0  0
 13 11  1  0  0  0  0
 14 12  1  0  0  0  0
 15 21  1  0  0  0  0
 16  4  2  0  0  0  0
 17 27  1  0  0  0  0
 18 23  1  0  0  0  0
 19  2  1  0  0  0  0
 20  2  1  0  0  0  0
 21 22  1  0  0  0  0
 22 10  1  0  0  0  0
 23 21  2  0  0  0  0
 24  3  2  0  0  0  0
 25 28  2  0  0  0  0
 26 19  1  0  0  0  0
 27 20  1  0  0  0  0
 28 24  1  0  0  0  0
 17 26  1  0  0  0  0
 25  9  1  0  0  0  0
 11  5  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,630)
1630

>  <Formula> (1,630)
C19H20N2O6S

>  <MolWeight> (1,630)
404.4369

>  <COMPOUND_NAME> (1,630)
WAY-359748

>  <BAR_CODE_NO> (1,630)
2571029

$$$$
WAY-359838
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    4.2167   -1.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6542   -2.5625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9000   -6.1042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2417   -3.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7000   -6.0792    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.3917   -1.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6667   -5.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4792   -5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6167   -1.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4917   -6.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9667   -6.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8875   -7.5125    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.4125   -3.2750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2667   -6.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2500   -4.7042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1042   -6.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875   -0.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9667   -1.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6542   -3.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7000   -7.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3625   -0.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292   -1.1875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.4542   -1.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  8  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7 15  1  0  0  0  0
  8  7  1  0  0  0  0
  9  1  2  0  0  0  0
 10  3  1  0  0  0  0
 11  5  1  0  0  0  0
 12 10  1  0  0  0  0
 13  4  2  0  0  0  0
 14  7  2  0  0  0  0
 15 19  1  0  0  0  0
 16  5  1  0  0  0  0
 17  9  1  0  0  0  0
 18  6  2  0  0  0  0
 19  4  1  0  0  0  0
 20 12  1  0  0  0  0
 21 17  2  0  0  0  0
 22 18  1  0  0  0  0
 23  9  1  0  0  0  0
 18 21  1  0  0  0  0
 12 11  1  0  0  0  0
 20 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,631)
1631

>  <Formula> (1,631)
C18H22ClNO3

>  <MolWeight> (1,631)
335.82518

>  <COMPOUND_NAME> (1,631)
WAY-359838

>  <BAR_CODE_NO> (1,631)
2571439

$$$$
WAY-359931
csChFnd80/06171916322D

 23 24  0  0  0  0  0  0  0  0999 V2000
    5.4917   -6.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6625   -6.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2375   -4.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9000   -7.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9167   -5.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2417   -5.6667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6417   -3.5250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2292   -7.0917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7417   -5.7042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3792   -1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4167   -4.2417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2125   -1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9667   -2.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6542   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2167   -2.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9542   -0.6542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.6292   -2.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3792   -2.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7167   -7.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1417   -6.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3625    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1917    0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3 14  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  2  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  2  2  0  0  0  0
  9  5  1  0  0  0  0
 10 13  1  0  0  0  0
 11  3  2  0  0  0  0
 12 17  1  0  0  0  0
 13 18  2  0  0  0  0
 14  6  1  0  0  0  0
 15  7  1  0  0  0  0
 16 10  1  0  0  0  0
 17 15  2  0  0  0  0
 18 15  1  0  0  0  0
 19  4  1  0  0  0  0
 20  9  1  0  0  0  0
 21 16  1  0  0  0  0
 22 16  1  0  0  0  0
 23 21  1  0  0  0  0
 19 20  1  0  0  0  0
 10 12  2  0  0  0  0
M  END
>  <Mol_ID> (1,632)
1632

>  <Formula> (1,632)
C17H21NO5

>  <MolWeight> (1,632)
319.35234

>  <COMPOUND_NAME> (1,632)
WAY-359931

>  <BAR_CODE_NO> (1,632)
2571151

$$$$
WAY-359956
csChFnd80/06171916322D

 23 24  0  0  0  0  0  0  0  0999 V2000
    5.4917   -6.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6625   -6.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2375   -4.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9000   -7.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9167   -5.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2417   -5.6667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6417   -3.5167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9625   -0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3792   -1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2292   -7.0917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7417   -5.7042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4125   -4.2417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2167   -1.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9750   -2.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6542   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2250   -2.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3917   -2.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6375   -2.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7167   -7.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2417   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750   -0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5417    0.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1417   -6.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3 15  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  2  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  9  1  0  0  0  0
  9 13  1  0  0  0  0
 10  2  2  0  0  0  0
 11  5  1  0  0  0  0
 12  3  2  0  0  0  0
 13 18  2  0  0  0  0
 14 17  1  0  0  0  0
 15  6  1  0  0  0  0
 16  7  1  0  0  0  0
 17 16  2  0  0  0  0
 18 16  1  0  0  0  0
 19  4  1  0  0  0  0
 20  8  1  0  0  0  0
 21  8  1  0  0  0  0
 22  8  1  0  0  0  0
 23 11  1  0  0  0  0
 19 23  1  0  0  0  0
  9 14  2  0  0  0  0
M  END
>  <Mol_ID> (1,633)
1633

>  <Formula> (1,633)
C17H21NO5

>  <MolWeight> (1,633)
319.35234

>  <COMPOUND_NAME> (1,633)
WAY-359956

>  <BAR_CODE_NO> (1,633)
2571226

$$$$
WAY-380021
csChFnd80/06171916322D

 30 32  0  0  0  0  0  0  0  0999 V2000
    5.2375   -5.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4167   -5.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6625   -5.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500   -6.4667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.3542   -5.7375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8667    1.4208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9292   -6.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6667   -7.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5042   -7.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4417    0.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9917   -2.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4000   -2.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -4.3292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0125   -5.7625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9917   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1667   -2.9042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4042   -3.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0167   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4250   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6417   -4.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4917   -5.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7667   -0.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9250   -7.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2667   -7.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1667   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1875   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4750   -4.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8917   -5.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5250   -8.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6875   -8.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  7  3  0  0  0  0
  6 10  3  0  0  0  0
  7  9  1  0  0  0  0
  8  4  1  0  0  0  0
  9  8  1  0  0  0  0
 10 18  1  0  0  0  0
 11 17  1  0  0  0  0
 12 11  1  0  0  0  0
 13  2  1  0  0  0  0
 14  2  2  0  0  0  0
 15 12  1  0  0  0  0
 16 11  2  0  0  0  0
 17 13  1  0  0  0  0
 18 19  2  0  0  0  0
 19 15  1  0  0  0  0
 20  1  2  0  0  0  0
 21  3  2  0  0  0  0
 22 25  1  0  0  0  0
 23  9  2  0  0  0  0
 24  8  2  0  0  0  0
 25 15  2  0  0  0  0
 26 22  2  0  0  0  0
 27 20  1  0  0  0  0
 28 27  2  0  0  0  0
 29 30  2  0  0  0  0
 30 24  1  0  0  0  0
 21 28  1  0  0  0  0
 29 23  1  0  0  0  0
 18 26  1  0  0  0  0
M  END
>  <Mol_ID> (1,634)
1634

>  <Formula> (1,634)
C23H15N3O3S

>  <MolWeight> (1,634)
413.4485

>  <COMPOUND_NAME> (1,634)
WAY-380021

>  <BAR_CODE_NO> (1,634)
2571293

$$$$
WAY-380051
csChFnd80/06171916322D

 18 19  0  0  0  0  0  0  0  0999 V2000
    5.3917   -6.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5667   -6.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1167   -2.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8042   -7.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1417   -4.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5500   -3.5417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8042   -5.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3917   -2.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1042   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1500   -5.6917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1542   -7.1167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3167   -4.2667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6292   -7.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5542   -4.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6292   -5.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3792   -7.8417    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.0417   -6.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0542   -4.9667    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  6  1  0  0  0  0
  4  1  2  0  0  0  0
  5 14  1  0  0  0  0
  6  5  1  0  0  0  0
  7  1  1  0  0  0  0
  8  3  1  0  0  0  0
  9  3  1  0  0  0  0
 10  2  1  0  0  0  0
 11  2  2  0  0  0  0
 12  5  2  0  0  0  0
 13  4  1  0  0  0  0
 14 10  1  0  0  0  0
 15  7  2  0  0  0  0
 16  4  1  0  0  0  0
 17 15  1  0  0  0  0
 18 15  1  0  0  0  0
 13 17  2  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <Mol_ID> (1,635)
1635

>  <Formula> (1,635)
C12H11BrClNO3

>  <MolWeight> (1,635)
332.57764

>  <COMPOUND_NAME> (1,635)
WAY-380051

>  <BAR_CODE_NO> (1,635)
2571326

$$$$
WAY-380085
csChFnd80/06171916322D

 20 21  0  0  0  0  0  0  0  0999 V2000
    5.4917   -6.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6625   -6.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2375   -4.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9000   -7.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9167   -5.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2417   -5.6667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6417   -3.5167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2292   -7.0917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7417   -5.7042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4125   -4.2417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6542   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2250   -2.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3792   -1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3917   -2.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6292   -2.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9667   -2.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2042   -1.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7167   -7.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1417   -6.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9542   -0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3 11  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  2  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  2  2  0  0  0  0
  9  5  1  0  0  0  0
 10  3  2  0  0  0  0
 11  6  1  0  0  0  0
 12  7  1  0  0  0  0
 13 17  2  0  0  0  0
 14 12  1  0  0  0  0
 15 12  2  0  0  0  0
 16 14  2  0  0  0  0
 17 15  1  0  0  0  0
 18  4  1  0  0  0  0
 19  9  1  0  0  0  0
 20 13  1  0  0  0  0
 18 19  1  0  0  0  0
 13 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,636)
1636

>  <Formula> (1,636)
C14H15NO5

>  <MolWeight> (1,636)
277.2726

>  <COMPOUND_NAME> (1,636)
WAY-380085

>  <BAR_CODE_NO> (1,636)
2571369

$$$$
WAY-380141
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
    4.7625   -5.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042   -4.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1417   -6.0542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292   -3.4500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3792   -4.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2542   -4.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6375   -4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4125   -5.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1042   -5.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292   -4.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167   -2.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7667   -6.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0167   -8.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0167   -6.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1417   -7.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7667   -8.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6417   -7.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167   -3.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4875   -2.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6292   -3.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7542   -4.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3792   -3.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292   -2.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667   -2.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6542   -8.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  6  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  5  2  0  0  0  0
  8  1  2  0  0  0  0
  9  1  2  0  0  0  0
 10  2  2  0  0  0  0
 11 23  1  0  0  0  0
 12  3  1  0  0  0  0
 13 16  1  0  0  0  0
 14 12  2  0  0  0  0
 15 12  1  0  0  0  0
 16 15  2  0  0  0  0
 17 14  1  0  0  0  0
 18  4  1  0  0  0  0
 19  4  1  0  0  0  0
 20 22  1  0  0  0  0
 21  5  1  0  0  0  0
 22 21  2  0  0  0  0
 23 19  1  0  0  0  0
 24 18  1  0  0  0  0
 25 13  1  0  0  0  0
  6 20  2  0  0  0  0
 13 17  2  0  0  0  0
 24 11  1  0  0  0  0
M  END
>  <Mol_ID> (1,637)
1637

>  <Formula> (1,637)
C18H20N2O4S

>  <MolWeight> (1,637)
360.4274

>  <COMPOUND_NAME> (1,637)
WAY-380141

>  <BAR_CODE_NO> (1,637)
2571430

$$$$
WAY-380162
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
    4.2125   -1.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6292   -2.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2250   -3.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6167   -1.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6500   -5.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6417   -3.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4000   -3.2667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2292   -4.6917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2292   -6.1167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1917   -0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4875   -5.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3792   -1.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9042   -6.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4750   -2.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4542   -1.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9542   -1.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3667   -0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6000    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4917   -6.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7292   -6.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8750   -1.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8542   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4250    0.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1417   -6.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9000   -7.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7250   -7.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  8  1  0  0  0  0
  6  3  1  0  0  0  0
  7  3  2  0  0  0  0
  8  6  1  0  0  0  0
  9  5  2  0  0  0  0
 10  4  1  0  0  0  0
 11  5  1  0  0  0  0
 12  1  2  0  0  0  0
 13 11  1  0  0  0  0
 14  2  1  0  0  0  0
 15  4  2  0  0  0  0
 16 12  1  0  0  0  0
 17 16  2  0  0  0  0
 18 10  2  0  0  0  0
 19 13  2  0  0  0  0
 20 13  1  0  0  0  0
 21 14  1  0  0  0  0
 22 15  1  0  0  0  0
 23 22  2  0  0  0  0
 24 20  2  0  0  0  0
 25 19  1  0  0  0  0
 26 24  1  0  0  0  0
 17 10  1  0  0  0  0
 18 23  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <Mol_ID> (1,638)
1638

>  <Formula> (1,638)
C22H21NO3

>  <MolWeight> (1,638)
347.40704

>  <COMPOUND_NAME> (1,638)
WAY-380162

>  <BAR_CODE_NO> (1,638)
2571457

$$$$
WAY-380171
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
    2.6375   -1.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2250   -0.7167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2250   -1.8667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5500   -0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5500   -1.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4125   -1.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3500   -1.3000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.8250   -3.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5375   -3.0792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7667   -2.5250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6667   -3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8292   -3.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2875   -4.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7625   -1.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292   -2.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7042   -1.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4750   -2.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167   -0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167   -1.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3125   -0.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6 17  1  0  0  0  0
  7  1  1  0  0  0  0
  8 18  1  0  0  0  0
  9  8  1  0  0  0  0
 10  4  1  0  0  0  0
 11  6  1  0  0  0  0
 12  8  2  0  0  0  0
 13  9  1  0  0  0  0
 14 12  1  0  0  0  0
 15  6  2  0  0  0  0
 16  5  1  0  0  0  0
 17  7  1  0  0  0  0
 18 11  1  0  0  0  0
 19 10  2  0  0  0  0
 20 16  2  0  0  0  0
 21 19  1  0  0  0  0
  5  4  2  0  0  0  0
 20 19  1  0  0  0  0
 13 14  2  0  0  0  0
M  END
>  <Mol_ID> (1,639)
1639

>  <Formula> (1,639)
C15H15N3O2S

>  <MolWeight> (1,639)
301.3635

>  <COMPOUND_NAME> (1,639)
WAY-380171

>  <BAR_CODE_NO> (1,639)
2571466

$$$$
WAY-380211
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
    6.5542   -3.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1417   -4.4292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8792   -3.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9750   -4.4292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2292   -3.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5542   -2.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2667   -1.9042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1000   -3.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4542   -5.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8417   -1.9042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7042   -1.0917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4792   -3.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9292   -2.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5292   -2.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1417   -2.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7000   -3.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7417   -2.6167    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.9875   -2.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2667   -1.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9875   -0.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7000   -1.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2750   -5.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1167   -5.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6042   -6.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7667   -5.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4292   -6.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  3  1  0  0  0  0
  9  4  1  0  0  0  0
 10  6  2  0  0  0  0
 11 20  1  0  0  0  0
 12  8  1  0  0  0  0
 13  8  2  0  0  0  0
 14 15  2  0  0  0  0
 15 13  1  0  0  0  0
 16 12  2  0  0  0  0
 17 14  1  0  0  0  0
 18  7  1  0  0  0  0
 19  7  1  0  0  0  0
 20 19  1  0  0  0  0
 21 18  1  0  0  0  0
 22  9  1  0  0  0  0
 23  9  2  0  0  0  0
 24 23  1  0  0  0  0
 25 22  2  0  0  0  0
 26 24  2  0  0  0  0
  2  4  1  0  0  0  0
 21 11  1  0  0  0  0
 16 14  1  0  0  0  0
 26 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,640)
1640

>  <Formula> (1,640)
C20H18FN3O2

>  <MolWeight> (1,640)
351.3742232

>  <COMPOUND_NAME> (1,640)
WAY-380211

>  <BAR_CODE_NO> (1,640)
2571513

$$$$
WAY-380220
csChFnd80/06171916322D

 30 34  0  0  0  0  0  0  0  0999 V2000
    0.0167    0.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0875    1.0333    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.7042    0.6333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208   -0.1542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833    0.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3833   -0.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0875    1.6625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292    1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792   -0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000    1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6792   -0.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292    1.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458   -1.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9292   -1.6167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167    0.7458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3500   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0167   -1.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0167   -0.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000    2.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8833    0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6000    2.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5833    1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8833    2.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3208    2.5208    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458   -1.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4375   -1.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9625   -2.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000   -2.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833   -2.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  1  2  0  0  0  0
  8  2  1  0  0  0  0
  9  3  1  0  0  0  0
 10  3  1  0  0  0  0
 11  5  1  0  0  0  0
 12 10  1  0  0  0  0
 13  8  1  0  0  0  0
 14  6  1  0  0  0  0
 15 12  1  0  0  0  0
 16  9  2  0  0  0  0
 17 12  2  0  0  0  0
 18 15  1  0  0  0  0
 19 17  1  0  0  0  0
 20 11  2  0  0  0  0
 21 11  1  0  0  0  0
 22 23  1  0  0  0  0
 23 21  2  0  0  0  0
 24 20  1  0  0  0  0
 25 22  1  0  0  0  0
 26 14  2  0  0  0  0
 27 14  1  0  0  0  0
 28 26  1  0  0  0  0
 29 27  2  0  0  0  0
 30 29  1  0  0  0  0
  6  4  1  0  0  0  0
 13  9  1  0  0  0  0
 22 24  2  0  0  0  0
 30 28  2  0  0  0  0
 19 18  2  0  0  0  0
M  END
>  <Mol_ID> (1,641)
1641

>  <Formula> (1,641)
C23H18ClN3O2S

>  <MolWeight> (1,641)
435.92592

>  <COMPOUND_NAME> (1,641)
WAY-380220

>  <BAR_CODE_NO> (1,641)
2571526

$$$$
WAY-380227
csChFnd80/06171916322D

 18 19  0  0  0  0  0  0  0  0999 V2000
    0.1808    0.0692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1808   -0.7343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5192    0.4899    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9602    0.3381    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4813   -1.2205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9602   -0.9826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5192    1.3002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4188   -0.3205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3813   -2.0308    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2192   -0.8860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2188   -1.7619    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2192    1.6899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1808    1.6899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3601   -2.3619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2192    2.5002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1808    2.5002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4361   -3.1688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5192    2.8899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
  7 12  2  0  0  0  0
  7 13  1  0  0  0  0
  9 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 18  2  0  0  0  0
  6  8  1  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,642)
1642

>  <Formula> (1,642)
C13H13NO3S

>  <MolWeight> (1,642)
263.31222

>  <COMPOUND_NAME> (1,642)
WAY-380227

>  <BAR_CODE_NO> (1,642)
2571531

$$$$
WAY-380232
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    3.6875   -5.8792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.3167   -3.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7792   -3.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0417   -4.5917    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.4917   -3.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3292   -5.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6042   -3.2125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2125   -4.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8250   -2.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9917   -5.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4792   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1292   -1.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4042   -6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9750   -6.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1167   -3.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6917   -4.6875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792   -2.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000   -3.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6000   -2.1167    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.2042   -1.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9250   -2.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3792   -1.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0042   -0.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  2  1  0  0  0  0
  4  6  1  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8 10  2  0  0  0  0
  9  7  1  0  0  0  0
 10  1  1  0  0  0  0
 11  3  2  0  0  0  0
 12 11  1  0  0  0  0
 13  1  2  0  0  0  0
 14  1  2  0  0  0  0
 15  5  1  0  0  0  0
 16  2  2  0  0  0  0
 17 15  2  0  0  0  0
 18 15  1  0  0  0  0
 19  9  1  0  0  0  0
 20 17  1  0  0  0  0
 21 18  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
  4  8  1  0  0  0  0
 20 22  2  0  0  0  0
  9 12  2  0  0  0  0
M  END
>  <Mol_ID> (1,643)
1643

>  <Formula> (1,643)
C16H14BrNO4S

>  <MolWeight> (1,643)
396.25566

>  <COMPOUND_NAME> (1,643)
WAY-380232

>  <BAR_CODE_NO> (1,643)
2571537

$$$$
WAY-380234
csChFnd80/06171916322D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -0.2583   -1.9167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417   -1.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0500   -2.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6958   -2.6500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0500   -1.1167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292   -2.4917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292   -1.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1250   -2.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7417   -0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458   -1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3833   -2.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708   -1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5417   -0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9167   -2.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9292   -1.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3042   -1.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5125   -1.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  2  0  0  0  0
  7 13  1  0  0  0  0
  8  2  1  0  0  0  0
  9  2  1  0  0  0  0
 10  3  2  0  0  0  0
 11  4  1  0  0  0  0
 12 10  1  0  0  0  0
 13  9  1  0  0  0  0
 14  8  1  0  0  0  0
 15  7  1  0  0  0  0
 16 17  1  0  0  0  0
 17 15  1  0  0  0  0
 12 11  2  0  0  0  0
 14  7  1  0  0  0  0
M  END
>  <Mol_ID> (1,644)
1644

>  <Formula> (1,644)
C10H16N2O3S2

>  <MolWeight> (1,644)
276.37564

>  <COMPOUND_NAME> (1,644)
WAY-380234

>  <BAR_CODE_NO> (1,644)
2571539

$$$$
WAY-380329
csChFnd80/06171916322D

 18 19  0  0  0  0  0  0  0  0999 V2000
    8.2667   -7.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8792   -8.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7042   -8.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6625   -7.9542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6875   -9.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0375   -9.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3917   -9.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0417   -6.4917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.6917   -6.5292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4917   -7.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4417   -7.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2167   -6.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5542   -6.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8167   -5.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7875   -7.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9917   -5.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9625   -7.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7292   -6.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 10  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  2  0  0  0  0
  6  3  1  0  0  0  0
  7  5  1  0  0  0  0
  8 11  1  0  0  0  0
  9  1  2  0  0  0  0
 10  4  1  0  0  0  0
 11  1  1  0  0  0  0
 12  8  1  0  0  0  0
 13 17  1  0  0  0  0
 14 12  2  0  0  0  0
 15 12  1  0  0  0  0
 16 14  1  0  0  0  0
 17 15  2  0  0  0  0
 18 13  1  0  0  0  0
 13 16  2  0  0  0  0
  6  7  2  0  0  0  0
M  END
>  <Mol_ID> (1,645)
1645

>  <Formula> (1,645)
C14H15NO2S

>  <MolWeight> (1,645)
261.3394

>  <COMPOUND_NAME> (1,645)
WAY-380329

>  <BAR_CODE_NO> (1,645)
2571629

$$$$
WAY-380333
csChFnd80/06171916322D

 17 19  0  0  0  0  0  0  0  0999 V2000
    6.8417   -6.3375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1292   -5.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8417   -7.1625    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.1292   -7.5750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4167   -6.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4917   -7.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5625   -8.2792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.4167   -7.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1792   -7.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2917   -8.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6750   -7.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1292   -5.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7042   -5.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7042   -7.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6042   -9.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875   -6.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875   -7.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  6  1  0  0  0  0
  8  4  1  0  0  0  0
  9  6  2  0  0  0  0
 10  7  1  0  0  0  0
 11  9  1  0  0  0  0
 12  2  2  0  0  0  0
 13  5  1  0  0  0  0
 14  8  1  0  0  0  0
 15 10  1  0  0  0  0
 16 13  2  0  0  0  0
 17 14  2  0  0  0  0
  5  8  2  0  0  0  0
 11 10  2  0  0  0  0
 17 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,646)
1646

>  <Formula> (1,646)
C13H12N2OS

>  <MolWeight> (1,646)
244.31218

>  <COMPOUND_NAME> (1,646)
WAY-380333

>  <BAR_CODE_NO> (1,646)
2571638

$$$$
WAY-380398
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -2.1208    0.7625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5458    0.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7833    0.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5625    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042    0.0458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292    0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    0.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9875    0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208    0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042    0.9458    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.6208    1.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7958    0.0333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9875    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1708    0.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9333    0.9625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5500    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3625    0.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1708    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5500    0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2833    0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8333   -0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042    1.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2708   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5000    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  7  1  0  0  0  0
  7 20  1  0  0  0  0
  8 16  1  0  0  0  0
  9  1  1  0  0  0  0
 10  6  1  0  0  0  0
 11  9  1  0  0  0  0
 12  8  1  0  0  0  0
 13  2  2  0  0  0  0
 14  3  2  0  0  0  0
 15 12  1  0  0  0  0
 16 18  2  0  0  0  0
 17 11  1  0  0  0  0
 18 17  1  0  0  0  0
 19 11  2  0  0  0  0
 20 21  2  0  0  0  0
 21 18  1  0  0  0  0
 22  4  1  0  0  0  0
 23  5  1  0  0  0  0
 24 10  1  0  0  0  0
 25 10  1  0  0  0  0
 26 12  1  0  0  0  0
 27 23  2  0  0  0  0
 28 22  2  0  0  0  0
  5  4  2  0  0  0  0
 27 28  1  0  0  0  0
  8  7  2  0  0  0  0
 15 10  1  0  0  0  0
M  END
>  <Mol_ID> (1,647)
1647

>  <Formula> (1,647)
C22H22N2O4

>  <MolWeight> (1,647)
378.42108

>  <COMPOUND_NAME> (1,647)
WAY-380398

>  <BAR_CODE_NO> (1,647)
2571705

$$$$
WAY-380401
csChFnd80/06171916322D

 17 18  0  0  0  0  0  0  0  0999 V2000
    3.5250   -1.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8667   -2.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5542   -2.7667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8542   -2.1917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7000   -3.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8167   -3.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2875   -3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5167   -0.9792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.8792   -1.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5417   -2.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8417   -1.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8292   -0.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5042   -0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542   -1.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7792   -0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7417   -1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042   -0.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 10  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  2  0  0  0  0
  6  3  1  0  0  0  0
  7  5  1  0  0  0  0
  8 11  1  0  0  0  0
  9  1  2  0  0  0  0
 10  4  1  0  0  0  0
 11  1  1  0  0  0  0
 12  8  1  0  0  0  0
 13 12  2  0  0  0  0
 14 12  1  0  0  0  0
 15 13  1  0  0  0  0
 16 14  2  0  0  0  0
 17 16  1  0  0  0  0
  7  6  2  0  0  0  0
 17 15  2  0  0  0  0
M  END
>  <Mol_ID> (1,648)
1648

>  <Formula> (1,648)
C13H13NO2S

>  <MolWeight> (1,648)
247.31282

>  <COMPOUND_NAME> (1,648)
WAY-380401

>  <BAR_CODE_NO> (1,648)
2571697

$$$$
WAY-380404
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
    0.6250    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917   -0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8292   -0.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2125   -1.3792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7125   -0.1542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0417    1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1708    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5917   -2.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5917   -3.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2042   -2.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542   -0.8042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1750   -0.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3500   -3.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1042   -0.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7375   -2.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3500   -2.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6458   -0.4125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.8167    1.1333    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1750    1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6167    1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833    1.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2042   -3.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7292   -3.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5875   -4.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3417   -4.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3 14  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  1  2  0  0  0  0
  8  4  1  0  0  0  0
  9 10  1  0  0  0  0
 10  8  2  0  0  0  0
 11  2  2  0  0  0  0
 12  3  2  0  0  0  0
 13 15  1  0  0  0  0
 14  5  1  0  0  0  0
 15 16  2  0  0  0  0
 16  8  1  0  0  0  0
 17  7  1  0  0  0  0
 18  6  1  0  0  0  0
 19 21  2  0  0  0  0
 20  6  2  0  0  0  0
 21  7  1  0  0  0  0
 22  9  1  0  0  0  0
 23 13  1  0  0  0  0
 24 22  2  0  0  0  0
 25 23  2  0  0  0  0
 20 19  1  0  0  0  0
  9 13  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,649)
1649

>  <Formula> (1,649)
C19H13ClFNO3

>  <MolWeight> (1,649)
357.7628232

>  <COMPOUND_NAME> (1,649)
WAY-380404

>  <BAR_CODE_NO> (1,649)
2571710

$$$$
WAY-380417
csChFnd80/06171916322D

 23 24  0  0  0  0  0  0  0  0999 V2000
    3.1542   -3.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5625   -2.8500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5792   -5.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5667   -4.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3292   -3.5667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1625   -4.9917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1417   -6.4167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1417   -2.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7875   -6.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4000   -5.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6250   -6.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2750   -6.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1125   -6.5625    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0542   -5.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0250   -7.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8792   -5.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8417   -7.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3917   -2.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3125   -2.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5500   -1.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8875   -1.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1250   -0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3000   -0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  6  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  2  0  0  0  0
  6  4  1  0  0  0  0
  7  3  2  0  0  0  0
  8  2  1  0  0  0  0
  9 10  1  0  0  0  0
 10  3  1  0  0  0  0
 11  9  1  0  0  0  0
 12 17  2  0  0  0  0
 13 12  1  0  0  0  0
 14 11  1  0  0  0  0
 15 11  2  0  0  0  0
 16 14  2  0  0  0  0
 17 15  1  0  0  0  0
 18  2  1  0  0  0  0
 19  8  1  0  0  0  0
 20  8  1  0  0  0  0
 21 19  1  0  0  0  0
 22 20  1  0  0  0  0
 23 22  1  0  0  0  0
 21 23  1  0  0  0  0
 16 12  1  0  0  0  0
M  END
>  <Mol_ID> (1,650)
1650

>  <Formula> (1,650)
C17H22ClNO4

>  <MolWeight> (1,650)
339.81388

>  <COMPOUND_NAME> (1,650)
WAY-380417

>  <BAR_CODE_NO> (1,650)
2571724

$$$$
WAY-380432
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.7430   -1.6507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5602   -1.1748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7430   -2.6058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0777   -1.1748    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5602   -0.2196    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3912   -1.6403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5602   -3.0817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0777   -3.0817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9053   -1.6403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7430    0.2562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3912   -2.6162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9053   -2.6162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7533    1.2114    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0881   -0.2093    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0674    1.6873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8950    1.2114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0674    2.6424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7157    1.6769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8846    3.1183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7053    2.6528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5329    3.1493    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5226    4.1045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  8 12  2  0  0  0  0
 10 13  1  0  0  0  0
 10 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,651)
1651

>  <Formula> (1,651)
C17H15N3O2

>  <MolWeight> (1,651)
293.3199

>  <COMPOUND_NAME> (1,651)
WAY-380432

>  <BAR_CODE_NO> (1,651)
2571798

$$$$
WAY-380433
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
    3.6437    1.7530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9422    2.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7323    0.3246    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4298    2.4692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0741    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2905    3.6378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8099    1.1647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6362    3.9644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2003    5.6761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4298    3.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6137    4.3756    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7444    5.1154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2003    6.6559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5008    5.0072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4076    4.2477    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2159    1.7530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1989    1.1647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2159    4.5488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7167    5.6997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5008    3.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9778    5.0918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.8326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7816    2.9433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0014    3.6811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  2  2  0  0  0  0
  8  6  1  0  0  0  0
  9 12  1  0  0  0  0
 10  4  2  0  0  0  0
 11  6  2  0  0  0  0
 12  8  1  0  0  0  0
 13  9  2  0  0  0  0
 14  9  1  0  0  0  0
 15 10  1  0  0  0  0
 16  4  1  0  0  0  0
 17  7  1  0  0  0  0
 18 10  1  0  0  0  0
 19 14  2  0  0  0  0
 20 14  1  0  0  0  0
 21 16  2  0  0  0  0
 22 19  1  0  0  0  0
 23 21  1  0  0  0  0
 24 20  2  0  0  0  0
 25 24  1  0  0  0  0
  7  5  1  0  0  0  0
 23 18  2  0  0  0  0
 25 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,652)
1652

>  <Formula> (1,652)
C19H14ClNO4

>  <MolWeight> (1,652)
355.77176

>  <COMPOUND_NAME> (1,652)
WAY-380433

>  <BAR_CODE_NO> (1,652)
2571733

$$$$
WAY-380449
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    1.8184    0.4619    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6184    0.3723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3184   -0.1691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3839    1.1068    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9494   -0.3794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1322    1.0137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5701    0.0826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6080    0.9102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7632   -0.4691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9598    0.9378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1540   -0.2587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2494    0.1619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8644    0.1723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6023   -0.2070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8264    0.9895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3092    0.1723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6402   -1.0105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0195   -0.2070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3092    0.9757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3644   -1.4174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0471   -0.9691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7954   -1.3656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4402   -0.9036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  9 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
  7  8  1  0  0  0  0
 10 12  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (1,653)
1653

>  <Formula> (1,653)
C18H16N2O3

>  <MolWeight> (1,653)
308.33124

>  <COMPOUND_NAME> (1,653)
WAY-380449

>  <BAR_CODE_NO> (1,653)
2571751

$$$$
WAY-380496
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.9958    0.2125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1958    1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1500    0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958    1.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542    0.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3000   -0.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9708    1.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1125    2.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8958    2.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000    1.0708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5333    1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -1.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6125    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3958    1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167   -0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0333    3.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3333    2.1333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5542   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000   -0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5167    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3708    3.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9708    1.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  3  2  0  0  0  0
  7  2  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  5  2  0  0  0  0
 11 14  1  0  0  0  0
 12 18  2  0  0  0  0
 13  7  1  0  0  0  0
 14 13  2  0  0  0  0
 15  6  1  0  0  0  0
 16  9  1  0  0  0  0
 17 11  1  0  0  0  0
 18 15  1  0  0  0  0
 19 23  2  0  0  0  0
 20 15  2  0  0  0  0
 21 16  1  0  0  0  0
 22 17  1  0  0  0  0
 23 20  1  0  0  0  0
  5  4  1  0  0  0  0
  9 11  2  0  0  0  0
 19 12  1  0  0  0  0
M  END
>  <Mol_ID> (1,654)
1654

>  <Formula> (1,654)
C17H14N2O4

>  <MolWeight> (1,654)
310.30406

>  <COMPOUND_NAME> (1,654)
WAY-380496

>  <BAR_CODE_NO> (1,654)
2571199

$$$$
WAY-380522
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
    0.8417   -0.4667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0542    0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3625   -1.1042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.4667    0.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1875   -1.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3458    0.7833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.6667   -3.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6375   -1.7542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8542    0.5458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4917   -3.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6000    1.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208    1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5625   -0.3292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333    2.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542   -3.9167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542   -2.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0750   -0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9042   -3.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7167   -5.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4792   -4.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7250   -3.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1292   -4.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8917   -5.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167   -1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1292   -6.0667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167   -1.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7167   -6.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  7 16  1  0  0  0  0
  8  5  1  0  0  0  0
  9  2  2  0  0  0  0
 10  7  1  0  0  0  0
 11  4  2  0  0  0  0
 12  6  1  0  0  0  0
 13  5  2  0  0  0  0
 14 11  1  0  0  0  0
 15  7  2  0  0  0  0
 16  8  1  0  0  0  0
 17  1  1  0  0  0  0
 18 10  1  0  0  0  0
 19 22  1  0  0  0  0
 20 18  2  0  0  0  0
 21 18  1  0  0  0  0
 22 21  2  0  0  0  0
 23 20  1  0  0  0  0
 24  3  1  0  0  0  0
 25 19  1  0  0  0  0
 26 17  1  0  0  0  0
 27 25  1  0  0  0  0
 24 26  1  0  0  0  0
 12 14  2  0  0  0  0
 19 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,655)
1655

>  <Formula> (1,655)
C19H20N2O5S

>  <MolWeight> (1,655)
388.4375

>  <COMPOUND_NAME> (1,655)
WAY-380522

>  <BAR_CODE_NO> (1,655)
2571197

$$$$
WAY-380533
csChFnd80/06171916322D

 28 30  0  0  0  0  0  0  0  0999 V2000
    3.8167   -3.9125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.7042   -4.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6792   -1.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9292   -3.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5917   -1.9667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1667   -2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4500   -5.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4750   -1.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7792   -1.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4667   -0.0500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0375   -3.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9292   -1.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2542   -1.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8667   -1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3667   -1.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1500   -1.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1500   -3.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0375   -1.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5917   -3.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6500   -0.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7292    0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8042   -3.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8542   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9792   -1.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917   -4.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6167   -2.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9125   -3.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -3.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  5  1  0  0  0  0
  4  1  1  0  0  0  0
  5  8  1  0  0  0  0
  6  1  2  0  0  0  0
  7  1  2  0  0  0  0
  8 15  1  0  0  0  0
  9  3  2  0  0  0  0
 10  8  2  0  0  0  0
 11  4  1  0  0  0  0
 12  4  2  0  0  0  0
 13 16  1  0  0  0  0
 14  9  1  0  0  0  0
 15 13  1  0  0  0  0
 16 18  2  0  0  0  0
 17 11  2  0  0  0  0
 18 12  1  0  0  0  0
 19  2  1  0  0  0  0
 20  3  1  0  0  0  0
 21 20  2  0  0  0  0
 22  9  1  0  0  0  0
 23 21  1  0  0  0  0
 24 14  1  0  0  0  0
 25 19  1  0  0  0  0
 26 19  1  0  0  0  0
 27 22  2  0  0  0  0
 28 27  1  0  0  0  0
 16 17  1  0  0  0  0
 14 23  2  0  0  0  0
 28 24  2  0  0  0  0
M  END
>  <Mol_ID> (1,656)
1656

>  <Formula> (1,656)
C21H22N2O4S

>  <MolWeight> (1,656)
398.47538

>  <COMPOUND_NAME> (1,656)
WAY-380533

>  <BAR_CODE_NO> (1,656)
2569056

$$$$
WAY-380536
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
    6.6792   -5.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6292   -5.2417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4750   -3.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4292   -4.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.2792   -3.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3250   -4.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7292   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2792   -2.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3375   -3.9625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3792   -3.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5167   -4.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3375   -2.1542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -3.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6292   -4.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5750   -5.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6792   -6.8917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4792   -2.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5750   -3.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5167   -5.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3167   -1.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7292   -4.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7792   -5.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3792   -2.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8292   -4.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7792   -3.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8292   -5.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8792   -3.6125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9292   -4.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3 11  1  0  0  0  0
  4  3  1  0  0  0  0
  5  6  1  0  0  0  0
  6 10  2  0  0  0  0
  7  1  1  0  0  0  0
  8 20  1  0  0  0  0
  9  5  1  0  0  0  0
 10  4  1  0  0  0  0
 11 19  1  0  0  0  0
 12  8  1  0  0  0  0
 13  9  1  0  0  0  0
 14  2  1  0  0  0  0
 15  2  1  0  0  0  0
 16  1  2  0  0  0  0
 17  3  2  0  0  0  0
 18 14  1  0  0  0  0
 19 15  1  0  0  0  0
 20 23  2  0  0  0  0
 21  7  2  0  0  0  0
 22  7  1  0  0  0  0
 23 10  1  0  0  0  0
 24 26  1  0  0  0  0
 25 21  1  0  0  0  0
 26 22  2  0  0  0  0
 27 24  1  0  0  0  0
 28 27  1  0  0  0  0
 24 25  2  0  0  0  0
 11 18  1  0  0  0  0
  5  8  2  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <Mol_ID> (1,657)
1657

>  <Formula> (1,657)
C21H22N2O5

>  <MolWeight> (1,657)
382.40978

>  <COMPOUND_NAME> (1,657)
WAY-380536

>  <BAR_CODE_NO> (1,657)
2569060

$$$$
WAY-380838
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -2.4793    0.2418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4793   -0.5824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6966    0.5107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1966    0.6590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6931   -0.8272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1966   -0.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2069   -0.1582    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4483    1.2935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9103    0.2418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4310   -1.6065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9103   -0.5824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3793   -0.1582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0310   -0.8651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8552   -0.8582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6828   -0.8582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0828   -0.1410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0931   -1.5651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9069   -0.1306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6552    0.5728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3138    0.5935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0690    1.2935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8931    1.3073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1414    0.5935    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.3034    2.0176    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 16 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 22 24  1  0  0  0  0
  5  7  1  0  0  0  0
  9 11  2  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,658)
1658

>  <Formula> (1,658)
C17H11Cl2NO4

>  <MolWeight> (1,658)
364.17954

>  <COMPOUND_NAME> (1,658)
WAY-380838

>  <BAR_CODE_NO> (1,658)
2568308

$$$$
WAY-381221
csChFnd80/06171916322D

 28 30  0  0  0  0  0  0  0  0999 V2000
    0.9542    0.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7417    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4750    1.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9542    1.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7417    1.5583    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4208   -2.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1625   -1.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042    2.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708   -2.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4125    0.2458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2250   -2.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3500    1.1458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042   -0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583   -1.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208   -3.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542    3.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4833   -3.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583   -2.6667    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.9333   -3.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1000   -0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2875   -3.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625    3.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042    3.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5458   -4.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5542    4.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6167    3.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3625    4.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  7  1  0  0  0  0
  7 15  1  0  0  0  0
  8  4  2  0  0  0  0
  9  6  2  0  0  0  0
 10  2  2  0  0  0  0
 11  6  1  0  0  0  0
 12  3  2  0  0  0  0
 13  7  2  0  0  0  0
 14  1  1  0  0  0  0
 15 21  1  0  0  0  0
 16  9  1  0  0  0  0
 17  8  1  0  0  0  0
 18 11  2  0  0  0  0
 19  9  1  0  0  0  0
 20 18  1  0  0  0  0
 21 14  1  0  0  0  0
 22 18  1  0  0  0  0
 23 17  1  0  0  0  0
 24 17  2  0  0  0  0
 25 22  1  0  0  0  0
 26 24  1  0  0  0  0
 27 23  2  0  0  0  0
 28 26  2  0  0  0  0
  5  4  1  0  0  0  0
 27 28  1  0  0  0  0
 20 16  2  0  0  0  0
M  END
>  <Mol_ID> (1,659)
1659

>  <Formula> (1,659)
C20H17BrN2O4S

>  <MolWeight> (1,659)
461.32898

>  <COMPOUND_NAME> (1,659)
WAY-381221

>  <BAR_CODE_NO> (1,659)
2568927

$$$$
WAY-381332
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
    1.7585   -0.9322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0752   -1.1447    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7752   -0.2197    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6752   -0.5572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4415    0.7053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1002    0.0053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0790    1.3095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4377   -1.1697    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4502   -0.0155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0998    0.0845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8627   -0.5947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3873    0.0678    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4248    1.9303    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0373   -0.5530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3748    1.3053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1498    0.7095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4623   -0.5197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5123    0.1053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1665   -0.5155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5 10  1  0  0  0  0
  6  3  1  0  0  0  0
  7  5  1  0  0  0  0
  8  1  1  0  0  0  0
  9  3  1  0  0  0  0
 10 12  1  0  0  0  0
 11  8  1  0  0  0  0
 12 14  1  0  0  0  0
 13  7  2  0  0  0  0
 14  4  1  0  0  0  0
 15  7  1  0  0  0  0
 16  5  2  0  0  0  0
 17 10  2  0  0  0  0
 18 19  2  0  0  0  0
 19 17  1  0  0  0  0
  9 11  2  0  0  0  0
  4  6  2  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,660)
1660

>  <Formula> (1,660)
C13H10N2O2S2

>  <MolWeight> (1,660)
290.3607

>  <COMPOUND_NAME> (1,660)
WAY-381332

>  <BAR_CODE_NO> (1,660)
2572400

$$$$
WAY-381347
csChFnd80/06171916322D

 22 23  0  0  0  0  0  0  0  0999 V2000
    1.9292    0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1750   -0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4750    1.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8250    0.3208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792   -0.4625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6042    0.3208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4875    1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042    1.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6250   -1.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2750   -0.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5125    2.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0125    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708    3.8583    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.0792   -1.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4417   -2.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9792   -1.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000   -3.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3417   -2.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4500   -4.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8000   -3.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3500   -4.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 10  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  2  0  0  0  0
  6  2  2  0  0  0  0
  7  3  2  0  0  0  0
  8  3  1  0  0  0  0
  9  2  1  0  0  0  0
 10  4  1  0  0  0  0
 11 12  1  0  0  0  0
 12  8  2  0  0  0  0
 13  7  1  0  0  0  0
 14 11  1  0  0  0  0
 15  9  1  0  0  0  0
 16 17  1  0  0  0  0
 17 15  1  0  0  0  0
 18 16  1  0  0  0  0
 19 16  2  0  0  0  0
 20 18  2  0  0  0  0
 21 19  1  0  0  0  0
 22 21  2  0  0  0  0
 13 11  2  0  0  0  0
 22 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,661)
1661

>  <Formula> (1,661)
C17H16BrNO3

>  <MolWeight> (1,661)
362.21784

>  <COMPOUND_NAME> (1,661)
WAY-381347

>  <BAR_CODE_NO> (1,661)
2571807

$$$$
WAY-381413
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
    1.3125   -0.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6042   -0.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3167   -1.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3167    0.2208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0375   -0.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6042   -1.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3125   -1.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0250    0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0375   -1.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292    0.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8917    0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8917   -1.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292   -1.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7542    0.2208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7417   -0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167    1.0458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417   -0.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1792   -0.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4625    0.2208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1792   -1.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3167   -2.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9167   -1.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542   -2.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0292   -2.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7500   -2.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0292   -3.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667   -2.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 11  2  0  0  0  0
  3  6  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6 12  2  0  0  0  0
  7  1  1  0  0  0  0
  8  1  1  0  0  0  0
  9  3  2  0  0  0  0
 10  1  1  0  0  0  0
 11 18  1  0  0  0  0
 12 20  1  0  0  0  0
 13  7  2  0  0  0  0
 14  5  2  0  0  0  0
 15  8  1  0  0  0  0
 16  8  2  0  0  0  0
 17 10  1  0  0  0  0
 18 19  1  0  0  0  0
 19 15  1  0  0  0  0
 20 18  2  0  0  0  0
 21  3  1  0  0  0  0
 22  7  1  0  0  0  0
 23 13  1  0  0  0  0
 24 21  1  0  0  0  0
 25 22  2  0  0  0  0
 26 24  1  0  0  0  0
 27 25  1  0  0  0  0
 13 17  1  0  0  0  0
 27 23  2  0  0  0  0
  6  2  1  0  0  0  0
  5  9  1  0  0  0  0
M  END
>  <Mol_ID> (1,662)
1662

>  <Formula> (1,662)
C22H21NO4

>  <MolWeight> (1,662)
363.40644

>  <COMPOUND_NAME> (1,662)
WAY-381413

>  <BAR_CODE_NO> (1,662)
2571874

$$$$
WAY-381441
csChFnd80/06171916322D

 29 31  0  0  0  0  0  0  0  0999 V2000
    5.7500   -3.8125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.4667   -3.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917   -3.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0417   -3.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6167   -3.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9000   -3.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3292   -3.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1792   -3.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3417   -4.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1167   -4.4417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4667   -3.7792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6250   -2.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042   -2.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8917   -3.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0417   -2.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3375   -2.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542   -3.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8875   -2.5667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1792   -4.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9125   -2.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6000   -3.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5917   -2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667   -2.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8875   -5.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6042   -4.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542   -2.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708   -3.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583   -2.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  6  1  0  0  0  0
  4  1  1  0  0  0  0
  5  7  1  0  0  0  0
  6  5  1  0  0  0  0
  7  4  2  0  0  0  0
  8  2  1  0  0  0  0
  9  1  2  0  0  0  0
 10  1  2  0  0  0  0
 11  3  1  0  0  0  0
 12 16  1  0  0  0  0
 13  3  2  0  0  0  0
 14  8  1  0  0  0  0
 15  4  1  0  0  0  0
 16 15  2  0  0  0  0
 17 11  1  0  0  0  0
 18 14  1  0  0  0  0
 19  8  2  0  0  0  0
 20 12  1  0  0  0  0
 21 14  2  0  0  0  0
 22 18  1  0  0  0  0
 23 17  1  0  0  0  0
 24 17  1  0  0  0  0
 25 19  1  0  0  0  0
 26 25  2  0  0  0  0
 27 23  1  0  0  0  0
 28 24  1  0  0  0  0
 29 28  1  0  0  0  0
 12  5  2  0  0  0  0
 21 26  1  0  0  0  0
 27 29  1  0  0  0  0
M  END
>  <Mol_ID> (1,663)
1663

>  <Formula> (1,663)
C21H27N3O4S

>  <MolWeight> (1,663)
417.52178

>  <COMPOUND_NAME> (1,663)
WAY-381441

>  <BAR_CODE_NO> (1,663)
2571942

$$$$
WAY-381505
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
    6.8167   -5.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2292   -6.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9750   -5.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2292   -5.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0500   -6.4792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5667   -5.0417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7375   -3.6167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0500   -5.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4625   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3250   -2.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8042   -7.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5542   -6.4875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9792   -4.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7375   -5.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3250   -4.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5667   -3.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7375   -2.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5542   -2.1792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4917   -2.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4667   -4.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2875   -5.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3250   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9667   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0792   -2.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7167   -5.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2917   -4.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4917   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7 15  1  0  0  0  0
  8  4  1  0  0  0  0
  9  8  2  0  0  0  0
 10  7  1  0  0  0  0
 11  2  2  0  0  0  0
 12  3  2  0  0  0  0
 13  6  1  0  0  0  0
 14  6  1  0  0  0  0
 15 14  1  0  0  0  0
 16 13  1  0  0  0  0
 17 10  2  0  0  0  0
 18 17  1  0  0  0  0
 19 10  1  0  0  0  0
 20  8  1  0  0  0  0
 21  9  1  0  0  0  0
 22 17  1  0  0  0  0
 23 18  1  0  0  0  0
 24 19  2  0  0  0  0
 25 26  1  0  0  0  0
 26 20  2  0  0  0  0
 27 24  1  0  0  0  0
  9  5  1  0  0  0  0
  7 16  1  0  0  0  0
 25 21  2  0  0  0  0
 22 27  2  0  0  0  0
M  END
>  <Mol_ID> (1,664)
1664

>  <Formula> (1,664)
C21H20N2O4

>  <MolWeight> (1,664)
364.3945

>  <COMPOUND_NAME> (1,664)
WAY-381505

>  <BAR_CODE_NO> (1,664)
2571904

$$$$
WAY-381509
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   12.0917  -14.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1000  -15.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0500  -11.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4292  -15.5167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.7417  -12.0167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.7500  -13.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7792  -14.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2500  -11.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7500  -15.5125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7792  -15.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3917  -12.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4042  -14.3750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.1250  -10.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8667  -10.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7500  -13.2375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.4042  -15.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4000  -12.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7417  -11.7250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -11.5292    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.1250  -15.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4667  -15.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3 11  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  1  1  0  0  0  0
  8  5  1  0  0  0  0
  9  2  1  0  0  0  0
 10  7  2  0  0  0  0
 11 17  1  0  0  0  0
 12  6  2  0  0  0  0
 13  3  2  0  0  0  0
 14 13  1  0  0  0  0
 15  6  1  0  0  0  0
 16 12  1  0  0  0  0
 17 15  1  0  0  0  0
 18 11  2  0  0  0  0
 19  8  1  0  0  0  0
 20 10  1  0  0  0  0
 21 20  1  0  0  0  0
  4 10  1  0  0  0  0
 16  9  2  0  0  0  0
 14  8  2  0  0  0  0
M  END
>  <Mol_ID> (1,665)
1665

>  <Formula> (1,665)
C14H11ClN2OS3

>  <MolWeight> (1,665)
354.89794

>  <COMPOUND_NAME> (1,665)
WAY-381509

>  <BAR_CODE_NO> (1,665)
2571918

$$$$
WAY-381510
csChFnd80/06171916322D

 16 17  0  0  0  0  0  0  0  0999 V2000
    2.1000   -0.5292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542    0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2750   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6875    0.7458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7875   -1.1917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1417    0.5125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0167    0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6708   -0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3625   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5125   -1.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3333   -1.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833   -0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4958   -0.8417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8250   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6458   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  2  0  0  0  0
  6  2  2  0  0  0  0
  7  3  1  0  0  0  0
  8  5  1  0  0  0  0
  9 12  1  0  0  0  0
 10  8  2  0  0  0  0
 11  8  1  0  0  0  0
 12 11  2  0  0  0  0
 13 10  1  0  0  0  0
 14  9  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
  7  4  1  0  0  0  0
  9 13  2  0  0  0  0
M  END
>  <Mol_ID> (1,666)
1666

>  <Formula> (1,666)
C11H12N2O2S

>  <MolWeight> (1,666)
236.29018

>  <COMPOUND_NAME> (1,666)
WAY-381510

>  <BAR_CODE_NO> (1,666)
2571919

$$$$
WAY-381545
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
    4.4792   -1.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4792   -1.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1792   -1.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1792   -1.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8292   -2.3667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1292   -2.3667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7792   -1.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0625   -0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6417   -0.0750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4292   -2.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5292   -2.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6000   -0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7792   -1.2417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4250   -3.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0667   -1.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7250   -3.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7167   -2.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0750   -3.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3750   -3.4917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8792   -1.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5292   -3.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8125    0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042   -0.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3750   -4.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2292    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167   -0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2292   -2.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8875   -3.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2292   -3.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4292    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  5  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  2  1  0  0  0  0
  9  8  3  0  0  0  0
 10  7  1  0  0  0  0
 11  3  1  0  0  0  0
 12  4  1  0  0  0  0
 13  7  2  0  0  0  0
 14 10  2  0  0  0  0
 15 10  1  0  0  0  0
 16 17  1  0  0  0  0
 17 15  2  0  0  0  0
 18 14  1  0  0  0  0
 19 16  1  0  0  0  0
 20 11  2  0  0  0  0
 21 11  1  0  0  0  0
 22 12  2  0  0  0  0
 23 12  1  0  0  0  0
 24 19  1  0  0  0  0
 25 22  1  0  0  0  0
 26 23  2  0  0  0  0
 27 20  1  0  0  0  0
 28 21  2  0  0  0  0
 29 28  1  0  0  0  0
 30 26  1  0  0  0  0
  3  4  2  0  0  0  0
 16 18  2  0  0  0  0
 29 27  2  0  0  0  0
 30 25  2  0  0  0  0
M  END
>  <Mol_ID> (1,667)
1667

>  <Formula> (1,667)
C25H18N2O3

>  <MolWeight> (1,667)
394.42202

>  <COMPOUND_NAME> (1,667)
WAY-381545

>  <BAR_CODE_NO> (1,667)
2572283

$$$$
WAY-381546
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -0.8708    1.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4125    1.8458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833    0.7958    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000    1.6708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1042    1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7625    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9708    1.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2375    1.8625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6167    0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2333    0.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792    0.9833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.2500    0.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8792    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3792    1.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1875    0.5458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6458    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667    1.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9000    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0958    1.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3833   -0.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7667    0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0167    2.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0500    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5 12  1  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8  5  2  0  0  0  0
  9  5  1  0  0  0  0
 10  4  1  0  0  0  0
 11  6  1  0  0  0  0
 12 18  1  0  0  0  0
 13  9  2  0  0  0  0
 14  8  1  0  0  0  0
 15 13  1  0  0  0  0
 16 10  2  0  0  0  0
 17  7  1  0  0  0  0
 18 10  1  0  0  0  0
 19 11  2  0  0  0  0
 20 17  2  0  0  0  0
 21 19  1  0  0  0  0
 22 13  1  0  0  0  0
 23 14  1  0  0  0  0
 24 21  1  0  0  0  0
  6  7  2  0  0  0  0
 19 20  1  0  0  0  0
 14 15  2  0  0  0  0
M  END
>  <Mol_ID> (1,668)
1668

>  <Formula> (1,668)
C16H16N4O2S2

>  <MolWeight> (1,668)
360.45384

>  <COMPOUND_NAME> (1,668)
WAY-381546

>  <BAR_CODE_NO> (1,668)
2572281

$$$$
WAY-381696
csChFnd80/06171916322D

 30 34  0  0  0  0  0  0  0  0999 V2000
    6.0500   -1.0375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.6417   -1.2542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.9917   -3.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6375   -2.3042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.2792   -0.7417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2042   -4.0167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8250   -1.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8167   -2.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2792   -2.8125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4042   -1.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6792   -2.7750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3167   -3.2917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0250   -4.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8417   -1.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1792   -1.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6792   -0.5167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5875   -1.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4042   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0542   -2.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6792   -4.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4167   -0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4000   -3.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2000   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8417   -2.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4167   -1.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6000   -0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5792   -3.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1750   -2.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1875   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2167   -1.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  9  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8  4  1  0  0  0  0
  9  4  1  0  0  0  0
 10  7  1  0  0  0  0
 11  3  2  0  0  0  0
 12 11  1  0  0  0  0
 13  6  1  0  0  0  0
 14  1  1  0  0  0  0
 15  1  2  0  0  0  0
 16  1  2  0  0  0  0
 17 10  2  0  0  0  0
 18 14  1  0  0  0  0
 19 14  2  0  0  0  0
 20  6  1  0  0  0  0
 21  7  2  0  0  0  0
 22  8  2  0  0  0  0
 23 18  2  0  0  0  0
 24 19  1  0  0  0  0
 25 24  2  0  0  0  0
 26 21  1  0  0  0  0
 27 22  1  0  0  0  0
 28 17  1  0  0  0  0
 29 26  2  0  0  0  0
 30 25  1  0  0  0  0
 25 23  1  0  0  0  0
  8 10  1  0  0  0  0
 29 17  1  0  0  0  0
 28 27  2  0  0  0  0
 13 12  2  0  0  0  0
M  END
>  <Mol_ID> (1,669)
1669

>  <Formula> (1,669)
C22H20N4O2S2

>  <MolWeight> (1,669)
436.5498

>  <COMPOUND_NAME> (1,669)
WAY-381696

>  <BAR_CODE_NO> (1,669)
2572224

$$$$
WAY-381745
csChFnd80/06171916322D

 20 21  0  0  0  0  0  0  0  0999 V2000
    2.0875    1.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2417   -0.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2417    3.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0792   -2.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2542   -4.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5542   -0.5417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667    5.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667   -2.5542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6250   -4.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7250   -2.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2292   -0.5292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8292    3.4458    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   13.7375   -6.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.5292    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083    1.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1417   -6.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2542   -8.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1708    5.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6250   -8.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208    3.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4 10  1  0  0  0  0
  5  4  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  2  0  0  0  0
  8  2  2  0  0  0  0
  9  5  2  0  0  0  0
 10  6  1  0  0  0  0
 11  4  2  0  0  0  0
 12  3  1  0  0  0  0
 13  9  1  0  0  0  0
 14 13  1  0  0  0  0
 15  1  2  0  0  0  0
 16  5  1  0  0  0  0
 17 16  2  0  0  0  0
 18 20  2  0  0  0  0
 19 17  1  0  0  0  0
 20 15  1  0  0  0  0
  7 18  1  0  0  0  0
 13 19  2  0  0  0  0
M  END
>  <Mol_ID> (1,670)
1670

>  <Formula> (1,670)
C14H9Cl2NO3

>  <MolWeight> (1,670)
310.13216

>  <COMPOUND_NAME> (1,670)
WAY-381745

>  <BAR_CODE_NO> (1,670)
2572991

$$$$
WAY-381755
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -2.1424    3.5538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1424    2.7278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4270    2.3148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7117    2.7278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7117    3.5538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4270    3.9668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4270    1.4916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1424    1.0786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1424    0.2526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4270   -0.1604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7117    0.2526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7117    1.0786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4270   -0.9836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7142   -1.3952    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1399   -1.3952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0013   -0.9836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7116   -1.3952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7116   -2.2212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4269   -2.6342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1423   -2.2212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1423   -1.3952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4269   -0.9822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8552   -0.9836    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5680   -1.3952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8552   -2.6328    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5680   -2.2212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12  7  2  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 20 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (1,671)
1671

>  <Formula> (1,671)
C22H21NO3

>  <MolWeight> (1,671)
347.40704

>  <COMPOUND_NAME> (1,671)
WAY-381755

>  <BAR_CODE_NO> (1,671)
2572135

$$$$
WAY-381781
csChFnd80/06171916322D

 23 26  0  0  0  0  0  0  0  0999 V2000
   -1.4022   -0.0337    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4022    0.5633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8322   -0.2197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4752    0.2633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8322    0.7493    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9152   -0.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9152    0.8633    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0308   -0.2617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4448   -0.6997    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3338    0.2513    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4402   -0.0337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4402    0.5633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9728   -0.4597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9278    0.1193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1218    0.2513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4338   -0.2617    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6342   -0.8047    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.9152   -0.9397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5128   -0.7177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9802    0.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4258    0.4643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9688    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0108   -0.3787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  3  4  2  0  0  0  0
  5  2  2  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8 16  1  0  0  0  0
  8  9  2  0  0  0  0
 10  8  1  0  0  0  0
 11  6  2  0  0  0  0
 12 11  1  0  0  0  0
 13  9  1  0  0  0  0
 14 10  1  0  0  0  0
 15  4  1  0  0  0  0
 16 15  1  0  0  0  0
 17  3  1  0  0  0  0
 18  6  1  0  0  0  0
 19 13  1  0  0  0  0
 20 12  1  0  0  0  0
 21 14  1  0  0  0  0
 22 21  2  0  0  0  0
 19 23  2  0  0  0  0
  5  4  1  0  0  0  0
  7 12  2  0  0  0  0
 14 13  2  0  0  0  0
 23 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,672)
1672

>  <Formula> (1,672)
C16H13BrN4S2

>  <MolWeight> (1,672)
405.33522

>  <COMPOUND_NAME> (1,672)
WAY-381781

>  <BAR_CODE_NO> (1,672)
2572188

$$$$
WAY-381807
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
    6.0042   -4.5625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -8.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6625   -8.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6792   -4.1667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.0000   -8.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3292   -4.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3292   -9.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3292   -7.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0042   -5.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6542   -8.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3292   -3.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6750   -3.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6750   -7.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3167   -6.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3250  -10.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3375   -5.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6792   -5.7167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6667   -6.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3417   -6.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875   -6.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9917   -7.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3542   -4.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6625   -4.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6625   -3.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9917   -4.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9917   -3.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 13  1  0  0  0  0
  3  8  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  5  1  0  0  0  0
  8 14  1  0  0  0  0
  9  1  1  0  0  0  0
 10  3  2  0  0  0  0
 11  6  1  0  0  0  0
 12  4  1  0  0  0  0
 13 18  2  0  0  0  0
 14 20  2  0  0  0  0
 15  7  2  0  0  0  0
 16  9  1  0  0  0  0
 17  9  2  0  0  0  0
 18 19  1  0  0  0  0
 19 16  1  0  0  0  0
 20 18  1  0  0  0  0
 21  3  1  0  0  0  0
 22  4  1  0  0  0  0
 23  6  2  0  0  0  0
 24 11  2  0  0  0  0
 25 23  1  0  0  0  0
 26 25  2  0  0  0  0
 12 11  1  0  0  0  0
 26 24  1  0  0  0  0
  8  2  2  0  0  0  0
  7 10  1  0  0  0  0
M  END
>  <Mol_ID> (1,673)
1673

>  <Formula> (1,673)
C21H19NO4

>  <MolWeight> (1,673)
349.37986

>  <COMPOUND_NAME> (1,673)
WAY-381807

>  <BAR_CODE_NO> (1,673)
2572206

$$$$
WAY-381875
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
    4.5042   -4.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5667   -5.2792    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.7292   -3.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1667   -3.4875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792   -5.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5875   -3.8917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2417   -6.1917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2375   -5.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -4.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6542   -5.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1417   -2.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0125   -6.4042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4042   -3.7042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9750   -5.6542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5167   -2.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7417   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4667   -6.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5167   -4.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3750   -5.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7167   -1.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4917   -1.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0917   -1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3542   -5.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0625   -0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2167   -4.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6417   -4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  9  2  0  0  0  0
  7  5  1  0  0  0  0
  8  2  1  0  0  0  0
  9  1  1  0  0  0  0
 10  8  2  0  0  0  0
 11  4  1  0  0  0  0
 12  5  2  0  0  0  0
 13  3  1  0  0  0  0
 14  2  1  0  0  0  0
 15 11  2  0  0  0  0
 16 11  1  0  0  0  0
 17  7  1  0  0  0  0
 18  8  1  0  0  0  0
 19  9  1  0  0  0  0
 20 16  2  0  0  0  0
 21 15  1  0  0  0  0
 22 20  1  0  0  0  0
 23 10  1  0  0  0  0
 24 22  1  0  0  0  0
 25 18  2  0  0  0  0
 26 25  1  0  0  0  0
  6  4  1  0  0  0  0
 10  7  1  0  0  0  0
 23 26  2  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,674)
1674

>  <Formula> (1,674)
C20H20N4O2

>  <MolWeight> (1,674)
348.3984

>  <COMPOUND_NAME> (1,674)
WAY-381875

>  <BAR_CODE_NO> (1,674)
2572316

$$$$
WAY-381920
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    3.8917   -8.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0375   -4.4917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4667   -8.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8875   -9.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1667   -9.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1792   -7.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4625   -9.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0292   -5.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6042   -7.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1750   -6.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3250   -4.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1667  -10.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3167   -5.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7417   -5.7250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6042   -6.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3167   -6.5542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8792   -6.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7500   -4.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7625   -7.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3250   -3.2542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.7500   -3.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0375   -2.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6000   -2.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  8  1  0  0  0  0
  3  6  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  1  2  0  0  0  0
  7  3  2  0  0  0  0
  8 13  1  0  0  0  0
  9  1  1  0  0  0  0
 10  6  1  0  0  0  0
 11  2  1  0  0  0  0
 12  5  2  0  0  0  0
 13 16  1  0  0  0  0
 14  8  2  0  0  0  0
 15  9  2  0  0  0  0
 16 15  1  0  0  0  0
 17 15  1  0  0  0  0
 18  2  1  0  0  0  0
 19  3  1  0  0  0  0
 20 11  1  0  0  0  0
 21 18  1  0  0  0  0
 22 21  1  0  0  0  0
 23 20  1  0  0  0  0
 10 17  2  0  0  0  0
  7  5  1  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,675)
1675

>  <Formula> (1,675)
C18H21NO4

>  <MolWeight> (1,675)
315.36364

>  <COMPOUND_NAME> (1,675)
WAY-381920

>  <BAR_CODE_NO> (1,675)
2572469

$$$$
WAY-381922
csChFnd80/06171916322D

 20 21  0  0  0  0  0  0  0  0999 V2000
    9.7792    2.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3167    2.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4292    3.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0542    3.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9667    3.7958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5042    1.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1417    5.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5750    1.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6042    3.8333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4792    6.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3917    5.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5292    3.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9542    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1000    2.6750    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    6.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.1542    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.6792    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.2167    3.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6917    2.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5417    5.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  7  2  0  0  0  0
  4  3  1  0  0  0  0
  5 12  2  0  0  0  0
  6  1  2  0  0  0  0
  7 20  1  0  0  0  0
  8  2  2  0  0  0  0
  9  2  1  0  0  0  0
 10  7  1  0  0  0  0
 11 15  1  0  0  0  0
 12  1  1  0  0  0  0
 13  6  1  0  0  0  0
 14  3  1  0  0  0  0
 15 10  2  0  0  0  0
 16 11  1  0  0  0  0
 17 13  1  0  0  0  0
 18  9  1  0  0  0  0
 19  5  1  0  0  0  0
 20 18  1  0  0  0  0
 19 13  2  0  0  0  0
  4 11  2  0  0  0  0
M  END
>  <Mol_ID> (1,676)
1676

>  <Formula> (1,676)
C14H11BrCl2N2O

>  <MolWeight> (1,676)
374.05994

>  <COMPOUND_NAME> (1,676)
WAY-381922

>  <BAR_CODE_NO> (1,676)
2572471

$$$$
WAY-381924
csChFnd80/06171916322D

 21 22  0  0  0  0  0  0  0  0999 V2000
    1.6300   -0.3471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1555    0.2613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8776   -0.0244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8262   -1.1497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7477    0.9701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9842    0.1719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9452    0.7934    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2352   -1.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6091   -1.3656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0748    1.7203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4480   -1.4964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5574   -0.0287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1623   -0.4453    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5574    0.8021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9967   -0.0309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7164   -0.4475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9967    0.7978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2770   -0.4453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4360   -0.0331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7186    1.2143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4404    0.7978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  8 11  1  0  0  0  0
  5  7  1  0  0  0  0
 13  3  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  2  0  0  0  0
 19 21  2  0  0  0  0
 20 21  1  0  0  0  0
 12 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,677)
1677

>  <Formula> (1,677)
C16H17NO3S

>  <MolWeight> (1,677)
303.37608

>  <COMPOUND_NAME> (1,677)
WAY-381924

>  <BAR_CODE_NO> (1,677)
2572473

$$$$
WAY-381934
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
    5.5542   -2.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7625   -3.4542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.5375   -1.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0042   -2.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7917   -1.6667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3125   -4.0917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8000   -2.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5167   -3.6875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.7792   -4.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8000   -2.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1542   -1.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5167   -4.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9417   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1542   -1.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3667   -1.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5375   -5.4917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2292   -2.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0167   -2.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5167   -4.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3042   -0.5667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1542   -1.8917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2750   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4250   -1.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8750    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5167   -1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2167   -3.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4292   -3.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7917   -0.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6375    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9042   -0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  2  0  0  0  0
  4  1  1  0  0  0  0
  5  7  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  2  0  0  0  0
  8  2  1  0  0  0  0
  9  6  1  0  0  0  0
 10  4  1  0  0  0  0
 11 10  1  0  0  0  0
 12  8  1  0  0  0  0
 13 11  2  0  0  0  0
 14  5  1  0  0  0  0
 15 18  2  0  0  0  0
 16  9  2  0  0  0  0
 17 10  2  0  0  0  0
 18 17  1  0  0  0  0
 19  6  1  0  0  0  0
 20 13  1  0  0  0  0
 21 15  1  0  0  0  0
 22 14  2  0  0  0  0
 23 14  1  0  0  0  0
 24 20  1  0  0  0  0
 25 21  1  0  0  0  0
 26 19  1  0  0  0  0
 27 26  1  0  0  0  0
 28 23  2  0  0  0  0
 29 22  1  0  0  0  0
 30 28  1  0  0  0  0
  3  5  1  0  0  0  0
  9 12  1  0  0  0  0
 13 15  1  0  0  0  0
 29 30  2  0  0  0  0
M  END
>  <Mol_ID> (1,678)
1678

>  <Formula> (1,678)
C23H25N3O3S

>  <MolWeight> (1,678)
423.5279

>  <COMPOUND_NAME> (1,678)
WAY-381934

>  <BAR_CODE_NO> (1,678)
2572481

$$$$
WAY-381953
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -0.8833  -14.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8875  -13.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4500  -14.7417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208  -13.9917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208  -14.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583  -13.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208  -14.7417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7500  -14.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7500  -14.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792  -15.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167  -14.7417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8500  -15.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7417  -15.4542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583  -13.2417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167  -15.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292  -14.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667  -15.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167  -13.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8500  -16.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8250  -14.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8500  -13.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792  -13.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1833  -14.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6125  -14.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5  3  2  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  7  1  0  0  0  0
 10 12  1  0  0  0  0
 11  5  1  0  0  0  0
 12 15  1  0  0  0  0
 13 10  1  0  0  0  0
 14  6  2  0  0  0  0
 15 11  1  0  0  0  0
 16 10  2  0  0  0  0
 17 13  1  0  0  0  0
 18  4  1  0  0  0  0
 19 12  2  0  0  0  0
 20 16  1  0  0  0  0
 21 18  1  0  0  0  0
 22 21  2  0  0  0  0
 23  9  1  0  0  0  0
 24 23  1  0  0  0  0
  9  8  2  0  0  0  0
  6  4  1  0  0  0  0
 20 17  2  0  0  0  0
M  END
>  <Mol_ID> (1,679)
1679

>  <Formula> (1,679)
C17H16N2O2S3

>  <MolWeight> (1,679)
376.51614

>  <COMPOUND_NAME> (1,679)
WAY-381953

>  <BAR_CODE_NO> (1,679)
2572391

$$$$
WAY-381959
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -1.9654    0.4097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6896   -0.3385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3170    0.8856    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7620    0.5615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9102   -0.3385    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2377   -0.9385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6723    0.3994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2896   -0.0385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0378   -0.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0588    0.6511    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5861   -1.3972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6587    0.1235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3861   -1.2213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4105    0.3994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4899   -0.6213    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0140   -0.1351    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.7761    0.1373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9278    0.9373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3830   -0.3972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6968    1.1787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1381   -0.1351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3001    0.6615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  6  9  2  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
  5  7  1  0  0  0  0
  8  9  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,680)
1680

>  <Formula> (1,680)
C16H14N2O2S2

>  <MolWeight> (1,680)
330.42456

>  <COMPOUND_NAME> (1,680)
WAY-381959

>  <BAR_CODE_NO> (1,680)
2572382

$$$$
WAY-382015
csChFnd80/06171916322D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -1.5407    0.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1385    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9490    1.2208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4718   -0.5167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9407    0.0833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8657    0.6583    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5365    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4635    0.6583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1510   -0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6532    0.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1385   -1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6490    0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4843    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4885   -1.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1510   -1.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1510    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4968   -0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  2  2  0  0  0  0
  9  4  1  0  0  0  0
 10  3  1  0  0  0  0
 11  4  1  0  0  0  0
 12  5  1  0  0  0  0
 13  9  2  0  0  0  0
 14  9  1  0  0  0  0
 15 14  2  0  0  0  0
 16 13  1  0  0  0  0
 17 15  1  0  0  0  0
 10 12  1  0  0  0  0
 17 16  2  0  0  0  0
M  END
>  <Mol_ID> (1,681)
1681

>  <Formula> (1,681)
C12H14N2OS2

>  <MolWeight> (1,681)
266.38236

>  <COMPOUND_NAME> (1,681)
WAY-382015

>  <BAR_CODE_NO> (1,681)
2572421

$$$$
WAY-382330
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
   10.3417    4.8167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.0875    3.6208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6042    6.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0792    7.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3625    8.3750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4792    7.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1917    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1375    4.0875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5500    5.5625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5417    1.2125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167    7.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4917    3.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4125    2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3542    7.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0042    8.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4000    5.9375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292    8.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2167    2.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1292    1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042    9.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3500    6.0292    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3292    9.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2875    7.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2875    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1417    8.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5417    8.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  6  1  0  0  0  0
  5  4  1  0  0  0  0
  6  7  1  0  0  0  0
  7  3  2  0  0  0  0
  8  1  2  0  0  0  0
  9  1  2  0  0  0  0
 10 19  1  0  0  0  0
 11 14  1  0  0  0  0
 12  2  1  0  0  0  0
 13  2  1  0  0  0  0
 14 15  2  0  0  0  0
 15  5  1  0  0  0  0
 16  4  2  0  0  0  0
 17 20  1  0  0  0  0
 18 12  1  0  0  0  0
 19 13  1  0  0  0  0
 20 22  2  0  0  0  0
 21 11  1  0  0  0  0
 22 15  1  0  0  0  0
 23  3  1  0  0  0  0
 24 10  1  0  0  0  0
 25 26  1  0  0  0  0
 26 23  2  0  0  0  0
 27 17  1  0  0  0  0
 18 10  1  0  0  0  0
 25  6  2  0  0  0  0
 11 17  2  0  0  0  0
M  END
>  <Mol_ID> (1,682)
1682

>  <Formula> (1,682)
C19H22FN3O3S

>  <MolWeight> (1,682)
391.4596832

>  <COMPOUND_NAME> (1,682)
WAY-382330

>  <BAR_CODE_NO> (1,682)
2572963

$$$$
WAY-382098
csChFnd80/06171916322D

 28 29  0  0  0  0  0  0  0  0999 V2000
    0.5417  -14.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5042  -12.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4250   -9.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3792   -7.3375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542   -9.1042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4250  -10.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4750  -12.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3667   -5.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6375    1.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917  -10.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6333   -0.6292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5833   -4.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6333    1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6958    2.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3250   -3.9375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5583   -5.7625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2792  -15.2167    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208  -16.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1750  -13.2917    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.3875   -4.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5958   -2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6250    2.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4042   -5.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4125  -10.7167    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.7125    4.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6875    4.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5833   -0.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7500    6.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  5  2  0  0  0  0
  4  3  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  2  0  0  0  0
  7  2  1  0  0  0  0
  8  4  1  0  0  0  0
  9 11  1  0  0  0  0
 10  2  2  0  0  0  0
 11 21  1  0  0  0  0
 12 20  1  0  0  0  0
 13  9  1  0  0  0  0
 14  9  2  0  0  0  0
 15  8  2  0  0  0  0
 16 12  2  0  0  0  0
 17  1  1  0  0  0  0
 18  1  1  0  0  0  0
 19  1  1  0  0  0  0
 20 23  1  0  0  0  0
 21 12  1  0  0  0  0
 22 13  2  0  0  0  0
 23  8  1  0  0  0  0
 24  6  1  0  0  0  0
 25 14  1  0  0  0  0
 26 25  2  0  0  0  0
 27 13  1  0  0  0  0
 28 25  1  0  0  0  0
  6  3  1  0  0  0  0
 26 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,683)
1683

>  <Formula> (1,683)
C18H16ClF3N2O3S

>  <MolWeight> (1,683)
432.8444496

>  <COMPOUND_NAME> (1,683)
WAY-382098

>  <BAR_CODE_NO> (1,683)
2572566

$$$$
WAY-382195
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
    0.0208   -1.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5415   -0.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5585   -0.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0208   -1.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5208   -0.1069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0932   -1.0069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9792   -0.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9171   -1.3586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5585   -1.8207    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5415   -1.9586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0587    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0587    0.2931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0932   -1.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5792   -0.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8171    0.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8932    0.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6311   -0.0345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3035    0.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9965   -0.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2413    0.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2932    1.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8171    0.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0794    1.8655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8932    1.1931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2585    0.8931    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.4587    1.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2208    2.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  2  0  0  0  0
 11 16  2  0  0  0  0
 11 17  1  0  0  0  0
 12 18  2  0  0  0  0
 14 19  2  0  0  0  0
 15 20  1  0  0  0  0
 16 21  1  0  0  0  0
 19 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  2  0  0  0  0
 22 25  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
  8  9  1  0  0  0  0
 10 13  2  0  0  0  0
 16 18  1  0  0  0  0
 20 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,684)
1684

>  <Formula> (1,684)
C18H14FN5O2S

>  <MolWeight> (1,684)
383.3994632

>  <COMPOUND_NAME> (1,684)
WAY-382195

>  <BAR_CODE_NO> (1,684)
2572854

$$$$
WAY-382236
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
    1.4246   -0.6576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6106   -0.0846    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1904   -0.2016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2106   -0.0846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5054    0.7854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8546   -0.8466    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7604   -0.3846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2074    0.0234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0644    0.3864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9106   -1.0086    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0784    0.6084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3966   -0.6576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2846   -1.0296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7464   -0.6036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4974    0.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7774   -0.1596    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5646    0.3984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1616   -1.6176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1734   -0.4176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7294   -0.8196    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1624   -0.6306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0534    0.1704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3794    1.3764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1556    0.3324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3156    0.9414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6636    1.4244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5096    0.8184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2636    1.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3 14  1  0  0  0  0
  4  2  1  0  0  0  0
  5  9  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  7  1  0  0  0  0
  9 15  1  0  0  0  0
 10  1  1  0  0  0  0
  5 11  2  0  0  0  0
 12 10  1  0  0  0  0
 13  6  1  0  0  0  0
 14 19  2  0  0  0  0
 22 15  2  0  0  0  0
 16  8  2  0  0  0  0
 17  4  1  0  0  0  0
 18 13  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 13  1  0  0  0  0
 22 19  1  0  0  0  0
 23  5  1  0  0  0  0
 17 24  2  0  0  0  0
 25 17  1  0  0  0  0
 26 25  2  0  0  0  0
 27 24  1  0  0  0  0
 28 26  1  0  0  0  0
 12  4  2  0  0  0  0
 27 28  2  0  0  0  0
  9  3  2  0  0  0  0
 11  8  1  0  0  0  0
M  END
>  <Mol_ID> (1,685)
1685

>  <Formula> (1,685)
C21H16N2O4S

>  <MolWeight> (1,685)
392.42774

>  <COMPOUND_NAME> (1,685)
WAY-382236

>  <BAR_CODE_NO> (1,685)
2572515

$$$$
WAY-382239
csChFnd80/06171916322D

 24 27  0  0  0  0  0  0  0  0999 V2000
    5.7417    3.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5417    3.6708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8292    4.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4292    4.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3417    3.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5250    6.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4667    2.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8667    2.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9042    6.3250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6292    4.8042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6167    5.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292    7.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9042    7.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1167    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6667    2.3958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042    6.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042    8.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9042    8.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3042    4.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7792    1.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5792    1.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4917    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8917    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  8  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  2  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9  6  1  0  0  0  0
 10  5  1  0  0  0  0
 11 20  1  0  0  0  0
 12 11  1  0  0  0  0
 13  6  2  0  0  0  0
 14  9  1  0  0  0  0
 15  5  2  0  0  0  0
 16 11  2  0  0  0  0
 17 12  1  0  0  0  0
 18 13  1  0  0  0  0
 19 16  1  0  0  0  0
 20 10  1  0  0  0  0
 21  7  2  0  0  0  0
 22  8  2  0  0  0  0
 23 21  1  0  0  0  0
 24 23  2  0  0  0  0
  2  3  2  0  0  0  0
 22 24  1  0  0  0  0
 18 14  2  0  0  0  0
 19 17  2  0  0  0  0
M  END
>  <Mol_ID> (1,686)
1686

>  <Formula> (1,686)
C19H14N2O2S

>  <MolWeight> (1,686)
334.39166

>  <COMPOUND_NAME> (1,686)
WAY-382239

>  <BAR_CODE_NO> (1,686)
2572586

$$$$
WAY-382262
csChFnd80/06171916322D

 28 32  0  0  0  0  0  0  0  0999 V2000
    2.5792   -1.0542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9417   -1.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8667   -1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5917   -2.2792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9417   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5250   -1.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2167   -1.6792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9500   -2.6542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7917   -2.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8917   -2.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2417   -2.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6625   -1.6542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.6417   -1.6625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.9167   -0.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -0.4625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6667   -2.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0917   -2.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0375   -2.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5542    0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6292   -0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167   -1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9750    0.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8917    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6042    0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5500   -2.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9500    1.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667   -2.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8375   -2.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  7  2  0  0  0  0
  6  3  1  0  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 18  1  0  0  0  0
 10  6  1  0  0  0  0
 11  9  2  0  0  0  0
 12  2  1  0  0  0  0
 13  5  1  0  0  0  0
 14  1  1  0  0  0  0
 15  3  2  0  0  0  0
 16  8  1  0  0  0  0
 17 16  2  0  0  0  0
 18 12  1  0  0  0  0
 19 14  1  0  0  0  0
 20 14  2  0  0  0  0
 21  6  2  0  0  0  0
 22 20  1  0  0  0  0
 23 19  2  0  0  0  0
 24 22  2  0  0  0  0
 25 10  2  0  0  0  0
 26 24  1  0  0  0  0
 27 21  1  0  0  0  0
 28 27  2  0  0  0  0
 10  4  1  0  0  0  0
 24 23  1  0  0  0  0
 28 25  1  0  0  0  0
  8  5  1  0  0  0  0
 17 13  1  0  0  0  0
M  END
>  <Mol_ID> (1,687)
1687

>  <Formula> (1,687)
C21H16N4OS2

>  <MolWeight> (1,687)
404.50794

>  <COMPOUND_NAME> (1,687)
WAY-382262

>  <BAR_CODE_NO> (1,687)
2572647

$$$$
WAY-312904
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.3172    0.1586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3207    0.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0172   -0.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1690    0.3586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0828    0.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2828    1.6345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8517   -0.5517    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4586   -1.3310    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7483   -0.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8517    0.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5828   -0.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5897    0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1828   -0.7172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8690    0.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5517   -0.6621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3828    0.5828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0483   -0.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7103    0.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2828   -1.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1172    0.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2828    0.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0655   -0.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 15  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 19 22  1  0  0  0  0
  5  7  1  0  0  0  0
 18 21  2  0  0  0  0
 20 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,688)
1688

>  <Formula> (1,688)
C18H15NOS2

>  <MolWeight> (1,688)
325.4478

>  <COMPOUND_NAME> (1,688)
WAY-312904

>  <BAR_CODE_NO> (1,688)
3917634

$$$$
WAY-312637
csChFnd80/06171916322D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -0.5103    0.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0897    1.1069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0897   -0.9138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6724    0.0966    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2586    1.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2586   -0.9138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2621    1.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8379    0.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8379    2.1241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8586   -1.9138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0000    0.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.0966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    2.0966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5897    1.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5379   -0.9138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207   -0.9138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1724    0.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -1.9138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7517   -0.9138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1724   -1.9138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
  6  8  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,689)
1689

>  <Formula> (1,689)
C13H19N3O4S

>  <MolWeight> (1,689)
313.37266

>  <COMPOUND_NAME> (1,689)
WAY-312637

>  <BAR_CODE_NO> (1,689)
3917297

$$$$
WAY-311515
csChFnd80/06171916322D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -2.5655   -0.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7310    0.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3655   -1.4069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7414   -1.4621    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6966    1.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0069    0.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3345   -0.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6276   -0.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4966    0.6690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8621    2.4517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5586    1.7966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8655   -1.1207    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9172   -0.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8966   -0.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0966   -0.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1276   -0.0448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2621   -2.1241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3276   -0.5483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9655    1.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3586    0.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966    2.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
  6  8  2  0  0  0  0
  7  9  1  0  0  0  0
M  END
>  <Mol_ID> (1,690)
1690

>  <Formula> (1,690)
C14H19N3O2S2

>  <MolWeight> (1,690)
325.44956

>  <COMPOUND_NAME> (1,690)
WAY-311515

>  <BAR_CODE_NO> (1,690)
3915908

$$$$
WAY-345113
csChFnd80/06171916322D

 12 13  0  0  0  0  0  0  0  0999 V2000
    0.6925   -0.3362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6695   -0.3362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8925   -1.0327    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9925    1.0535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8144   -1.1155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1075    1.0121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9581   -0.0914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3822    1.1742    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9075   -0.2983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4695    1.0121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3201   -0.3776    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2695   -0.6638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  2  0  0  0  0
M  END
>  <Mol_ID> (1,691)
1691

>  <Formula> (1,691)
C8H8N2OS

>  <MolWeight> (1,691)
180.22692

>  <COMPOUND_NAME> (1,691)
WAY-345113

>  <BAR_CODE_NO> (1,691)
2555415

$$$$
WAY-345227
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
    8.4375   -6.1292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8667   -5.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6000   -6.1417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.2375   -8.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4500   -4.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1917   -5.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6042   -4.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6625   -7.1542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0875   -6.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3542   -5.1417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.7042   -5.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6292   -9.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4125   -8.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6542   -5.1667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9250   -6.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1167   -6.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1375   -4.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3792   -5.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5000   -9.1750    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.9542   -7.1500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.9667   -4.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500   -6.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2167   -5.0750    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.8750   -3.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1917   -3.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4167  -10.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -9.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2417  -10.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4500   -2.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6167   -2.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  8  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  2  0  0  0  0
  7  6  1  0  0  0  0
  8  9  1  0  0  0  0
  9 15  1  0  0  0  0
 10  6  1  0  0  0  0
 11  2  1  0  0  0  0
 12  4  1  0  0  0  0
 13  4  2  0  0  0  0
 14  9  2  0  0  0  0
 15 10  1  0  0  0  0
 16 11  2  0  0  0  0
 17 11  1  0  0  0  0
 18 21  1  0  0  0  0
 19 12  1  0  0  0  0
 20 13  1  0  0  0  0
 21 17  2  0  0  0  0
 22 16  1  0  0  0  0
 23 18  1  0  0  0  0
 24  5  2  0  0  0  0
 25  7  2  0  0  0  0
 26 27  2  0  0  0  0
 27 13  1  0  0  0  0
 28 12  2  0  0  0  0
 29 24  1  0  0  0  0
 30 25  1  0  0  0  0
  5  7  1  0  0  0  0
 22 18  2  0  0  0  0
 30 29  2  0  0  0  0
 28 26  1  0  0  0  0
M  END
>  <Mol_ID> (1,692)
1692

>  <Formula> (1,692)
C22H14F3N3OS

>  <MolWeight> (1,692)
425.4262696

>  <COMPOUND_NAME> (1,692)
WAY-345227

>  <BAR_CODE_NO> (1,692)
2555720

$$$$
WAY-311227
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -2.0724   -0.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8931   -0.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3138   -0.8655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9207    0.3931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5517   -0.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0414   -1.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6828   -0.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0621    0.5241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3414   -0.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4207    0.6931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8310   -1.8966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1793   -0.3862    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4931   -1.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7276    0.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5862    0.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1069    0.8552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8966   -0.6345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9793    0.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4966    1.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2862   -0.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3690    1.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1586    2.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1586   -0.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6793    0.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  9 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
  7  8  1  0  0  0  0
 11 13  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (1,693)
1693

>  <Formula> (1,693)
C17H16N4O2S

>  <MolWeight> (1,693)
340.39954

>  <COMPOUND_NAME> (1,693)
WAY-311227

>  <BAR_CODE_NO> (1,693)
3915597

$$$$
WAY-311095
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -2.4349    0.6139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0728   -0.0033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5728    0.4139    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5349    1.4553    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8556   -0.8447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8935    0.2346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1349    1.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2142   -0.4033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7349    1.8346    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4935   -1.4447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5142   -0.3861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2556    1.1760    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3142   -1.2033    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1858    0.4139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0651    0.4139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5065   -0.3447    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5065    1.1760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3858   -0.3447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8272   -1.1033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8272    0.4139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7065   -1.1033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7065    0.4139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1444   -0.3447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1444   -1.8654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0203   -0.3447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
 10 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
 21 24  1  0  0  0  0
 23 25  1  0  0  0  0
  7  9  2  0  0  0  0
 11 13  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,694)
1694

>  <Formula> (1,694)
C18H19N5OS

>  <MolWeight> (1,694)
353.44136

>  <COMPOUND_NAME> (1,694)
WAY-311095

>  <BAR_CODE_NO> (1,694)
3915443

$$$$
WAY-344003
csChFnd80/06171916322D

 32 35  0  0  0  0  0  0  0  0999 V2000
    3.9792   -4.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3250   -3.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1417   -5.3292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0917   -3.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8875   -3.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2625   -4.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9667   -5.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9667   -4.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9542   -2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2875   -4.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3042   -6.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1792   -3.2292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2375   -2.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8667   -4.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2167   -4.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9042   -5.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2542   -5.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9417   -6.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9250   -4.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2000   -5.5750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3125   -5.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9542   -3.1667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0000   -7.8625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8750   -1.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0417   -2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -5.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2792   -1.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3542   -7.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2125    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208   -3.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500   -4.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  7 10  2  0  0  0  0
  8  3  1  0  0  0  0
  9  2  1  0  0  0  0
 10 19  1  0  0  0  0
 11 18  2  0  0  0  0
 12  5  1  0  0  0  0
 13  5  1  0  0  0  0
 14 12  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 17  2  0  0  0  0
 20 14  2  0  0  0  0
 21  7  1  0  0  0  0
 22 10  1  0  0  0  0
 23 11  1  0  0  0  0
 24 13  1  0  0  0  0
 25  4  2  0  0  0  0
 26  8  2  0  0  0  0
 27 21  1  0  0  0  0
 28 22  1  0  0  0  0
 29 23  1  0  0  0  0
 30 24  1  0  0  0  0
 31 25  1  0  0  0  0
 32 26  1  0  0  0  0
  4  8  1  0  0  0  0
 13  9  2  0  0  0  0
 31 32  2  0  0  0  0
 11  7  1  0  0  0  0
M  END
>  <Mol_ID> (1,695)
1695

>  <Formula> (1,695)
C25H23NO6

>  <MolWeight> (1,695)
433.45322

>  <COMPOUND_NAME> (1,695)
WAY-344003

>  <BAR_CODE_NO> (1,695)
2554202

$$$$
WAY-344678-A
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
    4.5000   -2.3167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1500   -3.6125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7917   -3.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4625   -3.1542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6792   -2.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1500   -4.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000   -3.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1667   -1.7000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.2750    0.4958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8667   -4.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4292   -4.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4792   -0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8417   -4.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1542   -2.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9625   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4292   -5.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8667   -5.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6500   -4.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9625   -2.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1500   -6.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2042   -3.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  2  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  5  1  0  0  0  0
  9 15  1  0  0  0  0
 10  6  1  0  0  0  0
 11  6  2  0  0  0  0
 12  8  1  0  0  0  0
 13  7  1  0  0  0  0
 14  7  1  0  0  0  0
 15 12  1  0  0  0  0
 16 11  1  0  0  0  0
 17 10  2  0  0  0  0
 18 13  1  0  0  0  0
 19 14  1  0  0  0  0
 20 16  2  0  0  0  0
 21 19  1  0  0  0  0
  4  2  1  0  0  0  0
 18 21  1  0  0  0  0
 20 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,696)
1696

>  <Formula> (1,696)
C16H22N4S

>  <MolWeight> (1,696)
302.43768

>  <COMPOUND_NAME> (1,696)
WAY-344678-A

>  <BAR_CODE_NO> (1,696)
2554974

$$$$
WAY-313301
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -0.2586   -0.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2586    0.4828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7414   -1.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3759   -1.0586    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7414    1.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3759    0.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7621   -0.6966    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.7414   -2.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0586   -0.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7621    0.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7414    2.2241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7586    1.9414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7828   -1.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7414   -3.6172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2379   -0.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8034    1.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8034   -0.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7828   -2.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8172    0.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8414    1.6034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8241   -1.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8034   -3.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2379    1.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9759    0.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8241   -2.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8172    2.9414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5586    1.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9759    2.9414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 14  3  0  0  0  0
  9 15  2  0  0  0  0
 10 16  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  3  0  0  0  0
 17 21  2  0  0  0  0
 18 22  1  0  0  0  0
 19 23  2  0  0  0  0
 19 24  1  0  0  0  0
 21 25  1  0  0  0  0
 23 26  1  0  0  0  0
 24 27  2  0  0  0  0
 26 28  2  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
 22 25  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (1,697)
1697

>  <Formula> (1,697)
C22H14N4OS

>  <MolWeight> (1,697)
382.43776

>  <COMPOUND_NAME> (1,697)
WAY-313301

>  <BAR_CODE_NO> (1,697)
3918164

$$$$
WAY-116048
csChFnd80/06171916322D

 20 21  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.8386    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9580    3.8558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9870    1.8096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6268    1.6558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2234    3.1817    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8978    0.8043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3172    1.0880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6268    5.2160    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.3429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7784    2.4363    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5967    6.1978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5839    8.1848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2160    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1944    7.5461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9450    5.8428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1645    8.5752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9741    6.8718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3645    9.0364    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5882    0.2364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9257    8.6816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  2  0  0  0  0
  7  6  1  0  0  0  0
  8  2  1  0  0  0  0
  9  4  2  0  0  0  0
 10  7  2  0  0  0  0
 11  8  1  0  0  0  0
 12 17  1  0  0  0  0
 13  7  1  0  0  0  0
 14 11  2  0  0  0  0
 15 11  1  0  0  0  0
 16 14  1  0  0  0  0
 17 15  2  0  0  0  0
 18 12  1  0  0  0  0
 19 13  1  0  0  0  0
 20 18  1  0  0  0  0
  5  3  1  0  0  0  0
 16 12  2  0  0  0  0
M  END
>  <Mol_ID> (1,698)
1698

>  <Formula> (1,698)
C13H12N2O4S

>  <MolWeight> (1,698)
292.31038

>  <COMPOUND_NAME> (1,698)
WAY-116048

>  <BAR_CODE_NO> (1,698)
3918199

$$$$
WAY-312722
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -2.5498   -0.4431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0812   -0.6374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5003   -1.5703    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8113    0.9095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6798   -2.0445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0141    0.5908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1322   -0.9562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2954    0.6141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1879   -2.2311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5300    0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2205   -1.7025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1285   -1.0184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5187   -0.9639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6522   -1.2049    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.9413   -1.5781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6664    0.5675    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2508   -2.6353    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6006    0.0155    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.9519   -0.4120    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2833   -3.0784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1667    0.9173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4911   -0.5519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7731    2.3244    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.3851    0.7074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7243    2.0989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9087    0.5597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6105    3.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7949    1.8268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1419    3.2183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  9 12  2  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 15 20  2  0  0  0  0
 16 21  1  0  0  0  0
 19 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  2  0  0  0  0
 27 29  2  0  0  0  0
  7  8  2  0  0  0  0
 10 12  1  0  0  0  0
 19 21  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (1,699)
1699

>  <Formula> (1,699)
C21H14N2O4S2

>  <MolWeight> (1,699)
422.47686

>  <COMPOUND_NAME> (1,699)
WAY-312722

>  <BAR_CODE_NO> (1,699)
3917410

$$$$
WAY-313140
csChFnd80/06171916322D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -0.5379   -0.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1138   -0.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9759   -0.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5276   -1.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1138    0.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7621   -0.4552    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9759   -1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7000   -0.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2483   -1.7138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1897   -1.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4138    0.6690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4655    1.2483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4138   -0.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7000   -1.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4034   -0.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1241    1.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0621   -0.4552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4034   -1.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1172   -0.0552    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.8379    0.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1138    1.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5517    1.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8207    2.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5379    1.9207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
  6 13  1  0  0  0  0
  7 14  2  0  0  0  0
  8 15  1  0  0  0  0
 11 16  1  0  0  0  0
 13 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  2  0  0  0  0
 16 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
  7  9  1  0  0  0  0
 11 13  1  0  0  0  0
 15 18  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,700)
1700

>  <Formula> (1,700)
C17H9BrN2O3S

>  <MolWeight> (1,700)
401.23396

>  <COMPOUND_NAME> (1,700)
WAY-313140

>  <BAR_CODE_NO> (1,700)
3917943

$$$$
WAY-311608
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.7586   -0.1207    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.6483    0.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4690   -0.9793    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0483    0.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8586    1.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4517   -0.9793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7621   -0.1207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0483    1.3310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7483    1.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1690    1.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9207   -1.7690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9483    2.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4483    0.7897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3793    2.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414   -1.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2793    2.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3103   -0.9793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3103   -2.5690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2414   -0.9793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2414   -2.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7207   -1.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  9 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  2  0  0  0  0
 11 15  1  0  0  0  0
 12 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
  6  7  1  0  0  0  0
 14 16  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,701)
1701

>  <Formula> (1,701)
C16H15N3OS

>  <MolWeight> (1,701)
297.3748

>  <COMPOUND_NAME> (1,701)
WAY-311608

>  <BAR_CODE_NO> (1,701)
3916035

$$$$
WAY-313270
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
    0.6173    1.4410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7967    0.5444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0449    2.1203    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4760    1.7617    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3691   -0.1659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0965    0.4030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5449    2.8617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4035    2.6479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0380   -1.0176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4516   -0.4107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2932    3.7203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0484    3.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1518   -1.1970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9346    4.3548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7932    4.1444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1654   -2.0556    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7587    5.2513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0620   -2.2314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3827   -3.1211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6620   -1.5521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2309   -3.3004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7689   -3.8004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5551   -4.1590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0206   -4.6590    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8758   -4.8728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  2  0  0  0  0
  7  8  2  0  0  0  0
 10 13  2  0  0  0  0
 14 15  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,702)
1702

>  <Formula> (1,702)
C20H15N3O2

>  <MolWeight> (1,702)
329.352

>  <COMPOUND_NAME> (1,702)
WAY-313270

>  <BAR_CODE_NO> (1,702)
3918120

$$$$
WAY-311550
csChFnd80/06171916322D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -0.4379    0.2379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9897    0.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4483   -0.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1621    0.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9862   -0.6034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5759    0.7966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2690   -1.0069    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1690   -0.9931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8759    0.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6966   -1.0172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1655    1.3828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5897    0.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  3  0  0  0  0
  9 12  2  0  0  0  0
  5  7  1  0  0  0  0
M  END
>  <Mol_ID> (1,703)
1703

>  <Formula> (1,703)
C7H8N4S

>  <MolWeight> (1,703)
180.23022

>  <COMPOUND_NAME> (1,703)
WAY-311550

>  <BAR_CODE_NO> (1,703)
3915955

$$$$
WAY-311580
csChFnd80/06171916322D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -1.9519    1.1798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4209    1.0557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2899    2.6453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9933    0.0108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4067   -0.3271    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1964    2.4488    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9899    3.4798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7657    3.2936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5278    0.3074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5278   -1.4512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9308   -0.3271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8795    5.0350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6036   -0.8754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6964   -1.6202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6584    0.9971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9688   -2.9202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2067   -1.6202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7205   -4.2409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9584   -2.8685    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2067   -4.2029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  7 12  1  0  0  0  0
  9 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  2  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
  6  7  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,704)
1704

>  <Formula> (1,704)
C14H14N2O3S

>  <MolWeight> (1,704)
290.33756

>  <COMPOUND_NAME> (1,704)
WAY-311580

>  <BAR_CODE_NO> (1,704)
3915996

$$$$
WAY-310286
csChFnd80/06171916322D

 22 23  0  0  0  0  0  0  0  0999 V2000
   -1.3811   -0.4494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3811    0.4048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1311   -0.8952    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1311    0.8506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6227    0.8673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6227   -0.9119    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8940   -0.9119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8811    0.4048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8811   -0.4494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6565   -0.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1565   -0.4744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6227    1.7506    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8773   -1.7744    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3939   -0.9327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6565    0.3673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1398    0.4256    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4190    0.8048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1398   -0.5119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1565    0.3506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1311    1.7256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6436   -0.8952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9398    0.7506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  9  3  2  0  0  0  0
 10  7  1  0  0  0  0
 11  6  1  0  0  0  0
 12  5  2  0  0  0  0
 13  7  2  0  0  0  0
 14 10  2  0  0  0  0
 15 10  1  0  0  0  0
 16  5  1  0  0  0  0
 17 15  2  0  0  0  0
 18 14  1  0  0  0  0
 19 17  1  0  0  0  0
 20  4  1  0  0  0  0
 21  9  1  0  0  0  0
 22 19  1  0  0  0  0
  4  8  2  0  0  0  0
 19 18  2  0  0  0  0
M  END
>  <Mol_ID> (1,705)
1705

>  <Formula> (1,705)
C17H18N2O2S

>  <MolWeight> (1,705)
314.40202

>  <COMPOUND_NAME> (1,705)
WAY-310286

>  <BAR_CODE_NO> (1,705)
3914481

$$$$
WAY-116748
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    3.6890    2.7908    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9078    2.0904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6890    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.9078    0.6790    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.1428    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3403    0.6790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4647    2.0904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4647    0.6790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5593    0.0161    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1428    2.7908    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3403    2.0851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7194    0.7217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1253    2.1707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7194    2.0904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9329    0.0642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1519    0.7433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8902    2.7960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2640    2.8869    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2456    2.7908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2456    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2158    4.2663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0236    4.9078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  8  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  2  0  0  0  0
  9  6  1  0  0  0  0
 10  2  2  0  0  0  0
 11  6  2  0  0  0  0
 12  9  1  0  0  0  0
 13 16  1  0  0  0  0
 14 12  2  0  0  0  0
 15 12  1  0  0  0  0
 16 15  2  0  0  0  0
 17 14  1  0  0  0  0
 18 13  1  0  0  0  0
 19  7  1  0  0  0  0
 20  8  1  0  0  0  0
 21 18  1  0  0  0  0
 22 21  1  0  0  0  0
 23 24  1  0  0  0  0
 24 19  2  0  0  0  0
  4  3  1  0  0  0  0
 20 23  2  0  0  0  0
 17 13  2  0  0  0  0
M  END
>  <Mol_ID> (1,706)
1706

>  <Formula> (1,706)
C18H18N2O3S

>  <MolWeight> (1,706)
342.41212

>  <COMPOUND_NAME> (1,706)
WAY-116748

>  <BAR_CODE_NO> (1,706)
3918009

$$$$
WAY-333617
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -2.9208    2.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4375    4.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5042    4.7292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2458    1.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0333    2.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7583    7.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7542    6.7375    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.7208   -0.8667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4042    4.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4542    7.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1292    6.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4958   -0.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8375   -1.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6000    4.7292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9625    2.7250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458    5.7667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2208    9.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667    1.9958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8083   11.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0583   10.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5500   12.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2833   13.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1208   13.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5917   -0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2958   -3.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5750   16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4042   -4.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0625   -2.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  9  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  2  0  0  0  0
  6  2  1  0  0  0  0
  7  6  1  0  0  0  0
  8  4  1  0  0  0  0
  9  7  1  0  0  0  0
 10  7  1  0  0  0  0
 11 10  2  0  0  0  0
 12  5  1  0  0  0  0
 13 12  1  0  0  0  0
 14  3  2  0  0  0  0
 15  3  2  0  0  0  0
 16  2  2  0  0  0  0
 17  6  1  0  0  0  0
 18  4  2  0  0  0  0
 19 17  1  0  0  0  0
 20 17  2  0  0  0  0
 21 20  1  0  0  0  0
 22 19  2  0  0  0  0
 23 21  2  0  0  0  0
 24 12  2  0  0  0  0
 25 13  2  0  0  0  0
 26 23  1  0  0  0  0
 27 28  2  0  0  0  0
 28 24  1  0  0  0  0
  8 13  1  0  0  0  0
 27 25  1  0  0  0  0
  3 11  1  0  0  0  0
 23 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,707)
1707

>  <Formula> (1,707)
C21H17NO5S

>  <MolWeight> (1,707)
395.42838

>  <COMPOUND_NAME> (1,707)
WAY-333617

>  <BAR_CODE_NO> (1,707)
2555729

$$$$
WAY-310735
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -0.2517    0.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2517    1.1207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9793   -0.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4828   -0.1517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4828    1.5448    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.7207    1.1138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7207    0.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9793   -0.9966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2207    0.2759    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2207    1.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4828    2.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7310   -1.4310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2483   -1.4241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9517   -0.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3276    2.3897    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.4828    3.2345    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3655    2.3897    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4862   -0.9966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6862    0.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9517   -0.9931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2379   -1.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4207   -0.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6828   -1.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0379   -1.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3310   -2.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4241   -0.9931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1655    0.2897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6172   -1.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1793   -2.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1690    1.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
 14 19  1  0  0  0  0
 14 20  2  0  0  0  0
 18 21  1  0  0  0  0
 19 22  2  0  0  0  0
 20 23  1  0  0  0  0
 21 24  2  0  0  0  0
 21 25  1  0  0  0  0
 22 26  1  0  0  0  0
 22 27  1  0  0  0  0
 24 28  1  0  0  0  0
 25 29  1  0  0  0  0
 27 30  1  0  0  0  0
  6  7  2  0  0  0  0
  9 10  1  0  0  0  0
 23 26  2  0  0  0  0
 28 29  2  0  0  0  0
M  END
>  <Mol_ID> (1,708)
1708

>  <Formula> (1,708)
C20H19F3N4O3

>  <MolWeight> (1,708)
420.3850696

>  <COMPOUND_NAME> (1,708)
WAY-310735

>  <BAR_CODE_NO> (1,708)
3914996

$$$$
WAY-312690
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -0.1621    0.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3759    0.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4793   -0.2966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4793    0.6207    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7586   -0.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6586    0.7034    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0241   -0.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000   -0.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0241    0.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2379    0.0414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6586   -0.7586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2000    0.5828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -0.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6276   -1.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7586   -0.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6379    0.9414    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9793   -0.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9793    0.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2207    0.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4276   -0.4586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7000   -0.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9276   -0.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1759    0.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 12 17  2  0  0  0  0
 13 18  2  0  0  0  0
 15 19  2  0  0  0  0
 16 20  1  0  0  0  0
 18 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
  7  9  2  0  0  0  0
 10 12  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,709)
1709

>  <Formula> (1,709)
C17H20N2O2S3

>  <MolWeight> (1,709)
380.5479

>  <COMPOUND_NAME> (1,709)
WAY-312690

>  <BAR_CODE_NO> (1,709)
3917359

$$$$
WAY-311269
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -0.5586   -0.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5586    0.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1414   -0.4517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2724   -0.4517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2690    1.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1552    1.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8621   -0.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1414   -1.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9862   -0.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9828    0.7862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2690    2.0241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8690    0.7724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5759   -0.4655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8414   -1.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6931   -0.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6931    1.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5793    1.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5552   -1.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8379   -2.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4069   -0.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6931   -1.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4069    0.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5793    2.0034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2897    0.7655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2552   -1.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5414   -2.9138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3000    2.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2552   -2.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0069    1.9966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 12 17  1  0  0  0  0
 14 18  1  0  0  0  0
 14 19  2  0  0  0  0
 15 20  2  0  0  0  0
 15 21  1  0  0  0  0
 16 22  2  0  0  0  0
 17 23  1  0  0  0  0
 17 24  2  0  0  0  0
 18 25  2  0  0  0  0
 19 26  1  0  0  0  0
 23 27  1  0  0  0  0
 25 28  1  0  0  0  0
 27 29  1  0  0  0  0
  7 12  1  0  0  0  0
  9 10  1  0  0  0  0
 20 22  1  0  0  0  0
 26 28  2  0  0  0  0
M  END
>  <Mol_ID> (1,710)
1710

>  <Formula> (1,710)
C21H19N5O3

>  <MolWeight> (1,710)
389.40726

>  <COMPOUND_NAME> (1,710)
WAY-311269

>  <BAR_CODE_NO> (1,710)
3915639

$$$$
WAY-312785
csChFnd80/06171916322D

 22 23  0  0  0  0  0  0  0  0999 V2000
   -0.0310    0.5724    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.7241    0.1414    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0310    1.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7931    0.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4759    0.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7207    1.8793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7966   -0.7345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5483    0.5793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4690    1.4448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2345    0.1310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7207    2.7448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5483   -1.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2345    1.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9931    0.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5517   -2.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3034   -0.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9897    1.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7448    0.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3000   -2.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0517   -1.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0552   -2.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2897   -3.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  2  0  0  0  0
 16 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
  6  9  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (1,711)
1711

>  <Formula> (1,711)
C16H21N3O2S

>  <MolWeight> (1,711)
319.42184

>  <COMPOUND_NAME> (1,711)
WAY-312785

>  <BAR_CODE_NO> (1,711)
3917493

$$$$
CL-393965
csChFnd80/06171916322D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -0.6816   -0.1935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6495    0.2409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6816   -1.6246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9023    0.4892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4667   -0.9108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2426    1.5651    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6495   -2.0556    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9023   -2.3418    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1161   -0.1935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9023    1.9202    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9081   -0.7866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6736    1.6961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1161   -1.6246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1161    2.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4092    2.6134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5046    0.5134    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7322   -1.9453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  8 13  2  0  0  0  0
 10 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  2  0  0  0  0
  5  7  1  0  0  0  0
  9 13  1  0  0  0  0
 12 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,712)
1712

>  <Formula> (1,712)
C11H10N4OS

>  <MolWeight> (1,712)
246.2883

>  <COMPOUND_NAME> (1,712)
CL-393965

>  <BAR_CODE_NO> (1,712)
3914854

$$$$
WAY-343914
csChFnd80/06171916322D

 20 21  0  0  0  0  0  0  0  0999 V2000
   12.1917   -7.5167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8042   -8.6542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.5917   -6.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0875   -8.6917    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.6917   -5.2042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.2542   -5.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6917   -9.8292    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.2917   -6.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4042   -5.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8500   -5.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5542   -5.0375    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.7292   -6.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8042   -4.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4542   -6.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5250   -3.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1167   -9.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7292  -10.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7667   -7.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0167  -10.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -9.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  8  1  0  0  0  0
  6  3  2  0  0  0  0
  7  4  1  0  0  0  0
  8  3  1  0  0  0  0
  9  5  1  0  0  0  0
 10 15  2  0  0  0  0
 11 10  1  0  0  0  0
 12  9  1  0  0  0  0
 13  9  2  0  0  0  0
 14 12  2  0  0  0  0
 15 13  1  0  0  0  0
 16  2  1  0  0  0  0
 17 16  1  0  0  0  0
 18  4  1  0  0  0  0
 19 17  1  0  0  0  0
 20  7  1  0  0  0  0
  7 19  1  0  0  0  0
 14 10  1  0  0  0  0
M  END
>  <Mol_ID> (1,713)
1713

>  <Formula> (1,713)
C16H22FNOS

>  <MolWeight> (1,713)
295.4153832

>  <COMPOUND_NAME> (1,713)
WAY-343914

>  <BAR_CODE_NO> (1,713)
2554009

$$$$
WAY-343890
csChFnd80/06171916322D

 24 25  0  0  0  0  0  0  0  0999 V2000
    9.3167  -12.1667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8792  -12.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2542  -14.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3292  -14.7500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.3250   -1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292    0.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4292   -3.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7667   -1.5750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2667  -10.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3625    2.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208    0.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1542    4.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5208    2.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6417  -15.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2875    4.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0875   -3.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6625   -1.6250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6042  -10.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6417   -5.8417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9792   -3.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4167    6.8917    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.9583    2.7083    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.4125   -7.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  9  1  0  0  0  0
  6  5  1  0  0  0  0
  7  3  1  0  0  0  0
  8 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10  2  2  0  0  0  0
 11  6  1  0  0  0  0
 12  6  2  0  0  0  0
 13 11  2  0  0  0  0
 14 12  1  0  0  0  0
 15  3  2  0  0  0  0
 16 14  2  0  0  0  0
 17  5  2  0  0  0  0
 18  8  2  0  0  0  0
 19  1  1  0  0  0  0
 20 24  1  0  0  0  0
 21  8  1  0  0  0  0
 22 13  1  0  0  0  0
 23 14  1  0  0  0  0
 24 19  1  0  0  0  0
  7  4  1  0  0  0  0
 16 13  1  0  0  0  0
M  END
>  <Mol_ID> (1,714)
1714

>  <Formula> (1,714)
C14H12Cl2N2O5S

>  <MolWeight> (1,714)
391.22648

>  <COMPOUND_NAME> (1,714)
WAY-343890

>  <BAR_CODE_NO> (1,714)
2553986

$$$$
WAY-343900
csChFnd80/06171916322D

 24 25  0  0  0  0  0  0  0  0999 V2000
    8.2167  -12.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8625  -12.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1375   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1542  -14.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3417  -14.8042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3125    2.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167   -2.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3625  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2542   -4.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6917   -2.0292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2750  -10.6917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167    4.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4667  -14.9917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1375   -4.0875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4292   -2.0292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4500  -10.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4542   -6.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7000    2.0375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.8792   -4.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2333   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3125    6.1750    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.2750   -8.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4333    2.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375    4.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  7  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  2  0  0  0  0
  7 10  1  0  0  0  0
  8  4  1  0  0  0  0
  9 17  1  0  0  0  0
 10 19  1  0  0  0  0
 11  2  2  0  0  0  0
 12  6  1  0  0  0  0
 13  4  2  0  0  0  0
 14  7  2  0  0  0  0
 15  9  2  0  0  0  0
 16  1  1  0  0  0  0
 17 22  1  0  0  0  0
 18  6  1  0  0  0  0
 19  9  1  0  0  0  0
 20  3  1  0  0  0  0
 21 12  1  0  0  0  0
 22 16  1  0  0  0  0
 23 20  2  0  0  0  0
 24 23  1  0  0  0  0
  8  5  1  0  0  0  0
 12 24  2  0  0  0  0
M  END
>  <Mol_ID> (1,715)
1715

>  <Formula> (1,715)
C14H12Cl2N2O5S

>  <MolWeight> (1,715)
391.22648

>  <COMPOUND_NAME> (1,715)
WAY-343900

>  <BAR_CODE_NO> (1,715)
2553995

$$$$
WAY-343891
csChFnd80/06171916322D

 24 25  0  0  0  0  0  0  0  0999 V2000
    9.5167  -12.1292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0750  -12.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0792    0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000  -14.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5542  -14.7792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.3167   -1.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2875    2.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6542  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3625    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4917   -3.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7667   -1.5542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4167  -10.5292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9042  -14.9167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1042   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6917   -1.5167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7667   -9.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0500    4.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7417   -5.7625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0292   -3.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000    2.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7667    2.7083    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958    4.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0708    2.5958    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.5375   -7.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  6  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6 11  1  0  0  0  0
  7  3  2  0  0  0  0
  8  4  1  0  0  0  0
  9  3  1  0  0  0  0
 10 18  1  0  0  0  0
 11 19  1  0  0  0  0
 12  2  2  0  0  0  0
 13  4  2  0  0  0  0
 14  6  2  0  0  0  0
 15 10  2  0  0  0  0
 16  1  1  0  0  0  0
 17  7  1  0  0  0  0
 18 24  1  0  0  0  0
 19 10  1  0  0  0  0
 20  9  2  0  0  0  0
 21  7  1  0  0  0  0
 22 20  1  0  0  0  0
 23 20  1  0  0  0  0
 24 16  1  0  0  0  0
  8  5  1  0  0  0  0
 17 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,716)
1716

>  <Formula> (1,716)
C14H12Cl2N2O5S

>  <MolWeight> (1,716)
391.22648

>  <COMPOUND_NAME> (1,716)
WAY-343891

>  <BAR_CODE_NO> (1,716)
2553987

$$$$
WAY-311964
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -0.0625   -1.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -2.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0625   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5875   -1.5792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5875   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4125   -2.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4125    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7625   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7625   -1.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9542    0.8125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -3.9042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5875    3.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167    2.2833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9542   -2.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9167    2.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5500    4.6167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3625   -3.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0500   -2.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708    2.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0708    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9167   -3.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208   -4.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4958   -4.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6833    3.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0708    2.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  6  2  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8  3  1  0  0  0  0
  9 10  1  0  0  0  0
 10  7  1  0  0  0  0
 11  5  1  0  0  0  0
 12  2  2  0  0  0  0
 13 16  1  0  0  0  0
 14 13  2  0  0  0  0
 15  4  1  0  0  0  0
 16 11  1  0  0  0  0
 17 13  1  0  0  0  0
 18  7  1  0  0  0  0
 19  7  1  0  0  0  0
 20  8  2  0  0  0  0
 21  9  2  0  0  0  0
 22 15  1  0  0  0  0
 23 19  1  0  0  0  0
 24 18  1  0  0  0  0
 25 20  1  0  0  0  0
 26 21  1  0  0  0  0
 23 24  1  0  0  0  0
  8  9  1  0  0  0  0
  4  5  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <Mol_ID> (1,717)
1717

>  <Formula> (1,717)
C20H23N3O2S

>  <MolWeight> (1,717)
369.48052

>  <COMPOUND_NAME> (1,717)
WAY-311964

>  <BAR_CODE_NO> (1,717)
3916509

$$$$
WAY-344265
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
    8.2750   -3.0167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1042   -3.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8625   -4.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2792   -5.0417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5250   -4.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4167   -6.0750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1167   -5.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8167   -5.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0417   -4.0292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.8292   -7.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5125   -2.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6042   -6.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6292   -5.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4042   -4.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2042   -7.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3542   -4.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5375   -6.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8042   -6.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2500   -8.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8500   -7.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6167   -8.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3917   -7.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7792   -5.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3667   -6.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2250   -9.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4125   -9.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  2  1  0  0  0  0
  6  8  1  0  0  0  0
  7  4  1  0  0  0  0
  8 13  1  0  0  0  0
  9  3  1  0  0  0  0
 10  6  1  0  0  0  0
 11  2  2  0  0  0  0
 12  6  1  0  0  0  0
 13  9  1  0  0  0  0
 14  8  2  0  0  0  0
 15 12  1  0  0  0  0
 16  5  2  0  0  0  0
 17  7  2  0  0  0  0
 18 10  1  0  0  0  0
 19 10  1  0  0  0  0
 20 10  1  0  0  0  0
 21 15  1  0  0  0  0
 22 15  2  0  0  0  0
 23 16  1  0  0  0  0
 24 17  1  0  0  0  0
 25 22  1  0  0  0  0
 26 21  2  0  0  0  0
 27 25  2  0  0  0  0
  5  7  1  0  0  0  0
 24 23  2  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (1,718)
1718

>  <Formula> (1,718)
C21H23N3O2S

>  <MolWeight> (1,718)
381.49122

>  <COMPOUND_NAME> (1,718)
WAY-344265

>  <BAR_CODE_NO> (1,718)
2554440

$$$$
WAY-310877
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
    1.2897   -0.0724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6103    0.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3000   -0.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8483   -0.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9276    1.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5897    1.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2655   -1.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4897    0.2897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2276   -1.6931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8655   -0.8931    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2276    2.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9103    2.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6103   -1.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2276    2.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4724   -1.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3517   -1.7724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4724   -0.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2103   -1.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3345    0.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2241   -0.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1103    0.2172    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  2  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
  7  9  1  0  0  0  0
 12 14  2  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,719)
1719

>  <Formula> (1,719)
C16H11FN2OS

>  <MolWeight> (1,719)
298.3347432

>  <COMPOUND_NAME> (1,719)
WAY-310877

>  <BAR_CODE_NO> (1,719)
3915171

$$$$
WAY-312887
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
    1.0552    0.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6103    0.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5034    0.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0552   -0.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6103    1.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0586    0.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5034   -0.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1586    1.7448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1414    1.8552    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0586   -0.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6172    0.7931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0207    2.3724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7552    1.4931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4103    2.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6172   -0.4931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1793    0.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1103    3.0069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6172   -1.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1793   -1.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1793   -2.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7172   -1.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7172   -2.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6448   -2.4552    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.2793   -1.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2793   -2.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8069   -2.4448    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
 25 26  1  0  0  0  0
  7 10  2  0  0  0  0
 12 14  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (1,720)
1720

>  <Formula> (1,720)
C18H13Cl2NO4S

>  <MolWeight> (1,720)
410.27112

>  <COMPOUND_NAME> (1,720)
WAY-312887

>  <BAR_CODE_NO> (1,720)
3917616

$$$$
WAY-312609
csChFnd80/06171916322D

 28 30  0  0  0  0  0  0  0  0999 V2000
   -0.3655   -0.8069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8862   -0.0621    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.3655   -2.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8966   -0.8069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8862    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1517   -0.7966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8931   -2.9897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6379   -3.0034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8966   -2.2690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1517   -0.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1517    2.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3828    2.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1586   -2.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4310   -0.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3207   -0.9586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1517    3.5828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4310    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3828    3.5828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4310   -2.9897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7034   -0.7966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3207   -2.3138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4931   -0.2862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8862    4.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4310    4.3172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5034    1.9172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1517   -2.9897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4207    5.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1517   -4.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
  6 13  2  0  0  0  0
  6 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  2  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
 13 19  1  0  0  0  0
 14 20  3  0  0  0  0
 15 21  1  0  0  0  0
 15 22  2  0  0  0  0
 16 23  1  0  0  0  0
 16 24  1  0  0  0  0
 17 25  1  0  0  0  0
 21 26  1  0  0  0  0
 24 27  1  0  0  0  0
 26 28  1  0  0  0  0
  7 13  1  0  0  0  0
  8  9  1  0  0  0  0
 18 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,721)
1721

>  <Formula> (1,721)
C19H20N4O5

>  <MolWeight> (1,721)
384.3859

>  <COMPOUND_NAME> (1,721)
WAY-312609

>  <BAR_CODE_NO> (1,721)
3917269

$$$$
WAY-344905
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
    9.2167  -10.3000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.3250   -8.8667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4292   -3.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042   -4.7292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5542   -6.0417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3917   -2.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1750   -2.6417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6667   -4.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1042  -11.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1000   -4.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6417   -9.4042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7792  -11.1917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6500   -8.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1042   -7.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1042   -3.2792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.2125   -5.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7667   -7.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -4.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4417   -3.1542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7667  -11.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3167  -13.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8667  -14.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6625  -13.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2000  -14.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7625  -16.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3 15  1  0  0  0  0
  4  3  1  0  0  0  0
  5 16  1  0  0  0  0
  6  3  2  0  0  0  0
  7  6  1  0  0  0  0
  8  5  1  0  0  0  0
  9  1  1  0  0  0  0
 10  4  1  0  0  0  0
 11  1  2  0  0  0  0
 12  1  2  0  0  0  0
 13  2  1  0  0  0  0
 14  2  1  0  0  0  0
 15 18  1  0  0  0  0
 16 14  1  0  0  0  0
 17 13  1  0  0  0  0
 18  8  1  0  0  0  0
 19  8  2  0  0  0  0
 20  9  2  0  0  0  0
 21  9  1  0  0  0  0
 22 24  1  0  0  0  0
 23 20  1  0  0  0  0
 24 21  2  0  0  0  0
 25 22  1  0  0  0  0
 22 23  2  0  0  0  0
  5 17  1  0  0  0  0
 10  7  2  0  0  0  0
M  END
>  <Mol_ID> (1,722)
1722

>  <Formula> (1,722)
C14H16ClN5O3S2

>  <MolWeight> (1,722)
401.89154

>  <COMPOUND_NAME> (1,722)
WAY-344905

>  <BAR_CODE_NO> (1,722)
2555137

$$$$
WAY-311032
csChFnd80/06171916322D

 28 30  0  0  0  0  0  0  0  0999 V2000
   -1.5000    0.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9000    0.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1379    0.8276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3379   -0.2103    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3552    0.3897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8379    1.5690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7552    0.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6172   -0.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3621    0.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3552    0.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7552   -0.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2379   -0.8966    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8241   -0.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9759    0.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3552   -0.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9759   -0.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6000    0.8276    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.9621   -0.4483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7621    0.7690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6621   -0.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1000   -0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9103    0.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8103   -0.7966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8448   -1.5483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6241    0.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0724   -0.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2724   -2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 17  2  0  0  0  0
 14 18  1  0  0  0  0
 16 19  1  0  0  0  0
 16 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 23 26  2  0  0  0  0
 24 27  2  0  0  0  0
 25 28  1  0  0  0  0
  5  8  1  0  0  0  0
 15 17  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (1,723)
1723

>  <Formula> (1,723)
C20H17BrN2O3S2

>  <MolWeight> (1,723)
477.39458

>  <COMPOUND_NAME> (1,723)
WAY-311032

>  <BAR_CODE_NO> (1,723)
3915367

$$$$
WAY-313012
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -2.3968    2.3895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3968    1.0274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1105    2.8136    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5588    3.0757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1105    0.6170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5588    0.3653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3209    1.7308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7312    2.3895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7312    1.0274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0377    1.7308    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7170    0.5550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0757    0.5377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7308   -0.6243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0757   -1.7726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7170   -1.7726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7308   -2.9347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0377   -2.9347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0757   -4.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7170   -4.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  6  9  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
  5  7  1  0  0  0  0
  8  9  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (1,724)
1724

>  <Formula> (1,724)
C15H13NO2S

>  <MolWeight> (1,724)
271.33422

>  <COMPOUND_NAME> (1,724)
WAY-313012

>  <BAR_CODE_NO> (1,724)
3917781

$$$$
WAY-345386
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
    8.1292   -4.2917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1500   -4.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1542   -5.6875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7750   -5.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1625   -6.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3250   -3.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8417   -5.1167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.0750   -7.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3125   -2.9125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.1167   -7.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2542   -5.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5792   -6.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7042   -6.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6625   -6.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3125   -4.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5292   -8.5625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2917   -2.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5417   -6.9292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6792   -3.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7625   -5.1667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4250   -3.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3000   -5.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1292   -6.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1667   -6.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5000   -8.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4542   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8 10  1  0  0  0  0
  9  6  1  0  0  0  0
 10 14  2  0  0  0  0
 11 22  1  0  0  0  0
 12 23  1  0  0  0  0
 13 11  1  0  0  0  0
 14 13  1  0  0  0  0
 15  6  2  0  0  0  0
 16  8  1  0  0  0  0
 17  9  1  0  0  0  0
 18 12  1  0  0  0  0
 19 15  1  0  0  0  0
 20 11  2  0  0  0  0
 21  1  1  0  0  0  0
 22  7  1  0  0  0  0
 23 24  2  0  0  0  0
 24 14  1  0  0  0  0
 25 16  1  0  0  0  0
 26 18  1  0  0  0  0
 27 21  1  0  0  0  0
  3  5  1  0  0  0  0
 17 19  2  0  0  0  0
 12  8  2  0  0  0  0
 26 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,725)
1725

>  <Formula> (1,725)
C18H18N4O3S2

>  <MolWeight> (1,725)
402.49052

>  <COMPOUND_NAME> (1,725)
WAY-345386

>  <BAR_CODE_NO> (1,725)
2555584

$$$$
GI-570473
csChFnd80/06171916322D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -0.3140   -0.4403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5588   -0.0058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3002   -1.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8722    0.2426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3554   -1.0885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1071    1.2391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5588   -2.1334    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8860   -2.4196    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0584   -0.4403    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8722    1.5702    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6864   -0.9299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4381    1.3978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0584   -1.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0308    2.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2347    0.3115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1860    1.5702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2308    0.2253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3584    2.2081    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  8 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
  5  7  1  0  0  0  0
  9 13  1  0  0  0  0
 12 15  1  0  0  0  0
M  END
>  <Mol_ID> (1,726)
1726

>  <Formula> (1,726)
C12H12N2O2S2

>  <MolWeight> (1,726)
280.36588

>  <COMPOUND_NAME> (1,726)
GI-570473

>  <BAR_CODE_NO> (1,726)
3915251

$$$$
WAY-311435
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -1.5897    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5897   -0.8241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7586    0.3207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3103    0.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8138   -1.0793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3103   -1.2310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3379   -0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0448    0.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0379    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3103    1.2448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0379   -0.8241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3103   -2.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4793   -0.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0448    1.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7724   -1.2310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3034   -0.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6655    1.9690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7103    0.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5276    0.3207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9414    1.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9414   -0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7655    1.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7552   -0.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1759    0.3069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
 11 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
  5  7  2  0  0  0  0
  9 11  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,727)
1727

>  <Formula> (1,727)
C15H21N5O3S

>  <MolWeight> (1,727)
351.42394

>  <COMPOUND_NAME> (1,727)
WAY-311435

>  <BAR_CODE_NO> (1,727)
3915821

$$$$
WAY-310729
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -1.5897    0.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5897   -0.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7586    0.3207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3103    0.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8138   -1.0793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3103   -1.2310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3379   -0.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0448    0.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0379    0.0034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3103    1.2448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0379   -0.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3103   -2.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4793   -0.3966    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0448    1.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7724   -1.2310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3034   -0.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6655    1.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7103    0.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5276    0.3172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9414    1.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9414   -0.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7655    1.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7552   -0.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1759    0.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
 11 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
  5  7  2  0  0  0  0
  9 11  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,728)
1728

>  <Formula> (1,728)
C16H23N5O2S

>  <MolWeight> (1,728)
349.45112

>  <COMPOUND_NAME> (1,728)
WAY-310729

>  <BAR_CODE_NO> (1,728)
3914990

$$$$
WAY-623485
csChFnd80/06171916322D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -2.7458   -1.8542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.7458   -2.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4583   -2.2667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.1417    0.2958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667    0.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3333   -1.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708   -0.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6167    1.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083   -1.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3792    1.0083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2875    2.4708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3792   -0.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7458   -0.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4417    1.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9000    3.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6125    2.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1417   -1.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958   -0.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2833   -2.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  7  1  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9  6  1  0  0  0  0
 10  5  1  0  0  0  0
 11  8  1  0  0  0  0
 12  5  2  0  0  0  0
 13  6  2  0  0  0  0
 14  8  2  0  0  0  0
 15 11  1  0  0  0  0
 16 14  1  0  0  0  0
 17  7  2  0  0  0  0
 18  9  1  0  0  0  0
 19 10  1  0  0  0  0
 20  3  1  0  0  0  0
  2  3  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <Mol_ID> (1,729)
1729

>  <Formula> (1,729)
C13H16N2O5

>  <MolWeight> (1,729)
280.27654

>  <COMPOUND_NAME> (1,729)
WAY-623485

>  <BAR_CODE_NO> (1,729)
90457654

$$$$
WAY-331816
csChFnd80/06171916322D

 24 25  0  0  0  0  0  0  0  0999 V2000
    6.5792   -4.5167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.7500   -0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1917   -2.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3542   -0.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8792   -2.3167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3542   -1.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8292    0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9667   -6.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2542   -2.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3042   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1250   -4.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0250   -4.9042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0417    0.5583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8417   -7.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4667   -6.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8167   -9.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2792   -8.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9292   -8.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8500   -2.0917    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.2667  -10.7292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1417  -11.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5417   -0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7417   -3.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  6  1  0  0  0  0
  6  3  1  0  0  0  0
  7 10  1  0  0  0  0
  8  1  1  0  0  0  0
  9  4  1  0  0  0  0
 10  6  2  0  0  0  0
 11  1  2  0  0  0  0
 12  1  2  0  0  0  0
 13  4  2  0  0  0  0
 14  8  2  0  0  0  0
 15  8  1  0  0  0  0
 16 18  1  0  0  0  0
 17 14  1  0  0  0  0
 18 15  2  0  0  0  0
 19  9  1  0  0  0  0
 20 16  1  0  0  0  0
 21 20  1  0  0  0  0
 22 19  1  0  0  0  0
 23 19  1  0  0  0  0
 24 22  1  0  0  0  0
 16 17  2  0  0  0  0
  7  2  2  0  0  0  0
M  END
>  <Mol_ID> (1,730)
1730

>  <Formula> (1,730)
C17H21NO5S

>  <MolWeight> (1,730)
351.41734

>  <COMPOUND_NAME> (1,730)
WAY-331816

>  <BAR_CODE_NO> (1,730)
306817

$$$$
WAY-331807
csChFnd80/06171916322D

 30 32  0  0  0  0  0  0  0  0999 V2000
   -3.3958   -0.6417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6333    0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2333    0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4958   -0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9333    0.2250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3333   -0.3292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7875    0.0083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0125   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1958    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9250    0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2958   -1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2875    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9958   -0.5417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8000   -0.7417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208   -0.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2333    0.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0250   -0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5333    0.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1333    0.9125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958   -1.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9083   -1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5875   -1.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6208   -0.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0750   -1.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4750   -1.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7875   -1.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9583   -2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3125   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2500   -2.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792   -0.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6 16  1  0  0  0  0
  7  9  1  0  0  0  0
  8  6  1  0  0  0  0
  9  4  1  0  0  0  0
 10 12  1  0  0  0  0
 11  1  1  0  0  0  0
 12  9  2  0  0  0  0
 13  1  2  0  0  0  0
 14  1  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17  5  1  0  0  0  0
 18  5  1  0  0  0  0
 19  3  2  0  0  0  0
 20  8  2  0  0  0  0
 21 11  1  0  0  0  0
 22 11  2  0  0  0  0
 23  8  1  0  0  0  0
 24 25  2  0  0  0  0
 25 22  1  0  0  0  0
 26 21  2  0  0  0  0
 27 24  1  0  0  0  0
 28 23  1  0  0  0  0
 29 27  1  0  0  0  0
 30 28  1  0  0  0  0
 24 26  1  0  0  0  0
  2 10  2  0  0  0  0
 15  6  1  0  0  0  0
M  END
>  <Mol_ID> (1,731)
1731

>  <Formula> (1,731)
C20H24N2O7S

>  <MolWeight> (1,731)
436.47876

>  <COMPOUND_NAME> (1,731)
WAY-331807

>  <BAR_CODE_NO> (1,731)
306808

$$$$
WAY-331819
csChFnd80/06171916322D

 28 30  0  0  0  0  0  0  0  0999 V2000
  -14.2917   -2.7000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8417    1.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.7167   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7875   -0.2792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4542    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0875    1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8417    2.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.8750   -4.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.5042    1.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1042   -0.1750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6125   -2.2792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0000   -3.1167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3417    2.8458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -15.1042   -5.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2417   -4.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3667   -0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4250   -4.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4083   -1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9417   -7.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7292   -6.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.6292   -7.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4083   -5.8542    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1958   -4.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6708   -2.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1542   -3.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6708   -1.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4542   -9.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.6792  -10.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  9  1  0  0  0  0
  8  1  1  0  0  0  0
  9  5  2  0  0  0  0
 10  6  1  0  0  0  0
 11  1  2  0  0  0  0
 12  1  2  0  0  0  0
 13  6  2  0  0  0  0
 14  8  2  0  0  0  0
 15  8  1  0  0  0  0
 16 10  1  0  0  0  0
 17 24  2  0  0  0  0
 18 16  1  0  0  0  0
 19 20  1  0  0  0  0
 20 15  2  0  0  0  0
 21 14  1  0  0  0  0
 22 17  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 18  1  0  0  0  0
 26 18  2  0  0  0  0
 27 19  1  0  0  0  0
 28 27  1  0  0  0  0
 19 21  2  0  0  0  0
  7  2  2  0  0  0  0
 17 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,732)
1732

>  <Formula> (1,732)
C20H18FNO5S

>  <MolWeight> (1,732)
403.4240232

>  <COMPOUND_NAME> (1,732)
WAY-331819

>  <BAR_CODE_NO> (1,732)
306820

$$$$
WAY-330434
csChFnd80/06171916322D

 32 35  0  0  0  0  0  0  0  0999 V2000
   -3.7958    7.0917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9042    0.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1792    1.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1917    3.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9042   -1.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6000    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6000    3.1708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4958    6.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4958    4.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1000    8.0792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8792    4.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6000   -2.7292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8208    5.3917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7875    8.7875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4958    0.2083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2125   -2.7417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1125   10.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1917    7.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4083   11.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8792    6.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4375   12.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6000   -4.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2875   14.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8083   12.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7958   11.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1333   13.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542   16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9083   -5.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3042   -5.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9083   -7.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3167   -7.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6292   -8.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  2  0  0  0  0
  5  2  1  0  0  0  0
  6  7  1  0  0  0  0
  7 11  1  0  0  0  0
  8  1  1  0  0  0  0
  9  8  1  0  0  0  0
 10  1  1  0  0  0  0
 11 20  2  0  0  0  0
 12  5  1  0  0  0  0
 13  1  2  0  0  0  0
 14  1  2  0  0  0  0
 15  3  2  0  0  0  0
 16  5  2  0  0  0  0
 17 10  1  0  0  0  0
 18  8  2  0  0  0  0
 19 17  2  0  0  0  0
 20 18  1  0  0  0  0
 21 19  1  0  0  0  0
 22 12  1  0  0  0  0
 23 21  1  0  0  0  0
 24 25  2  0  0  0  0
 25 17  1  0  0  0  0
 26 24  1  0  0  0  0
 27 23  1  0  0  0  0
 28 22  1  0  0  0  0
 29 22  1  0  0  0  0
 30 28  1  0  0  0  0
 31 29  1  0  0  0  0
 32 31  1  0  0  0  0
  4 11  1  0  0  0  0
 26 21  2  0  0  0  0
  6  2  2  0  0  0  0
 30 32  1  0  0  0  0
M  END
>  <Mol_ID> (1,733)
1733

>  <Formula> (1,733)
C23H25N3O5S

>  <MolWeight> (1,733)
455.5267

>  <COMPOUND_NAME> (1,733)
WAY-330434

>  <BAR_CODE_NO> (1,733)
305435

$$$$
WAY-330433
csChFnd80/06171916322D

 33 36  0  0  0  0  0  0  0  0999 V2000
   -3.7958    7.0917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9042    0.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1792    1.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1917    3.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9042   -1.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6000    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6000    3.1708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4958    6.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4958    4.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1000    8.0792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6000   -2.7292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8792    4.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8208    5.3917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7875    8.7875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6000   -4.6917    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -5.4958    0.2083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2125   -2.7417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1125   10.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1917    7.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4083   11.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8792    6.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3042   -5.6542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.4375   12.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2875   14.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8083   12.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7958   11.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9292   -5.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1333   13.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.0167   -4.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3500   -7.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542   16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9292   -7.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6292   -8.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  2  0  0  0  0
  5  2  1  0  0  0  0
  6  7  1  0  0  0  0
  7 12  1  0  0  0  0
  8  1  1  0  0  0  0
  9  8  1  0  0  0  0
 10  1  1  0  0  0  0
 11  5  1  0  0  0  0
 12 21  2  0  0  0  0
 13  1  2  0  0  0  0
 14  1  2  0  0  0  0
 15 11  1  0  0  0  0
 16  3  2  0  0  0  0
 17  5  2  0  0  0  0
 18 10  1  0  0  0  0
 19  8  2  0  0  0  0
 20 18  2  0  0  0  0
 21 19  1  0  0  0  0
 22 15  1  0  0  0  0
 23 20  1  0  0  0  0
 24 23  1  0  0  0  0
 25 26  2  0  0  0  0
 26 18  1  0  0  0  0
 27 15  1  0  0  0  0
 28 25  1  0  0  0  0
 29 22  1  0  0  0  0
 30 22  1  0  0  0  0
 31 24  1  0  0  0  0
 32 27  1  0  0  0  0
 33 32  1  0  0  0  0
  4 12  1  0  0  0  0
 28 23  2  0  0  0  0
  6  2  2  0  0  0  0
 30 33  1  0  0  0  0
M  END
>  <Mol_ID> (1,734)
1734

>  <Formula> (1,734)
C24H27N3O5S

>  <MolWeight> (1,734)
469.55328

>  <COMPOUND_NAME> (1,734)
WAY-330433

>  <BAR_CODE_NO> (1,734)
305434

$$$$
WAY-330484
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
   -4.3333    8.0875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1542    0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1917    1.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1958    3.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1542   -2.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0875    1.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3958    9.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0875    3.6208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2542    6.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2542    4.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4083   11.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4750   12.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1292    4.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0875   -3.1167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2125    6.1542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4583   10.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2542    0.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2208   -3.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5125   14.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1958    8.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1292    6.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167   16.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  -12.0875   -5.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3625   12.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   11.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3750   14.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4708   15.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.1542   -6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5917   -7.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.9167   -8.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7167   -8.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4 10  2  0  0  0  0
  5  2  1  0  0  0  0
  6  8  1  0  0  0  0
  7  1  1  0  0  0  0
  8 13  1  0  0  0  0
  9  1  1  0  0  0  0
 10  9  1  0  0  0  0
 11  7  1  0  0  0  0
 12 11  2  0  0  0  0
 13 21  2  0  0  0  0
 14  5  1  0  0  0  0
 15  1  2  0  0  0  0
 16  1  2  0  0  0  0
 17  3  2  0  0  0  0
 18  5  2  0  0  0  0
 19 12  1  0  0  0  0
 20  9  2  0  0  0  0
 21 20  1  0  0  0  0
 22 19  1  0  0  0  0
 23 14  1  0  0  0  0
 24 11  1  0  0  0  0
 25 12  1  0  0  0  0
 26 24  2  0  0  0  0
 27 26  1  0  0  0  0
 28 23  1  0  0  0  0
 29 23  1  0  0  0  0
 30 28  1  0  0  0  0
 31 29  1  0  0  0  0
  4 13  1  0  0  0  0
 27 19  2  0  0  0  0
  6  2  2  0  0  0  0
 31 30  1  0  0  0  0
M  END
>  <Mol_ID> (1,735)
1735

>  <Formula> (1,735)
C22H22ClN3O4S

>  <MolWeight> (1,735)
459.94578

>  <COMPOUND_NAME> (1,735)
WAY-330484

>  <BAR_CODE_NO> (1,735)
305485

$$$$
WAY-330834
csChFnd80/06171916322D

 28 30  0  0  0  0  0  0  0  0999 V2000
    9.5875   -7.9000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.2500   -7.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0875   -7.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7625   -7.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4250   -7.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.8250   -6.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5000   -8.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0875   -3.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3500   -8.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6000   -6.7250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5875   -9.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5125   -6.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6750   -4.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3375   -6.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6625   -2.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8375   -6.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8375   -4.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1000   -5.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8375   -8.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9250   -3.8750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6875   -6.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4250   -5.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0875   -9.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2500   -5.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2500   -9.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3500   -4.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000   -4.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3 12  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  9  1  0  0  0  0
  8 13  1  0  0  0  0
  9  4  2  0  0  0  0
 10  1  2  0  0  0  0
 11  1  2  0  0  0  0
 12 14  2  0  0  0  0
 13 18  2  0  0  0  0
 14  4  1  0  0  0  0
 15  6  2  0  0  0  0
 16  8  2  0  0  0  0
 17  5  1  0  0  0  0
 18 23  1  0  0  0  0
 19 22  2  0  0  0  0
 20  2  1  0  0  0  0
 21  8  1  0  0  0  0
 22 17  1  0  0  0  0
 23 17  2  0  0  0  0
 24  7  1  0  0  0  0
 25  6  1  0  0  0  0
 26 24  1  0  0  0  0
 27 21  1  0  0  0  0
 28 27  1  0  0  0  0
  7  3  2  0  0  0  0
 19 13  1  0  0  0  0
 26 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,736)
1736

>  <Formula> (1,736)
C20H22N2O5S

>  <MolWeight> (1,736)
402.46408

>  <COMPOUND_NAME> (1,736)
WAY-330834

>  <BAR_CODE_NO> (1,736)
305835

$$$$
WAY-332656
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
    8.5417   -6.8667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1667   -6.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8375   -8.7167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4500   -7.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6125   -8.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6417   -4.2250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8792   -5.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2542   -6.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4292   -3.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2917   -6.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7375   -5.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9125   -1.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8042   -4.1167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3667   -8.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4667  -10.6250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.5167   -4.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7167   -1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -9.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -2.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8750  -11.6917    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6500   -6.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2542    0.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667   -7.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1417   -8.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9667    1.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  2  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  4  1  0  0  0  0
  9  6  2  0  0  0  0
 10  7  1  0  0  0  0
 11  9  1  0  0  0  0
 12  9  1  0  0  0  0
 13  7  2  0  0  0  0
 14 10  1  0  0  0  0
 15  5  1  0  0  0  0
 16 11  1  0  0  0  0
 17 12  2  0  0  0  0
 18 14  2  0  0  0  0
 19 17  1  0  0  0  0
 20 18  1  0  0  0  0
 21 10  2  0  0  0  0
 22 17  1  0  0  0  0
 23 21  1  0  0  0  0
 24 23  2  0  0  0  0
 25 22  1  0  0  0  0
  5  4  1  0  0  0  0
  8 11  2  0  0  0  0
 24 18  1  0  0  0  0
 19 16  2  0  0  0  0
M  END
>  <Mol_ID> (1,737)
1737

>  <Formula> (1,737)
C18H13ClN4O2

>  <MolWeight> (1,737)
352.77442

>  <COMPOUND_NAME> (1,737)
WAY-332656

>  <BAR_CODE_NO> (1,737)
307657

$$$$
WAY-642675
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -0.7208    2.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4250   -1.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1708    1.5125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4250    0.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4708    2.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1250   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667   -2.0667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292    0.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9500    3.5833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2333    0.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5333    1.9583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167    3.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2292   -1.1125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4708    4.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0792   -3.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9333   -0.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167    3.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4875   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7167   -2.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5292   -2.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8250   -3.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667   -3.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0167   -4.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  6  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  8  2  0  0  0  0
  7  2  1  0  0  0  0
  8  4  1  0  0  0  0
  9  5  1  0  0  0  0
 10  4  2  0  0  0  0
 11  1  2  0  0  0  0
 12  5  2  0  0  0  0
 13  2  2  0  0  0  0
 14  9  1  0  0  0  0
 15 20  1  0  0  0  0
 16 18  2  0  0  0  0
 17 12  1  0  0  0  0
 18 10  1  0  0  0  0
 19  7  1  0  0  0  0
 20 19  2  0  0  0  0
 21 24  1  0  0  0  0
 22 10  1  0  0  0  0
 23 19  1  0  0  0  0
 24 23  2  0  0  0  0
 14 17  2  0  0  0  0
  6 16  1  0  0  0  0
 21 15  2  0  0  0  0
M  END
>  <Mol_ID> (1,738)
1738

>  <Formula> (1,738)
C18H15N3O3

>  <MolWeight> (1,738)
321.33

>  <COMPOUND_NAME> (1,738)
WAY-642675

>  <BAR_CODE_NO> (1,738)
90477237

$$$$
WAY-331189
csChFnd80/06171916322D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -6.0625    9.7750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9500   10.5792    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -4.6625   11.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7292   12.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7417    9.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6875   13.0917    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -5.6417    7.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9667    7.5417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1708    6.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6125   10.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7667    4.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0083    7.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0167    8.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6125   11.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7083    7.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8083    3.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2708    5.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7375   14.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2917    2.9833    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -5.4708   15.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3750    1.6958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3292   16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8625    5.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9208    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8  5  1  0  0  0  0
  9  7  2  0  0  0  0
 10  5  2  0  0  0  0
 11  9  1  0  0  0  0
 12  8  1  0  0  0  0
 13 10  1  0  0  0  0
 14  3  2  0  0  0  0
 15  7  1  0  0  0  0
 16 17  1  0  0  0  0
 17 15  2  0  0  0  0
 18  4  1  0  0  0  0
 19 11  1  0  0  0  0
 20  6  1  0  0  0  0
 21 16  1  0  0  0  0
 22 20  1  0  0  0  0
 23 12  1  0  0  0  0
 24 21  1  0  0  0  0
  6  4  1  0  0  0  0
 11 16  2  0  0  0  0
 22 18  1  0  0  0  0
 13 12  2  0  0  0  0
M  END
>  <Mol_ID> (1,739)
1739

>  <Formula> (1,739)
C18H19ClN2O3

>  <MolWeight> (1,739)
346.80806

>  <COMPOUND_NAME> (1,739)
WAY-331189

>  <BAR_CODE_NO> (1,739)
306190

$$$$
WAY-623981
csChFnd80/06171916322D

 34 38  0  0  0  0  0  0  0  0999 V2000
   -1.1458    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583    0.7625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6250    1.1750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8125   -2.7292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458    1.8458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583    1.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958   -0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542   -2.1167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458   -0.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000   -3.2792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4250   -2.1750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458   -2.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167   -1.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3625   -3.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958    2.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3125    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0375   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1000   -1.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2083   -0.4417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1667   -3.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458    3.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2083    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2250    2.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667    1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292    2.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8917    3.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6625   -4.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1000    4.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4583    3.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7250   -3.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083    4.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6417    3.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4667   -4.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  8  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  2  0  0  0  0
  7  1  1  0  0  0  0
  8 12  1  0  0  0  0
  9  7  1  0  0  0  0
 10  4  2  0  0  0  0
 11  4  2  0  0  0  0
 12 18  1  0  0  0  0
 13 17  1  0  0  0  0
 14  4  1  0  0  0  0
 15  5  1  0  0  0  0
 16  6  1  0  0  0  0
 17  9  1  0  0  0  0
 18  9  1  0  0  0  0
 19  7  2  0  0  0  0
 20 14  2  0  0  0  0
 21 14  1  0  0  0  0
 22 15  1  0  0  0  0
 23 15  2  0  0  0  0
 24 16  2  0  0  0  0
 25 16  1  0  0  0  0
 26 25  2  0  0  0  0
 27 24  1  0  0  0  0
 28 21  2  0  0  0  0
 29 22  2  0  0  0  0
 30 23  1  0  0  0  0
 31 20  1  0  0  0  0
 32 30  2  0  0  0  0
 33 26  1  0  0  0  0
 34 28  1  0  0  0  0
  5  6  1  0  0  0  0
  8 13  1  0  0  0  0
 32 29  1  0  0  0  0
 33 27  2  0  0  0  0
 34 31  2  0  0  0  0
M  END
>  <Mol_ID> (1,740)
1740

>  <Formula> (1,740)
C25H23N5O3S

>  <MolWeight> (1,740)
473.54682

>  <COMPOUND_NAME> (1,740)
WAY-623981

>  <BAR_CODE_NO> (1,740)
90458155

$$$$
WAY-330661
csChFnd80/06171916322D

 30 32  0  0  0  0  0  0  0  0999 V2000
   12.7500   -1.1750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.0125   -1.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8750   -2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.8625   -0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6375   -2.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4875   -1.1750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9500   -5.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6875   -5.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7500    0.0875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7500   -2.4375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8000   -4.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1625   -3.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5750   -4.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0500   -4.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8000   -2.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5750   -6.6375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8500   -2.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8500   -4.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9500   -3.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0500   -2.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6875   -3.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4750   -3.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5750   -2.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9125   -3.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1625   -1.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6250    1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1250   -3.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2875   -4.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8000   -0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  5  2  0  0  0  0
  4  2  2  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  1  1  0  0  0  0
  8 14  1  0  0  0  0
  9  8  1  0  0  0  0
 10  1  2  0  0  0  0
 11  1  2  0  0  0  0
 12 15  1  0  0  0  0
 13 12  2  0  0  0  0
 14 20  1  0  0  0  0
 15  9  1  0  0  0  0
 16 21  2  0  0  0  0
 17  8  2  0  0  0  0
 18  7  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  2  0  0  0  0
 21 22  1  0  0  0  0
 22 15  2  0  0  0  0
 23 18  2  0  0  0  0
 24 18  1  0  0  0  0
 25 13  1  0  0  0  0
 26 16  1  0  0  0  0
 27  4  1  0  0  0  0
 28  5  1  0  0  0  0
 29 25  1  0  0  0  0
 30 26  1  0  0  0  0
  3  6  1  0  0  0  0
 19 14  2  0  0  0  0
 16 13  1  0  0  0  0
M  END
>  <Mol_ID> (1,741)
1741

>  <Formula> (1,741)
C20H21N3O6S

>  <MolWeight> (1,741)
431.46224

>  <COMPOUND_NAME> (1,741)
WAY-330661

>  <BAR_CODE_NO> (1,741)
305662

$$$$
WAY-331598
csChFnd80/06171916322D

 34 37  0  0  0  0  0  0  0  0999 V2000
   12.8125   -9.6125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.5875  -10.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0500   -8.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5375   -8.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3375  -13.2750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.1125  -10.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7625   -9.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1125  -12.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5750  -12.3958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2375   -9.6125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1750   -9.6125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.1375   -8.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4875  -10.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8125   -6.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4625   -8.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4625  -10.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9500   -8.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9500  -10.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5375  -10.9375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6625   -9.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0500   -5.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3375   -6.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3375   -4.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8125   -4.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1000   -5.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -9.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6750  -12.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1000   -3.0250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9125   -8.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9125  -10.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3375   -1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3875   -8.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3875  -10.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6125   -9.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  8  2  0  0  0  0
  6  2  2  0  0  0  0
  7  4  1  0  0  0  0
  8  2  1  0  0  0  0
  9  6  1  0  0  0  0
 10  7  1  0  0  0  0
 11 18  1  0  0  0  0
 12  1  2  0  0  0  0
 13  1  2  0  0  0  0
 14  3  1  0  0  0  0
 15 10  1  0  0  0  0
 16 10  1  0  0  0  0
 17 15  1  0  0  0  0
 18 16  1  0  0  0  0
 19  7  2  0  0  0  0
 20 11  1  0  0  0  0
 21 14  1  0  0  0  0
 22 14  2  0  0  0  0
 23 25  2  0  0  0  0
 24 21  2  0  0  0  0
 25 22  1  0  0  0  0
 26  6  1  0  0  0  0
 27  8  1  0  0  0  0
 28 23  1  0  0  0  0
 29 20  2  0  0  0  0
 30 20  1  0  0  0  0
 31 28  1  0  0  0  0
 32 29  1  0  0  0  0
 33 30  2  0  0  0  0
 34 33  1  0  0  0  0
  5  9  1  0  0  0  0
 24 23  1  0  0  0  0
 17 11  1  0  0  0  0
 34 32  2  0  0  0  0
M  END
>  <Mol_ID> (1,742)
1742

>  <Formula> (1,742)
C24H28N4O5S

>  <MolWeight> (1,742)
484.56792

>  <COMPOUND_NAME> (1,742)
WAY-331598

>  <BAR_CODE_NO> (1,742)
306599

$$$$
WAY-641687
csChFnd80/06171916322D

 23 26  0  0  0  0  0  0  0  0999 V2000
   -0.2625    2.3333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167    2.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042    2.7375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167    3.4083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2625   -1.1917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792   -1.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2625    3.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083   -0.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2625   -0.3667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792   -0.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7750    1.2875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9833    1.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2250   -2.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9833    3.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2250    0.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6958    2.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6958    3.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7750   -2.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833   -3.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167   -3.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8375   -3.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458   -4.5792    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  7  2  0  0  0  0
  5  9  1  0  0  0  0
  6  8  1  0  0  0  0
  7  1  1  0  0  0  0
  8 10  1  0  0  0  0
  9 10  2  0  0  0  0
 10 15  1  0  0  0  0
 11  2  1  0  0  0  0
 12  1  1  0  0  0  0
 13  6  1  0  0  0  0
 14  7  1  0  0  0  0
 15 11  1  0  0  0  0
 16 12  2  0  0  0  0
 17 16  1  0  0  0  0
 18 13  1  0  0  0  0
 19 13  2  0  0  0  0
 20 22  2  0  0  0  0
 21 18  2  0  0  0  0
 22 19  1  0  0  0  0
 23 20  1  0  0  0  0
  4  3  1  0  0  0  0
 17 14  2  0  0  0  0
  5  6  2  0  0  0  0
 21 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,743)
1743

>  <Formula> (1,743)
C15H10FN5OS

>  <MolWeight> (1,743)
327.3362032

>  <COMPOUND_NAME> (1,743)
WAY-641687

>  <BAR_CODE_NO> (1,743)
90476239

$$$$
WAY-643327
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
    1.6292   -2.5750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3792   -1.7917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8875   -3.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667   -0.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083    3.8083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0250    3.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6125    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6667   -3.6167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2958    2.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4167   -2.3167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8500   -2.8292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9292   -1.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667   -1.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2958    3.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4042   -4.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167   -0.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6750   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6667   -4.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667    1.1750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8875   -4.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2583    1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4500    1.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0083    2.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0083    3.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7250    2.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7250    3.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  6  8  2  0  0  0  0
  7  4  1  0  0  0  0
  8 23  1  0  0  0  0
  9  3  1  0  0  0  0
 10  8  1  0  0  0  0
 11  1  2  0  0  0  0
 12  1  2  0  0  0  0
 13  2  1  0  0  0  0
 14  2  1  0  0  0  0
 15 10  2  0  0  0  0
 16  3  2  0  0  0  0
 17 14  1  0  0  0  0
 18 13  1  0  0  0  0
 19  9  1  0  0  0  0
 20  7  2  0  0  0  0
 21 16  1  0  0  0  0
 22  7  1  0  0  0  0
 23 24  1  0  0  0  0
 24 22  1  0  0  0  0
 25 10  1  0  0  0  0
 26 15  1  0  0  0  0
 27 25  2  0  0  0  0
 28 27  1  0  0  0  0
 19 21  2  0  0  0  0
  4 18  1  0  0  0  0
 15  5  1  0  0  0  0
 28 26  2  0  0  0  0
M  END
>  <Mol_ID> (1,744)
1744

>  <Formula> (1,744)
C20H23N3O3S2

>  <MolWeight> (1,744)
417.54492

>  <COMPOUND_NAME> (1,744)
WAY-643327

>  <BAR_CODE_NO> (1,744)
90477898

$$$$
WAY-278420
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.5277   -0.2033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7622   -0.9137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0104    0.1967    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1896   -0.1930    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1415   -1.3275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4104   -0.9240    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0415    0.8863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6484    0.1449    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4001    0.2208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4275   -0.8551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9898   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3898    1.5070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3415    0.8760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2516   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0484    2.1380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0378    1.5380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2516   -1.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8585   -0.5275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3001    2.1380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8585   -1.9275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4585   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2206    2.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4585   -1.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  3  9  2  0  0  0  0
  4 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  2  0  0  0  0
 10 14  1  0  0  0  0
 12 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  1  0  0  0  0
 17 20  2  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
  5 10  1  0  0  0  0
 16 19  2  0  0  0  0
 21 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,745)
1745

>  <Formula> (1,745)
C17H16N2O3S

>  <MolWeight> (1,745)
328.38554

>  <COMPOUND_NAME> (1,745)
WAY-278420

>  <BAR_CODE_NO> (1,745)
389075

$$$$
WAY-330606
csChFnd80/06171916322D

 33 37  0  0  0  0  0  0  0  0999 V2000
    5.4167   -2.3125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9417   -2.9917    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.9250   -1.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1500   -2.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1417   -1.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2042   -3.7750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5792   -5.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3125   -4.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3917   -5.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6667   -4.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2500   -2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8542   -4.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9292   -5.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9042   -3.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1667   -0.8542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000   -4.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7167   -3.8792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0542   -5.0417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8042   -4.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4875   -3.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6667   -3.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6667   -4.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0292   -6.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6542   -6.5667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042   -4.6875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2542   -3.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4167   -1.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4375   -3.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2250   -6.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1167   -7.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2417   -3.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7042   -2.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7042   -1.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  9  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  2  0  0  0  0
 10  6  1  0  0  0  0
 11  1  1  0  0  0  0
 12 10  2  0  0  0  0
 13 10  1  0  0  0  0
 14 20  2  0  0  0  0
 15  3  2  0  0  0  0
 16 22  2  0  0  0  0
 17 14  1  0  0  0  0
 18 16  1  0  0  0  0
 19 17  1  0  0  0  0
 20 21  1  0  0  0  0
 21 11  1  0  0  0  0
 22 26  1  0  0  0  0
 23  7  1  0  0  0  0
 24  9  1  0  0  0  0
 25  8  1  0  0  0  0
 26 21  2  0  0  0  0
 27  5  2  0  0  0  0
 28  4  2  0  0  0  0
 29 23  1  0  0  0  0
 30 24  1  0  0  0  0
 31 25  1  0  0  0  0
 32 28  1  0  0  0  0
 33 27  1  0  0  0  0
  5  4  1  0  0  0  0
 33 32  2  0  0  0  0
 14 16  1  0  0  0  0
  8  7  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,746)
1746

>  <Formula> (1,746)
C25H24N2O6

>  <MolWeight> (1,746)
448.46786

>  <COMPOUND_NAME> (1,746)
WAY-330606

>  <BAR_CODE_NO> (1,746)
305607

$$$$
WAY-624605
csChFnd80/06171916322D

 31 36  0  0  0  0  0  0  0  0999 V2000
   -0.7875   -0.5542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -0.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7875    0.2708    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.5000    0.6833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2208   -0.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708   -0.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2208    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6417   -0.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3542   -0.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6417    1.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708    1.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -1.7917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3542   -1.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3542    1.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708   -1.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667   -0.5542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6417    2.7458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6417    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667   -2.2042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667    1.9208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6417   -2.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3542    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9333   -0.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9333    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7875   -0.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3542    3.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667    2.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7875   -1.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6458   -0.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6458    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8  3  1  0  0  0  0
  9  6  2  0  0  0  0
 10  9  1  0  0  0  0
 11 12  1  0  0  0  0
 12  8  2  0  0  0  0
 13  2  2  0  0  0  0
 14 22  1  0  0  0  0
 15 23  1  0  0  0  0
 16  6  1  0  0  0  0
 17 10  1  0  0  0  0
 18 11  1  0  0  0  0
 19  8  1  0  0  0  0
 20 14  1  0  0  0  0
 21 15  1  0  0  0  0
 22 16  2  0  0  0  0
 23 19  2  0  0  0  0
 24  5  1  0  0  0  0
 25  7  1  0  0  0  0
 26 17  1  0  0  0  0
 27 18  1  0  0  0  0
 28 21  1  0  0  0  0
 29 20  1  0  0  0  0
 30 24  2  0  0  0  0
 31 25  2  0  0  0  0
  5  7  2  0  0  0  0
 14 10  2  0  0  0  0
 15 11  2  0  0  0  0
 30 31  1  0  0  0  0
 26 29  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (1,747)
1747

>  <Formula> (1,747)
C24H20N2O5

>  <MolWeight> (1,747)
416.426

>  <COMPOUND_NAME> (1,747)
WAY-624605

>  <BAR_CODE_NO> (1,747)
90458781

$$$$
WAY-624639
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.7833   -0.6542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2625    0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2625   -1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6917    0.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5167    0.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0458   -1.0667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.0458   -0.2417    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2792    0.0583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0667    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542    0.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417   -0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3625    1.5250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.6875    1.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9750    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083    0.7958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083   -2.1042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8750    0.4208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417    0.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4750   -1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4750   -0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8167   -0.5375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7625   -1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7625    0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  8  1  0  0  0  0
  5  4  2  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8 10  1  0  0  0  0
  9  5  1  0  0  0  0
 10 11  1  0  0  0  0
 11  1  1  0  0  0  0
 12  4  1  0  0  0  0
 13  5  1  0  0  0  0
 14 12  1  0  0  0  0
 15  2  2  0  0  0  0
 16  3  2  0  0  0  0
 17  9  2  0  0  0  0
 18 10  2  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21  9  1  0  0  0  0
 22  6  1  0  0  0  0
 23  7  1  0  0  0  0
  6  7  1  0  0  0  0
 19 20  2  0  0  0  0
 14 13  2  0  0  0  0
M  END
>  <Mol_ID> (1,748)
1748

>  <Formula> (1,748)
C15H15N3O4S

>  <MolWeight> (1,748)
333.3623

>  <COMPOUND_NAME> (1,748)
WAY-624639

>  <BAR_CODE_NO> (1,748)
90458815

$$$$
WAY-616663
csChFnd80/06171916322D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -0.3875    1.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3250    1.4292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3875    0.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3250    2.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3875   -1.4583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0417   -1.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3250   -1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1250   -2.2792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3250   -0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917    2.7375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1042   -0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1042   -1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7958   -1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3417    2.7375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9333   -2.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3458   -1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1042    1.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7375    3.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0875    3.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8167    0.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8167   -1.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2708   -3.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5333   -0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5333   -1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5 12  1  0  0  0  0
  6  7  1  0  0  0  0
  7  9  1  0  0  0  0
  8  6  1  0  0  0  0
  9  3  2  0  0  0  0
 10  4  2  0  0  0  0
 11  3  1  0  0  0  0
 12 11  2  0  0  0  0
 13  6  2  0  0  0  0
 14  4  1  0  0  0  0
 15  8  1  0  0  0  0
 16 13  1  0  0  0  0
 17  1  2  0  0  0  0
 18 10  1  0  0  0  0
 19 14  1  0  0  0  0
 20 11  1  0  0  0  0
 21 12  1  0  0  0  0
 22 15  1  0  0  0  0
 23 20  2  0  0  0  0
 24 23  1  0  0  0  0
  7  5  2  0  0  0  0
 18 19  2  0  0  0  0
 21 24  2  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <Mol_ID> (1,749)
1749

>  <Formula> (1,749)
C18H13N3O2S

>  <MolWeight> (1,749)
335.37972

>  <COMPOUND_NAME> (1,749)
WAY-616663

>  <BAR_CODE_NO> (1,749)
90450655

$$$$
WAY-332733
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
    4.3625   -2.3667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1417   -2.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0125   -3.7417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1417   -1.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1125   -3.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8750   -1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2875   -0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0042   -2.0917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5750   -1.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0125   -4.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8542   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8542   -2.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0042   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3542   -1.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7250   -3.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3000   -3.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5750   -2.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7292   -4.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6667   -3.7667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2792   -0.0292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2917   -2.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7250   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4417   -4.5542    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3042   -3.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3000   -4.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7292   -5.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3000   -5.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0167   -6.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3 15  1  0  0  0  0
  4  2  2  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  9  1  0  0  0  0
  8 13  1  0  0  0  0
  9 17  1  0  0  0  0
 10  3  1  0  0  0  0
 11  4  1  0  0  0  0
 12  2  1  0  0  0  0
 13  7  1  0  0  0  0
 14  6  1  0  0  0  0
 15 22  1  0  0  0  0
 16 21  1  0  0  0  0
 17 12  2  0  0  0  0
 18 10  1  0  0  0  0
 19  5  2  0  0  0  0
 20  7  2  0  0  0  0
 21  8  1  0  0  0  0
 22  8  1  0  0  0  0
 23 18  1  0  0  0  0
 24  5  1  0  0  0  0
 25 10  2  0  0  0  0
 26 18  2  0  0  0  0
 27 25  1  0  0  0  0
 28 27  2  0  0  0  0
  4 14  1  0  0  0  0
  9 11  2  0  0  0  0
 16  3  1  0  0  0  0
 26 28  1  0  0  0  0
M  END
>  <Mol_ID> (1,750)
1750

>  <Formula> (1,750)
C22H24FN3O2

>  <MolWeight> (1,750)
381.4432632

>  <COMPOUND_NAME> (1,750)
WAY-332733

>  <BAR_CODE_NO> (1,750)
307734

$$$$
WAY-331030
csChFnd80/06171916322D

 30 32  0  0  0  0  0  0  0  0999 V2000
   12.5875   -2.1375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.4500    3.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9500   -4.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7875   -5.3000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.7750    1.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9875   -0.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1125   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7250    0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8500    4.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8125    2.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3375   -0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1375   -2.6375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0875   -1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4250    1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6375   -6.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000    1.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0250    0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6875   -7.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6375    5.4375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1750   -5.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9250   -5.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4500   -5.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4625    4.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7625   -3.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9750   -6.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7250   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6875   -4.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2125   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2125   -4.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4875   -5.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5 14  1  0  0  0  0
  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8 11  1  0  0  0  0
  9  2  1  0  0  0  0
 10 16  1  0  0  0  0
 11  6  2  0  0  0  0
 12  1  2  0  0  0  0
 13  1  2  0  0  0  0
 14 17  2  0  0  0  0
 15  7  1  0  0  0  0
 16  8  1  0  0  0  0
 17  6  1  0  0  0  0
 18  7  2  0  0  0  0
 19  9  2  0  0  0  0
 20  4  1  0  0  0  0
 21 15  1  0  0  0  0
 22 21  1  0  0  0  0
 23  9  1  0  0  0  0
 24 20  1  0  0  0  0
 25 20  1  0  0  0  0
 26 22  2  0  0  0  0
 27 22  1  0  0  0  0
 28 26  1  0  0  0  0
 29 27  2  0  0  0  0
 30 29  1  0  0  0  0
  5  8  2  0  0  0  0
  2 10  1  0  0  0  0
 28 30  2  0  0  0  0
M  END
>  <Mol_ID> (1,751)
1751

>  <Formula> (1,751)
C22H27N3O4S

>  <MolWeight> (1,751)
429.53248

>  <COMPOUND_NAME> (1,751)
WAY-331030

>  <BAR_CODE_NO> (1,751)
306031

$$$$
WAY-331069
csChFnd80/06171916322D

 28 30  0  0  0  0  0  0  0  0999 V2000
   10.6250   -5.9250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.3875   -6.1125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4625   -5.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5625   -5.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9875   -6.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1000   -5.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4875   -7.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0375   -6.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8000   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9875   -5.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6250   -6.8750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6250   -4.9875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6750   -5.9125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8500   -4.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.6250   -7.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0375   -5.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2625   -5.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -5.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3750   -3.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2875   -3.4375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2125   -5.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4250   -3.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500   -2.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9000   -4.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3750   -1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8500   -2.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4375   -1.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0125   -2.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3 10  1  0  0  0  0
  4  1  1  0  0  0  0
  5  8  1  0  0  0  0
  6  2  1  0  0  0  0
  7 15  1  0  0  0  0
  8  4  2  0  0  0  0
  9 17  1  0  0  0  0
 10 16  2  0  0  0  0
 11  1  2  0  0  0  0
 12  1  2  0  0  0  0
 13  1  1  0  0  0  0
 14  9  1  0  0  0  0
 15  5  1  0  0  0  0
 16  4  1  0  0  0  0
 17 21  1  0  0  0  0
 18  6  2  0  0  0  0
 19 14  1  0  0  0  0
 20  9  2  0  0  0  0
 21 13  1  0  0  0  0
 22 19  2  0  0  0  0
 23 22  1  0  0  0  0
 24  6  1  0  0  0  0
 25 26  2  0  0  0  0
 26 19  1  0  0  0  0
 27 25  1  0  0  0  0
 28 23  1  0  0  0  0
  3  5  2  0  0  0  0
  2  7  1  0  0  0  0
 23 27  2  0  0  0  0
M  END
>  <Mol_ID> (1,752)
1752

>  <Formula> (1,752)
C20H23N3O4S

>  <MolWeight> (1,752)
401.47932

>  <COMPOUND_NAME> (1,752)
WAY-331069

>  <BAR_CODE_NO> (1,752)
306070

$$$$
WAY-333952
csChFnd80/06171916322D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -0.7125    3.0208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1208    2.1833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4625    1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    2.7583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7958    1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5375    0.9208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667    3.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7125    0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708    3.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583    2.2250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6750    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375    4.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792    2.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6292    3.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0250    4.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542    2.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4167    4.0292    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3 11  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  2  0  0  0  0
  6  8  1  0  0  0  0
  7  1  1  0  0  0  0
  8  3  2  0  0  0  0
  9  1  2  0  0  0  0
 10  1  2  0  0  0  0
 11  4  1  0  0  0  0
 12  7  1  0  0  0  0
 13  7  2  0  0  0  0
 14 16  2  0  0  0  0
 15 12  2  0  0  0  0
 16 13  1  0  0  0  0
 17 14  1  0  0  0  0
 18  5  1  0  0  0  0
 15 14  1  0  0  0  0
  6  5  1  0  0  0  0
M  END
>  <Mol_ID> (1,753)
1753

>  <Formula> (1,753)
C11H11BrN2O2S2

>  <MolWeight> (1,753)
347.25124

>  <COMPOUND_NAME> (1,753)
WAY-333952

>  <BAR_CODE_NO> (1,753)
308953

$$$$
WAY-333953
csChFnd80/06171916322D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -0.7125    3.0208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1208    2.1833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4625    1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    2.7583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7958    1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5375    0.9208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667    3.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7125    0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708    3.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583    2.2250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6750    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417    4.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792    2.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6250    3.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0167    4.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542    2.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4042    4.0250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3 11  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  2  0  0  0  0
  6  8  1  0  0  0  0
  7  1  1  0  0  0  0
  8  3  2  0  0  0  0
  9  1  2  0  0  0  0
 10  1  2  0  0  0  0
 11  4  1  0  0  0  0
 12  7  1  0  0  0  0
 13  7  2  0  0  0  0
 14 16  2  0  0  0  0
 15 12  2  0  0  0  0
 16 13  1  0  0  0  0
 17 14  1  0  0  0  0
 18  5  1  0  0  0  0
 15 14  1  0  0  0  0
  6  5  1  0  0  0  0
M  END
>  <Mol_ID> (1,754)
1754

>  <Formula> (1,754)
C11H11ClN2O2S2

>  <MolWeight> (1,754)
302.80024

>  <COMPOUND_NAME> (1,754)
WAY-333953

>  <BAR_CODE_NO> (1,754)
308954

$$$$
WAY-333957
csChFnd80/06171916322D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -0.7125    3.0208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1208    2.1833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4625    1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    2.7583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7958    1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5375    0.9208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667    3.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7125    0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708    3.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583    2.2250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6750    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417    4.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792    2.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0167    4.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542    2.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6292    3.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4125    4.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3 11  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  2  0  0  0  0
  6  8  1  0  0  0  0
  7  1  1  0  0  0  0
  8  3  2  0  0  0  0
  9  1  2  0  0  0  0
 10  1  2  0  0  0  0
 11  4  1  0  0  0  0
 12  7  1  0  0  0  0
 13  7  2  0  0  0  0
 14 12  2  0  0  0  0
 15 13  1  0  0  0  0
 16 15  2  0  0  0  0
 17  5  1  0  0  0  0
 18 16  1  0  0  0  0
 14 16  1  0  0  0  0
  6  5  1  0  0  0  0
M  END
>  <Mol_ID> (1,755)
1755

>  <Formula> (1,755)
C12H14N2O2S2

>  <MolWeight> (1,755)
282.38176

>  <COMPOUND_NAME> (1,755)
WAY-333957

>  <BAR_CODE_NO> (1,755)
308958

$$$$
WAY-333956
csChFnd80/06171916322D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -0.7125    3.0208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1208    2.1833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4625    1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    2.7583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7958    1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5375    0.9208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667    3.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7125    0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708    3.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583    2.2250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6750    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375    4.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792    2.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6250    3.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0167    4.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542    2.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4042    4.0250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5750    4.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3 11  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  2  0  0  0  0
  6  8  1  0  0  0  0
  7  1  1  0  0  0  0
  8  3  2  0  0  0  0
  9  1  2  0  0  0  0
 10  1  2  0  0  0  0
 11  4  1  0  0  0  0
 12  7  1  0  0  0  0
 13  7  2  0  0  0  0
 14 16  2  0  0  0  0
 15 12  2  0  0  0  0
 16 13  1  0  0  0  0
 17 14  1  0  0  0  0
 18  5  1  0  0  0  0
 19 17  1  0  0  0  0
 15 14  1  0  0  0  0
  6  5  1  0  0  0  0
M  END
>  <Mol_ID> (1,756)
1756

>  <Formula> (1,756)
C12H14N2O3S2

>  <MolWeight> (1,756)
298.38116

>  <COMPOUND_NAME> (1,756)
WAY-333956

>  <BAR_CODE_NO> (1,756)
308957

$$$$
WAY-615880
csChFnd80/06171916322D

 24 27  0  0  0  0  0  0  0  0999 V2000
    1.7250    0.2958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2958    0.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0083    0.7083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7250   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2958   -0.5292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208    0.7083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2792    0.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2792    1.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0625    0.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4375   -0.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0083   -0.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0625    1.7875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5458    1.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5625    0.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5625    1.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1542   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4375   -1.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1333    0.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8500    0.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8667   -1.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8500    1.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1542   -2.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8667   -0.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5833   -2.1792    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5 11  1  0  0  0  0
  6  2  2  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
  9  7  1  0  0  0  0
 10  4  1  0  0  0  0
 11  4  1  0  0  0  0
 12  8  1  0  0  0  0
 13  9  1  0  0  0  0
 14 19  2  0  0  0  0
 15 21  2  0  0  0  0
 16 10  1  0  0  0  0
 17 10  2  0  0  0  0
 18  6  1  0  0  0  0
 19 18  1  0  0  0  0
 20 22  2  0  0  0  0
 21 19  1  0  0  0  0
 22 17  1  0  0  0  0
 23 16  2  0  0  0  0
 24 20  1  0  0  0  0
  2  5  1  0  0  0  0
 20 23  1  0  0  0  0
  7  8  2  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <Mol_ID> (1,757)
1757

>  <Formula> (1,757)
C17H14ClN3O2S

>  <MolWeight> (1,757)
359.82996

>  <COMPOUND_NAME> (1,757)
WAY-615880

>  <BAR_CODE_NO> (1,757)
90449852

$$$$
WAY-623893
csChFnd80/06171916322D

 32 36  0  0  0  0  0  0  0  0999 V2000
    1.1500   -1.6292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9750   -1.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5625   -0.3625    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.8917   -0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6667   -2.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5625    0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2292   -0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000   -3.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167   -3.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292    2.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0083    3.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083   -3.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292    2.9375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8500    0.8750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4625   -2.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833    3.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8500   -4.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2958    2.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0083    4.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1583   -2.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2792    0.8750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7875   -4.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833    1.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6375   -2.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2958    4.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8500    1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833    4.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7958    3.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2833    3.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7958    4.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667   -5.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583   -5.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8  5  2  0  0  0  0
  9  8  1  0  0  0  0
 10 26  1  0  0  0  0
 11 18  1  0  0  0  0
 12 24  1  0  0  0  0
 13 10  1  0  0  0  0
 14  6  1  0  0  0  0
 15  2  2  0  0  0  0
 16 13  1  0  0  0  0
 17  9  1  0  0  0  0
 18 16  2  0  0  0  0
 19 25  1  0  0  0  0
 20  5  1  0  0  0  0
 21  6  2  0  0  0  0
 22 12  1  0  0  0  0
 23 10  2  0  0  0  0
 24 20  2  0  0  0  0
 25 27  2  0  0  0  0
 26 14  1  0  0  0  0
 27 16  1  0  0  0  0
 28 11  1  0  0  0  0
 29 28  1  0  0  0  0
 30 19  1  0  0  0  0
 31 17  1  0  0  0  0
 32 22  1  0  0  0  0
  7  3  1  0  0  0  0
 12  9  2  0  0  0  0
 31 32  1  0  0  0  0
 19 11  2  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (1,758)
1758

>  <Formula> (1,758)
C24H24N2O6

>  <MolWeight> (1,758)
436.45716

>  <COMPOUND_NAME> (1,758)
WAY-623893

>  <BAR_CODE_NO> (1,758)
90458065

$$$$
WAY-333962
csChFnd80/06171916322D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -0.7125    3.0208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667    3.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1208    2.1833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4625    1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    2.7583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7958    1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5375    0.9208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417    4.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7125    0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583    2.2250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708    3.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792    2.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6750    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542    2.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0167    4.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6292    3.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042    1.9125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1875    5.1167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167    1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792    5.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4 13  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  2  0  0  0  0
  7  9  1  0  0  0  0
  8  2  1  0  0  0  0
  9  4  2  0  0  0  0
 10  1  2  0  0  0  0
 11  1  2  0  0  0  0
 12  2  2  0  0  0  0
 13  5  1  0  0  0  0
 14 12  1  0  0  0  0
 15  8  2  0  0  0  0
 16 14  2  0  0  0  0
 17 12  1  0  0  0  0
 18 15  1  0  0  0  0
 19  6  1  0  0  0  0
 20 17  1  0  0  0  0
 21 18  1  0  0  0  0
 16 15  1  0  0  0  0
  7  6  1  0  0  0  0
M  END
>  <Mol_ID> (1,759)
1759

>  <Formula> (1,759)
C13H16N2O4S2

>  <MolWeight> (1,759)
328.40714

>  <COMPOUND_NAME> (1,759)
WAY-333962

>  <BAR_CODE_NO> (1,759)
308963

$$$$
WAY-331858
csChFnd80/06171916322D

 32 35  0  0  0  0  0  0  0  0999 V2000
  -13.2500   -2.4542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2750    1.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8542   -4.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7125    2.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.6417   -0.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5417    0.9125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8750    0.0833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4667    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2083   -1.3167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4125    2.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0333   -2.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8292    1.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6875   -2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -14.8292   -2.8417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4750   -1.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.0000   -5.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9292   -0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9875    1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3167    3.5958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8208    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7625   -1.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3083   -3.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042   -2.6917    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  -11.3417   -4.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.5917   -4.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3958   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2083   -5.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.5542   -6.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6958   -4.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0000   -3.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8750   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0000   -7.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  8  1  0  0  0  0
  8  5  1  0  0  0  0
  9 20  1  0  0  0  0
 10 12  1  0  0  0  0
 11  9  1  0  0  0  0
 12  8  2  0  0  0  0
 13  1  2  0  0  0  0
 14  1  2  0  0  0  0
 15 11  2  0  0  0  0
 16  3  2  0  0  0  0
 17  6  1  0  0  0  0
 18  6  1  0  0  0  0
 19  4  2  0  0  0  0
 20 18  1  0  0  0  0
 21 17  1  0  0  0  0
 22 15  1  0  0  0  0
 23 22  1  0  0  0  0
 24  3  1  0  0  0  0
 25 16  1  0  0  0  0
 26 11  1  0  0  0  0
 27 26  2  0  0  0  0
 28 16  1  0  0  0  0
 29 27  1  0  0  0  0
 30 25  1  0  0  0  0
 31 24  2  0  0  0  0
 32 31  1  0  0  0  0
  2 10  2  0  0  0  0
 28 32  2  0  0  0  0
 21  9  1  0  0  0  0
 29 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,760)
1760

>  <Formula> (1,760)
C23H23ClN2O5S

>  <MolWeight> (1,760)
474.95712

>  <COMPOUND_NAME> (1,760)
WAY-331858

>  <BAR_CODE_NO> (1,760)
306859

$$$$
WAY-331862
csChFnd80/06171916322D

 33 36  0  0  0  0  0  0  0  0999 V2000
  -13.2500   -2.4542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5417    0.9125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2750    1.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7125    2.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2083   -1.3167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8542   -4.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.6417   -0.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8750    0.0833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4667    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8208    0.2333    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
  -11.4125    2.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9875    1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7625   -1.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8292    1.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6875   -2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -14.8292   -2.8417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0333   -2.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9292   -0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.0000   -5.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3167    3.5958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4750   -1.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4250   -4.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3083   -3.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2583   -5.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6958   -4.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3417   -4.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.5917   -4.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2583    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.5542   -6.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4750   -5.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0000   -3.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8750   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0000   -7.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  8  1  0  0  0  0
  4  3  1  0  0  0  0
  5 13  1  0  0  0  0
  6  1  1  0  0  0  0
  7  1  1  0  0  0  0
  8  9  1  0  0  0  0
  9  7  1  0  0  0  0
 10 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12  2  1  0  0  0  0
 13 18  1  0  0  0  0
 14  9  2  0  0  0  0
 15  1  2  0  0  0  0
 16  1  2  0  0  0  0
 17  5  1  0  0  0  0
 18  2  1  0  0  0  0
 19  6  2  0  0  0  0
 20  4  2  0  0  0  0
 21 17  1  0  0  0  0
 22 17  2  0  0  0  0
 23 21  2  0  0  0  0
 24 22  1  0  0  0  0
 25 24  2  0  0  0  0
 26  6  1  0  0  0  0
 27 19  1  0  0  0  0
 28 10  1  0  0  0  0
 29 19  1  0  0  0  0
 30 25  1  0  0  0  0
 31 27  1  0  0  0  0
 32 26  2  0  0  0  0
 33 32  1  0  0  0  0
  3 11  2  0  0  0  0
 29 33  2  0  0  0  0
 10  5  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,761)
1761

>  <Formula> (1,761)
C25H28N2O5S

>  <MolWeight> (1,761)
468.56522

>  <COMPOUND_NAME> (1,761)
WAY-331862

>  <BAR_CODE_NO> (1,761)
306863

$$$$
WAY-331856
csChFnd80/06171916322D

 33 36  0  0  0  0  0  0  0  0999 V2000
    4.6292   -5.4917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2042   -2.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9667   -6.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5542   -1.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2917   -4.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5625   -2.5792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6667   -3.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3042   -3.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5792   -4.5042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2042   -1.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5917   -5.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9875   -1.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9750   -5.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2625   -5.8167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9792   -7.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2292   -3.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8917   -2.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8792   -0.2542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9042   -3.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2375   -4.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9250   -5.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2792   -7.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6250   -7.4917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2542   -3.7042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2542   -6.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3542   -9.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9292   -6.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417   -8.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -3.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6667   -8.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2667   -7.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7042   -9.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6125   -7.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  8  1  0  0  0  0
  8  5  1  0  0  0  0
  9 19  1  0  0  0  0
 10 12  1  0  0  0  0
 11  9  1  0  0  0  0
 12  8  2  0  0  0  0
 13  1  2  0  0  0  0
 14  1  2  0  0  0  0
 15  3  2  0  0  0  0
 16  6  1  0  0  0  0
 17  6  1  0  0  0  0
 18  4  2  0  0  0  0
 19 17  1  0  0  0  0
 20 16  1  0  0  0  0
 21 11  1  0  0  0  0
 22  3  1  0  0  0  0
 23 15  1  0  0  0  0
 24 21  1  0  0  0  0
 25 11  2  0  0  0  0
 26 15  1  0  0  0  0
 27 21  2  0  0  0  0
 28 23  1  0  0  0  0
 29 24  1  0  0  0  0
 30 22  2  0  0  0  0
 31 25  1  0  0  0  0
 32 30  1  0  0  0  0
 33 31  2  0  0  0  0
  2 10  2  0  0  0  0
 26 32  2  0  0  0  0
 20  9  1  0  0  0  0
 27 33  1  0  0  0  0
M  END
>  <Mol_ID> (1,762)
1762

>  <Formula> (1,762)
C24H26N2O6S

>  <MolWeight> (1,762)
470.53804

>  <COMPOUND_NAME> (1,762)
WAY-331856

>  <BAR_CODE_NO> (1,762)
306857

$$$$
WAY-333979
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.7125    3.0208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7958    1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1208    2.1833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5375    0.9208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4625    1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    2.7583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7125    0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667    3.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583    2.2250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708    3.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6750    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9708    1.6458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375    4.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792    2.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6292    3.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1833    1.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0250    4.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542    2.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4167    4.0292    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -4.7458    2.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1292    2.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5208    3.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  5  1  0  0  0  0
  4  8  1  0  0  0  0
  5 12  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  5  2  0  0  0  0
  9  1  1  0  0  0  0
 10  1  2  0  0  0  0
 11  1  2  0  0  0  0
 12  6  1  0  0  0  0
 13 17  2  0  0  0  0
 14  9  1  0  0  0  0
 15  9  2  0  0  0  0
 16 19  2  0  0  0  0
 17  7  1  0  0  0  0
 18 14  2  0  0  0  0
 19 15  1  0  0  0  0
 20 16  1  0  0  0  0
 21  7  2  0  0  0  0
 22 23  2  0  0  0  0
 23 21  1  0  0  0  0
 18 16  1  0  0  0  0
  4  2  1  0  0  0  0
 22 13  1  0  0  0  0
M  END
>  <Mol_ID> (1,763)
1763

>  <Formula> (1,763)
C15H12BrN3O2S2

>  <MolWeight> (1,763)
410.30868

>  <COMPOUND_NAME> (1,763)
WAY-333979

>  <BAR_CODE_NO> (1,763)
308980

$$$$
WAY-624059
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
    1.1792   -0.5042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9625   -0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1792    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9125   -1.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1833   -1.5542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9625    0.5750    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4417   -0.0917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6958   -0.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9125   -1.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6958   -2.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5125   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458   -0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4375    1.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0083   -1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4208   -0.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2167   -1.5417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5125    0.8083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2375   -0.7542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0917    1.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333    0.1625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0833   -0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4083    0.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6958    0.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5667    2.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9750    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9500   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9500   -3.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2167    3.4208    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.2542    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7292    1.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3875    2.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4 12  1  0  0  0  0
  5  8  1  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8  4  2  0  0  0  0
  9  4  1  0  0  0  0
 10  9  2  0  0  0  0
 11  1  1  0  0  0  0
 12 11  1  0  0  0  0
 13  6  1  0  0  0  0
 14  5  1  0  0  0  0
 15 14  1  0  0  0  0
 16  2  2  0  0  0  0
 17  3  2  0  0  0  0
 18 15  1  0  0  0  0
 19 13  2  0  0  0  0
 20 12  2  0  0  0  0
 21 15  2  0  0  0  0
 22 18  1  0  0  0  0
 23 21  1  0  0  0  0
 24 19  1  0  0  0  0
 25  6  1  0  0  0  0
 26  8  1  0  0  0  0
 27 10  1  0  0  0  0
 28 24  1  0  0  0  0
 29 13  1  0  0  0  0
 30 29  2  0  0  0  0
 31 30  1  0  0  0  0
  6  7  1  0  0  0  0
  5 10  1  0  0  0  0
 31 24  2  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,764)
1764

>  <Formula> (1,764)
C23H22BrN3O4

>  <MolWeight> (1,764)
484.34248

>  <COMPOUND_NAME> (1,764)
WAY-624059

>  <BAR_CODE_NO> (1,764)
90458233

$$$$
WAY-641958
csChFnd80/06171916322D

 33 37  0  0  0  0  0  0  0  0999 V2000
    1.3000   -0.3667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7125   -1.0792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8875    0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4125    0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8958    1.0208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5875    0.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8958   -0.3167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6833    0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1750    1.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6833   -0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0625    0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5375   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3500    1.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5875   -0.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167    0.0458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3000    1.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5875    1.7833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9500   -1.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0625    1.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8875    1.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3000   -1.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1250    1.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3958    1.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3958   -0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9500   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7125   -2.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5375   -2.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7750   -1.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5375    1.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1125   -0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1125    0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7750   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  6  1  0  0  0  0
  5  4  2  0  0  0  0
  6  9  1  0  0  0  0
  7  4  1  0  0  0  0
  8  5  1  0  0  0  0
  9 13  1  0  0  0  0
 10  7  1  0  0  0  0
 11  3  1  0  0  0  0
 12  2  1  0  0  0  0
 13 11  2  0  0  0  0
 14  1  2  0  0  0  0
 15  1  2  0  0  0  0
 16  3  2  0  0  0  0
 17  9  2  0  0  0  0
 18 12  2  0  0  0  0
 19 20  2  0  0  0  0
 20 16  1  0  0  0  0
 21  2  1  0  0  0  0
 22 16  1  0  0  0  0
 23  8  1  0  0  0  0
 24 10  1  0  0  0  0
 25 12  1  0  0  0  0
 26 21  1  0  0  0  0
 27 26  1  0  0  0  0
 28 18  1  0  0  0  0
 29 22  1  0  0  0  0
 30 24  1  0  0  0  0
 31 23  1  0  0  0  0
 32 25  2  0  0  0  0
 33 32  1  0  0  0  0
 13 19  1  0  0  0  0
 27 18  1  0  0  0  0
 33 28  2  0  0  0  0
 10  8  2  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (1,765)
1765

>  <Formula> (1,765)
C24H25N3O4S2

>  <MolWeight> (1,765)
483.603

>  <COMPOUND_NAME> (1,765)
WAY-641958

>  <BAR_CODE_NO> (1,765)
90476511

$$$$
WAY-333200
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
    3.3613    2.3466    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7261    2.6063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3217    5.4701    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.3535    3.9403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6931    5.2346    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4566    3.1941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4698    4.6315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5120    6.3550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0805    7.6758    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5978    1.4726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9120    6.3550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2164    8.4815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3412    7.6626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9519    1.0126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2283    2.4809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2283    5.3403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9226    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.6315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  7  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  2  0  0  0  0
  8  5  1  0  0  0  0
  9  8  1  0  0  0  0
 10  2  2  0  0  0  0
 11  8  2  0  0  0  0
 12  9  1  0  0  0  0
 13 11  1  0  0  0  0
 14  1  1  0  0  0  0
 15  6  1  0  0  0  0
 16  7  1  0  0  0  0
 17 14  1  0  0  0  0
 18 15  2  0  0  0  0
 19 18  1  0  0  0  0
  3  5  1  0  0  0  0
 16 19  2  0  0  0  0
 13 12  2  0  0  0  0
M  END
>  <Mol_ID> (1,766)
1766

>  <Formula> (1,766)
C15H15NO2S

>  <MolWeight> (1,766)
273.3501

>  <COMPOUND_NAME> (1,766)
WAY-333200

>  <BAR_CODE_NO> (1,766)
308201

$$$$
WAY-643415
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    0.0417    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7375    0.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208   -0.3417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8917    0.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6042    0.7833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0625   -0.4375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7375   -1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8792   -0.5250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2167    0.2333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7167    0.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292    0.7083    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0458   -0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4667    0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292    1.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4583    0.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4583   -1.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958    1.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6917    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958   -1.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2833   -1.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2833    0.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6958   -0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5208   -0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4 12  1  0  0  0  0
  5  4  1  0  0  0  0
  6  4  2  0  0  0  0
  7  9  2  0  0  0  0
  8  6  1  0  0  0  0
  9  1  1  0  0  0  0
 10  5  1  0  0  0  0
 11  1  1  0  0  0  0
 12 14  1  0  0  0  0
 13  3  1  0  0  0  0
 14 11  1  0  0  0  0
 15 11  2  0  0  0  0
 16 13  1  0  0  0  0
 17 13  2  0  0  0  0
 18  2  1  0  0  0  0
 19  5  1  0  0  0  0
 20  7  1  0  0  0  0
 21 17  1  0  0  0  0
 22 16  2  0  0  0  0
 23 21  2  0  0  0  0
 24 23  1  0  0  0  0
  3  7  1  0  0  0  0
 10  8  2  0  0  0  0
 23 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,767)
1767

>  <Formula> (1,767)
C17H19N5OS

>  <MolWeight> (1,767)
341.43066

>  <COMPOUND_NAME> (1,767)
WAY-643415

>  <BAR_CODE_NO> (1,767)
90477987

$$$$
WAY-643782
csChFnd80/06171916322D

 23 26  0  0  0  0  0  0  0  0999 V2000
    1.2042   -1.0375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917   -0.6250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917    0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9250   -0.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042    0.6125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0833    0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0833    1.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8625    0.3583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208    0.6125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9250    0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8625    1.6958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3458    1.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3625    0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6375   -1.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3625    1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500    0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9333    0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500    1.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3500   -0.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6375   -1.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3500   -2.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0667   -1.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0667   -1.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  2  0  0  0  0
  5 10  1  0  0  0  0
  6 13  1  0  0  0  0
  7 15  1  0  0  0  0
  8  6  1  0  0  0  0
  9  3  1  0  0  0  0
 10  4  1  0  0  0  0
 11  7  1  0  0  0  0
 12  8  1  0  0  0  0
 13 16  2  0  0  0  0
 14  4  1  0  0  0  0
 15 18  2  0  0  0  0
 16 17  1  0  0  0  0
 17  9  1  0  0  0  0
 18 16  1  0  0  0  0
 19 14  2  0  0  0  0
 20 14  1  0  0  0  0
 21 20  2  0  0  0  0
 22 19  1  0  0  0  0
 23 21  1  0  0  0  0
  5  3  1  0  0  0  0
 23 22  2  0  0  0  0
  7  6  2  0  0  0  0
 12 11  1  0  0  0  0
M  END
>  <Mol_ID> (1,768)
1768

>  <Formula> (1,768)
C17H15N3O2S

>  <MolWeight> (1,768)
325.3849

>  <COMPOUND_NAME> (1,768)
WAY-643782

>  <BAR_CODE_NO> (1,768)
90478354

$$$$
WAY-333318
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -3.7708    4.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6708   14.7667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3208    2.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5500    1.8625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8750    5.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3000    4.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7833    2.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458    5.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0375   13.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8583   13.8125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6208   15.9667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7625   16.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4875    6.8542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208    3.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458    6.5167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9458   12.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5125   13.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8583    2.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167   11.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3208   10.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833   10.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0625    7.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3125    5.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2750    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1625    9.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8250    5.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2792    3.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  9  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  2  0  0  0  0
  8  5  1  0  0  0  0
  9 16  1  0  0  0  0
 10  2  2  0  0  0  0
 11  2  2  0  0  0  0
 12  2  1  0  0  0  0
 13  5  2  0  0  0  0
 14  8  2  0  0  0  0
 15  8  1  0  0  0  0
 16 20  2  0  0  0  0
 17 19  1  0  0  0  0
 18  3  1  0  0  0  0
 19 21  2  0  0  0  0
 20 21  1  0  0  0  0
 21 25  1  0  0  0  0
 22 15  1  0  0  0  0
 23  6  1  0  0  0  0
 24  7  1  0  0  0  0
 25 22  1  0  0  0  0
 26 23  2  0  0  0  0
 27 26  1  0  0  0  0
  4  7  1  0  0  0  0
 24 27  2  0  0  0  0
  9 17  2  0  0  0  0
M  END
>  <Mol_ID> (1,769)
1769

>  <Formula> (1,769)
C19H19N3O4S

>  <MolWeight> (1,769)
385.43686

>  <COMPOUND_NAME> (1,769)
WAY-333318

>  <BAR_CODE_NO> (1,769)
308319

$$$$
WAY-624671
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.6875    1.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6917   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083    1.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6875    2.4333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4750    1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4292   -0.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333    0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4750    2.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4917   -1.7667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1375   -2.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292   -0.6417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9875   -0.2042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667    0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3917   -3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9875   -0.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1875    0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7500   -2.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917   -3.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1875    2.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9083    1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9083    2.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  6  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6 11  1  0  0  0  0
  7  1  1  0  0  0  0
  8  5  2  0  0  0  0
  9  2  1  0  0  0  0
 10  2  2  0  0  0  0
 11 13  1  0  0  0  0
 12  6  2  0  0  0  0
 13  7  1  0  0  0  0
 14 10  1  0  0  0  0
 15  7  2  0  0  0  0
 16  5  1  0  0  0  0
 17  9  1  0  0  0  0
 18 14  1  0  0  0  0
 19  8  1  0  0  0  0
 20 16  2  0  0  0  0
 21 20  1  0  0  0  0
  8  4  1  0  0  0  0
 21 19  2  0  0  0  0
 18 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,770)
1770

>  <Formula> (1,770)
C15H13NO5

>  <MolWeight> (1,770)
287.26742

>  <COMPOUND_NAME> (1,770)
WAY-624671

>  <BAR_CODE_NO> (1,770)
90458847

$$$$
WAY-616537
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -1.6250   -0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083   -1.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6250   -2.2333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083   -0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3375   -1.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3375   -0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5208    1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083    0.6542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6250    0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958    1.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958   -0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958   -2.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0542   -2.2333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5208    0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2333    1.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083    1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958    0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5208   -0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5208   -1.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9500    1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2333    2.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2333   -2.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9500   -1.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9500    3.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6625    1.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6625    2.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  1  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  7 14  1  0  0  0  0
  8  9  1  0  0  0  0
  9  1  1  0  0  0  0
 10 16  1  0  0  0  0
 11  4  1  0  0  0  0
 12  2  1  0  0  0  0
 13  5  2  0  0  0  0
 14 17  1  0  0  0  0
 15  7  1  0  0  0  0
 16  8  1  0  0  0  0
 17  8  1  0  0  0  0
 18 11  2  0  0  0  0
 19 18  1  0  0  0  0
 20 15  1  0  0  0  0
 21 15  2  0  0  0  0
 22 19  1  0  0  0  0
 23 22  1  0  0  0  0
 24 21  1  0  0  0  0
 25 20  2  0  0  0  0
 26 24  2  0  0  0  0
  3  2  1  0  0  0  0
 10  7  2  0  0  0  0
 12 19  2  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (1,771)
1771

>  <Formula> (1,771)
C23H23NO2

>  <MolWeight> (1,771)
345.43422

>  <COMPOUND_NAME> (1,771)
WAY-616537

>  <BAR_CODE_NO> (1,771)
90450529

$$$$
WAY-333175
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
    9.2792  -11.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5167  -11.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4667  -11.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9167  -13.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4792   -9.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2417   -8.9917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.0667  -10.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2917  -12.5792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4750   -9.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7750  -13.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3667  -11.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3667   -9.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0042  -13.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4292  -15.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2542  -11.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2542   -9.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8625  -14.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3042  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5167  -15.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  2  0  0  0  0
  6  5  1  0  0  0  0
  7  2  1  0  0  0  0
  8  2  2  0  0  0  0
  9  7  1  0  0  0  0
 10  4  1  0  0  0  0
 11  3  1  0  0  0  0
 12  5  1  0  0  0  0
 13 10  1  0  0  0  0
 14 10  2  0  0  0  0
 15 11  2  0  0  0  0
 16 15  1  0  0  0  0
 17 13  2  0  0  0  0
 18 14  1  0  0  0  0
 19 18  2  0  0  0  0
  9  6  1  0  0  0  0
 16 12  2  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,772)
1772

>  <Formula> (1,772)
C16H15NOS

>  <MolWeight> (1,772)
269.3614

>  <COMPOUND_NAME> (1,772)
WAY-333175

>  <BAR_CODE_NO> (1,772)
308176

$$$$
WAY-333184
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
    3.3696    4.6853    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7454    4.9440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4650    5.5337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3274    7.8142    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.3692    6.2798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4770    6.9718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9644    3.3475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7093    7.5775    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.6099    3.8088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9271    2.3346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2315    4.8177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2315    7.6858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5257    8.6987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2850    2.6656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5420    1.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.9718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2537    1.6627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5168    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626    0.3249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  6  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  2  0  0  0  0
  7  1  1  0  0  0  0
  8  5  1  0  0  0  0
  9  2  2  0  0  0  0
 10  7  1  0  0  0  0
 11  3  1  0  0  0  0
 12  6  1  0  0  0  0
 13  8  1  0  0  0  0
 14 10  1  0  0  0  0
 15 10  2  0  0  0  0
 16 11  2  0  0  0  0
 17 16  1  0  0  0  0
 18 14  2  0  0  0  0
 19 15  1  0  0  0  0
 20 19  2  0  0  0  0
  4  8  1  0  0  0  0
 12 17  2  0  0  0  0
 20 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,773)
1773

>  <Formula> (1,773)
C17H17NOS

>  <MolWeight> (1,773)
283.38798

>  <COMPOUND_NAME> (1,773)
WAY-333184

>  <BAR_CODE_NO> (1,773)
308185

$$$$
WAY-333885
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -2.5000    3.1250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2083    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8250    2.7750    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.9000    1.6125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1500    1.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3458    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7083    2.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2250    3.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2458    3.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1708    3.5083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5500    2.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417    3.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333    4.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8333    0.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3083    3.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7083    4.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7583    3.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7167    3.0458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667    4.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0333    1.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167    3.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917    5.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4583    3.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    2.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1875    0.9333    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  2  2  0  0  0  0
  7  3  1  0  0  0  0
  8  3  1  0  0  0  0
  9  1  2  0  0  0  0
 10  1  2  0  0  0  0
 11  8  2  0  0  0  0
 12 11  1  0  0  0  0
 13 16  1  0  0  0  0
 14  5  2  0  0  0  0
 15  8  1  0  0  0  0
 16 15  2  0  0  0  0
 17  2  1  0  0  0  0
 18 12  1  0  0  0  0
 19 13  1  0  0  0  0
 20  6  1  0  0  0  0
 21 18  1  0  0  0  0
 22 19  1  0  0  0  0
 23 17  2  0  0  0  0
 24 23  1  0  0  0  0
 25  4  1  0  0  0  0
  4  5  1  0  0  0  0
 24 20  2  0  0  0  0
 12 13  2  0  0  0  0
M  END
>  <Mol_ID> (1,774)
1774

>  <Formula> (1,774)
C17H17NO5S

>  <MolWeight> (1,774)
347.38558

>  <COMPOUND_NAME> (1,774)
WAY-333885

>  <BAR_CODE_NO> (1,774)
308886

$$$$
WAY-641698
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    0.0917   -0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3417    0.4958    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.7208   -0.4625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083    1.1083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6417   -0.9042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708   -1.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833   -1.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0333   -2.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0500    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8458   -2.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6750   -2.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208   -1.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4042    1.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7042    0.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4833   -2.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0958   -3.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292    2.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4375    2.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042    0.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2125    1.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0500    3.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292    2.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7667    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  2  0  0  0  0
  6  3  1  0  0  0  0
  7  6  1  0  0  0  0
  8  2  1  0  0  0  0
  9  7  2  0  0  0  0
 10  4  1  0  0  0  0
 11  9  1  0  0  0  0
 12 13  1  0  0  0  0
 13  6  2  0  0  0  0
 14  8  2  0  0  0  0
 15  8  1  0  0  0  0
 16 12  2  0  0  0  0
 17 11  1  0  0  0  0
 18 10  1  0  0  0  0
 19 10  1  0  0  0  0
 20 15  2  0  0  0  0
 21 14  1  0  0  0  0
 22 19  1  0  0  0  0
 23 18  1  0  0  0  0
 24 20  1  0  0  0  0
 16  9  1  0  0  0  0
 24 21  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,775)
1775

>  <Formula> (1,775)
C20H24N2O2

>  <MolWeight> (1,775)
324.41676

>  <COMPOUND_NAME> (1,775)
WAY-641698

>  <BAR_CODE_NO> (1,775)
90476250

$$$$
WAY-333194
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -6.3125    3.3958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3125    3.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3750    7.9500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4000    5.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6375    4.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3708    7.6042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -7.6167    6.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1708    9.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9042    1.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1583    9.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0625   10.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0458    2.1125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458   12.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9875   11.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5083   -0.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7708   12.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5208    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1125   -1.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0875   10.4167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1500   -0.5417    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.4500   14.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4292    3.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4292    7.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6583   -3.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0625   -1.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6833   -2.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2792   12.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708   16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2250    4.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2250    6.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  7  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  5  2  0  0  0  0
  8  6  1  0  0  0  0
  9  1  1  0  0  0  0
 10  8  2  0  0  0  0
 11 10  1  0  0  0  0
 12  2  2  0  0  0  0
 13 16  1  0  0  0  0
 14  8  1  0  0  0  0
 15  9  1  0  0  0  0
 16 14  2  0  0  0  0
 17 15  1  0  0  0  0
 18 17  2  0  0  0  0
 19 11  1  0  0  0  0
 20 18  1  0  0  0  0
 21 13  1  0  0  0  0
 22  5  1  0  0  0  0
 23  7  1  0  0  0  0
 24 25  1  0  0  0  0
 25 15  2  0  0  0  0
 26 24  2  0  0  0  0
 27 19  1  0  0  0  0
 28 21  1  0  0  0  0
 29 22  2  0  0  0  0
 30 29  1  0  0  0  0
  3  6  1  0  0  0  0
 30 23  2  0  0  0  0
 26 18  1  0  0  0  0
 11 13  2  0  0  0  0
M  END
>  <Mol_ID> (1,776)
1776

>  <Formula> (1,776)
C24H22FNO3S

>  <MolWeight> (1,776)
423.4997832

>  <COMPOUND_NAME> (1,776)
WAY-333194

>  <BAR_CODE_NO> (1,776)
308195

$$$$
WAY-331176
csChFnd80/06171916322D

 29 31  0  0  0  0  0  0  0  0999 V2000
    9.8500   -2.2000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.6625   -2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7250   -2.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8125   -2.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2375   -1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3750   -2.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7625   -1.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4625   -4.6875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4250   -4.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2875   -1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2500   -3.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8500   -3.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8500   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9750   -5.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8875   -2.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8875   -0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2875   -3.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9000   -3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1750   -3.5750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9000   -5.5125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0500   -5.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4125   -3.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2875   -2.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4625   -6.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5750   -4.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5750   -6.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -2.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9750   -7.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0500   -7.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3 11  2  0  0  0  0
  4  1  1  0  0  0  0
  5 10  2  0  0  0  0
  6  2  1  0  0  0  0
  7 16  1  0  0  0  0
  8  9  1  0  0  0  0
  9 18  1  0  0  0  0
 10  4  1  0  0  0  0
 11 17  1  0  0  0  0
 12  1  2  0  0  0  0
 13  1  2  0  0  0  0
 14  8  1  0  0  0  0
 15  1  1  0  0  0  0
 16  5  1  0  0  0  0
 17  4  2  0  0  0  0
 18 22  1  0  0  0  0
 19  6  2  0  0  0  0
 20  9  2  0  0  0  0
 21 14  2  0  0  0  0
 22 15  1  0  0  0  0
 23  6  1  0  0  0  0
 24 14  1  0  0  0  0
 25 21  1  0  0  0  0
 26 21  1  0  0  0  0
 27 23  1  0  0  0  0
 28 24  2  0  0  0  0
 29 28  1  0  0  0  0
  5  3  1  0  0  0  0
  2  7  1  0  0  0  0
 29 26  2  0  0  0  0
M  END
>  <Mol_ID> (1,777)
1777

>  <Formula> (1,777)
C21H25N3O4S

>  <MolWeight> (1,777)
415.5059

>  <COMPOUND_NAME> (1,777)
WAY-331176

>  <BAR_CODE_NO> (1,777)
306177

$$$$
WAY-330119
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
    9.7250   -6.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9000   -5.3250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.2750   -7.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5750   -6.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3750   -7.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1250   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5750   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1875   -6.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6000   -7.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6000   -8.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3500   -5.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3500   -7.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3500   -6.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4500   -4.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6750   -4.8750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7250   -8.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7250   -5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1250   -6.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2250   -2.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6750   -3.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4375   -2.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2250   -1.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6625   -1.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4500   -3.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4375   -0.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6625   -2.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -0.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  6  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6 18  1  0  0  0  0
  7  4  2  0  0  0  0
  8  1  1  0  0  0  0
  9  5  1  0  0  0  0
 10  5  1  0  0  0  0
 11  7  1  0  0  0  0
 12  4  1  0  0  0  0
 13  2  2  0  0  0  0
 14  2  2  0  0  0  0
 15  2  1  0  0  0  0
 16  3  2  0  0  0  0
 17  8  1  0  0  0  0
 18 12  2  0  0  0  0
 19 21  2  0  0  0  0
 20 15  1  0  0  0  0
 21 24  1  0  0  0  0
 22 19  1  0  0  0  0
 23 26  2  0  0  0  0
 24 20  1  0  0  0  0
 25 23  1  0  0  0  0
 26 21  1  0  0  0  0
 27 22  1  0  0  0  0
  7 17  1  0  0  0  0
 11  6  2  0  0  0  0
 10  9  1  0  0  0  0
 25 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,778)
1778

>  <Formula> (1,778)
C21H24N2O3S

>  <MolWeight> (1,778)
384.49186

>  <COMPOUND_NAME> (1,778)
WAY-330119

>  <BAR_CODE_NO> (1,778)
305120

$$$$
WAY-330163
csChFnd80/06171916322D

 29 31  0  0  0  0  0  0  0  0999 V2000
    8.1250   -5.8125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7875   -4.4458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.8375   -5.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8375   -4.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6875   -5.2000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.7500   -6.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1375   -4.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1250   -4.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4875   -4.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7375   -4.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4875   -5.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4375   -4.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0875   -4.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4125   -3.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1625   -5.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3875   -4.4458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1375   -5.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1250   -7.1125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7375   -3.3250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3875   -5.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3375   -6.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0375   -5.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.7125    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.6875   -6.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3375   -5.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0375   -6.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6875   -5.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9375   -5.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000   -6.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7 17  1  0  0  0  0
  8  5  1  0  0  0  0
  9  4  1  0  0  0  0
 10 13  1  0  0  0  0
 11  3  1  0  0  0  0
 12  2  1  0  0  0  0
 13 12  1  0  0  0  0
 14  2  2  0  0  0  0
 15  2  2  0  0  0  0
 16 10  1  0  0  0  0
 17 11  2  0  0  0  0
 18  6  2  0  0  0  0
 19 10  2  0  0  0  0
 20 16  1  0  0  0  0
 21 25  2  0  0  0  0
 22 20  1  0  0  0  0
 23 21  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  1  0  0  0  0
 26 22  1  0  0  0  0
 27 22  2  0  0  0  0
 28  5  1  0  0  0  0
 29  6  1  0  0  0  0
  4  8  1  0  0  0  0
  9  7  2  0  0  0  0
 24 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,779)
1779

>  <Formula> (1,779)
C21H23FN2O4S

>  <MolWeight> (1,779)
418.4817232

>  <COMPOUND_NAME> (1,779)
WAY-330163

>  <BAR_CODE_NO> (1,779)
305164

$$$$
WAY-330807
csChFnd80/06171916322D

 30 32  0  0  0  0  0  0  0  0999 V2000
   11.9750   -2.4875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.2750    1.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.7000    0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5625   -1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2750   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6625   -4.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7000   -1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5500    0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4000   -3.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2500   -3.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9750   -3.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9875   -1.9125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5250   -4.4625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9750   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2625    3.4625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2250   -5.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9500   -5.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4250    1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8000   -7.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8000   -5.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5125   -6.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9375   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2375   -6.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4125   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2375   -8.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5500    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000    0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0875   -8.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5250   -9.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  9  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  8  1  0  0  0  0
  7 11  1  0  0  0  0
  8  5  2  0  0  0  0
  9 15  2  0  0  0  0
 10  1  1  0  0  0  0
 11 10  1  0  0  0  0
 12  1  2  0  0  0  0
 13  1  2  0  0  0  0
 14  7  1  0  0  0  0
 15  5  1  0  0  0  0
 16  4  2  0  0  0  0
 17  7  2  0  0  0  0
 18 14  1  0  0  0  0
 19  2  1  0  0  0  0
 20 23  2  0  0  0  0
 21 18  1  0  0  0  0
 22 18  2  0  0  0  0
 23 22  1  0  0  0  0
 24 21  2  0  0  0  0
 25  6  1  0  0  0  0
 26 20  1  0  0  0  0
 27  4  1  0  0  0  0
 28 25  1  0  0  0  0
 29 26  1  0  0  0  0
 30 29  1  0  0  0  0
  6  3  2  0  0  0  0
 28 19  1  0  0  0  0
 20 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,780)
1780

>  <Formula> (1,780)
C22H26N2O5S

>  <MolWeight> (1,780)
430.51724

>  <COMPOUND_NAME> (1,780)
WAY-330807

>  <BAR_CODE_NO> (1,780)
305808

$$$$
WAY-332444
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
    7.4375   -5.1125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.6375   -4.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6125   -5.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3875   -5.1125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5000   -5.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4250   -5.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0750   -4.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7500   -3.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0250   -4.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2875   -6.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6625   -3.9750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0750   -6.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2125   -5.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0250   -6.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7667   -3.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2000   -6.6125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4250   -5.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4250   -4.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2125   -5.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8500   -4.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8500   -6.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7875   -6.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7875   -4.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2500   -5.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3 12  2  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  9  2  0  0  0  0
  8 15  1  0  0  0  0
  9  5  1  0  0  0  0
 10  1  2  0  0  0  0
 11  1  2  0  0  0  0
 12 14  1  0  0  0  0
 13 19  1  0  0  0  0
 14  5  2  0  0  0  0
 15  7  1  0  0  0  0
 16  6  2  0  0  0  0
 17  6  1  0  0  0  0
 18 13  2  0  0  0  0
 19 17  1  0  0  0  0
 20 13  1  0  0  0  0
 21  4  1  0  0  0  0
 22  4  1  0  0  0  0
 23 22  1  0  0  0  0
 24 21  1  0  0  0  0
 25 23  1  0  0  0  0
  7  3  1  0  0  0  0
 25 24  1  0  0  0  0
  2  8  1  0  0  0  0
M  END
>  <Mol_ID> (1,781)
1781

>  <Formula> (1,781)
C17H22N2O5S

>  <MolWeight> (1,781)
366.43198

>  <COMPOUND_NAME> (1,781)
WAY-332444

>  <BAR_CODE_NO> (1,781)
307445

$$$$
WAY-624832
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
    0.6792    0.1958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8708   -0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3000   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9625   -1.1042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6583   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1458   -0.9250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1417   -1.0167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8708   -1.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6583   -1.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2083   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833    0.1208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1042   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4500   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2958    0.7958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6917    2.1583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542    0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6542   -0.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5250    1.3583    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -4.9708   -0.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9125    0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7167    0.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1667    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4625   -0.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9125   -2.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5250    0.3333    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.5167    2.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2375    0.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8542    1.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 11  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  1  1  0  0  0  0
  6  2  2  0  0  0  0
  7  6  1  0  0  0  0
  8  5  2  0  0  0  0
  9  2  1  0  0  0  0
 10  9  2  0  0  0  0
 11 15  1  0  0  0  0
 12  5  1  0  0  0  0
 13  1  1  0  0  0  0
 14  3  1  0  0  0  0
 15 12  1  0  0  0  0
 16 11  2  0  0  0  0
 17 20  1  0  0  0  0
 18 14  2  0  0  0  0
 19 14  1  0  0  0  0
 20 13  1  0  0  0  0
 21  7  1  0  0  0  0
 22  6  1  0  0  0  0
 23 25  1  0  0  0  0
 24 18  1  0  0  0  0
 25 19  2  0  0  0  0
 26 10  1  0  0  0  0
 27 23  1  0  0  0  0
 28 17  1  0  0  0  0
 29 20  1  0  0  0  0
 30 29  1  0  0  0  0
  4  8  1  0  0  0  0
 28 30  1  0  0  0  0
 23 24  2  0  0  0  0
  7 10  1  0  0  0  0
M  END
>  <Mol_ID> (1,782)
1782

>  <Formula> (1,782)
C22H25ClN4O2S

>  <MolWeight> (1,782)
444.9775

>  <COMPOUND_NAME> (1,782)
WAY-624832

>  <BAR_CODE_NO> (1,782)
90459010

$$$$
WAY-333282
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -2.1327   -0.4112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0293   -0.0526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1327   -1.5733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1396    0.1646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6707    1.0474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3465   -0.9905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0293   -1.9319    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1396   -2.1526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1465   -0.4112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4604    1.2888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4465    1.9095    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1465   -1.5733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0673    0.2991    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9190    2.3543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2259    0.3819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6086   -0.7629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8776   -0.5767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7328    1.4267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0328   -0.4940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8914    1.5095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5431    0.5474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  8 12  2  0  0  0  0
 10 13  1  0  0  0  0
 10 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
  6  7  1  0  0  0  0
  9 12  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,783)
1783

>  <Formula> (1,783)
C17H20N2O2

>  <MolWeight> (1,783)
284.3529

>  <COMPOUND_NAME> (1,783)
WAY-333282

>  <BAR_CODE_NO> (1,783)
308283

$$$$
WAY-641978
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -0.4583    1.8958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000    1.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8625    0.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2458    2.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042    0.9333    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.5625   -1.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042   -0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292    2.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667   -1.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0125   -1.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667   -2.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0750   -2.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6250   -2.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583    0.4958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6667   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2458    2.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583    3.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9167   -0.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292   -3.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2875   -3.2542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9583    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542    1.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9583    3.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958   -3.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292   -3.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6708    2.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6708    2.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  5  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  7  1  0  0  0  0
  7  3  1  0  0  0  0
  8  1  1  0  0  0  0
  9 18  1  0  0  0  0
 10  6  2  0  0  0  0
 11 10  1  0  0  0  0
 12 13  1  0  0  0  0
 13  9  2  0  0  0  0
 14  2  2  0  0  0  0
 15  3  1  0  0  0  0
 16  4  2  0  0  0  0
 17  8  1  0  0  0  0
 18 15  1  0  0  0  0
 19 12  1  0  0  0  0
 20 11  1  0  0  0  0
 21  4  1  0  0  0  0
 22  5  1  0  0  0  0
 23 16  1  0  0  0  0
 24 20  1  0  0  0  0
 25 19  1  0  0  0  0
 26 21  2  0  0  0  0
 27 26  1  0  0  0  0
 16 17  1  0  0  0  0
 27 23  2  0  0  0  0
  9  6  1  0  0  0  0
 12 11  2  0  0  0  0
M  END
>  <Mol_ID> (1,784)
1784

>  <Formula> (1,784)
C22H26N2O3

>  <MolWeight> (1,784)
366.45344

>  <COMPOUND_NAME> (1,784)
WAY-641978

>  <BAR_CODE_NO> (1,784)
90476531

$$$$
WAY-332183
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -6.9625   12.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9625   10.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6750   12.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6875    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3917   12.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4042   10.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8125    3.8750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2500    5.3583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1125    3.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9625    6.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4000    3.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6875    8.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2500   12.8125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5500    3.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8208    5.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2500    3.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5500    6.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9625    7.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6875    5.3583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -14.7000    3.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6625   14.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1000    9.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1000   12.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1000    1.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4000    5.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3750    0.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.6875    1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0000    3.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8250   10.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8250   12.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7 15  1  0  0  0  0
  8 10  1  0  0  0  0
  9  7  1  0  0  0  0
 10 18  1  0  0  0  0
 11  9  2  0  0  0  0
 12  4  1  0  0  0  0
 13  1  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16  8  1  0  0  0  0
 17  8  1  0  0  0  0
 18 12  1  0  0  0  0
 19 10  2  0  0  0  0
 20 11  1  0  0  0  0
 21  3  1  0  0  0  0
 22  6  2  0  0  0  0
 23  5  2  0  0  0  0
 24  9  1  0  0  0  0
 25 11  1  0  0  0  0
 26 24  2  0  0  0  0
 27 26  1  0  0  0  0
 28 20  1  0  0  0  0
 29 30  2  0  0  0  0
 30 23  1  0  0  0  0
  6  4  1  0  0  0  0
 22 29  1  0  0  0  0
 14  7  1  0  0  0  0
 27 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,785)
1785

>  <Formula> (1,785)
C24H27N3O3

>  <MolWeight> (1,785)
405.48948

>  <COMPOUND_NAME> (1,785)
WAY-332183

>  <BAR_CODE_NO> (1,785)
307184

$$$$
WAY-616700
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -1.9583    2.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9583    2.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333    0.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2458    1.7292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333   -0.3333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2458    0.9042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.6750    3.3792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2458    3.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6750    1.7292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1833    0.9042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2458    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3250   -1.9833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1833   -0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6125   -1.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3250   -2.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1833   -1.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8958   -0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6125   -0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8958   -1.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6750    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9583    4.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9583    0.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6125   -3.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0417   -3.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0417   -4.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6125   -4.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3250   -4.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  6  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  7  1  1  0  0  0  0
  8  1  2  0  0  0  0
  9  2  2  0  0  0  0
 10  3  2  0  0  0  0
 11  8  1  0  0  0  0
 12 14  1  0  0  0  0
 13  5  1  0  0  0  0
 14 18  2  0  0  0  0
 15 12  1  0  0  0  0
 16 13  1  0  0  0  0
 17 13  2  0  0  0  0
 18 17  1  0  0  0  0
 19 16  2  0  0  0  0
 20  7  1  0  0  0  0
 21 11  1  0  0  0  0
 22  6  1  0  0  0  0
 23 15  1  0  0  0  0
 24 15  2  0  0  0  0
 25 24  1  0  0  0  0
 26 23  2  0  0  0  0
 27 25  2  0  0  0  0
 20 21  1  0  0  0  0
 19 14  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (1,786)
1786

>  <Formula> (1,786)
C20H19NO6

>  <MolWeight> (1,786)
369.36796

>  <COMPOUND_NAME> (1,786)
WAY-616700

>  <BAR_CODE_NO> (1,786)
90450694

$$$$
WAY-624507
csChFnd80/06171916322D

 32 36  0  0  0  0  0  0  0  0999 V2000
    1.2667   -0.9667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0125   -1.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6000   -0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1875   -1.7542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708   -0.9667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9708    1.5833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -2.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2583    1.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6875    1.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6000    0.3458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1625   -3.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9708    3.2333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458    1.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8333    1.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2583    2.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5750   -3.8917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0542   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1125    1.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1125    0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0250   -4.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542   -3.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4083    1.5833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8333    2.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667   -4.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6875    2.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458    3.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6000    1.9958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2250    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6667   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4500   -1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0042    0.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6167   -0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  2  0  0  0  0
  6  8  1  0  0  0  0
  7  2  1  0  0  0  0
  8 13  1  0  0  0  0
  9  6  1  0  0  0  0
 10  3  1  0  0  0  0
 11  7  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  2  0  0  0  0
 14 18  1  0  0  0  0
 15 26  1  0  0  0  0
 16 11  1  0  0  0  0
 17  1  1  0  0  0  0
 18 19  1  0  0  0  0
 19 10  1  0  0  0  0
 20 16  1  0  0  0  0
 21 11  2  0  0  0  0
 22  9  2  0  0  0  0
 23 14  1  0  0  0  0
 24 21  1  0  0  0  0
 25 12  1  0  0  0  0
 26 23  2  0  0  0  0
 27 18  2  0  0  0  0
 28 17  2  0  0  0  0
 29 17  1  0  0  0  0
 30 29  2  0  0  0  0
 31 28  1  0  0  0  0
 32 30  1  0  0  0  0
  4  5  1  0  0  0  0
 32 31  2  0  0  0  0
 20 24  2  0  0  0  0
 15  8  2  0  0  0  0
  9 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,787)
1787

>  <Formula> (1,787)
C23H18N4O3S2

>  <MolWeight> (1,787)
462.54402

>  <COMPOUND_NAME> (1,787)
WAY-624507

>  <BAR_CODE_NO> (1,787)
90458683

$$$$
WAY-333325
csChFnd80/06171916322D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -5.6250    6.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0083    7.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2958    8.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6625    9.7375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9583    4.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7792    2.7833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9042    6.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5875   11.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6292    4.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833    5.8167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2083   10.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458   13.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042    9.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7708    3.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4250    8.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8458   12.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8625    3.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9500   11.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0417   13.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458   15.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6792    7.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7958   14.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3750    5.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4375   16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  2  0  0  0  0
  6  5  1  0  0  0  0
  7  1  1  0  0  0  0
  8  4  1  0  0  0  0
  9  7  2  0  0  0  0
 10  2  2  0  0  0  0
 11  3  2  0  0  0  0
 12  8  2  0  0  0  0
 13  4  1  0  0  0  0
 14  5  1  0  0  0  0
 15  7  1  0  0  0  0
 16  8  1  0  0  0  0
 17  9  1  0  0  0  0
 18 13  1  0  0  0  0
 19 18  1  0  0  0  0
 20 12  1  0  0  0  0
 21 15  2  0  0  0  0
 22 16  2  0  0  0  0
 23 21  1  0  0  0  0
 24 22  1  0  0  0  0
  6  9  1  0  0  0  0
 23 17  2  0  0  0  0
 12 19  1  0  0  0  0
 20 24  2  0  0  0  0
M  END
>  <Mol_ID> (1,788)
1788

>  <Formula> (1,788)
C20H18N2O2

>  <MolWeight> (1,788)
318.36912

>  <COMPOUND_NAME> (1,788)
WAY-333325

>  <BAR_CODE_NO> (1,788)
308326

$$$$
WAY-624681
csChFnd80/06171916322D

 30 32  0  0  0  0  0  0  0  0999 V2000
    2.3542    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542   -0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6458    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2125    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9333    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208    0.4583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6417    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9250    0.0458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083    0.0458    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.3583    0.0458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0667    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6458    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2125    1.2833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9333   -0.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3583    1.6958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6417    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083   -0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5292   -0.7792    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542   -1.6042    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.1792   -0.7792    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.0667    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542    1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7792    1.6958    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.0833    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0833    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208   -1.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2125   -1.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2125   -2.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208   -2.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083   -2.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  5  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  6  9  1  0  0  0  0
  7  1  2  0  0  0  0
  8  7  1  0  0  0  0
  9  4  1  0  0  0  0
 10  3  1  0  0  0  0
 11  1  1  0  0  0  0
 12  3  2  0  0  0  0
 13  4  2  0  0  0  0
 14  5  2  0  0  0  0
 15 12  1  0  0  0  0
 16  7  1  0  0  0  0
 17  9  1  0  0  0  0
 18  2  1  0  0  0  0
 19  2  1  0  0  0  0
 20  2  1  0  0  0  0
 21 11  2  0  0  0  0
 22 21  1  0  0  0  0
 23 21  1  0  0  0  0
 24 10  1  0  0  0  0
 25 15  1  0  0  0  0
 26 17  1  0  0  0  0
 27 17  2  0  0  0  0
 28 27  1  0  0  0  0
 29 26  2  0  0  0  0
 30 28  2  0  0  0  0
 22 16  2  0  0  0  0
 30 29  1  0  0  0  0
 25 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,789)
1789

>  <Formula> (1,789)
C20H15ClF3NO5

>  <MolWeight> (1,789)
441.7850096

>  <COMPOUND_NAME> (1,789)
WAY-624681

>  <BAR_CODE_NO> (1,789)
90458857

$$$$
WAY-643760
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
    0.9042    3.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917    2.7583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333   -0.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7125   -1.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917    3.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333   -2.1750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5250    2.6208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542   -1.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542   -1.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1875    1.8708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792    4.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833    1.3458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833   -2.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7125    4.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7167    5.2917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5375    5.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667    0.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2875    0.1125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2875   -3.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667   -3.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5583    3.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5375   -1.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2250   -2.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958   -4.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833   -4.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458   -3.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2458   -5.3167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4250    4.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958   -5.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3 13  1  0  0  0  0
  4  3  2  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  1  2  0  0  0  0
  8  2  1  0  0  0  0
  9 10  2  0  0  0  0
 10  3  1  0  0  0  0
 11  7  1  0  0  0  0
 12  5  2  0  0  0  0
 13 19  1  0  0  0  0
 14  8  1  0  0  0  0
 15  6  1  0  0  0  0
 16  5  1  0  0  0  0
 17 12  1  0  0  0  0
 18 16  2  0  0  0  0
 19 14  1  0  0  0  0
 20 13  2  0  0  0  0
 21 15  2  0  0  0  0
 22 15  1  0  0  0  0
 23  2  1  0  0  0  0
 24  4  1  0  0  0  0
 25  9  1  0  0  0  0
 26 27  1  0  0  0  0
 27 22  2  0  0  0  0
 28 21  1  0  0  0  0
 29 26  1  0  0  0  0
 30 12  1  0  0  0  0
 31 29  1  0  0  0  0
 11  8  2  0  0  0  0
 17 18  1  0  0  0  0
  9  6  1  0  0  0  0
 26 28  2  0  0  0  0
M  END
>  <Mol_ID> (1,790)
1790

>  <Formula> (1,790)
C23H24N4O3S

>  <MolWeight> (1,790)
436.52666

>  <COMPOUND_NAME> (1,790)
WAY-643760

>  <BAR_CODE_NO> (1,790)
90478332

$$$$
WAY-624762
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -0.9125    0.3208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3917    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1583    0.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -0.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8292   -1.1167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0042   -1.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6250    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0792   -1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7500   -1.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4167   -2.3875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3458    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0583    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5167   -0.4500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0583    1.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8458    0.4833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8458    1.8208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6250    1.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3333    1.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7000   -0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5500    0.8833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3458    1.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8667   -2.1542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0125    1.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4375   -1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  7  1  0  0  0  0
  7 15  1  0  0  0  0
  8  1  1  0  0  0  0
  9  6  1  0  0  0  0
 10  7  2  0  0  0  0
 11 10  1  0  0  0  0
 12  8  2  0  0  0  0
 13  2  1  0  0  0  0
 14 12  1  0  0  0  0
 15 21  1  0  0  0  0
 16 23  1  0  0  0  0
 17 14  1  0  0  0  0
 18 16  1  0  0  0  0
 19  8  1  0  0  0  0
 20 17  1  0  0  0  0
 21 13  1  0  0  0  0
 22 13  2  0  0  0  0
 23 19  2  0  0  0  0
 24  9  1  0  0  0  0
 25  3  1  0  0  0  0
 26  4  1  0  0  0  0
  2  5  1  0  0  0  0
 16 14  2  0  0  0  0
 20 18  1  0  0  0  0
  9 11  2  0  0  0  0
M  END
>  <Mol_ID> (1,791)
1791

>  <Formula> (1,791)
C17H17N5O3S

>  <MolWeight> (1,791)
371.41358

>  <COMPOUND_NAME> (1,791)
WAY-624762

>  <BAR_CODE_NO> (1,791)
90458939

$$$$
WAY-624647
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
    2.7250    0.0708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1000   -1.0542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8333   -0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042   -0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6208   -0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1792   -1.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -1.2292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3375   -0.4792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8333   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6208   -1.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1708   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542   -0.0042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9250   -1.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8125    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5875   -0.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500    0.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1583   -0.2542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3375   -0.3375    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.8708    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8708   -2.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3333    0.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1417    1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5625    1.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0083    0.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6208    0.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6500    2.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2292    2.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9792    2.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3 11  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  2  0  0  0  0
  6  4  2  0  0  0  0
  7  8  2  0  0  0  0
  8  1  1  0  0  0  0
  9  3  1  0  0  0  0
 10  9  2  0  0  0  0
 11 15  1  0  0  0  0
 12  4  1  0  0  0  0
 13  2  1  0  0  0  0
 14  1  1  0  0  0  0
 15 12  1  0  0  0  0
 16 11  2  0  0  0  0
 17 18  1  0  0  0  0
 18 13  1  0  0  0  0
 19  5  1  0  0  0  0
 20 10  1  0  0  0  0
 21 17  1  0  0  0  0
 22 14  2  0  0  0  0
 23 14  1  0  0  0  0
 24 18  1  0  0  0  0
 25 24  1  0  0  0  0
 26 23  2  0  0  0  0
 27 22  1  0  0  0  0
 28 26  1  0  0  0  0
  7  6  1  0  0  0  0
 28 27  2  0  0  0  0
  2 10  1  0  0  0  0
 21 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,792)
1792

>  <Formula> (1,792)
C20H23N5O2S

>  <MolWeight> (1,792)
397.49392

>  <COMPOUND_NAME> (1,792)
WAY-624647

>  <BAR_CODE_NO> (1,792)
90458823

$$$$
WAY-331418
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -9.1583    3.8917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0750    5.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0750    7.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2875    5.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1583    8.7375    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -4.9875    3.8917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0750    0.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1583    1.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2875    7.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9750    8.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1500   11.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9875    1.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8500   10.0083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3833    3.8625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0625   12.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0750   -2.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0167   11.1500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0167   -3.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2750   12.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0625   14.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9125   -2.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0375   -5.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2875   14.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1750   16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9000   -7.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -3.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -5.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  9  1  0  0  0  0
  6  2  1  0  0  0  0
  7  8  1  0  0  0  0
  8  1  1  0  0  0  0
  9  4  1  0  0  0  0
 10  3  1  0  0  0  0
 11  5  1  0  0  0  0
 12  7  1  0  0  0  0
 13 10  3  0  0  0  0
 14  4  2  0  0  0  0
 15 11  2  0  0  0  0
 16  7  1  0  0  0  0
 17 15  1  0  0  0  0
 18 16  1  0  0  0  0
 19 11  1  0  0  0  0
 20 15  1  0  0  0  0
 21 18  2  0  0  0  0
 22 18  1  0  0  0  0
 23 19  2  0  0  0  0
 24 23  1  0  0  0  0
 25 22  2  0  0  0  0
 26 21  1  0  0  0  0
 27 25  1  0  0  0  0
 12  6  1  0  0  0  0
  5  3  1  0  0  0  0
 27 26  2  0  0  0  0
 20 24  2  0  0  0  0
M  END
>  <Mol_ID> (1,793)
1793

>  <Formula> (1,793)
C21H18FN3OS

>  <MolWeight> (1,793)
379.4505232

>  <COMPOUND_NAME> (1,793)
WAY-331418

>  <BAR_CODE_NO> (1,793)
306419

$$$$
WAY-331416
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -9.1583    3.8917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0750    5.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0750    7.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2875    5.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1583    8.7375    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -4.9875    3.8917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0750    0.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1583    1.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2875    7.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9750    8.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1500   11.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9875    1.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8500   10.0083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0292   -3.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3833    3.8625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7792   -5.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0750   -2.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0625   12.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8125   -2.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2625   -6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1875   -4.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0167   11.1500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2750   12.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0625   14.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2875   14.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1750   16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  9  1  0  0  0  0
  6  2  1  0  0  0  0
  7  8  1  0  0  0  0
  8  1  1  0  0  0  0
  9  4  1  0  0  0  0
 10  3  1  0  0  0  0
 11  5  1  0  0  0  0
 12  7  1  0  0  0  0
 13 10  3  0  0  0  0
 14 17  1  0  0  0  0
 15  4  2  0  0  0  0
 16 14  1  0  0  0  0
 17  7  1  0  0  0  0
 18 11  2  0  0  0  0
 19 14  2  0  0  0  0
 20 16  1  0  0  0  0
 21 19  1  0  0  0  0
 22 18  1  0  0  0  0
 23 11  1  0  0  0  0
 24 18  1  0  0  0  0
 25 23  2  0  0  0  0
 26 25  1  0  0  0  0
 12  6  1  0  0  0  0
  5  3  1  0  0  0  0
 21 20  2  0  0  0  0
 24 26  2  0  0  0  0
M  END
>  <Mol_ID> (1,794)
1794

>  <Formula> (1,794)
C19H16FN3O2S

>  <MolWeight> (1,794)
369.4126432

>  <COMPOUND_NAME> (1,794)
WAY-331416

>  <BAR_CODE_NO> (1,794)
306417

$$$$
WAY-331434
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -9.1750    3.8917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0875    5.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0875    7.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1750    8.7500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
  -11.2875    5.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9875    3.8917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0875    0.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1583   11.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1750    1.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2875    7.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9750    8.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9875    1.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8625   10.0250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0292   -3.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4000    3.8625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7875   -5.7875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0750   12.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2500   12.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0875   -2.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8125   -2.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2625   -6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1875   -4.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9750   11.1500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  -13.2875   11.1250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1333   16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0625   14.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2875   14.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4 10  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  9  1  0  0  0  0
  8  4  1  0  0  0  0
  9  1  1  0  0  0  0
 10  5  1  0  0  0  0
 11  3  1  0  0  0  0
 12  7  1  0  0  0  0
 13 11  3  0  0  0  0
 14 19  1  0  0  0  0
 15  5  2  0  0  0  0
 16 14  1  0  0  0  0
 17  8  2  0  0  0  0
 18  8  1  0  0  0  0
 19  7  1  0  0  0  0
 20 14  2  0  0  0  0
 21 16  1  0  0  0  0
 22 20  1  0  0  0  0
 23 17  1  0  0  0  0
 24 18  1  0  0  0  0
 25 27  1  0  0  0  0
 26 17  1  0  0  0  0
 27 18  2  0  0  0  0
 12  6  1  0  0  0  0
  4  3  1  0  0  0  0
 22 21  2  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <Mol_ID> (1,795)
1795

>  <Formula> (1,795)
C19H15ClFN3O2S

>  <MolWeight> (1,795)
403.8577032

>  <COMPOUND_NAME> (1,795)
WAY-331434

>  <BAR_CODE_NO> (1,795)
306435

$$$$
WAY-329200
csChFnd80/06171916322D

 32 35  0  0  0  0  0  0  0  0999 V2000
    8.7792   -9.5750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7792  -10.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6667  -11.4917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6667   -8.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5542   -9.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5542  -10.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6667  -12.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8917   -8.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5667  -16.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9042   -7.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0042   -7.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7792  -13.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6667  -15.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8917  -11.5125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6667   -7.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1500   -3.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1750   -3.0917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7792  -14.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0167   -5.7417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1042   -3.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7875   -1.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5125   -1.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1167   -7.6667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1375   -5.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4500   -8.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4500  -11.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8792  -12.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8792  -15.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3292   -9.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3292  -10.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0042  -13.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0042  -14.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  3  1  0  0  0  0
  8  1  1  0  0  0  0
  9 13  3  0  0  0  0
 10  8  1  0  0  0  0
 11 10  1  0  0  0  0
 12  7  1  0  0  0  0
 13 18  1  0  0  0  0
 14  2  2  0  0  0  0
 15  4  2  0  0  0  0
 16 24  1  0  0  0  0
 17 16  1  0  0  0  0
 18 12  2  0  0  0  0
 19 11  1  0  0  0  0
 20 16  2  0  0  0  0
 21 17  1  0  0  0  0
 22 20  1  0  0  0  0
 23 11  2  0  0  0  0
 24 19  1  0  0  0  0
 25  5  2  0  0  0  0
 26  6  2  0  0  0  0
 27 12  1  0  0  0  0
 28 18  1  0  0  0  0
 29 25  1  0  0  0  0
 30 29  2  0  0  0  0
 31 27  2  0  0  0  0
 32 31  1  0  0  0  0
  3  6  1  0  0  0  0
 26 30  1  0  0  0  0
 32 28  2  0  0  0  0
 22 21  2  0  0  0  0
M  END
>  <Mol_ID> (1,796)
1796

>  <Formula> (1,796)
C24H20N4O4

>  <MolWeight> (1,796)
428.44

>  <COMPOUND_NAME> (1,796)
WAY-329200

>  <BAR_CODE_NO> (1,796)
304201

$$$$
WAY-642762
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
    2.3542    0.5708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0667    0.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6375    0.1583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3625   -1.0792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9250    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042    0.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7667   -0.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9417    1.2833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6500   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7792    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083    0.5708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042   -0.6667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7958   -1.9042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6500    0.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9333   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208    0.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7792   -0.2542    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9333    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0667    1.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0833   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3625   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0833   -2.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7958   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4917    0.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7792    2.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4917    1.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  9  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  1  2  0  0  0  0
  8  1  2  0  0  0  0
  9 15  2  0  0  0  0
 10  2  2  0  0  0  0
 11  6  1  0  0  0  0
 12  6  2  0  0  0  0
 13 23  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 11  1  0  0  0  0
 17 10  1  0  0  0  0
 18 16  1  0  0  0  0
 19 16  2  0  0  0  0
 20  2  1  0  0  0  0
 21  4  1  0  0  0  0
 22  4  1  0  0  0  0
 23 22  1  0  0  0  0
 24 21  1  0  0  0  0
 25 10  1  0  0  0  0
 26 20  2  0  0  0  0
 27 26  1  0  0  0  0
 27 25  2  0  0  0  0
  9 14  1  0  0  0  0
 13 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,797)
1797

>  <Formula> (1,797)
C18H20FN3O4S

>  <MolWeight> (1,797)
393.4325032

>  <COMPOUND_NAME> (1,797)
WAY-642762

>  <BAR_CODE_NO> (1,797)
90477325

$$$$
WAY-329432
csChFnd80/06171916322D

 21 24  0  0  0  0  0  0  0  0999 V2000
    1.0698    0.1078    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7302    0.1286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7302    1.7411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3385    2.5453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3385   -0.6964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1260    2.5453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0698    1.7411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4615   -0.6964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5177    1.7411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5177    0.1078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1260   -0.6964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8573    0.1078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2490   -0.6964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0635    2.2411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0635   -0.3839    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0135    0.9328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2490   -2.3214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4490   -2.3089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8448   -3.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6573    0.1078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6573   -3.1297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4  7  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  2  0  0  0  0
  7  1  1  0  0  0  0
  8  1  1  0  0  0  0
  9  6  1  0  0  0  0
 10 11  1  0  0  0  0
 11  2  2  0  0  0  0
 12  8  1  0  0  0  0
 13 12  2  0  0  0  0
 14  9  1  0  0  0  0
 15 10  1  0  0  0  0
 16 15  1  0  0  0  0
 17 19  2  0  0  0  0
 18  8  2  0  0  0  0
 19 18  1  0  0  0  0
 20 13  1  0  0  0  0
 21 17  1  0  0  0  0
  2  3  1  0  0  0  0
 17 13  1  0  0  0  0
  9 10  2  0  0  0  0
 16 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,798)
1798

>  <Formula> (1,798)
C17H17NO3

>  <MolWeight> (1,798)
283.32178

>  <COMPOUND_NAME> (1,798)
WAY-329432

>  <BAR_CODE_NO> (1,798)
304433

$$$$
WAY-642725-A
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
   -1.5458   -1.9000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.8333   -2.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917   -0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208    0.5750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208   -1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208   -1.0750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917    0.1625    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.1208    1.4000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.8333    1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458   -1.0750    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.8333   -3.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2625   -2.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3125   -1.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917   -2.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8333    2.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3125    0.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208   -3.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917   -3.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917    1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917    2.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208    3.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458    3.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3125    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0250    0.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208   -4.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2625    1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2625    2.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7417    0.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0250    1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7417    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  2  2  0  0  0  0
  6  5  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  1  0  0  0  0
  9  8  1  0  0  0  0
 10  1  1  0  0  0  0
 11  2  1  0  0  0  0
 12  1  2  0  0  0  0
 13  3  2  0  0  0  0
 14  5  1  0  0  0  0
 15  9  2  0  0  0  0
 16  7  1  0  0  0  0
 17 11  2  0  0  0  0
 18 14  2  0  0  0  0
 19  8  1  0  0  0  0
 20 19  1  0  0  0  0
 21  9  1  0  0  0  0
 22 20  1  0  0  0  0
 23 15  1  0  0  0  0
 24 16  2  0  0  0  0
 25 16  1  0  0  0  0
 26 17  1  0  0  0  0
 27 21  2  0  0  0  0
 28 27  1  0  0  0  0
 29 25  2  0  0  0  0
 30 24  1  0  0  0  0
 31 29  1  0  0  0  0
 18 17  1  0  0  0  0
 31 30  2  0  0  0  0
 22 15  1  0  0  0  0
 28 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,799)
1799

>  <Formula> (1,799)
C25H25N3O3

>  <MolWeight> (1,799)
415.4843

>  <COMPOUND_NAME> (1,799)
WAY-642725-A

>  <BAR_CODE_NO> (1,799)
90477288

$$$$
WAY-331610
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
   10.2708   -7.1250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   15.0000   -8.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8875   -7.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1125   -7.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.9500   -8.9750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1750   -8.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7500   -7.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4500   -7.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7500   -7.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0250   -8.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5750   -7.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2708   -8.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2625   -5.9625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5250   -6.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5000   -8.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1750   -6.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9750   -8.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -9.0875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3375   -8.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3375   -6.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0250   -6.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -8.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7375   -6.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2125   -9.1750    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.9750   -6.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -6.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2125   -7.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  7  1  0  0  0  0
  4  1  1  0  0  0  0
  5  6  1  0  0  0  0
  6 10  2  0  0  0  0
  7 16  2  0  0  0  0
  8  1  1  0  0  0  0
  9 19  1  0  0  0  0
 10  8  1  0  0  0  0
 11  9  1  0  0  0  0
 12  1  2  0  0  0  0
 13  1  2  0  0  0  0
 14  4  1  0  0  0  0
 15  4  1  0  0  0  0
 16 21  1  0  0  0  0
 17 11  2  0  0  0  0
 18  2  2  0  0  0  0
 19 15  1  0  0  0  0
 20 14  1  0  0  0  0
 21  8  2  0  0  0  0
 22 17  1  0  0  0  0
 23  3  1  0  0  0  0
 24 22  1  0  0  0  0
 25 11  1  0  0  0  0
 26 25  2  0  0  0  0
 27 26  1  0  0  0  0
 20  9  1  0  0  0  0
  7  6  1  0  0  0  0
  2  3  1  0  0  0  0
 27 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,800)
1800

>  <Formula> (1,800)
C18H18ClN3O4S

>  <MolWeight> (1,800)
407.87122

>  <COMPOUND_NAME> (1,800)
WAY-331610

>  <BAR_CODE_NO> (1,800)
306611

$$$$
WAY-331620
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
   10.2708   -7.1250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   15.0000   -8.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8875   -7.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1125   -7.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.9500   -8.9750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1750   -8.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7500   -7.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4500   -7.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0250   -8.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8000   -7.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2625   -5.9625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2708   -8.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5250   -6.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5250   -8.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1750   -6.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6500   -7.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -9.0875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3750   -6.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3750   -8.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0250   -6.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0875   -8.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0875   -6.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7375   -6.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3625   -7.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9250   -6.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9500   -8.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2125   -7.1125    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  7  1  0  0  0  0
  4  1  1  0  0  0  0
  5  6  1  0  0  0  0
  6  9  2  0  0  0  0
  7 15  2  0  0  0  0
  8  1  1  0  0  0  0
  9  8  1  0  0  0  0
 10 19  1  0  0  0  0
 11  1  2  0  0  0  0
 12  1  2  0  0  0  0
 13  4  1  0  0  0  0
 14  4  1  0  0  0  0
 15 20  1  0  0  0  0
 16 10  1  0  0  0  0
 17  2  2  0  0  0  0
 18 13  1  0  0  0  0
 19 14  1  0  0  0  0
 20  8  2  0  0  0  0
 21 16  2  0  0  0  0
 22 16  1  0  0  0  0
 23  3  1  0  0  0  0
 24 25  1  0  0  0  0
 25 22  2  0  0  0  0
 26 21  1  0  0  0  0
 27 24  1  0  0  0  0
 18 10  1  0  0  0  0
  7  6  1  0  0  0  0
  2  3  1  0  0  0  0
 24 26  2  0  0  0  0
M  END
>  <Mol_ID> (1,801)
1801

>  <Formula> (1,801)
C18H18FN3O4S

>  <MolWeight> (1,801)
391.4166232

>  <COMPOUND_NAME> (1,801)
WAY-331620

>  <BAR_CODE_NO> (1,801)
306621

$$$$
WAY-333760
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
  -11.8542    6.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8542    7.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5167    5.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3417    5.5667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5167    8.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1667    7.5875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -14.2292    6.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1667    6.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3417    8.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8042    8.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.9042    4.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4542    7.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4583    8.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5167    9.9125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1333    9.8542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1250    8.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083    7.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5958   10.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417    8.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4667    6.0292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -15.4250    3.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9250    2.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7750    7.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0000    2.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.5000    1.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.0667    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.6667   -0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  8  1  0  0  0  0
  7  4  1  0  0  0  0
  8  3  2  0  0  0  0
  9  2  1  0  0  0  0
 10  6  1  0  0  0  0
 11  4  1  0  0  0  0
 12 10  1  0  0  0  0
 13 23  1  0  0  0  0
 14  5  2  0  0  0  0
 15 13  1  0  0  0  0
 16 12  1  0  0  0  0
 17 13  2  0  0  0  0
 18 15  1  0  0  0  0
 19 17  1  0  0  0  0
 20 12  2  0  0  0  0
 21 11  1  0  0  0  0
 22 11  2  0  0  0  0
 23 16  1  0  0  0  0
 24 21  2  0  0  0  0
 25 22  1  0  0  0  0
 26 25  2  0  0  0  0
 27 26  1  0  0  0  0
  7  9  2  0  0  0  0
  5  6  1  0  0  0  0
 26 24  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (1,802)
1802

>  <Formula> (1,802)
C19H17N5O3

>  <MolWeight> (1,802)
363.36998

>  <COMPOUND_NAME> (1,802)
WAY-333760

>  <BAR_CODE_NO> (1,802)
308761

$$$$
WAY-330072
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    4.8425    4.2009    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8425    2.7959    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6304    4.9238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6304    2.1035    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4243    4.2009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0567    4.9014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4810    4.9014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4243    2.7959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2689    4.2009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6304    6.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6932    4.2009    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.6932    2.8040    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4810    6.3065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9053    2.1177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2162    4.9014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2162    2.1035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9053    4.9014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8992    0.7147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1114    2.7959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3296    2.0934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1175    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3093    0.6721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  9  1  0  0  0  0
  8  5  2  0  0  0  0
  9  6  1  0  0  0  0
 10  3  2  0  0  0  0
 11  7  1  0  0  0  0
 12 11  1  0  0  0  0
 13  7  2  0  0  0  0
 14 12  1  0  0  0  0
 15  5  1  0  0  0  0
 16  8  1  0  0  0  0
 17 11  1  0  0  0  0
 18 14  2  0  0  0  0
 19 14  1  0  0  0  0
 20 15  2  0  0  0  0
 21 20  1  0  0  0  0
 22 19  2  0  0  0  0
 23 18  1  0  0  0  0
 24 22  1  0  0  0  0
  4  8  1  0  0  0  0
 16 21  2  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (1,803)
1803

>  <Formula> (1,803)
C17H15N3O4

>  <MolWeight> (1,803)
325.3187

>  <COMPOUND_NAME> (1,803)
WAY-330072

>  <BAR_CODE_NO> (1,803)
305073

$$$$
WAY-643404
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -0.8875   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1750   -1.4042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417    1.4833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542    1.0708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1750   -2.2292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417    2.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8875   -2.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9667    1.4833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542    2.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6083   -1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6083   -2.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8875   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1750    1.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1750    0.2458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9667    2.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1750    2.7208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8875   -3.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6083    0.2458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417   -2.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542    3.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3208   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3208   -2.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6792    2.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542   -2.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9667    3.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0333   -1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0333   -2.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9667   -2.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6792    3.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3 13  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7 11  1  0  0  0  0
  8  4  2  0  0  0  0
  9  6  1  0  0  0  0
 10  1  1  0  0  0  0
 11 10  2  0  0  0  0
 12  1  1  0  0  0  0
 13 14  1  0  0  0  0
 14 12  1  0  0  0  0
 15  9  2  0  0  0  0
 16  6  2  0  0  0  0
 17  7  2  0  0  0  0
 18 12  2  0  0  0  0
 19  5  1  0  0  0  0
 20  9  1  0  0  0  0
 21 10  1  0  0  0  0
 22 11  1  0  0  0  0
 23 15  1  0  0  0  0
 24 19  1  0  0  0  0
 25 20  2  0  0  0  0
 26 21  2  0  0  0  0
 27 26  1  0  0  0  0
 28 24  1  0  0  0  0
 29 25  1  0  0  0  0
  7  5  1  0  0  0  0
 27 22  2  0  0  0  0
 15  8  1  0  0  0  0
 29 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,804)
1804

>  <Formula> (1,804)
C20H17N5O4

>  <MolWeight> (1,804)
391.38008

>  <COMPOUND_NAME> (1,804)
WAY-643404

>  <BAR_CODE_NO> (1,804)
90477976

$$$$
WAY-330073
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    4.8425    2.0974    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8425    0.6924    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6304    2.8202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6304    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4243    2.0974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0567    2.7979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4243    0.6924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4810    2.7979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2689    2.0974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6304    4.2090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4810    4.2029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8992    2.7979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6932    2.0974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1175    2.0974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2162    2.7979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3296    2.7979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1175    4.8973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2162    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9053    4.2233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3296    4.2029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5357    2.0974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  5  2  0  0  0  0
  8  9  1  0  0  0  0
  9  6  1  0  0  0  0
 10  3  2  0  0  0  0
 11  8  2  0  0  0  0
 12 13  1  0  0  0  0
 13  8  1  0  0  0  0
 14 12  2  0  0  0  0
 15  5  1  0  0  0  0
 16 14  1  0  0  0  0
 17 19  2  0  0  0  0
 18  7  1  0  0  0  0
 19 12  1  0  0  0  0
 20 17  1  0  0  0  0
 21 16  1  0  0  0  0
 22 15  2  0  0  0  0
 23 22  1  0  0  0  0
  4  7  1  0  0  0  0
 18 23  2  0  0  0  0
 16 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,805)
1805

>  <Formula> (1,805)
C17H15N3O3

>  <MolWeight> (1,805)
309.3193

>  <COMPOUND_NAME> (1,805)
WAY-330073

>  <BAR_CODE_NO> (1,805)
305074

$$$$
WAY-644005
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -0.8814    0.8894    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9607    0.4307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1704    0.2687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9676    2.0721    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7400    1.3135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3227   -0.6865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2083    0.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1704   -0.9072    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1400    2.3445    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8952    1.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4952   -0.9244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2635    0.2618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2083    2.0514    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2186   -1.5141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2883   -0.0279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2635   -0.9141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2911   -1.5072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7048   -2.5279    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.8773   -0.4900    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.3152   -2.1037    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  2  0  0  0  0
 10 15  2  0  0  0  0
 12 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
  5  9  1  0  0  0  0
 11 15  1  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,806)
1806

>  <Formula> (1,806)
C12H6ClF3N4

>  <MolWeight> (1,806)
298.6510496

>  <COMPOUND_NAME> (1,806)
WAY-644005

>  <BAR_CODE_NO> (1,806)
90478580

$$$$
WAY-643585
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -1.0333   -0.8792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958   -1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5500   -1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417   -0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0125    0.5375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -0.1542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5417    1.6833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208   -1.3167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2250   -0.7167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542    2.0500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.8917    0.0250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4917    2.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4583    0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6917    2.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1375   -1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583   -2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3208   -0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3625    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7625    1.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9500   -2.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1625   -2.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208    1.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083   -0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  2  0  0  0  0
  9  1  2  0  0  0  0
 10  1  2  0  0  0  0
 11  7  1  0  0  0  0
 12  4  2  0  0  0  0
 13  8  1  0  0  0  0
 14  6  1  0  0  0  0
 15 11  1  0  0  0  0
 16  3  1  0  0  0  0
 17  2  1  0  0  0  0
 18  6  1  0  0  0  0
 19 14  2  0  0  0  0
 20 14  1  0  0  0  0
 21 22  1  0  0  0  0
 22 17  2  0  0  0  0
 23 20  2  0  0  0  0
 24 19  1  0  0  0  0
 25 23  1  0  0  0  0
 21 16  2  0  0  0  0
 25 24  2  0  0  0  0
 15 13  2  0  0  0  0
M  END
>  <Mol_ID> (1,807)
1807

>  <Formula> (1,807)
C17H15N3O3S2

>  <MolWeight> (1,807)
373.4493

>  <COMPOUND_NAME> (1,807)
WAY-643585

>  <BAR_CODE_NO> (1,807)
90478157

$$$$
WAY-330567
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
    4.5917   -4.1167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5917   -4.9417    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.8750   -3.7000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.3750   -3.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8625   -4.5167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8750   -2.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1625   -4.1167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.8792   -4.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3792   -5.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8750   -5.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1625   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5917   -2.4542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6917   -4.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1125   -5.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6292   -3.0667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1542   -2.4542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6417    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6292    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6917   -5.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9292    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6042   -1.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3292   -0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9125   -0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3167   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9042   -1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9375   -5.2250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3625    1.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3542   -5.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9417   -6.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  3  1  0  0  0  0
  7  3  1  0  0  0  0
  8  2  1  0  0  0  0
  9  2  1  0  0  0  0
 10  2  1  0  0  0  0
 11  7  1  0  0  0  0
 12  6  1  0  0  0  0
 13  5  1  0  0  0  0
 14 13  1  0  0  0  0
 15  4  2  0  0  0  0
 16  6  2  0  0  0  0
 17 18  1  0  0  0  0
 18 23  1  0  0  0  0
 19 14  2  0  0  0  0
 20 17  2  0  0  0  0
 21 12  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 21  2  0  0  0  0
 25 21  1  0  0  0  0
 26 14  1  0  0  0  0
 27 17  1  0  0  0  0
 28 26  1  0  0  0  0
 29 28  1  0  0  0  0
  5  9  1  0  0  0  0
  8  7  1  0  0  0  0
 11 10  2  0  0  0  0
 18 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,808)
1808

>  <Formula> (1,808)
C21H22N2O6

>  <MolWeight> (1,808)
398.40918

>  <COMPOUND_NAME> (1,808)
WAY-330567

>  <BAR_CODE_NO> (1,808)
305568

$$$$
WAY-642236
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
    1.5542    0.2208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5542   -0.6042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417   -1.0167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.1292   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833   -1.0167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7333   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7292    0.2208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792    0.2208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5542    1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0125   -1.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7333    0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5125   -0.8625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5125    0.4708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292    0.2208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9958   -0.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0125    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2750   -1.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000    0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417   -1.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2750    1.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417    1.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2750   -1.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5542   -2.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417    2.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2750    2.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5542    2.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6 10  1  0  0  0  0
  7  1  2  0  0  0  0
  8  1  2  0  0  0  0
  9  1  1  0  0  0  0
 10 13  2  0  0  0  0
 11 17  1  0  0  0  0
 12  6  1  0  0  0  0
 13  5  1  0  0  0  0
 14 11  1  0  0  0  0
 15  4  2  0  0  0  0
 16 12  1  0  0  0  0
 17 19  2  0  0  0  0
 18  2  1  0  0  0  0
 19 13  1  0  0  0  0
 20  3  1  0  0  0  0
 21  9  1  0  0  0  0
 22  9  2  0  0  0  0
 23 18  1  0  0  0  0
 24 23  1  0  0  0  0
 25 22  1  0  0  0  0
 26 21  2  0  0  0  0
 27 25  2  0  0  0  0
 27 26  1  0  0  0  0
 24 20  1  0  0  0  0
 11  6  2  0  0  0  0
 16 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,809)
1809

>  <Formula> (1,809)
C19H20N2O5S

>  <MolWeight> (1,809)
388.4375

>  <COMPOUND_NAME> (1,809)
WAY-642236

>  <BAR_CODE_NO> (1,809)
90476793

$$$$
WAY-331270
csChFnd80/06171916322D

 26 30  0  0  0  0  0  0  0  0999 V2000
   11.8875   -7.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8958   -8.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8958   -5.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1000   -9.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2875   -7.0500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   14.3875   -8.2375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.3625   -6.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3625   -8.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5500  -10.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0500   -9.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8375   -5.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4250   -4.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4500   -5.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7750   -4.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9375   -2.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3375   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9375   -5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9375   -8.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5000   -0.9375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4625  -12.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4250  -10.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5500   -6.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5500   -8.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8500  -13.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3500  -12.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  2  0  0  0  0
  5  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7  3  1  0  0  0  0
  8  2  1  0  0  0  0
  9  4  1  0  0  0  0
 10  6  1  0  0  0  0
 11  5  1  0  0  0  0
 12  3  1  0  0  0  0
 13 11  2  0  0  0  0
 14 11  1  0  0  0  0
 15 16  1  0  0  0  0
 16 14  2  0  0  0  0
 17 13  1  0  0  0  0
 18  7  2  0  0  0  0
 19  8  2  0  0  0  0
 20 15  1  0  0  0  0
 21  9  1  0  0  0  0
 22 10  1  0  0  0  0
 23 18  1  0  0  0  0
 24 19  1  0  0  0  0
 25 21  2  0  0  0  0
 26 22  2  0  0  0  0
  8  7  1  0  0  0  0
  9 10  2  0  0  0  0
 15 17  2  0  0  0  0
 24 23  2  0  0  0  0
 26 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,810)
1810

>  <Formula> (1,810)
C22H15NO2S

>  <MolWeight> (1,810)
357.425

>  <COMPOUND_NAME> (1,810)
WAY-331270

>  <BAR_CODE_NO> (1,810)
306271

$$$$
WAY-624493
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -1.6333    0.5833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6333    1.4083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3458    0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3458    1.8208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0583    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2292    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6542   -1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9417   -0.6542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167    0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9417    0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6542   -1.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9125    0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000    0.5833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0583    1.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3250   -2.3792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3458   -0.6542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3750   -0.6542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9917   -2.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167   -0.6542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0667   -3.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2417   -3.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7708    0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2292    1.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6542    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7708    1.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4875    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9417    1.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6542    1.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4875    1.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  8 10  1  0  0  0  0
  9 13  1  0  0  0  0
 10  6  2  0  0  0  0
 11  7  1  0  0  0  0
 12  1  1  0  0  0  0
 13 12  1  0  0  0  0
 14  5  2  0  0  0  0
 15 11  1  0  0  0  0
 16  3  2  0  0  0  0
 17  7  2  0  0  0  0
 18 11  2  0  0  0  0
 19  9  2  0  0  0  0
 20 15  1  0  0  0  0
 21 18  1  0  0  0  0
 22  5  1  0  0  0  0
 23  6  1  0  0  0  0
 24 10  1  0  0  0  0
 25 14  1  0  0  0  0
 26 22  2  0  0  0  0
 27 23  2  0  0  0  0
 28 27  1  0  0  0  0
 29 26  1  0  0  0  0
 14  4  1  0  0  0  0
 29 25  2  0  0  0  0
 28 24  2  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (1,811)
1811

>  <Formula> (1,811)
C20H14N4O5

>  <MolWeight> (1,811)
390.34896

>  <COMPOUND_NAME> (1,811)
WAY-624493

>  <BAR_CODE_NO> (1,811)
90458669

$$$$
WAY-332438
csChFnd80/06171916322D

 33 36  0  0  0  0  0  0  0  0999 V2000
    7.4375   -5.1125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.6375   -4.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3875   -5.1125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6125   -5.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5000   -5.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2625   -5.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4250   -5.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2125   -5.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0750   -4.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7500   -3.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0250   -4.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2875   -6.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6625   -3.9750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8625   -4.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8500   -6.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0750   -6.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2125   -5.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8000   -4.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7750   -6.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0250   -6.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7667   -3.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6875   -4.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6750   -6.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2000   -6.6125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4250   -5.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4250   -4.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6375   -4.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2125   -5.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6250   -6.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0875   -5.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2375   -3.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0875   -6.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  1  0  0  0  0
  4 16  2  0  0  0  0
  5  1  1  0  0  0  0
  6 19  1  0  0  0  0
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9 11  2  0  0  0  0
 10 21  1  0  0  0  0
 11  5  1  0  0  0  0
 12  1  2  0  0  0  0
 13  1  2  0  0  0  0
 14  3  1  0  0  0  0
 15  3  1  0  0  0  0
 16 20  1  0  0  0  0
 17 28  1  0  0  0  0
 18 14  1  0  0  0  0
 19 15  1  0  0  0  0
 20  5  2  0  0  0  0
 21  9  1  0  0  0  0
 22  8  2  0  0  0  0
 23  8  1  0  0  0  0
 24  7  2  0  0  0  0
 25  7  1  0  0  0  0
 26 17  2  0  0  0  0
 27 22  1  0  0  0  0
 28 25  1  0  0  0  0
 29 23  2  0  0  0  0
 30 17  1  0  0  0  0
 31 29  1  0  0  0  0
 32 22  1  0  0  0  0
 33 29  1  0  0  0  0
  9  4  1  0  0  0  0
 18  6  1  0  0  0  0
  2 10  1  0  0  0  0
 27 31  2  0  0  0  0
M  END
>  <Mol_ID> (1,812)
1812

>  <Formula> (1,812)
C24H29N3O5S

>  <MolWeight> (1,812)
471.56916

>  <COMPOUND_NAME> (1,812)
WAY-332438

>  <BAR_CODE_NO> (1,812)
307439

$$$$
WAY-332437
csChFnd80/06171916322D

 33 36  0  0  0  0  0  0  0  0999 V2000
    7.4375   -5.1125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.6375   -4.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3875   -5.1125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6125   -5.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5000   -5.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2500   -5.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4250   -5.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000   -5.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0750   -4.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6750   -6.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7500   -3.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0250   -4.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6625   -3.9750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2875   -6.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8500   -6.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8500   -4.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0750   -6.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2125   -5.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7875   -4.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7875   -6.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0250   -6.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7667   -3.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2000   -6.6125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4250   -5.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6125   -6.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4250   -4.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2125   -5.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6625   -4.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2125   -6.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000   -4.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0750   -5.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0875   -6.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  1  0  0  0  0
  4 17  2  0  0  0  0
  5  1  1  0  0  0  0
  6 19  1  0  0  0  0
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9 12  2  0  0  0  0
 10  8  1  0  0  0  0
 11 22  1  0  0  0  0
 12  5  1  0  0  0  0
 13  1  2  0  0  0  0
 14  1  2  0  0  0  0
 15  3  1  0  0  0  0
 16  3  1  0  0  0  0
 17 21  1  0  0  0  0
 18 27  1  0  0  0  0
 19 16  1  0  0  0  0
 20 15  1  0  0  0  0
 21  5  2  0  0  0  0
 22  9  1  0  0  0  0
 23  7  2  0  0  0  0
 24  7  1  0  0  0  0
 25 10  2  0  0  0  0
 26 18  2  0  0  0  0
 27 24  1  0  0  0  0
 28 18  1  0  0  0  0
 29  8  2  0  0  0  0
 30 10  1  0  0  0  0
 31 29  1  0  0  0  0
 32 31  2  0  0  0  0
 33 25  1  0  0  0  0
  9  4  1  0  0  0  0
 20  6  1  0  0  0  0
  2 11  1  0  0  0  0
 32 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,813)
1813

>  <Formula> (1,813)
C24H29N3O5S

>  <MolWeight> (1,813)
471.56916

>  <COMPOUND_NAME> (1,813)
WAY-332437

>  <BAR_CODE_NO> (1,813)
307438

$$$$
WAY-624673
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.3125    1.0833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167   -2.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3125    2.7333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333    1.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3125    0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000    2.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167   -1.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333    2.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000    1.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8292   -2.6292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000   -2.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000   -0.9792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167    2.7333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333   -0.1542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8292   -0.9792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000   -3.4542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458    1.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458    2.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8292   -3.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167   -3.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4583    1.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4583    2.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  1  0  0  0  0
  3  6  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  9  1  0  0  0  0
  7 12  1  0  0  0  0
  8  4  2  0  0  0  0
  9  1  1  0  0  0  0
 10  2  1  0  0  0  0
 11  2  2  0  0  0  0
 12 13  1  0  0  0  0
 13  5  1  0  0  0  0
 14  6  2  0  0  0  0
 15  5  2  0  0  0  0
 16  7  2  0  0  0  0
 17 11  1  0  0  0  0
 18  4  1  0  0  0  0
 19  8  1  0  0  0  0
 20 10  1  0  0  0  0
 21 17  1  0  0  0  0
 22 18  2  0  0  0  0
 23 22  1  0  0  0  0
  3  8  1  0  0  0  0
 23 19  2  0  0  0  0
 21 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,814)
1814

>  <Formula> (1,814)
C15H14N2O6

>  <MolWeight> (1,814)
318.28146

>  <COMPOUND_NAME> (1,814)
WAY-624673

>  <BAR_CODE_NO> (1,814)
90458849

$$$$
WAY-616585
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -1.0333    1.8500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7500    2.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333    1.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208    3.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7500    3.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208    2.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3958   -0.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208    0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3958   -1.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3958    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7500    0.6125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208   -0.2125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1083   -0.2125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8250   -3.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8250   -3.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1083   -2.6875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1083   -1.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1083   -4.3375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.4625    1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4625    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5375   -2.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5375   -4.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1792    2.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1792    3.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2542   -3.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2542   -3.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  7  1  0  0  0  0
  6  3  2  0  0  0  0
  7  1  1  0  0  0  0
  8 13  1  0  0  0  0
  9  4  1  0  0  0  0
 10  8  1  0  0  0  0
 11  5  2  0  0  0  0
 12  4  2  0  0  0  0
 13  9  1  0  0  0  0
 14  8  2  0  0  0  0
 15 17  1  0  0  0  0
 16 15  2  0  0  0  0
 17 18  1  0  0  0  0
 18 10  1  0  0  0  0
 19 16  1  0  0  0  0
 20  3  1  0  0  0  0
 21  6  1  0  0  0  0
 22 15  1  0  0  0  0
 23 16  1  0  0  0  0
 24 20  2  0  0  0  0
 25 24  1  0  0  0  0
 26 27  1  0  0  0  0
 27 22  2  0  0  0  0
  6  2  1  0  0  0  0
 21 25  2  0  0  0  0
 23 26  2  0  0  0  0
M  END
>  <Mol_ID> (1,815)
1815

>  <Formula> (1,815)
C19H17ClN2O4S

>  <MolWeight> (1,815)
404.86728

>  <COMPOUND_NAME> (1,815)
WAY-616585

>  <BAR_CODE_NO> (1,815)
90450577

$$$$
WAY-333865
csChFnd80/06171916322D

 29 31  0  0  0  0  0  0  0  0999 V2000
  -12.3542    6.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3542    7.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.9125    5.8042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9667    5.4792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9667    8.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5542    7.9042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -14.8292    7.1167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5542    6.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.9125    8.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5583    8.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9333    7.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5583   10.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7292    7.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3458    8.7167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1292    8.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.4417    4.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9667   10.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9708   11.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7417    6.2917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1500   11.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1500    7.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9208    6.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0000    4.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.9792    2.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8917    3.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542   10.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1500    6.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5250    5.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   11.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  8  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  2  0  0  0  0
  9  2  1  0  0  0  0
 10 11  1  0  0  0  0
 11 14  1  0  0  0  0
 12 10  1  0  0  0  0
 13 15  1  0  0  0  0
 14 13  1  0  0  0  0
 15  6  1  0  0  0  0
 16  3  1  0  0  0  0
 17  5  2  0  0  0  0
 18 12  2  0  0  0  0
 19 13  2  0  0  0  0
 20 12  1  0  0  0  0
 21 10  2  0  0  0  0
 22 11  2  0  0  0  0
 23 16  1  0  0  0  0
 24 16  1  0  0  0  0
 25 16  1  0  0  0  0
 26 20  1  0  0  0  0
 27 28  2  0  0  0  0
 28 22  1  0  0  0  0
 29 26  1  0  0  0  0
  7  9  2  0  0  0  0
  5  6  1  0  0  0  0
 21 27  1  0  0  0  0
M  END
>  <Mol_ID> (1,816)
1816

>  <Formula> (1,816)
C20H23N5O4

>  <MolWeight> (1,816)
397.42772

>  <COMPOUND_NAME> (1,816)
WAY-333865

>  <BAR_CODE_NO> (1,816)
308866

$$$$
WAY-329539
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
   10.5542   -9.4917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1667  -10.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7417   -7.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4417  -13.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9792  -12.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4667   -7.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3500   -8.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9792  -10.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9042  -12.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4417   -9.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0167  -10.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9167  -10.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3875  -13.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5250  -11.9292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4417   -6.5417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000   -9.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000  -13.0292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3875   -9.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333  -12.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333  -10.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1042   -8.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3500   -5.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6708  -13.0292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1958  -12.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1042   -5.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5  8  1  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8 16  1  0  0  0  0
  9 12  1  0  0  0  0
 10  8  2  0  0  0  0
 11  1  1  0  0  0  0
 12 10  1  0  0  0  0
 13  9  2  0  0  0  0
 14  2  2  0  0  0  0
 15  3  2  0  0  0  0
 16 11  1  0  0  0  0
 17  5  2  0  0  0  0
 18 12  2  0  0  0  0
 19 20  2  0  0  0  0
 20 18  1  0  0  0  0
 21  7  1  0  0  0  0
 22  6  1  0  0  0  0
 23 19  1  0  0  0  0
 24 23  1  0  0  0  0
 25 22  2  0  0  0  0
 26 21  2  0  0  0  0
  6  7  2  0  0  0  0
 26 25  1  0  0  0  0
  4  9  1  0  0  0  0
 19 13  1  0  0  0  0
M  END
>  <Mol_ID> (1,817)
1817

>  <Formula> (1,817)
C20H16N2O4

>  <MolWeight> (1,817)
348.35204

>  <COMPOUND_NAME> (1,817)
WAY-329539

>  <BAR_CODE_NO> (1,817)
304540

$$$$
WAY-330749
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
   12.6875   -2.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.7875   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3500   -1.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5750   -2.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.0250   -0.3875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.4625   -1.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9250    0.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.3500   -4.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8125   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9125   -3.3625    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.0125   -3.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2500   -4.3125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6875   -3.5125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6875   -1.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3125   -3.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4250   -3.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6875   -5.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9000   -5.2750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5875   -5.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0125   -1.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0250   -6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3625   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9125   -6.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9125   -1.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6875   -7.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2500   -6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5875   -7.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3500   -5.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  2  0  0  0  0
  6  3  1  0  0  0  0
  7  5  1  0  0  0  0
  8 10  1  0  0  0  0
  9  6  2  0  0  0  0
 10 11  1  0  0  0  0
 11  4  1  0  0  0  0
 12  8  1  0  0  0  0
 13  1  2  0  0  0  0
 14  1  2  0  0  0  0
 15  2  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 12  1  0  0  0  0
 19  8  2  0  0  0  0
 20 18  2  0  0  0  0
 21  4  1  0  0  0  0
 22 20  1  0  0  0  0
 23 25  1  0  0  0  0
 24 22  1  0  0  0  0
 25 21  1  0  0  0  0
 26 27  2  0  0  0  0
 27 18  1  0  0  0  0
 28 26  1  0  0  0  0
 29 24  1  0  0  0  0
 10 23  1  0  0  0  0
 17  6  1  0  0  0  0
  9  7  1  0  0  0  0
 28 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,818)
1818

>  <Formula> (1,818)
C19H20N4O4S2

>  <MolWeight> (1,818)
432.5165

>  <COMPOUND_NAME> (1,818)
WAY-330749

>  <BAR_CODE_NO> (1,818)
305750

$$$$
WAY-329509
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
    3.6421    2.0832    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4335    4.1908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4173    2.7919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6421    4.8933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8568    2.7797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8568    4.1908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7016    4.1706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2127    4.8933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2127    2.0832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0635    2.0832    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7016    2.7797    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4929    4.8771    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9163    4.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0635    4.8771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2127    6.2720    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2248    0.6985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2721    4.1766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0824    4.1706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8981    6.2781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4395    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.9705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1411    6.9766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3275    4.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3558    6.2477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  6  2  0  0  0  0
  5  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7 14  1  0  0  0  0
  8  2  2  0  0  0  0
  9  3  2  0  0  0  0
 10  5  2  0  0  0  0
 11  7  2  0  0  0  0
 12 13  2  0  0  0  0
 13  9  1  0  0  0  0
 14 19  1  0  0  0  0
 15  7  1  0  0  0  0
 16  6  1  0  0  0  0
 17  8  1  0  0  0  0
 18  9  1  0  0  0  0
 19 16  1  0  0  0  0
 20 15  1  0  0  0  0
 21 15  1  0  0  0  0
 22 18  1  0  0  0  0
 23 17  1  0  0  0  0
 24 21  1  0  0  0  0
 25 20  1  0  0  0  0
 26 24  1  0  0  0  0
  4  2  1  0  0  0  0
 12  8  1  0  0  0  0
 26 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,819)
1819

>  <Formula> (1,819)
C20H26N2O4

>  <MolWeight> (1,819)
358.43144

>  <COMPOUND_NAME> (1,819)
WAY-329509

>  <BAR_CODE_NO> (1,819)
304510

$$$$
WAY-333231
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    7.3417  -12.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2667  -12.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1917  -12.7667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2625  -14.6417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1792  -14.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3417  -14.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4292  -12.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1042  -12.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2667  -10.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1042  -14.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4417  -10.9125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0292  -12.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0292  -14.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5042  -12.7917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.9042  -10.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7417  -12.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9000  -12.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8292  -10.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8167  -12.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7417  -10.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5792  -12.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9917  -10.3542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6500  -12.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -9.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  6  1  0  0  0  0
  5  4  2  0  0  0  0
  6  1  2  0  0  0  0
  7  1  1  0  0  0  0
  8  3  1  0  0  0  0
  9  2  2  0  0  0  0
 10  5  1  0  0  0  0
 11  7  2  0  0  0  0
 12  8  2  0  0  0  0
 13 10  2  0  0  0  0
 14  7  1  0  0  0  0
 15 18  1  0  0  0  0
 16 23  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 16  2  0  0  0  0
 20 16  1  0  0  0  0
 21 14  1  0  0  0  0
 22 15  1  0  0  0  0
 23 21  1  0  0  0  0
 24 22  1  0  0  0  0
  5  3  1  0  0  0  0
 13 12  1  0  0  0  0
 15 17  2  0  0  0  0
M  END
>  <Mol_ID> (1,820)
1820

>  <Formula> (1,820)
C18H17N3O3

>  <MolWeight> (1,820)
323.34588

>  <COMPOUND_NAME> (1,820)
WAY-333231

>  <BAR_CODE_NO> (1,820)
308232

$$$$
WAY-331336
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
    5.5375  -12.1750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8375  -10.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5125   -9.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2500  -13.3875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8625   -9.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7750   -8.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9750   -8.0250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.6875   -7.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6250  -13.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3250  -12.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4625  -11.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7500  -11.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3250  -12.8750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7125   -9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3750   -8.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7250  -12.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6375  -10.9750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4250  -13.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6000  -13.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8250  -13.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -13.4000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   13.9125  -14.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9125  -12.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5125  -14.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5125  -12.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5375  -14.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  2  0  0  0  0
  6  3  1  0  0  0  0
  7  5  1  0  0  0  0
  8  6  2  0  0  0  0
  9  4  1  0  0  0  0
 10  9  1  0  0  0  0
 11  2  2  0  0  0  0
 12  1  2  0  0  0  0
 13  1  2  0  0  0  0
 14 11  1  0  0  0  0
 15 14  2  0  0  0  0
 16 10  1  0  0  0  0
 17 10  2  0  0  0  0
 18 16  1  0  0  0  0
 19 23  2  0  0  0  0
 20 18  1  0  0  0  0
 21 19  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
 24 20  1  0  0  0  0
 25 20  2  0  0  0  0
 26  4  1  0  0  0  0
  6 15  1  0  0  0  0
  7  8  1  0  0  0  0
 22 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,821)
1821

>  <Formula> (1,821)
C16H15ClN4O3S2

>  <MolWeight> (1,821)
410.8983

>  <COMPOUND_NAME> (1,821)
WAY-331336

>  <BAR_CODE_NO> (1,821)
306337

$$$$
WAY-330222
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
    8.8875   -4.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.8875   -5.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3125   -6.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8875   -2.4625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8750   -6.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3125   -8.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8375   -7.3875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.8875    2.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8750   -8.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3125    3.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4625   -6.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5208   -4.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2500   -4.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4625   -8.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8875    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8875   -9.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3125   -1.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4625   -1.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7250    2.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4625    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4625    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1500    3.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3125    4.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5750    2.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1500    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9000    5.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000    3.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5750    5.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9875    4.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  2  0  0  0  0
  6  3  1  0  0  0  0
  7  5  1  0  0  0  0
  8 15  1  0  0  0  0
  9  6  2  0  0  0  0
 10  8  1  0  0  0  0
 11  2  2  0  0  0  0
 12  1  2  0  0  0  0
 13  1  2  0  0  0  0
 14 11  1  0  0  0  0
 15 22  1  0  0  0  0
 16 14  2  0  0  0  0
 17  4  1  0  0  0  0
 18  4  1  0  0  0  0
 19 10  1  0  0  0  0
 20  8  2  0  0  0  0
 21 17  1  0  0  0  0
 22 18  1  0  0  0  0
 23 19  1  0  0  0  0
 24 10  1  0  0  0  0
 25 23  1  0  0  0  0
 26 23  2  0  0  0  0
 27 24  1  0  0  0  0
 28 25  2  0  0  0  0
 29 26  1  0  0  0  0
 30 29  2  0  0  0  0
 21 15  1  0  0  0  0
 16  6  1  0  0  0  0
  7  9  1  0  0  0  0
 28 30  1  0  0  0  0
M  END
>  <Mol_ID> (1,822)
1822

>  <Formula> (1,822)
C21H24N4O3S2

>  <MolWeight> (1,822)
444.57026

>  <COMPOUND_NAME> (1,822)
WAY-330222

>  <BAR_CODE_NO> (1,822)
305223

$$$$
WAY-329902
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.0005   -2.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7055   -2.5942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7056   -2.5942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7055   -3.4252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7056   -3.4252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0005   -3.8411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0005    1.9721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6646    2.4496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6644    2.4496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4147    3.2377    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4518    2.2006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4163    3.2377    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4534    2.2006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7055   -0.9350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0005   -1.3491    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7056   -0.9350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7056   -0.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0005    0.3110    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7055   -0.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0005    1.1420    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8313    1.1420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8306    1.1420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  2  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  6  2  0  0  0  0
 15  1  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
 14 15  1  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
  8 10  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  2  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 12  1  0  0  0  0
 20  7  1  0  0  0  0
M  END
>  <Mol_ID> (1,823)
1823

>  <Formula> (1,823)
C15H20N4O2S

>  <MolWeight> (1,823)
320.4099

>  <COMPOUND_NAME> (1,823)
WAY-329902

>  <BAR_CODE_NO> (1,823)
304903

$$$$
WAY-331331
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
    5.2000  -11.4375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5375  -10.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1750   -9.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8625  -12.5750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4500   -8.8375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4875   -8.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5500   -7.5375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.3500   -7.0250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1625  -12.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8250  -11.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2500  -10.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3500  -10.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0625  -12.0833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7750  -13.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1125  -12.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1375  -11.4375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5500   -9.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1750   -8.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8000  -12.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1125  -14.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1625  -10.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8000  -14.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1000  -13.7125    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.1500  -13.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7750  -16.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.2000  -13.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  2  0  0  0  0
  6  3  1  0  0  0  0
  7  5  1  0  0  0  0
  8  6  2  0  0  0  0
  9  4  1  0  0  0  0
 10  9  1  0  0  0  0
 11  2  2  0  0  0  0
 12  1  2  0  0  0  0
 13  1  2  0  0  0  0
 14 15  1  0  0  0  0
 15 19  2  0  0  0  0
 16 10  1  0  0  0  0
 17 11  1  0  0  0  0
 18 17  2  0  0  0  0
 19 16  1  0  0  0  0
 20 22  1  0  0  0  0
 21 10  2  0  0  0  0
 22 24  2  0  0  0  0
 23 14  1  0  0  0  0
 24 19  1  0  0  0  0
 25 20  1  0  0  0  0
 26  4  1  0  0  0  0
  6 18  1  0  0  0  0
  7  8  1  0  0  0  0
 20 14  2  0  0  0  0
M  END
>  <Mol_ID> (1,824)
1824

>  <Formula> (1,824)
C15H12F2N4O3S2

>  <MolWeight> (1,824)
398.4075864

>  <COMPOUND_NAME> (1,824)
WAY-331331

>  <BAR_CODE_NO> (1,824)
306332

$$$$
WAY-624608
csChFnd80/06171916322D

 17 19  0  0  0  0  0  0  0  0999 V2000
    0.1042    0.3708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750   -0.2917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042   -0.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8917   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8917    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000   -0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458   -1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5625    0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6125   -1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6125    0.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3417    0.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5625    1.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4375    0.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4375   -1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3417    1.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8292    1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8500   -0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  2  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  5  1  0  0  0  0
  9  6  2  0  0  0  0
 10  6  1  0  0  0  0
 11  8  1  0  0  0  0
 12  8  1  0  0  0  0
 13 10  2  0  0  0  0
 14  9  1  0  0  0  0
 15 12  1  0  0  0  0
 16 11  1  0  0  0  0
 17 13  1  0  0  0  0
  4  3  2  0  0  0  0
 15 16  1  0  0  0  0
 17 14  2  0  0  0  0
M  END
>  <Mol_ID> (1,825)
1825

>  <Formula> (1,825)
C14H17N3

>  <MolWeight> (1,825)
227.30488

>  <COMPOUND_NAME> (1,825)
WAY-624608

>  <BAR_CODE_NO> (1,825)
90458784

$$$$
WAY-333871
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
  -12.3542    6.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3542    7.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5542    7.9042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9667    8.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9667    5.4792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -13.9125    5.8042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -14.8292    7.1167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5542    6.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.9125    8.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1292    8.7167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
  -14.4417    4.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9667   10.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1292   10.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7292    7.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.9792    2.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8917    3.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0000    4.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7292   11.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5417   11.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7417   12.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5417   12.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1292   13.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  8  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  5  2  0  0  0  0
  9  2  1  0  0  0  0
 10  3  1  0  0  0  0
 11  6  1  0  0  0  0
 12  4  2  0  0  0  0
 13 10  1  0  0  0  0
 14 10  1  0  0  0  0
 15 11  1  0  0  0  0
 16 11  1  0  0  0  0
 17 11  1  0  0  0  0
 18 13  2  0  0  0  0
 19 13  1  0  0  0  0
 20 18  1  0  0  0  0
 21 19  2  0  0  0  0
 22 21  1  0  0  0  0
  7  9  2  0  0  0  0
  3  4  1  0  0  0  0
 22 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,826)
1826

>  <Formula> (1,826)
C17H20N4O

>  <MolWeight> (1,826)
296.3669

>  <COMPOUND_NAME> (1,826)
WAY-333871

>  <BAR_CODE_NO> (1,826)
308872

$$$$
WAY-333876
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
  -12.3542    6.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3542    7.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.9125    5.8042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9667    5.4792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9667    8.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5542    7.9042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -14.8292    7.1167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5542    6.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.9125    8.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.4417    4.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1292    8.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9667   10.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7292    7.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7292    6.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3458    5.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9333    7.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0000    4.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.9792    2.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8917    3.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3333    8.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9708    6.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3458    3.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  8  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  2  0  0  0  0
  9  2  1  0  0  0  0
 10  3  1  0  0  0  0
 11  6  1  0  0  0  0
 12  5  2  0  0  0  0
 13 11  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 20  2  0  0  0  0
 17 10  1  0  0  0  0
 18 10  1  0  0  0  0
 19 10  1  0  0  0  0
 20 13  1  0  0  0  0
 21 16  1  0  0  0  0
 22 15  1  0  0  0  0
  7  9  2  0  0  0  0
  6  5  1  0  0  0  0
 15 21  2  0  0  0  0
M  END
>  <Mol_ID> (1,827)
1827

>  <Formula> (1,827)
C17H20N4O

>  <MolWeight> (1,827)
296.3669

>  <COMPOUND_NAME> (1,827)
WAY-333876

>  <BAR_CODE_NO> (1,827)
308877

$$$$
WAY-333775
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
  -11.8542    6.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8542    7.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5167    5.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3417    5.5667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5167    8.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1667    7.5875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -14.2292    6.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1667    6.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3417    8.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4542    7.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8042    8.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.9042    4.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5167    9.9125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1250    8.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4667    6.0292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9250    2.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.4250    3.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.0667    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0000    2.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.5000    1.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.6667   -0.2000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.7750    7.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7583    6.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4583    8.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083    7.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4250    5.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083    6.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  8  1  0  0  0  0
  7  4  1  0  0  0  0
  8  3  2  0  0  0  0
  9  2  1  0  0  0  0
 10 11  1  0  0  0  0
 11  6  1  0  0  0  0
 12  4  1  0  0  0  0
 13  5  2  0  0  0  0
 14 10  1  0  0  0  0
 15 10  2  0  0  0  0
 16 12  2  0  0  0  0
 17 12  1  0  0  0  0
 18 19  1  0  0  0  0
 19 17  2  0  0  0  0
 20 16  1  0  0  0  0
 21 18  1  0  0  0  0
 22 14  1  0  0  0  0
 23 22  1  0  0  0  0
 24 22  1  0  0  0  0
 25 24  1  0  0  0  0
 26 23  1  0  0  0  0
 27 25  1  0  0  0  0
  7  9  2  0  0  0  0
  5  6  1  0  0  0  0
 20 18  2  0  0  0  0
 27 26  1  0  0  0  0
M  END
>  <Mol_ID> (1,828)
1828

>  <Formula> (1,828)
C19H20ClN5O2

>  <MolWeight> (1,828)
385.8474

>  <COMPOUND_NAME> (1,828)
WAY-333775

>  <BAR_CODE_NO> (1,828)
308776

$$$$
WAY-642480
csChFnd80/06171916322D

 30 32  0  0  0  0  0  0  0  0999 V2000
   -2.9833    1.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9833    2.3833    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -2.2625    1.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6958    1.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5500    1.5583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8375    1.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2625    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917    1.1458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6958    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167    0.3208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9833   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2625    2.7958    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.6958    2.7958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7375   -0.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208    1.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8375    0.3208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4500   -1.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042    1.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167    1.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7375   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4500   -2.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4083   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9833   -0.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1667   -2.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7375   -2.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7375   -3.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1667   -3.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4500   -3.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  3  2  0  0  0  0
  8 15  1  0  0  0  0
  9  4  1  0  0  0  0
 10 20  1  0  0  0  0
 11  9  2  0  0  0  0
 12  2  1  0  0  0  0
 13  2  2  0  0  0  0
 14 22  1  0  0  0  0
 15  6  1  0  0  0  0
 16  6  2  0  0  0  0
 17 14  2  0  0  0  0
 18  8  1  0  0  0  0
 19  8  1  0  0  0  0
 20 19  1  0  0  0  0
 21 18  1  0  0  0  0
 22 10  1  0  0  0  0
 23 17  1  0  0  0  0
 24  9  1  0  0  0  0
 25 11  1  0  0  0  0
 26 23  2  0  0  0  0
 27 23  1  0  0  0  0
 28 27  2  0  0  0  0
 29 26  1  0  0  0  0
 30 28  1  0  0  0  0
  7 11  1  0  0  0  0
 10 21  1  0  0  0  0
 30 29  2  0  0  0  0
M  END
>  <Mol_ID> (1,829)
1829

>  <Formula> (1,829)
C23H28N4O3

>  <MolWeight> (1,829)
408.49342

>  <COMPOUND_NAME> (1,829)
WAY-642480

>  <BAR_CODE_NO> (1,829)
90477040

$$$$
WAY-333741
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
  -11.8542    6.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8542    7.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5167    5.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3417    5.5667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5167    8.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1667    7.5875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -14.2292    6.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1667    6.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3417    8.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8042    8.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4542    7.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.9042    4.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5167    9.9125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4667    6.0292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1250    8.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7750    7.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4583    8.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9250    2.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.4250    3.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083    7.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4583    9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0000    2.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.5000    1.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208   10.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417    8.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.0667    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292    9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  8  1  0  0  0  0
  7  4  1  0  0  0  0
  8  3  2  0  0  0  0
  9  2  1  0  0  0  0
 10  6  1  0  0  0  0
 11 10  1  0  0  0  0
 12  4  1  0  0  0  0
 13  5  2  0  0  0  0
 14 11  2  0  0  0  0
 15 11  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 12  2  0  0  0  0
 19 12  1  0  0  0  0
 20 17  2  0  0  0  0
 21 17  1  0  0  0  0
 22 19  2  0  0  0  0
 23 18  1  0  0  0  0
 24 21  2  0  0  0  0
 25 20  1  0  0  0  0
 26 22  1  0  0  0  0
 27 24  1  0  0  0  0
  7  9  2  0  0  0  0
  5  6  1  0  0  0  0
 23 26  2  0  0  0  0
 25 27  2  0  0  0  0
M  END
>  <Mol_ID> (1,830)
1830

>  <Formula> (1,830)
C20H16N4O3

>  <MolWeight> (1,830)
360.36604

>  <COMPOUND_NAME> (1,830)
WAY-333741

>  <BAR_CODE_NO> (1,830)
308742

$$$$
WAY-642519
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -1.5708   -0.3667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2833   -0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0417   -0.7042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9958   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3750    0.4583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2833    0.8708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5708    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1792    0.6250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5750   -0.7792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5917   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1375   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9958    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583   -0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2833   -1.6042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1375    0.4583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7125   -0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4167   -0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7125    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9000    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4250   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2042    1.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7167    0.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0250    0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4250    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3 10  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  2  0  0  0  0
  7  8  2  0  0  0  0
  8  1  1  0  0  0  0
  9  6  1  0  0  0  0
 10 12  1  0  0  0  0
 11  4  1  0  0  0  0
 12 14  1  0  0  0  0
 13  7  1  0  0  0  0
 14  1  1  0  0  0  0
 15  2  2  0  0  0  0
 16 12  2  0  0  0  0
 17  5  1  0  0  0  0
 18 11  1  0  0  0  0
 19 13  1  0  0  0  0
 20 18  1  0  0  0  0
 21 17  2  0  0  0  0
 22 23  1  0  0  0  0
 23 20  1  0  0  0  0
 24 22  1  0  0  0  0
 25 19  2  0  0  0  0
 13  5  2  0  0  0  0
 21 25  1  0  0  0  0
  9 11  2  0  0  0  0
M  END
>  <Mol_ID> (1,831)
1831

>  <Formula> (1,831)
C17H19N5O2S

>  <MolWeight> (1,831)
357.43006

>  <COMPOUND_NAME> (1,831)
WAY-642519

>  <BAR_CODE_NO> (1,831)
90477079

$$$$
WAY-332895
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -3.7208    1.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7208    2.4458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0125    1.2125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3000    1.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0125    2.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3000    2.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5875    1.2125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4333    2.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1625    0.3750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4375    1.2083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0125    3.6875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708    1.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5875    0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1458    2.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4333    3.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542   -0.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8750   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1583    1.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8583    2.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1458    4.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8583    3.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5500   -0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5667    4.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1625   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2625   -2.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1708   -2.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417   -2.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  2  0  0  0  0
  7  4  1  0  0  0  0
  8  2  1  0  0  0  0
  9 17  1  0  0  0  0
 10  1  2  0  0  0  0
 11  5  2  0  0  0  0
 12  7  1  0  0  0  0
 13  7  1  0  0  0  0
 14  8  2  0  0  0  0
 15  8  1  0  0  0  0
 16  9  1  0  0  0  0
 17 13  1  0  0  0  0
 18 12  1  0  0  0  0
 19 14  1  0  0  0  0
 20 15  2  0  0  0  0
 21 20  1  0  0  0  0
 22 16  1  0  0  0  0
 23 21  1  0  0  0  0
 24 22  2  0  0  0  0
 25 22  1  0  0  0  0
 26 25  2  0  0  0  0
 27 24  1  0  0  0  0
 28 26  1  0  0  0  0
  5  6  1  0  0  0  0
  9 18  1  0  0  0  0
 21 19  2  0  0  0  0
 28 27  2  0  0  0  0
M  END
>  <Mol_ID> (1,832)
1832

>  <Formula> (1,832)
C22H24N4O2

>  <MolWeight> (1,832)
376.45156

>  <COMPOUND_NAME> (1,832)
WAY-332895

>  <BAR_CODE_NO> (1,832)
307896

$$$$
WAY-332897
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -3.7208    1.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7208    2.4458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0125    1.2125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3000    1.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0125    2.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3000    2.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5875    1.2125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1583    0.3958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4375    1.2083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833    1.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4333    2.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0125    3.6875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833   -0.0292    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.1708    1.2125    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -5.1458    2.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4333    3.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8750   -0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417    1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1458    4.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8583    2.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8583    3.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  2  0  0  0  0
  7  4  1  0  0  0  0
  8 14  1  0  0  0  0
  9  1  2  0  0  0  0
 10  7  1  0  0  0  0
 11  7  1  0  0  0  0
 12  2  1  0  0  0  0
 13  5  2  0  0  0  0
 14 11  1  0  0  0  0
 15 10  1  0  0  0  0
 16 12  2  0  0  0  0
 17 12  1  0  0  0  0
 18 14  1  0  0  0  0
 19 15  1  0  0  0  0
 20 17  2  0  0  0  0
 21 16  1  0  0  0  0
 22 20  1  0  0  0  0
  5  6  1  0  0  0  0
  8 15  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,833)
1833

>  <Formula> (1,833)
C16H19N3O3

>  <MolWeight> (1,833)
301.34036

>  <COMPOUND_NAME> (1,833)
WAY-332897

>  <BAR_CODE_NO> (1,833)
307898

$$$$
WAY-331333
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
    5.5750  -12.3125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8500  -13.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4250  -13.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000  -11.0750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7125  -11.0875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4750  -12.4875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1875  -13.0625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.7250  -14.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4125  -12.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3375  -14.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8375  -12.3125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8000  -13.0208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3500  -11.5875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5625  -14.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5375  -13.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8625  -15.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4250   -9.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4375  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7125  -13.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9500  -13.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6625  -12.2625    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.7250   -8.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8375  -14.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6500  -14.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3125   -8.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4250   -7.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5375  -15.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9500  -15.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6125   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7375   -6.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3250   -6.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  3  2  0  0  0  0
  7  6  1  0  0  0  0
  8  3  1  0  0  0  0
  9  5  1  0  0  0  0
 10  8  2  0  0  0  0
 11  9  1  0  0  0  0
 12  1  2  0  0  0  0
 13  1  2  0  0  0  0
 14  2  2  0  0  0  0
 15 11  1  0  0  0  0
 16 14  1  0  0  0  0
 17  5  1  0  0  0  0
 18 16  2  0  0  0  0
 19  9  2  0  0  0  0
 20 15  1  0  0  0  0
 21 20  1  0  0  0  0
 22 17  1  0  0  0  0
 23 15  2  0  0  0  0
 24 20  2  0  0  0  0
 25 22  2  0  0  0  0
 26 22  1  0  0  0  0
 27 23  1  0  0  0  0
 28 27  2  0  0  0  0
 29 25  1  0  0  0  0
 30 26  2  0  0  0  0
 31 30  1  0  0  0  0
  8 18  1  0  0  0  0
  7 10  1  0  0  0  0
 29 31  2  0  0  0  0
 28 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,834)
1834

>  <Formula> (1,834)
C21H17ClN4O3S2

>  <MolWeight> (1,834)
472.96768

>  <COMPOUND_NAME> (1,834)
WAY-331333

>  <BAR_CODE_NO> (1,834)
306334

$$$$
WAY-330837
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
    9.5875   -7.9000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.2500   -7.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4250   -7.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0875   -7.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7625   -7.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0875   -7.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.8250   -6.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5000   -8.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3500   -8.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6000   -6.7250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5875   -9.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8375   -6.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8375   -8.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5125   -6.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9125   -7.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6625   -8.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6625   -6.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3375   -6.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5750   -7.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000   -7.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8125   -8.9125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3250   -8.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3250   -6.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1625   -6.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1625   -8.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8375   -8.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0875   -9.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2500   -5.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2500   -9.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8125   -6.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  1  0  0  0  0
  4 14  1  0  0  0  0
  5  1  1  0  0  0  0
  6 16  1  0  0  0  0
  7  2  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  2  0  0  0  0
 10  1  2  0  0  0  0
 11  1  2  0  0  0  0
 12  3  1  0  0  0  0
 13  3  1  0  0  0  0
 14 18  2  0  0  0  0
 15  6  1  0  0  0  0
 16 13  1  0  0  0  0
 17 12  1  0  0  0  0
 18  5  1  0  0  0  0
 19 25  1  0  0  0  0
 20 19  1  0  0  0  0
 21  7  2  0  0  0  0
 22 20  2  0  0  0  0
 23 15  2  0  0  0  0
 24 15  1  0  0  0  0
 25 24  2  0  0  0  0
 26 23  1  0  0  0  0
 27  2  1  0  0  0  0
 28  8  1  0  0  0  0
 29  7  1  0  0  0  0
 30 28  1  0  0  0  0
 31 20  1  0  0  0  0
  8  4  2  0  0  0  0
 17  6  1  0  0  0  0
 30 27  1  0  0  0  0
 26 19  2  0  0  0  0
M  END
>  <Mol_ID> (1,835)
1835

>  <Formula> (1,835)
C23H27N3O4S

>  <MolWeight> (1,835)
441.54318

>  <COMPOUND_NAME> (1,835)
WAY-330837

>  <BAR_CODE_NO> (1,835)
305838

$$$$
WAY-616032
csChFnd80/06171916322D

 16 18  0  0  0  0  0  0  0  0999 V2000
    0.5208   -0.2125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5208   -1.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1917    0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5208    1.4375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    1.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1917   -1.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1917    1.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0167   -1.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6042   -2.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -1.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9500    1.4375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083   -0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083    1.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6208    0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6208    1.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5  8  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  2  0  0  0  0
  8  1  1  0  0  0  0
  9  6  1  0  0  0  0
 10  6  1  0  0  0  0
 11  2  2  0  0  0  0
 12  5  2  0  0  0  0
 13  3  1  0  0  0  0
 14  7  1  0  0  0  0
 15 13  2  0  0  0  0
 16 15  1  0  0  0  0
  7  4  1  0  0  0  0
  9 10  1  0  0  0  0
 14 16  2  0  0  0  0
M  END
>  <Mol_ID> (1,836)
1836

>  <Formula> (1,836)
C12H12N2O2

>  <MolWeight> (1,836)
216.23588

>  <COMPOUND_NAME> (1,836)
WAY-616032

>  <BAR_CODE_NO> (1,836)
90450009

$$$$
WAY-332881
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -3.7208    1.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7208    2.4458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0125    1.2125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3000    1.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0125    2.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3000    2.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5875    1.2125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4333    2.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4375    1.2083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0125    3.6875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1583    0.3875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1458    2.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4333    3.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8583    3.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1458    4.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8583    2.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958    0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833    1.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5625    4.0792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833   -0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1708    1.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2667    3.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  2  0  0  0  0
  7  4  1  0  0  0  0
  8  2  1  0  0  0  0
  9  1  2  0  0  0  0
 10  5  2  0  0  0  0
 11 21  1  0  0  0  0
 12  8  2  0  0  0  0
 13  8  1  0  0  0  0
 14 15  1  0  0  0  0
 15 13  2  0  0  0  0
 16 12  1  0  0  0  0
 17  7  1  0  0  0  0
 18  7  1  0  0  0  0
 19 14  1  0  0  0  0
 20 17  1  0  0  0  0
 21 18  1  0  0  0  0
 22 19  1  0  0  0  0
  5  6  1  0  0  0  0
 16 14  2  0  0  0  0
 11 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,837)
1837

>  <Formula> (1,837)
C15H17N3O4

>  <MolWeight> (1,837)
303.31318

>  <COMPOUND_NAME> (1,837)
WAY-332881

>  <BAR_CODE_NO> (1,837)
307882

$$$$
WAY-332865
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -3.7208    2.4458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7208    1.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0125    1.2125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3000    1.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0125    2.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3000    2.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5875    1.2125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1583    0.3833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4333    2.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4375    1.2083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0125    3.6875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5875    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8750    1.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1625    1.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417   -0.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1458    2.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5542    1.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2667    1.2000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1333    1.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8583    2.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5625    2.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8458    1.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1708   -1.2667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2625   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1708   -2.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9667   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9792   -0.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  6  2  0  0  0  0
  5  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7  4  1  0  0  0  0
  8 15  1  0  0  0  0
  9  8  1  0  0  0  0
 10  1  1  0  0  0  0
 11  2  2  0  0  0  0
 12  5  2  0  0  0  0
 13  7  1  0  0  0  0
 14  7  1  0  0  0  0
 15 14  1  0  0  0  0
 16 13  1  0  0  0  0
 17  9  2  0  0  0  0
 18 10  1  0  0  0  0
 19 23  1  0  0  0  0
 20 19  1  0  0  0  0
 21 18  2  0  0  0  0
 22 18  1  0  0  0  0
 23 22  2  0  0  0  0
 24 21  1  0  0  0  0
 25 17  1  0  0  0  0
 26  9  1  0  0  0  0
 27 17  1  0  0  0  0
 28 25  1  0  0  0  0
 29 26  2  0  0  0  0
 30 29  1  0  0  0  0
  4  3  1  0  0  0  0
 24 19  2  0  0  0  0
  8 16  1  0  0  0  0
 30 27  2  0  0  0  0
M  END
>  <Mol_ID> (1,838)
1838

>  <Formula> (1,838)
C22H23FN4O3

>  <MolWeight> (1,838)
410.4414232

>  <COMPOUND_NAME> (1,838)
WAY-332865

>  <BAR_CODE_NO> (1,838)
307866

$$$$
WAY-329543
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    3.6332    1.3969    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4208    2.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8578    2.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6332    4.2232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4208    3.4994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8578    3.4994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9260    4.1867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7035    3.4873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1851    3.6272    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2144    1.3969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2144    4.2029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0642    1.3969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0761    5.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1400    4.6490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7035    2.1005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4406    5.8776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4931    4.2029    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0723    4.2029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2827    3.4994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2144    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2043    5.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  6  2  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  8  1  0  0  0  0
  8 17  1  0  0  0  0
  9  7  1  0  0  0  0
 10  2  2  0  0  0  0
 11  5  2  0  0  0  0
 12  3  2  0  0  0  0
 13  7  2  0  0  0  0
 14  9  1  0  0  0  0
 15  8  2  0  0  0  0
 16 13  1  0  0  0  0
 17 21  1  0  0  0  0
 18 10  1  0  0  0  0
 19 18  2  0  0  0  0
 20  6  1  0  0  0  0
 21 20  1  0  0  0  0
 22 10  1  0  0  0  0
 23 11  1  0  0  0  0
  4  5  1  0  0  0  0
 19 11  1  0  0  0  0
 14 16  2  0  0  0  0
M  END
>  <Mol_ID> (1,839)
1839

>  <Formula> (1,839)
C18H18N2O2S

>  <MolWeight> (1,839)
326.41272

>  <COMPOUND_NAME> (1,839)
WAY-329543

>  <BAR_CODE_NO> (1,839)
304544

$$$$
WAY-329515
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    4.8397    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0549    0.6983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0549    2.1139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8397    2.8101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6224    0.7152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1182    2.7912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6393    2.1139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9030    2.0907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3819    2.2279    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2638    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4177    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2638    4.1836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3208    3.2279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9030    0.6983    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6372    4.4599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4177    2.8101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6942    2.7975    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2089    0.6983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2089    2.1139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2638    2.7975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4726    2.1139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  7  1  0  0  0  0
  5  1  1  0  0  0  0
  6  8  1  0  0  0  0
  7  5  1  0  0  0  0
  8 17  1  0  0  0  0
  9  6  1  0  0  0  0
 10  2  2  0  0  0  0
 11  5  2  0  0  0  0
 12  6  2  0  0  0  0
 13  9  1  0  0  0  0
 14  8  2  0  0  0  0
 15 12  1  0  0  0  0
 16  7  2  0  0  0  0
 17 21  1  0  0  0  0
 18 11  1  0  0  0  0
 19 18  2  0  0  0  0
 20  3  1  0  0  0  0
 21 20  1  0  0  0  0
 22 18  1  0  0  0  0
  4  3  2  0  0  0  0
 19 16  1  0  0  0  0
 13 15  2  0  0  0  0
M  END
>  <Mol_ID> (1,840)
1840

>  <Formula> (1,840)
C17H16N2O2S

>  <MolWeight> (1,840)
312.38614

>  <COMPOUND_NAME> (1,840)
WAY-329515

>  <BAR_CODE_NO> (1,840)
304516

$$$$
WAY-616442
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -0.8958   -0.6958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3875   -0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1375    0.3708    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.6000    0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1167   -0.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3833    0.5083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9042    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8750    2.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9042    1.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292    1.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1500   -1.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2125   -0.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667    1.3875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333    3.0958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9542   -1.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5958   -2.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6583   -3.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2083   -2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8500   -2.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9500    2.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0125    1.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9125   -3.8208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6625    0.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    2.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333    2.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3333    3.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3583   -4.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3125    1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6167   -5.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000    2.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  5  1  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  2  1  0  0  0  0
  8 10  1  0  0  0  0
  9  6  1  0  0  0  0
 10  9  2  0  0  0  0
 11  1  1  0  0  0  0
 12  2  2  0  0  0  0
 13  4  2  0  0  0  0
 14 25  1  0  0  0  0
 15 11  2  0  0  0  0
 16 11  1  0  0  0  0
 17 19  1  0  0  0  0
 18 15  1  0  0  0  0
 19 16  2  0  0  0  0
 20  8  1  0  0  0  0
 21  8  1  0  0  0  0
 22 17  1  0  0  0  0
 23  9  1  0  0  0  0
 24 10  1  0  0  0  0
 25 21  1  0  0  0  0
 26 20  1  0  0  0  0
 27 22  1  0  0  0  0
 28 23  2  0  0  0  0
 29 27  1  0  0  0  0
 30 28  1  0  0  0  0
  3  7  1  0  0  0  0
 18 17  2  0  0  0  0
 24 30  2  0  0  0  0
 26 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,841)
1841

>  <Formula> (1,841)
C23H27N3O4

>  <MolWeight> (1,841)
409.47818

>  <COMPOUND_NAME> (1,841)
WAY-616442

>  <BAR_CODE_NO> (1,841)
90450429

$$$$
WAY-623878
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -0.5458   -0.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0250   -1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458   -1.9667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417   -1.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417   -0.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7042    4.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5375    4.8042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500    5.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8667    4.6667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5292    3.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958    0.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542    3.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6083    0.3250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458   -3.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6083   -2.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4125    2.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3500    3.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000    1.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8500   -1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542    2.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9125   -2.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3083   -4.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000    2.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542    1.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000   -4.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8583   -3.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5625   -5.1042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083   -5.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6 13  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9 10  2  0  0  0  0
 10  6  1  0  0  0  0
 11  1  1  0  0  0  0
 12  3  1  0  0  0  0
 13 18  1  0  0  0  0
 14 11  1  0  0  0  0
 15 11  2  0  0  0  0
 16 12  1  0  0  0  0
 17 12  2  0  0  0  0
 18 26  2  0  0  0  0
 19 25  1  0  0  0  0
 20 14  1  0  0  0  0
 21  2  1  0  0  0  0
 22 20  1  0  0  0  0
 23  4  1  0  0  0  0
 24 28  2  0  0  0  0
 25 22  2  0  0  0  0
 26 22  1  0  0  0  0
 27 16  2  0  0  0  0
 28 17  1  0  0  0  0
 29 24  1  0  0  0  0
 30 29  1  0  0  0  0
  4  3  1  0  0  0  0
 27 24  1  0  0  0  0
 13 19  2  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <Mol_ID> (1,842)
1842

>  <Formula> (1,842)
C22H21N5O3

>  <MolWeight> (1,842)
403.43384

>  <COMPOUND_NAME> (1,842)
WAY-623878

>  <BAR_CODE_NO> (1,842)
90458049

$$$$
WAY-333234
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -6.9792    7.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7000    7.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8458    8.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9792    4.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8458    3.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7000    4.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1250    8.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208    8.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1250    3.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2417    7.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2417    4.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6167    7.3542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8208   11.0917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208   11.0792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7542    8.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7667   11.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4042    3.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6167   12.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9417   12.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542   14.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9417   14.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7917   16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  4  1  0  0  0  0
 10  7  2  0  0  0  0
 11 10  1  0  0  0  0
 12  8  1  0  0  0  0
 13  3  2  0  0  0  0
 14  8  2  0  0  0  0
 15 12  1  0  0  0  0
 16 15  1  0  0  0  0
 17 11  1  0  0  0  0
 18 16  1  0  0  0  0
 19 16  2  0  0  0  0
 20 18  2  0  0  0  0
 21 19  1  0  0  0  0
 22 21  2  0  0  0  0
 11  9  2  0  0  0  0
  2  6  2  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,843)
1843

>  <Formula> (1,843)
C17H15N3O2

>  <MolWeight> (1,843)
293.3199

>  <COMPOUND_NAME> (1,843)
WAY-333234

>  <BAR_CODE_NO> (1,843)
308235

$$$$
WAY-333226
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   10.1625  -14.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0167  -13.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8625  -13.9875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3292  -13.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0042  -16.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8625  -15.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1625  -15.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4750  -14.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7167  -13.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0250  -12.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6167  -13.3417    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.3375  -12.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7167  -15.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5667  -13.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5667  -15.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6250  -12.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7667  -14.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7875  -11.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4625  -11.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7667  -10.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4750  -10.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6250   -9.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  7  1  0  0  0  0
  6  5  2  0  0  0  0
  7  1  2  0  0  0  0
  8  4  1  0  0  0  0
  9  3  1  0  0  0  0
 10  2  2  0  0  0  0
 11  8  1  0  0  0  0
 12  4  2  0  0  0  0
 13  6  1  0  0  0  0
 14  9  2  0  0  0  0
 15 13  2  0  0  0  0
 16 11  1  0  0  0  0
 17 11  1  0  0  0  0
 18 16  2  0  0  0  0
 19 16  1  0  0  0  0
 20 18  1  0  0  0  0
 21 19  2  0  0  0  0
 22 21  1  0  0  0  0
  6  3  1  0  0  0  0
 15 14  1  0  0  0  0
 22 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,844)
1844

>  <Formula> (1,844)
C17H15N3O2

>  <MolWeight> (1,844)
293.3199

>  <COMPOUND_NAME> (1,844)
WAY-333226

>  <BAR_CODE_NO> (1,844)
308227

$$$$
WAY-333224
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    9.0042  -14.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8625  -13.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7042  -13.9875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8542  -16.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6917  -15.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0042  -15.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1667  -13.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3167  -14.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5500  -13.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8625  -12.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4750  -12.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5500  -15.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4625  -13.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1667  -12.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4042  -13.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6417  -11.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4042  -15.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7917  -12.0292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3292  -11.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6417  -10.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9500  -11.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3500  -10.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5000   -9.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  6  1  0  0  0  0
  5  4  2  0  0  0  0
  6  1  2  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9  3  1  0  0  0  0
 10  2  2  0  0  0  0
 11 13  1  0  0  0  0
 12  5  1  0  0  0  0
 13  8  1  0  0  0  0
 14  7  2  0  0  0  0
 15  9  2  0  0  0  0
 16 11  2  0  0  0  0
 17 12  2  0  0  0  0
 18 16  1  0  0  0  0
 19 11  1  0  0  0  0
 20 16  1  0  0  0  0
 21 18  1  0  0  0  0
 22 19  2  0  0  0  0
 23 22  1  0  0  0  0
  5  3  1  0  0  0  0
 17 15  1  0  0  0  0
 20 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,845)
1845

>  <Formula> (1,845)
C17H15N3O3

>  <MolWeight> (1,845)
309.3193

>  <COMPOUND_NAME> (1,845)
WAY-333224

>  <BAR_CODE_NO> (1,845)
308225

$$$$
WAY-333237
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -5.6875    6.0167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1958    5.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9458    7.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6875    3.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9458    2.9708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1958    3.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4167    7.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4167    2.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1500    6.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1500    3.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3125    5.9792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9208    9.0292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208    9.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0667    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1000    8.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1500   13.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3542   10.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8667    9.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4042   12.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8750   11.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1917   15.0292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9042    2.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9375   16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  4  1  0  0  0  0
 10  7  2  0  0  0  0
 11 10  1  0  0  0  0
 12  8  1  0  0  0  0
 13  3  2  0  0  0  0
 14  8  2  0  0  0  0
 15 12  1  0  0  0  0
 16 15  1  0  0  0  0
 17 21  2  0  0  0  0
 18 16  1  0  0  0  0
 19 16  2  0  0  0  0
 20 18  2  0  0  0  0
 21 19  1  0  0  0  0
 22 17  1  0  0  0  0
 23 11  1  0  0  0  0
 24 22  1  0  0  0  0
  9 11  2  0  0  0  0
  6  2  2  0  0  0  0
 20 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,846)
1846

>  <Formula> (1,846)
C18H17N3O3

>  <MolWeight> (1,846)
323.34588

>  <COMPOUND_NAME> (1,846)
WAY-333237

>  <BAR_CODE_NO> (1,846)
308238

$$$$
WAY-641847
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -0.2500    2.0208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083    2.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7333    1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5375    1.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5375    0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2875    3.0583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208    3.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2875    3.8833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083    4.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6417   -3.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3875   -4.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0917   -2.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0500   -0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3125   -0.2667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9375   -4.9042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083   -1.4917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5583    1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3417   -2.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4500   -3.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7042   -2.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500    4.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208   -4.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542   -1.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  2  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  2  0  0  0  0
  7  2  2  0  0  0  0
  8  2  1  0  0  0  0
  9  7  1  0  0  0  0
 10  3  1  0  0  0  0
 11  8  2  0  0  0  0
 12 14  2  0  0  0  0
 13 12  1  0  0  0  0
 14 20  1  0  0  0  0
 15 10  1  0  0  0  0
 16 10  2  0  0  0  0
 17 13  2  0  0  0  0
 18 15  1  0  0  0  0
 19  4  1  0  0  0  0
 20 18  1  0  0  0  0
 21  5  1  0  0  0  0
 22 23  2  0  0  0  0
 23 26  1  0  0  0  0
 24 11  1  0  0  0  0
 25 13  1  0  0  0  0
 26 20  2  0  0  0  0
  6  3  1  0  0  0  0
  9 11  1  0  0  0  0
 22 12  1  0  0  0  0
M  END
>  <Mol_ID> (1,847)
1847

>  <Formula> (1,847)
C20H20N2O4

>  <MolWeight> (1,847)
352.3838

>  <COMPOUND_NAME> (1,847)
WAY-641847

>  <BAR_CODE_NO> (1,847)
90476400

$$$$
WAY-329428
csChFnd80/06171916322D

 22 25  0  0  0  0  0  0  0  0999 V2000
   11.2625  -11.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8292  -10.1667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.2625  -12.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8292  -13.8292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8292   -8.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4042  -12.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6917  -10.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6917  -13.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1042  -11.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4042  -11.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0750  -12.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4292   -7.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2625   -7.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -13.8292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4292   -5.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2417   -5.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.3500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.8292   -4.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6625   -4.7292    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.3875  -10.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3417  -13.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2917  -11.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  1  1  0  0  0  0
  8  3  1  0  0  0  0
  9  7  2  0  0  0  0
 10  2  1  0  0  0  0
 11  9  1  0  0  0  0
 12  5  2  0  0  0  0
 13  5  1  0  0  0  0
 14  6  2  0  0  0  0
 15 12  1  0  0  0  0
 16 13  2  0  0  0  0
 17 12  1  0  0  0  0
 18 16  1  0  0  0  0
 19 16  1  0  0  0  0
 20  9  1  0  0  0  0
 21 11  1  0  0  0  0
 22 20  1  0  0  0  0
 10  6  1  0  0  0  0
  8 11  2  0  0  0  0
 22 21  1  0  0  0  0
 18 15  2  0  0  0  0
M  END
>  <Mol_ID> (1,848)
1848

>  <Formula> (1,848)
C18H15F2NO

>  <MolWeight> (1,848)
299.3146064

>  <COMPOUND_NAME> (1,848)
WAY-329428

>  <BAR_CODE_NO> (1,848)
304429

$$$$
WAY-329447
csChFnd80/06171916322D

 22 25  0  0  0  0  0  0  0  0999 V2000
   11.4792   -8.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9792   -7.5875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.4792  -10.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9792  -11.0792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9792   -5.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5000  -10.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9792   -7.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9792  -11.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4875   -8.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5000   -8.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4542  -10.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5000   -4.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4792   -4.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -11.0792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5000   -3.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4792   -3.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -5.8542    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.9792   -2.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9542   -2.3917    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.8292   -7.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8000  -10.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8000   -9.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  1  1  0  0  0  0
  8  3  1  0  0  0  0
  9  7  2  0  0  0  0
 10  2  1  0  0  0  0
 11  9  1  0  0  0  0
 12  5  2  0  0  0  0
 13  5  1  0  0  0  0
 14  6  2  0  0  0  0
 15 12  1  0  0  0  0
 16 13  2  0  0  0  0
 17 12  1  0  0  0  0
 18 16  1  0  0  0  0
 19 16  1  0  0  0  0
 20  9  1  0  0  0  0
 21 11  1  0  0  0  0
 22 20  1  0  0  0  0
  6 10  1  0  0  0  0
 11  8  2  0  0  0  0
 21 22  1  0  0  0  0
 15 18  2  0  0  0  0
M  END
>  <Mol_ID> (1,849)
1849

>  <Formula> (1,849)
C18H15BrFNO

>  <MolWeight> (1,849)
360.2202032

>  <COMPOUND_NAME> (1,849)
WAY-329447

>  <BAR_CODE_NO> (1,849)
304448

$$$$
WAY-643412
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -0.2250   -2.0542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833   -2.8375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000    3.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583    3.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917    1.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833    4.5417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083   -1.7917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542   -2.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417    1.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000    2.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9875    4.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000    5.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042    1.2583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8625    2.9250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9875    4.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8375   -1.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208   -0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0917   -0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167   -3.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2958   -2.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208   -3.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417   -4.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6458   -4.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333   -4.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  5  1  0  0  0  0
  4  1  1  0  0  0  0
  5 12  1  0  0  0  0
  6 11  1  0  0  0  0
  7  3  1  0  0  0  0
  8  1  2  0  0  0  0
  9  1  2  0  0  0  0
 10  6  1  0  0  0  0
 11 21  1  0  0  0  0
 12 10  1  0  0  0  0
 13  3  2  0  0  0  0
 14  7  1  0  0  0  0
 15  6  2  0  0  0  0
 16  5  2  0  0  0  0
 17 13  1  0  0  0  0
 18  4  2  0  0  0  0
 19  4  1  0  0  0  0
 20 18  1  0  0  0  0
 21 19  2  0  0  0  0
 22  2  1  0  0  0  0
 23  2  1  0  0  0  0
 24 23  1  0  0  0  0
 25 22  1  0  0  0  0
 26 25  1  0  0  0  0
 27 24  1  0  0  0  0
 11 20  2  0  0  0  0
 26 27  1  0  0  0  0
 14 17  2  0  0  0  0
M  END
>  <Mol_ID> (1,850)
1850

>  <Formula> (1,850)
C19H22N2O5S

>  <MolWeight> (1,850)
390.45338

>  <COMPOUND_NAME> (1,850)
WAY-643412

>  <BAR_CODE_NO> (1,850)
90477984

$$$$
WAY-278377
csChFnd80/06171916322D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -2.2500    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9958    1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4125    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5333    0.8708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7500    1.2708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5333    1.6500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1708    1.8125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5125    2.2125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9958    1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8333    1.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5125    0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9958    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333    0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7500    0.4333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8333    1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4125    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7708    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0500    0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2333    2.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4500    0.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6875    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  6  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  2  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7 10  1  0  0  0  0
  8  3  1  0  0  0  0
  9  4  1  0  0  0  0
 10  3  2  0  0  0  0
 11  5  1  0  0  0  0
 12  8  1  0  0  0  0
 13 11  1  0  0  0  0
 14 11  2  0  0  0  0
 15 16  2  0  0  0  0
 16  9  1  0  0  0  0
 17 13  1  0  0  0  0
 18 13  2  0  0  0  0
 19 20  2  0  0  0  0
 20 18  1  0  0  0  0
 21 17  2  0  0  0  0
 22 12  1  0  0  0  0
 23 19  1  0  0  0  0
 24 23  1  0  0  0  0
  9  2  2  0  0  0  0
 15 10  1  0  0  0  0
 12  7  2  0  0  0  0
 21 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,851)
1851

>  <Formula> (1,851)
C17H13N3O2S2

>  <MolWeight> (1,851)
355.43402

>  <COMPOUND_NAME> (1,851)
WAY-278377

>  <BAR_CODE_NO> (1,851)
389032

$$$$
WAY-331446
csChFnd80/06171916322D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -7.4042   10.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1542    7.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5167    5.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1917   12.0667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1417    3.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1667    3.9083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2083   12.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8042    5.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1542    9.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5583    9.2792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1958   10.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9542    2.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1958   14.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9333    2.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7458    0.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2167   16.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708   10.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    1.0458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7833    0.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1625   12.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5792   -1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1750   14.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833   -1.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208    2.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  9  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  2  0  0  0  0
  5  3  1  0  0  0  0
  6  8  1  0  0  0  0
  7  4  1  0  0  0  0
  8  2  2  0  0  0  0
  9  1  1  0  0  0  0
 10  1  1  0  0  0  0
 11 10  1  0  0  0  0
 12  5  1  0  0  0  0
 13  7  1  0  0  0  0
 14 12  1  0  0  0  0
 15 14  2  0  0  0  0
 16 13  1  0  0  0  0
 17 11  1  0  0  0  0
 18 15  1  0  0  0  0
 19 12  2  0  0  0  0
 20 17  2  0  0  0  0
 21 19  1  0  0  0  0
 22 13  2  0  0  0  0
 23 21  2  0  0  0  0
 24 18  1  0  0  0  0
  7 11  2  0  0  0  0
  5  6  2  0  0  0  0
 20 22  1  0  0  0  0
 23 15  1  0  0  0  0
M  END
>  <Mol_ID> (1,852)
1852

>  <Formula> (1,852)
C16H11FN4O2S

>  <MolWeight> (1,852)
342.3475432

>  <COMPOUND_NAME> (1,852)
WAY-331446

>  <BAR_CODE_NO> (1,852)
306447

$$$$
WAY-329093
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
    0.4417  -10.1042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000  -10.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6167   -8.4292    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.2583   -8.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1167   -9.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6458   -7.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083  -10.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833   -5.6542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3417  -12.4167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2375   -7.8417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1208   -0.1125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000   -2.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458   -4.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083  -12.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0792   -6.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7875   -9.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4500   -1.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5125    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042   -2.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542  -13.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4625  -13.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7542   -6.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7375   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6250   -8.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542  -15.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4625  -15.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8  6  1  0  0  0  0
  9  2  2  0  0  0  0
 10  6  2  0  0  0  0
 11 17  2  0  0  0  0
 12 13  1  0  0  0  0
 13  8  1  0  0  0  0
 14  7  1  0  0  0  0
 15  4  1  0  0  0  0
 16  5  1  0  0  0  0
 17 12  1  0  0  0  0
 18 23  2  0  0  0  0
 19 12  2  0  0  0  0
 20 14  1  0  0  0  0
 21 14  2  0  0  0  0
 22 15  2  0  0  0  0
 23 19  1  0  0  0  0
 24 16  2  0  0  0  0
 25 20  2  0  0  0  0
 26 21  1  0  0  0  0
 27 26  2  0  0  0  0
  5  4  2  0  0  0  0
 22 24  1  0  0  0  0
 27 25  1  0  0  0  0
 11 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,853)
1853

>  <Formula> (1,853)
C22H19N3O2

>  <MolWeight> (1,853)
357.40516

>  <COMPOUND_NAME> (1,853)
WAY-329093

>  <BAR_CODE_NO> (1,853)
304094

$$$$
WAY-329094
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
    0.2042   -9.1167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6167   -9.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750   -7.6042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.8667   -7.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6250   -8.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583   -6.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083   -9.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458   -5.0792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9500  -11.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2208   -7.0667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1083   -0.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2833   -2.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958   -4.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083  -11.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6042   -5.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833  -14.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1500   -8.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1792  -12.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4333  -12.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1625  -13.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4625  -13.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4208   -1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1792   -2.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1167   -5.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9042   -7.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8  6  1  0  0  0  0
  9  2  2  0  0  0  0
 10  6  2  0  0  0  0
 11 22  2  0  0  0  0
 12 13  1  0  0  0  0
 13  8  1  0  0  0  0
 14  7  1  0  0  0  0
 15  4  1  0  0  0  0
 16 21  2  0  0  0  0
 17  5  1  0  0  0  0
 18 14  1  0  0  0  0
 19 14  2  0  0  0  0
 20 18  2  0  0  0  0
 21 19  1  0  0  0  0
 22 12  1  0  0  0  0
 23 27  2  0  0  0  0
 24 12  2  0  0  0  0
 25 16  1  0  0  0  0
 26 15  2  0  0  0  0
 27 24  1  0  0  0  0
 28 17  2  0  0  0  0
  5  4  2  0  0  0  0
 16 20  1  0  0  0  0
 26 28  1  0  0  0  0
 11 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,854)
1854

>  <Formula> (1,854)
C23H21N3O2

>  <MolWeight> (1,854)
371.43174

>  <COMPOUND_NAME> (1,854)
WAY-329094

>  <BAR_CODE_NO> (1,854)
304095

$$$$
WAY-329096
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
    6.1000   -7.1167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9292   -7.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3042   -5.1542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.2500   -4.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2500   -6.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3875   -8.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8375   -3.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3875  -10.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7000  -11.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500   -1.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7000  -13.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3500   -9.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9500   -4.4375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1000    4.6375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1167  -11.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3875  -14.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1500    1.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7542   -0.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667  -10.0542    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.1875   -3.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1167  -13.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3875  -16.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.2167   -6.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7000    2.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9875    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0542    1.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1667   -2.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4542    3.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1875   -4.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  7  1  0  0  0  0
 11  9  2  0  0  0  0
 12  2  2  0  0  0  0
 13  7  2  0  0  0  0
 14 24  2  0  0  0  0
 15  8  2  0  0  0  0
 16 21  2  0  0  0  0
 17 18  1  0  0  0  0
 18 10  1  0  0  0  0
 19  9  1  0  0  0  0
 20  4  1  0  0  0  0
 21 15  1  0  0  0  0
 22 16  1  0  0  0  0
 23  5  1  0  0  0  0
 24 17  1  0  0  0  0
 25 28  2  0  0  0  0
 26 17  2  0  0  0  0
 27 20  2  0  0  0  0
 28 26  1  0  0  0  0
 29 23  2  0  0  0  0
  4  5  2  0  0  0  0
 29 27  1  0  0  0  0
 16 11  1  0  0  0  0
 25 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,855)
1855

>  <Formula> (1,855)
C22H17ClFN3O2

>  <MolWeight> (1,855)
409.8406832

>  <COMPOUND_NAME> (1,855)
WAY-329096

>  <BAR_CODE_NO> (1,855)
304097

$$$$
WAY-329101
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -0.1333   -7.9542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0917   -8.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0125   -6.6250    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.3125   -6.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9792   -7.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9875   -5.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2833   -8.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7083   -4.4042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3917   -9.7917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2708   -6.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708   -0.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4458   -2.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7083   -3.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2833   -9.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208  -12.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9667   -5.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3292   -7.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333  -10.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4500  -10.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1500  -11.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4625  -11.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4333   -1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208  -13.9792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8875    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1708   -1.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1708  -14.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2917   -5.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1125   -0.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9792   -6.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8  6  1  0  0  0  0
  9  2  2  0  0  0  0
 10  6  2  0  0  0  0
 11 22  2  0  0  0  0
 12 13  1  0  0  0  0
 13  8  1  0  0  0  0
 14  7  1  0  0  0  0
 15 21  1  0  0  0  0
 16  4  1  0  0  0  0
 17  5  1  0  0  0  0
 18 14  2  0  0  0  0
 19 14  1  0  0  0  0
 20 18  1  0  0  0  0
 21 19  2  0  0  0  0
 22 12  1  0  0  0  0
 23 15  1  0  0  0  0
 24 28  2  0  0  0  0
 25 12  2  0  0  0  0
 26 23  1  0  0  0  0
 27 16  2  0  0  0  0
 28 25  1  0  0  0  0
 29 17  2  0  0  0  0
 30 26  1  0  0  0  0
  5  4  2  0  0  0  0
 20 15  2  0  0  0  0
 27 29  1  0  0  0  0
 11 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,856)
1856

>  <Formula> (1,856)
C24H23N3O3

>  <MolWeight> (1,856)
401.45772

>  <COMPOUND_NAME> (1,856)
WAY-329101

>  <BAR_CODE_NO> (1,856)
304102

$$$$
WAY-329099
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
    3.3292  -10.0917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8875  -10.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5042   -8.4292    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1500   -8.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0042   -9.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8792  -10.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8792  -12.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2583   -7.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6042   -5.6542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500  -12.4167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417  -13.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3292  -13.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542   -7.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667   -0.1125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4250  -15.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6875   -2.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3417   -4.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3125  -15.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9667   -6.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8500  -15.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6750   -9.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083  -12.5667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417   -1.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7375  -16.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2917   -2.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4625  -13.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2000  -15.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6417   -6.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6417   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4917   -8.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  3  1  0  0  0  0
  9  8  1  0  0  0  0
 10  2  2  0  0  0  0
 11  7  1  0  0  0  0
 12  7  2  0  0  0  0
 13  8  2  0  0  0  0
 14 23  2  0  0  0  0
 15 11  2  0  0  0  0
 16 17  1  0  0  0  0
 17  9  1  0  0  0  0
 18 12  1  0  0  0  0
 19  4  1  0  0  0  0
 20 18  2  0  0  0  0
 21  5  1  0  0  0  0
 22 11  1  0  0  0  0
 23 16  1  0  0  0  0
 24 18  1  0  0  0  0
 25 30  2  0  0  0  0
 26 16  2  0  0  0  0
 27 22  1  0  0  0  0
 28 24  1  0  0  0  0
 29 19  2  0  0  0  0
 30 26  1  0  0  0  0
 31 21  2  0  0  0  0
  5  4  2  0  0  0  0
 29 31  1  0  0  0  0
 20 15  1  0  0  0  0
 25 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,857)
1857

>  <Formula> (1,857)
C24H23N3O4

>  <MolWeight> (1,857)
417.45712

>  <COMPOUND_NAME> (1,857)
WAY-329099

>  <BAR_CODE_NO> (1,857)
304100

$$$$
WAY-278759
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.8757    0.0212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8757    0.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0278   -0.2581    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7067   -0.4581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0278    1.2798    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7067    1.4695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5795    0.5177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5446    0.0212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5446    0.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5278    0.5212    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3826   -0.4581    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0174   -0.3029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2205   -0.9305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8722    0.3798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8964   -1.2961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9795   -0.3029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5278   -1.1305    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4795    0.4798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5761   -1.0581    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4174    0.2591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4657   -0.7202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  6  9  2  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
 11 15  2  0  0  0  0
 12 16  1  0  0  0  0
 12 17  2  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
  5  7  2  0  0  0  0
  8  9  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (1,858)
1858

>  <Formula> (1,858)
C13H10N2O4S2

>  <MolWeight> (1,858)
322.3595

>  <COMPOUND_NAME> (1,858)
WAY-278759

>  <BAR_CODE_NO> (1,858)
389414

$$$$
WAY-331458
csChFnd80/06171916322D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -8.3000   11.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2667    7.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4292    6.5625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0625   13.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1292    4.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4042    4.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1042    6.5625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2667   10.1417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2292   10.3667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7333   12.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8458   13.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4333   12.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7917    2.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6958   16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5083    2.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7042    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3083   13.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1083   -1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4375   15.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3583   -1.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1750    0.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7958   -2.9417    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.9417   13.9917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000   12.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  8  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  2  0  0  0  0
  5  3  1  0  0  0  0
  6  7  1  0  0  0  0
  7  2  2  0  0  0  0
  8  1  1  0  0  0  0
  9  1  1  0  0  0  0
 10  9  1  0  0  0  0
 11  4  1  0  0  0  0
 12 10  1  0  0  0  0
 13  5  1  0  0  0  0
 14 11  1  0  0  0  0
 15 13  1  0  0  0  0
 16 13  2  0  0  0  0
 17 12  2  0  0  0  0
 18 20  2  0  0  0  0
 19 14  2  0  0  0  0
 20 16  1  0  0  0  0
 21 15  2  0  0  0  0
 22 18  1  0  0  0  0
 23 17  1  0  0  0  0
 24 23  1  0  0  0  0
 10 11  2  0  0  0  0
  5  6  2  0  0  0  0
 17 19  1  0  0  0  0
 18 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,859)
1859

>  <Formula> (1,859)
C16H11ClN4O2S

>  <MolWeight> (1,859)
358.80214

>  <COMPOUND_NAME> (1,859)
WAY-331458

>  <BAR_CODE_NO> (1,859)
306459

$$$$
WAY-331455
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -8.3000   11.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1292    4.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4292    6.5625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2667    7.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4042    4.3667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0625   13.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1042    6.5292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2667   10.1417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2292   10.3667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7625    2.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7333   12.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8458   13.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4333   12.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5000    2.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6958   16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3083   13.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4375   15.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6750    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5792    4.8917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9417   13.9917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1625    0.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3333    5.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000   12.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3417   -1.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1000   -1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  8  1  0  0  0  0
  5  7  1  0  0  0  0
  6  1  2  0  0  0  0
  7  4  2  0  0  0  0
  8  1  1  0  0  0  0
  9  1  1  0  0  0  0
 10  2  1  0  0  0  0
 11  9  1  0  0  0  0
 12  6  1  0  0  0  0
 13 11  1  0  0  0  0
 14 10  1  0  0  0  0
 15 12  1  0  0  0  0
 16 13  2  0  0  0  0
 17 15  2  0  0  0  0
 18 10  2  0  0  0  0
 19 14  1  0  0  0  0
 20 16  1  0  0  0  0
 21 14  2  0  0  0  0
 22 19  1  0  0  0  0
 23 20  1  0  0  0  0
 24 18  1  0  0  0  0
 25 24  2  0  0  0  0
 11 12  2  0  0  0  0
  2  5  2  0  0  0  0
 16 17  1  0  0  0  0
 25 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,860)
1860

>  <Formula> (1,860)
C17H14N4O3S

>  <MolWeight> (1,860)
354.38306

>  <COMPOUND_NAME> (1,860)
WAY-331455

>  <BAR_CODE_NO> (1,860)
306456

$$$$
WAY-329087
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
    6.0500   -9.4792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7542  -10.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2500   -7.6292    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.0667   -7.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0042   -8.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8542   -6.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4417  -10.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1667  -12.0417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0792   -6.9667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500   -4.5542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4417  -12.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9542   -5.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8625   -8.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8542   -3.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6875   -2.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0792   -3.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0500  -13.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8375  -13.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792   -0.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0875   -3.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8042   -5.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7792   -7.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4625   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0500  -15.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8375  -15.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0875   -0.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4417  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  2  0  0  0  0
  9  6  2  0  0  0  0
 10  6  1  0  0  0  0
 11  7  1  0  0  0  0
 12  4  1  0  0  0  0
 13  5  1  0  0  0  0
 14 10  1  0  0  0  0
 15 16  1  0  0  0  0
 16 14  1  0  0  0  0
 17 11  1  0  0  0  0
 18 11  2  0  0  0  0
 19 15  2  0  0  0  0
 20 15  1  0  0  0  0
 21 12  2  0  0  0  0
 22 13  2  0  0  0  0
 23 20  2  0  0  0  0
 24 19  1  0  0  0  0
 25 17  2  0  0  0  0
 26 18  1  0  0  0  0
 27 23  1  0  0  0  0
 28 26  2  0  0  0  0
  5  4  2  0  0  0  0
 21 22  1  0  0  0  0
 28 25  1  0  0  0  0
 27 24  2  0  0  0  0
M  END
>  <Mol_ID> (1,861)
1861

>  <Formula> (1,861)
C24H22N2O2

>  <MolWeight> (1,861)
370.44368

>  <COMPOUND_NAME> (1,861)
WAY-329087

>  <BAR_CODE_NO> (1,861)
304088

$$$$
WAY-329090
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
    9.4667   -6.5375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4000   -7.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6917   -4.4542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.7292   -3.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7792   -5.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6417   -7.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6417   -9.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1000   -3.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8250  -10.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8250  -12.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8250   -9.4375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0917   -3.6917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4667  -10.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5292   -0.9625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6417  -13.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9917   -9.6917    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.7500   -2.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4667  -12.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6417  -16.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.8792   -5.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9542    0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3750    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9667   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8292    3.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8500   -2.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9250   -3.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833    1.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542    4.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292    3.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  3  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  2  0  0  0  0
 11  2  2  0  0  0  0
 12  8  2  0  0  0  0
 13  7  2  0  0  0  0
 14  8  1  0  0  0  0
 15 18  2  0  0  0  0
 16  9  1  0  0  0  0
 17  4  1  0  0  0  0
 18 13  1  0  0  0  0
 19 15  1  0  0  0  0
 20  5  1  0  0  0  0
 21 14  1  0  0  0  0
 22 23  1  0  0  0  0
 23 21  1  0  0  0  0
 24 22  2  0  0  0  0
 25 22  1  0  0  0  0
 26 17  2  0  0  0  0
 27 20  2  0  0  0  0
 28 25  2  0  0  0  0
 29 24  1  0  0  0  0
 30 28  1  0  0  0  0
  4  5  2  0  0  0  0
 27 26  1  0  0  0  0
 15 10  1  0  0  0  0
 30 29  2  0  0  0  0
M  END
>  <Mol_ID> (1,862)
1862

>  <Formula> (1,862)
C24H20ClFN2O2

>  <MolWeight> (1,862)
422.8792032

>  <COMPOUND_NAME> (1,862)
WAY-329090

>  <BAR_CODE_NO> (1,862)
304091

$$$$
WAY-330093
csChFnd80/06171916322D

 33 37  0  0  0  0  0  0  0  0999 V2000
   10.6542    3.7333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8750    0.6250    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.8875    4.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6542    1.6250    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.0750    1.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0875    3.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8542   -4.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9500   -5.8375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3167    0.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3375    4.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4250    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4542    4.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5125    1.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5125    3.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1375   -8.0750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8875    6.8292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6542   -5.7667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2500    1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0500   -4.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9500   -8.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2500    3.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1417   -5.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0375   -9.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7125    4.7917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7125    0.6250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4167   -1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   -9.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000    0.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0958    3.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7125   -1.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958   -8.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1917   -2.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9875   -1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  5  1  0  0  0  0
 10  6  1  0  0  0  0
 11  4  1  0  0  0  0
 12  1  1  0  0  0  0
 13  9  2  0  0  0  0
 14 10  2  0  0  0  0
 15 23  1  0  0  0  0
 16  3  2  0  0  0  0
 17  7  2  0  0  0  0
 18 21  1  0  0  0  0
 19  8  1  0  0  0  0
 20  8  1  0  0  0  0
 21 12  1  0  0  0  0
 22 19  1  0  0  0  0
 23 20  1  0  0  0  0
 24 14  1  0  0  0  0
 25 13  1  0  0  0  0
 26 11  1  0  0  0  0
 27 15  1  0  0  0  0
 28 18  1  0  0  0  0
 29 24  1  0  0  0  0
 30 25  1  0  0  0  0
 31 27  1  0  0  0  0
 32 26  2  0  0  0  0
 33 28  2  0  0  0  0
  6  5  2  0  0  0  0
 11 18  2  0  0  0  0
 14 13  1  0  0  0  0
 32 33  1  0  0  0  0
 22 15  1  0  0  0  0
M  END
>  <Mol_ID> (1,863)
1863

>  <Formula> (1,863)
C26H31N3O4

>  <MolWeight> (1,863)
449.54204

>  <COMPOUND_NAME> (1,863)
WAY-330093

>  <BAR_CODE_NO> (1,863)
305094

$$$$
WAY-331481
csChFnd80/06171916322D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -4.2490    0.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3830    0.9118    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5169    0.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5169   -0.5882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6509   -1.0882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7849   -0.5882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1613   -0.8929    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7449   -0.0882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1613    0.7165    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7849    0.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6509    0.9118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7449   -0.0882    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2449   -0.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2449   -0.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7449   -0.0882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2449    0.7778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2449    0.7778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  2  0  0  0  0
  3 11  1  0  0  0  0
  8 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 12 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,864)
1864

>  <Formula> (1,864)
C12H14N2O2S

>  <MolWeight> (1,864)
250.31676

>  <COMPOUND_NAME> (1,864)
WAY-331481

>  <BAR_CODE_NO> (1,864)
306482

$$$$
WAY-278800
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -1.1833   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7500    0.2708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3500   -0.1167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333   -0.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833    0.0333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1625   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167   -0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8833   -1.9000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1625   -1.1667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2500   -1.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4208   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458    1.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0125    1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4708    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8875    0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2000   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8875   -0.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5792    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0792    0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  2  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  5  1  0  0  0  0
  8  2  1  0  0  0  0
  9 11  1  0  0  0  0
 10  7  2  0  0  0  0
 11  4  1  0  0  0  0
 12  7  1  0  0  0  0
 13  6  1  0  0  0  0
 14  8  1  0  0  0  0
 15  8  1  0  0  0  0
 16  8  1  0  0  0  0
 17 12  2  0  0  0  0
 18 12  1  0  0  0  0
 19 18  2  0  0  0  0
 20 17  1  0  0  0  0
 21 19  1  0  0  0  0
  6  3  2  0  0  0  0
 13  9  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (1,865)
1865

>  <Formula> (1,865)
C16H19N3OS

>  <MolWeight> (1,865)
301.40656

>  <COMPOUND_NAME> (1,865)
WAY-278800

>  <BAR_CODE_NO> (1,865)
389455

$$$$
WAY-278573
csChFnd80/06171916322D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -0.3370   -1.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3370   -0.4167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5285   -1.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2025   -1.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3370    0.5833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3370   -0.4167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6630   -0.4167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5285   -2.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2025   -2.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5285    1.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3370   -3.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5285    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3370   -4.4167    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3370    2.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3975    2.5833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3370    3.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3975    3.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5285    4.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
  9 11  2  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (1,866)
1866

>  <Formula> (1,866)
C12H11FN2O2S

>  <MolWeight> (1,866)
266.2913432

>  <COMPOUND_NAME> (1,866)
WAY-278573

>  <BAR_CODE_NO> (1,866)
389228

$$$$
WAY-331478
csChFnd80/06171916322D

 16 18  0  0  0  0  0  0  0  0999 V2000
   -7.4042   10.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1917   12.0667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5583    9.2792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2083   12.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1542    9.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1958   10.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1958   14.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2167   16.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9167   10.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1333    7.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708   10.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1625   12.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1750   14.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9417    6.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6542    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6750    7.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8  7  1  0  0  0  0
  9  5  1  0  0  0  0
 10  5  1  0  0  0  0
 11  6  1  0  0  0  0
 12 11  2  0  0  0  0
 13  7  2  0  0  0  0
 14 10  1  0  0  0  0
 15  9  1  0  0  0  0
 16 14  1  0  0  0  0
  6  4  2  0  0  0  0
 16 15  1  0  0  0  0
 13 12  1  0  0  0  0
M  END
>  <Mol_ID> (1,867)
1867

>  <Formula> (1,867)
C12H13FN2S

>  <MolWeight> (1,867)
236.3084232

>  <COMPOUND_NAME> (1,867)
WAY-331478

>  <BAR_CODE_NO> (1,867)
306479

$$$$
WAY-278485
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.0042    1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708    1.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4875    1.5125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708    1.9125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1875    1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7292    1.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4042    0.7125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7333    1.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8667    0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7333    1.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5042    1.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9500    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4875    0.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1333    1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500    0.4708    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.1333    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5333    1.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5333    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1333    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  6  1  0  0  0  0
  6  3  1  0  0  0  0
  7  5  1  0  0  0  0
  8  2  1  0  0  0  0
  9  7  1  0  0  0  0
 10  4  1  0  0  0  0
 11  5  2  0  0  0  0
 12 11  1  0  0  0  0
 13  6  2  0  0  0  0
 14  8  1  0  0  0  0
 15  9  1  0  0  0  0
 16 10  1  0  0  0  0
 17 16  2  0  0  0  0
 18 14  2  0  0  0  0
 19 14  1  0  0  0  0
 10  8  2  0  0  0  0
 17 18  1  0  0  0  0
 12  9  2  0  0  0  0
M  END
>  <Mol_ID> (1,868)
1868

>  <Formula> (1,868)
C13H9ClN2OS2

>  <MolWeight> (1,868)
308.80636

>  <COMPOUND_NAME> (1,868)
WAY-278485

>  <BAR_CODE_NO> (1,868)
389139

$$$$
WAY-623578
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -0.1208    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208   -0.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208   -1.7542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6000    1.1333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8333   -0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8333   -1.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6000   -1.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6000   -0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8333    1.1333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0292    1.9583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3125   -1.7542    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.6000    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3125    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458   -0.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458   -1.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0292    1.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3125    2.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2583   -0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2583   -1.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  7  2  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  5  2  0  0  0  0
  7  8  1  0  0  0  0
  8  2  2  0  0  0  0
  9  1  2  0  0  0  0
 10 16  1  0  0  0  0
 11  7  1  0  0  0  0
 12  4  1  0  0  0  0
 13  4  1  0  0  0  0
 14  5  1  0  0  0  0
 15  6  1  0  0  0  0
 16 13  1  0  0  0  0
 17 12  1  0  0  0  0
 18 14  2  0  0  0  0
 19 18  1  0  0  0  0
 10 17  1  0  0  0  0
  3  6  1  0  0  0  0
 19 15  2  0  0  0  0
M  END
>  <Mol_ID> (1,869)
1869

>  <Formula> (1,869)
C14H13ClN2O2

>  <MolWeight> (1,869)
276.71822

>  <COMPOUND_NAME> (1,869)
WAY-623578

>  <BAR_CODE_NO> (1,869)
90457747

$$$$
WAY-278470
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
    3.2484    0.9168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3277    0.1755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4553    1.0824    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8967    1.4203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6277   -0.1728    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0691   -0.1797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0691    0.4203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6346    1.0824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7173    0.2755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2691    0.4203    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8691   -0.2797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0863   -0.2797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2863   -0.9797    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3033   -0.9797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3033    0.4203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0930   -0.9797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1137    0.4203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5137   -0.2797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2930   -0.2797    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1033   -0.2797    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2930   -1.0728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2930    0.5272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4930    0.4203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4930   -0.9797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2827    0.4203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3102   -0.9797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6689   -0.2797    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  6  9  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 19 22  2  0  0  0  0
 20 23  1  0  0  0  0
 20 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
  5  7  1  0  0  0  0
  8  9  1  0  0  0  0
 17 18  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (1,870)
1870

>  <Formula> (1,870)
C18H17N3O4S2

>  <MolWeight> (1,870)
403.47528

>  <COMPOUND_NAME> (1,870)
WAY-278470

>  <BAR_CODE_NO> (1,870)
389124

$$$$
WAY-624511
csChFnd80/06171916322D

 32 37  0  0  0  0  0  0  0  0999 V2000
    0.6375    2.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8917    3.0458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1917    1.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667   -1.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6125   -1.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542   -2.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1708    2.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3417    3.6583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667   -2.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6125   -2.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292    0.8625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4250   -0.7042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4708    3.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208    2.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9917    1.8208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4875    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292    0.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1250   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2292   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208    4.0917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3333   -1.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4750   -2.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4250    1.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3333   -2.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042   -3.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5333    2.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8125   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0458   -1.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2333    1.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0458   -2.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3250   -3.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833    1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4 12  1  0  0  0  0
  5  4  1  0  0  0  0
  6  4  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  6  2  0  0  0  0
 10  5  2  0  0  0  0
 11  3  1  0  0  0  0
 12 18  1  0  0  0  0
 13 14  1  0  0  0  0
 14  7  2  0  0  0  0
 15  3  2  0  0  0  0
 16 11  1  0  0  0  0
 17 11  1  0  0  0  0
 18 17  1  0  0  0  0
 19 16  1  0  0  0  0
 20 13  2  0  0  0  0
 21  5  1  0  0  0  0
 22  6  1  0  0  0  0
 23  7  1  0  0  0  0
 24 10  1  0  0  0  0
 25  9  1  0  0  0  0
 26 14  1  0  0  0  0
 27 22  2  0  0  0  0
 28 21  2  0  0  0  0
 29 23  2  0  0  0  0
 30 28  1  0  0  0  0
 31 27  1  0  0  0  0
 32 29  1  0  0  0  0
 13  8  1  0  0  0  0
 32 26  2  0  0  0  0
 12 19  1  0  0  0  0
  9 10  1  0  0  0  0
 31 25  2  0  0  0  0
 30 24  2  0  0  0  0
M  END
>  <Mol_ID> (1,871)
1871

>  <Formula> (1,871)
C26H22N4O2

>  <MolWeight> (1,871)
422.47848

>  <COMPOUND_NAME> (1,871)
WAY-624511

>  <BAR_CODE_NO> (1,871)
90458687

$$$$
WAY-331469
csChFnd80/06171916322D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -6.6583    9.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4708   10.8625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0083    8.3500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6833   11.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2417    8.1417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7708    9.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7833   12.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4042    6.3917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7083   14.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2208    6.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8208    9.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9500    9.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0375   11.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9583   12.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3833    8.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8458    5.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7833   16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8 15  1  0  0  0  0
  9  7  1  0  0  0  0
 10  5  1  0  0  0  0
 11  5  1  0  0  0  0
 12  6  1  0  0  0  0
 13 12  2  0  0  0  0
 14  7  2  0  0  0  0
 15 11  1  0  0  0  0
 16 10  1  0  0  0  0
 17  9  1  0  0  0  0
  6  4  2  0  0  0  0
  8 16  1  0  0  0  0
 14 13  1  0  0  0  0
M  END
>  <Mol_ID> (1,872)
1872

>  <Formula> (1,872)
C12H14N2O2S

>  <MolWeight> (1,872)
250.31676

>  <COMPOUND_NAME> (1,872)
WAY-331469

>  <BAR_CODE_NO> (1,872)
306470

$$$$
WAY-663377
csChFnd80/06171916322D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -0.6083   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042   -0.4292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083    0.8083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042   -1.2542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.8167   -1.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3250   -0.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167   -2.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5292   -1.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500   -2.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3250    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500   -1.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5292   -2.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9625   -2.9042    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.3250    2.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083   -1.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0375    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083    3.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0375    3.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3250    3.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  1  2  0  0  0  0
  7  5  1  0  0  0  0
  8  5  2  0  0  0  0
  9 11  2  0  0  0  0
 10  3  1  0  0  0  0
 11  8  1  0  0  0  0
 12  7  2  0  0  0  0
 13  9  1  0  0  0  0
 14 10  1  0  0  0  0
 15  4  1  0  0  0  0
 16 14  2  0  0  0  0
 17 14  1  0  0  0  0
 18 17  2  0  0  0  0
 19 16  1  0  0  0  0
 20 18  1  0  0  0  0
  9 12  1  0  0  0  0
 20 19  2  0  0  0  0
M  END
>  <Mol_ID> (1,873)
1873

>  <Formula> (1,873)
C16H17ClN2O

>  <MolWeight> (1,873)
288.77198

>  <COMPOUND_NAME> (1,873)
WAY-663377

>  <BAR_CODE_NO> (1,873)
90498124

$$$$
WAY-624936
csChFnd80/06171916322D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -0.4083   -0.4292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000   -1.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8208    0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167   -0.4292    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.6458    0.3708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6875   -0.8417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6417   -1.8792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000    0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6875   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833    1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8125    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1000    1.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  2  2  0  0  0  0
  8  4  1  0  0  0  0
  9  8  1  0  0  0  0
 10  3  1  0  0  0  0
 11  5  1  0  0  0  0
 12 10  1  0  0  0  0
  9  6  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (1,874)
1874

>  <Formula> (1,874)
C8H12N2O2

>  <MolWeight> (1,874)
168.19308

>  <COMPOUND_NAME> (1,874)
WAY-624936

>  <BAR_CODE_NO> (1,874)
90459116

$$$$
WAY-624734
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
    0.8792   -3.0292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792   -2.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792   -3.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5542   -4.3417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792   -0.5542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542   -3.0292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7042   -3.0292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000   -1.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667   -1.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2583    3.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167   -4.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917   -5.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458    1.9208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458    2.7458    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.4667   -5.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2583    3.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667   -0.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000   -0.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667    0.6833    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.1667    1.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458    0.2708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667    3.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9750    2.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458    4.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667    3.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9750    4.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6875    3.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6875    3.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5 17  1  0  0  0  0
  6  1  2  0  0  0  0
  7  1  2  0  0  0  0
  8  2  1  0  0  0  0
  9  2  1  0  0  0  0
 10 14  1  0  0  0  0
 11  3  2  0  0  0  0
 12  4  1  0  0  0  0
 13 21  1  0  0  0  0
 14 13  1  0  0  0  0
 15 11  1  0  0  0  0
 16 10  2  0  0  0  0
 17  9  1  0  0  0  0
 18  8  1  0  0  0  0
 19  5  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 20  1  0  0  0  0
 23 26  1  0  0  0  0
 24 10  1  0  0  0  0
 25 23  1  0  0  0  0
 26 14  1  0  0  0  0
 27 16  1  0  0  0  0
 28 24  2  0  0  0  0
 29 28  1  0  0  0  0
 12 15  2  0  0  0  0
  5 18  1  0  0  0  0
 25 16  1  0  0  0  0
 29 27  2  0  0  0  0
M  END
>  <Mol_ID> (1,875)
1875

>  <Formula> (1,875)
C21H28N2O4S2

>  <MolWeight> (1,875)
436.58802

>  <COMPOUND_NAME> (1,875)
WAY-624734

>  <BAR_CODE_NO> (1,875)
90458911

$$$$
WAY-642864
csChFnd80/06171916322D

 25 29  0  0  0  0  0  0  0  0999 V2000
    0.7167   -1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -0.0167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2458    1.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6875    1.2208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1000   -1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417   -2.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3417   -1.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042   -2.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208   -2.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667   -2.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9750    2.5958    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.4000   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458    0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6667    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167    1.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8542   -0.4542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0458    1.6375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4583    3.2708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2625   -2.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042   -3.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9750    3.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958    2.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958    3.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  5  1  0  0  0  0
  5 16  1  0  0  0  0
  6  1  1  0  0  0  0
  7  1  1  0  0  0  0
  8  1  1  0  0  0  0
  9  7  1  0  0  0  0
 10  6  1  0  0  0  0
 11  8  1  0  0  0  0
 12  4  1  0  0  0  0
 13  3  1  0  0  0  0
 14 13  1  0  0  0  0
 15  3  1  0  0  0  0
 16 15  1  0  0  0  0
 17  2  2  0  0  0  0
 18  4  2  0  0  0  0
 19 12  1  0  0  0  0
 20  9  1  0  0  0  0
 21 11  1  0  0  0  0
 22 11  1  0  0  0  0
 23 19  1  0  0  0  0
 24 12  1  0  0  0  0
 25 24  1  0  0  0  0
 22 10  1  0  0  0  0
  9 21  1  0  0  0  0
 20 10  1  0  0  0  0
 14  5  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,876)
1876

>  <Formula> (1,876)
C20H30N2O3

>  <MolWeight> (1,876)
346.4638

>  <COMPOUND_NAME> (1,876)
WAY-642864

>  <BAR_CODE_NO> (1,876)
90477428

$$$$
WAY-642510
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
    0.8125   -1.4667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3625   -2.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542   -0.8542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958    0.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4250   -0.9167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000   -2.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458    1.7708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9250    3.8333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4375    3.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042   -2.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458   -1.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458    0.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4375    4.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2083    0.8125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583    3.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583    4.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1000   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0375    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6958    2.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042   -3.0375    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.1667   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6625   -3.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7250   -2.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4667   -3.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4 13  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  2  0  0  0  0
  7  4  1  0  0  0  0
  8  9  1  0  0  0  0
  9 20  1  0  0  0  0
 10  2  2  0  0  0  0
 11  3  1  0  0  0  0
 12  3  1  0  0  0  0
 13 18  1  0  0  0  0
 14  8  1  0  0  0  0
 15  4  2  0  0  0  0
 16  9  2  0  0  0  0
 17 16  1  0  0  0  0
 18 12  1  0  0  0  0
 19 11  1  0  0  0  0
 20  7  1  0  0  0  0
 21 10  1  0  0  0  0
 22  2  1  0  0  0  0
 23 10  1  0  0  0  0
 24 22  2  0  0  0  0
 25 24  1  0  0  0  0
 13 19  1  0  0  0  0
 25 23  2  0  0  0  0
 14 17  2  0  0  0  0
M  END
>  <Mol_ID> (1,877)
1877

>  <Formula> (1,877)
C17H19FN2O3S2

>  <MolWeight> (1,877)
382.4727632

>  <COMPOUND_NAME> (1,877)
WAY-642510

>  <BAR_CODE_NO> (1,877)
90477070

$$$$
WAY-616381
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.0583   -0.4667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7250   -0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458   -1.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7250   -1.5458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583   -1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3167    0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375    0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5042    3.3667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792    3.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3917   -0.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708   -1.1333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917   -2.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8667   -1.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0167    1.7167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5042    4.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7625    3.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792    4.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0458    0.7583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5333    2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375   -3.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208   -2.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5708   -3.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -4.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  9  1  0  0  0  0
  9 19  1  0  0  0  0
 10  2  2  0  0  0  0
 11  3  2  0  0  0  0
 12  5  1  0  0  0  0
 13  5  1  0  0  0  0
 14  7  1  0  0  0  0
 15  8  1  0  0  0  0
 16  9  2  0  0  0  0
 17 16  1  0  0  0  0
 18  7  2  0  0  0  0
 19 14  1  0  0  0  0
 20 12  1  0  0  0  0
 21 13  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
  5  4  1  0  0  0  0
 22 20  1  0  0  0  0
 17 15  2  0  0  0  0
M  END
>  <Mol_ID> (1,878)
1878

>  <Formula> (1,878)
C16H21N3O3S

>  <MolWeight> (1,878)
335.42124

>  <COMPOUND_NAME> (1,878)
WAY-616381

>  <BAR_CODE_NO> (1,878)
90450368

$$$$
WAY-624571
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -0.4500    1.7083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708    1.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4500    2.5333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6417   -2.0167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708    2.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8833    1.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3292   -2.5042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.2625    1.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8833    2.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1375   -3.1792    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.7250   -1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042   -2.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167   -3.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1250   -1.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667   -1.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2125    0.4875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708    3.7708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292   -2.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9750   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4542   -0.7542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667    0.0958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.0250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5958    1.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0375   -3.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5958    2.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167   -1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5792   -0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3083    1.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3083    2.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4 11  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8  1  1  0  0  0  0
  9  5  1  0  0  0  0
 10 12  1  0  0  0  0
 11 20  1  0  0  0  0
 12  4  1  0  0  0  0
 13  8  1  0  0  0  0
 14  7  1  0  0  0  0
 15 16  1  0  0  0  0
 16  7  1  0  0  0  0
 17  2  2  0  0  0  0
 18  5  2  0  0  0  0
 19 10  1  0  0  0  0
 20 22  1  0  0  0  0
 21 11  2  0  0  0  0
 22 13  1  0  0  0  0
 23 13  2  0  0  0  0
 24  6  1  0  0  0  0
 25 10  1  0  0  0  0
 26  9  1  0  0  0  0
 27 15  1  0  0  0  0
 28 15  1  0  0  0  0
 29 24  2  0  0  0  0
 30 26  2  0  0  0  0
  9  6  2  0  0  0  0
 29 30  1  0  0  0  0
 14 10  1  0  0  0  0
 19 15  1  0  0  0  0
M  END
>  <Mol_ID> (1,879)
1879

>  <Formula> (1,879)
C22H27N3O5

>  <MolWeight> (1,879)
413.46688

>  <COMPOUND_NAME> (1,879)
WAY-624571

>  <BAR_CODE_NO> (1,879)
90458747

$$$$
WAY-333285
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -1.3071   -0.0726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5209    0.1860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3036   -0.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0209    0.3343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2726    0.9722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0312   -0.4795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5140   -1.1519    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0209   -1.3174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7347   -0.0795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5343    1.1481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8278    1.5826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7347   -0.9036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1136    0.5688    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7653    1.9412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8998   -0.2243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9032    0.7826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4722   -0.8036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4826    0.1964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2688   -0.5968    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8481   -1.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
  6  7  1  0  0  0  0
  9 12  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,880)
1880

>  <Formula> (1,880)
C15H17N3O2

>  <MolWeight> (1,880)
271.31438

>  <COMPOUND_NAME> (1,880)
WAY-333285

>  <BAR_CODE_NO> (1,880)
308286

$$$$
WAY-278570
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.9958   -0.7500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7958   -0.5667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1708   -0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1500   -1.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8125    0.0708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3875   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3958   -0.2292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3333   -1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0500    0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1875   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4292   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042   -1.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2292   -1.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8875   -1.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8500    0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1333   -1.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292    0.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7875   -0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5375   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5792   -1.0292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2208   -0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8042   -1.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6042   -1.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  1  2  0  0  0  0
  6  3  1  0  0  0  0
  7 15  1  0  0  0  0
  8  2  1  0  0  0  0
  9  2  1  0  0  0  0
 10  6  2  0  0  0  0
 11 14  2  0  0  0  0
 12  3  2  0  0  0  0
 13 11  1  0  0  0  0
 14 12  1  0  0  0  0
 15  9  1  0  0  0  0
 16  8  1  0  0  0  0
 17 10  1  0  0  0  0
 18 13  2  0  0  0  0
 19 17  2  0  0  0  0
 20 18  1  0  0  0  0
 21  7  1  0  0  0  0
 22 20  1  0  0  0  0
 23 22  1  0  0  0  0
 16  7  1  0  0  0  0
 10 11  1  0  0  0  0
 19 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,881)
1881

>  <Formula> (1,881)
C17H22N2O3S

>  <MolWeight> (1,881)
334.43318

>  <COMPOUND_NAME> (1,881)
WAY-278570

>  <BAR_CODE_NO> (1,881)
389225

$$$$
WAY-332970
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
   10.0542   -2.9667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.9542   -4.4875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2750   -3.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9917   -2.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0542   -4.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9917   -2.8667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.9917   -4.0250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.9917   -4.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9542   -2.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1167   -3.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9917   -4.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9917   -2.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9917   -4.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9917   -2.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8667   -1.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -4.0250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5417   -4.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9917   -5.7625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1167   -5.5542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5417   -2.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3875   -4.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9917   -6.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5417   -6.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3875   -2.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9917   -7.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8042   -3.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  9  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7 12  1  0  0  0  0
  8  7  1  0  0  0  0
  9  1  1  0  0  0  0
 10  3  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13  6  1  0  0  0  0
 14  6  1  0  0  0  0
 15  4  2  0  0  0  0
 16  8  2  0  0  0  0
 17 10  1  0  0  0  0
 18  8  1  0  0  0  0
 19 17  1  0  0  0  0
 20 10  2  0  0  0  0
 21 17  2  0  0  0  0
 22 18  1  0  0  0  0
 23 19  1  0  0  0  0
 24 20  1  0  0  0  0
 25 22  1  0  0  0  0
 26 24  2  0  0  0  0
  3  2  2  0  0  0  0
  7 11  1  0  0  0  0
 21 26  1  0  0  0  0
M  END
>  <Mol_ID> (1,882)
1882

>  <Formula> (1,882)
C18H23N3O5

>  <MolWeight> (1,882)
361.39232

>  <COMPOUND_NAME> (1,882)
WAY-332970

>  <BAR_CODE_NO> (1,882)
307971

$$$$
WAY-663688
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.8750   -1.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9833    1.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9833    2.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5875   -1.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6958    0.8833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6958    2.5333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542   -1.5917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8750   -0.3542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708    2.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5875   -2.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3042   -1.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5583    1.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0167   -2.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5583    2.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3042   -2.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0167   -1.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7292   -2.8292    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542    0.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4125    1.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4125    2.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  6  1  0  0  0  0
  3 10  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6 13  2  0  0  0  0
  7  3  1  0  0  0  0
  8  1  2  0  0  0  0
  9  1  1  0  0  0  0
 10 15  2  0  0  0  0
 11  4  2  0  0  0  0
 12  4  1  0  0  0  0
 13 22  1  0  0  0  0
 14 17  1  0  0  0  0
 15 13  1  0  0  0  0
 16 11  1  0  0  0  0
 17 12  2  0  0  0  0
 18 14  1  0  0  0  0
 19  9  1  0  0  0  0
 20  5  1  0  0  0  0
 21  7  1  0  0  0  0
 22 19  1  0  0  0  0
 14 16  2  0  0  0  0
  3  2  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,883)
1883

>  <Formula> (1,883)
C17H16FNO3

>  <MolWeight> (1,883)
301.3122432

>  <COMPOUND_NAME> (1,883)
WAY-663688

>  <BAR_CODE_NO> (1,883)
90498436

$$$$
WAY-643685
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
    1.1292   -0.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417    1.9583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792   -0.2292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2875    1.1708    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.8375    0.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792   -1.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208    0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9417   -0.6750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4292   -2.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7750    0.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0750    1.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1792   -3.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1333    0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8833    1.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5833    0.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292   -3.6417    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.3250    2.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542    2.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9458    0.4833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0750   -1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833   -2.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667   -3.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1958   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417    3.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3250    3.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8  1  2  0  0  0  0
  9  6  2  0  0  0  0
 10  7  1  0  0  0  0
 11  7  2  0  0  0  0
 12  9  1  0  0  0  0
 13 14  2  0  0  0  0
 14 11  1  0  0  0  0
 15 10  2  0  0  0  0
 16 12  1  0  0  0  0
 17  2  1  0  0  0  0
 18  2  1  0  0  0  0
 19 13  1  0  0  0  0
 20  6  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 19  1  0  0  0  0
 24 18  1  0  0  0  0
 25 17  1  0  0  0  0
 22 12  2  0  0  0  0
 15 13  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,884)
1884

>  <Formula> (1,884)
C20H23BrN2O2

>  <MolWeight> (1,884)
403.31282

>  <COMPOUND_NAME> (1,884)
WAY-643685

>  <BAR_CODE_NO> (1,884)
90478257

$$$$
WAY-616778
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    0.9292   -2.9042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000    2.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292   -2.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292   -4.5542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000    2.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167    1.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2125    1.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000   -0.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167   -1.6667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.5000    0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167   -0.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167    0.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2125    0.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000   -2.0792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167   -3.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6458   -3.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6458   -4.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167   -4.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2125    3.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167    3.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167    4.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2125    4.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000    4.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  2  0  0  0  0
  3  1  1  0  0  0  0
  4 17  1  0  0  0  0
  5  2  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 11  1  0  0  0  0
  9  3  1  0  0  0  0
 10  8  1  0  0  0  0
 11  9  1  0  0  0  0
 12 10  1  0  0  0  0
 13 10  2  0  0  0  0
 14  9  1  0  0  0  0
 15  1  1  0  0  0  0
 16  1  1  0  0  0  0
 17 16  1  0  0  0  0
 18 15  1  0  0  0  0
 19  5  2  0  0  0  0
 20  5  1  0  0  0  0
 21 20  2  0  0  0  0
 22 19  1  0  0  0  0
 23 21  1  0  0  0  0
 18  4  1  0  0  0  0
  6  2  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,885)
1885

>  <Formula> (1,885)
C19H23NO3

>  <MolWeight> (1,885)
313.39082

>  <COMPOUND_NAME> (1,885)
WAY-616778

>  <BAR_CODE_NO> (1,885)
90450774

$$$$
WAY-643804
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
    0.0417    2.7333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083    1.9458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3000    3.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208    0.3750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9750   -0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833    4.1792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7375    2.9833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208    1.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3417    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0875    3.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0875    0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708    0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3000    4.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833   -0.5792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0875    4.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1750   -3.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208   -1.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3833   -3.2042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1250   -2.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833   -4.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792   -3.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6750   -1.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5292   -4.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667   -5.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2750   -5.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4 12  1  0  0  0  0
  5  4  1  0  0  0  0
  6  3  1  0  0  0  0
  7  1  2  0  0  0  0
  8  1  2  0  0  0  0
  9  2  1  0  0  0  0
 10  2  1  0  0  0  0
 11  3  2  0  0  0  0
 12 10  1  0  0  0  0
 13  9  1  0  0  0  0
 14  6  1  0  0  0  0
 15  5  2  0  0  0  0
 16 11  1  0  0  0  0
 17 19  1  0  0  0  0
 18  5  1  0  0  0  0
 19 20  1  0  0  0  0
 20 23  1  0  0  0  0
 21 17  1  0  0  0  0
 22 17  2  0  0  0  0
 23 18  1  0  0  0  0
 24 22  1  0  0  0  0
 25 21  2  0  0  0  0
 26 24  2  0  0  0  0
 14 16  2  0  0  0  0
  4 13  1  0  0  0  0
 26 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,886)
1886

>  <Formula> (1,886)
C18H22N2O4S2

>  <MolWeight> (1,886)
394.50828

>  <COMPOUND_NAME> (1,886)
WAY-643804

>  <BAR_CODE_NO> (1,886)
90478376

$$$$
WAY-624761
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
    1.0917    0.2333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2625    1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667    0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5500    1.4583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0625    0.9000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.1250    1.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1250    3.1958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6458    2.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708    1.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9125    2.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9125    2.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167    1.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458   -0.5667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6417   -0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1750   -4.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6875   -2.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167   -4.9167    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.9792   -3.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6250   -3.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792   -2.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2375   -3.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9417   -1.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3875   -1.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6250    1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6250    3.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3458    2.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3458    2.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  8  6  2  0  0  0  0
  9  5  1  0  0  0  0
 10  6  1  0  0  0  0
 11 10  2  0  0  0  0
 12  2  2  0  0  0  0
 13  3  2  0  0  0  0
 14  1  1  0  0  0  0
 15 18  1  0  0  0  0
 16 22  1  0  0  0  0
 17 15  1  0  0  0  0
 18 21  2  0  0  0  0
 19 20  1  0  0  0  0
 20 16  2  0  0  0  0
 21 16  1  0  0  0  0
 22 23  1  0  0  0  0
 23 14  1  0  0  0  0
 24 10  1  0  0  0  0
 25 11  1  0  0  0  0
 26 24  2  0  0  0  0
 27 26  1  0  0  0  0
  5  4  1  0  0  0  0
 15 19  2  0  0  0  0
 11  7  1  0  0  0  0
 27 25  2  0  0  0  0
M  END
>  <Mol_ID> (1,887)
1887

>  <Formula> (1,887)
C20H18FN3O3

>  <MolWeight> (1,887)
367.3736232

>  <COMPOUND_NAME> (1,887)
WAY-624761

>  <BAR_CODE_NO> (1,887)
90458938

$$$$
WAY-330598
csChFnd80/06171916322D

 21 24  0  0  0  0  0  0  0  0999 V2000
   -2.6422    0.5481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6422   -0.3002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2042    0.5481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3629    0.9757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9249   -0.7243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3629   -0.7243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2042   -0.3002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6180    0.5481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0801    0.5481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8905   -1.2485    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0801   -0.3002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2249    0.1584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6682   -0.3002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3889   -0.7243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6682    0.5481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1061   -0.3002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3889    0.9757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1061    0.5481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8233   -0.7243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5440    0.5481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5440   -0.3002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
  5  7  1  0  0  0  0
  9 11  1  0  0  0  0
 17 18  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,888)
1888

>  <Formula> (1,888)
C16H11NO4

>  <MolWeight> (1,888)
281.26284

>  <COMPOUND_NAME> (1,888)
WAY-330598

>  <BAR_CODE_NO> (1,888)
305599

$$$$
WAY-642726-A
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
    0.9042   -0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6167   -0.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3292   -0.4750    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.3833   -0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3292    0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3833    0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1708   -0.7292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5250   -0.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1708    0.6083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6583   -0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042    0.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1875   -0.8875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.6708   -0.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0417    0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6708    0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9583   -0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375   -0.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9583    0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0417   -0.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7625   -0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6167    0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7625    0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0417    1.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1875   -1.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6167    1.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3292    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4 13  1  0  0  0  0
  5  3  1  0  0  0  0
  6 15  1  0  0  0  0
  7  4  1  0  0  0  0
  8 12  1  0  0  0  0
  9  6  1  0  0  0  0
 10  7  1  0  0  0  0
 11  1  2  0  0  0  0
 12  1  1  0  0  0  0
 13 16  2  0  0  0  0
 14  5  2  0  0  0  0
 15 18  2  0  0  0  0
 16 17  1  0  0  0  0
 17  8  1  0  0  0  0
 18 16  1  0  0  0  0
 19  3  1  0  0  0  0
 20 19  1  0  0  0  0
 21  5  1  0  0  0  0
 22 14  1  0  0  0  0
 23 14  1  0  0  0  0
 24 12  1  0  0  0  0
 25 21  2  0  0  0  0
 26 25  1  0  0  0  0
 22 20  1  0  0  0  0
 26 23  2  0  0  0  0
  6  4  2  0  0  0  0
 10  9  1  0  0  0  0
M  END
>  <Mol_ID> (1,889)
1889

>  <Formula> (1,889)
C21H24N2O3

>  <MolWeight> (1,889)
352.42686

>  <COMPOUND_NAME> (1,889)
WAY-642726-A

>  <BAR_CODE_NO> (1,889)
90477289

$$$$
WAY-643590
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
   -1.7083   -1.6167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958   -1.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4208   -2.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833    0.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4375    1.2708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958   -0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833    0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8667    2.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1500    2.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1208   -0.9042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2958   -2.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833   -1.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4375    2.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1500    0.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958    1.2708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4375   -0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8667    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5792    2.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4375   -1.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8500   -2.8542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4208   -2.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1375   -1.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833   -2.4417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8500   -2.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1375   -3.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2917    2.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5792    3.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4375   -2.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2917    3.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0042    2.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0042    3.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  7  1  0  0  0  0
  5  4  1  0  0  0  0
  6  2  1  0  0  0  0
  7  6  2  0  0  0  0
  8 17  1  0  0  0  0
  9 13  1  0  0  0  0
 10  1  2  0  0  0  0
 11  1  2  0  0  0  0
 12  2  2  0  0  0  0
 13  5  1  0  0  0  0
 14  5  1  0  0  0  0
 15  4  2  0  0  0  0
 16 19  2  0  0  0  0
 17 14  1  0  0  0  0
 18  8  1  0  0  0  0
 19 12  1  0  0  0  0
 20 24  1  0  0  0  0
 21  3  1  0  0  0  0
 22  3  1  0  0  0  0
 23 12  1  0  0  0  0
 24 22  1  0  0  0  0
 25 21  1  0  0  0  0
 26 18  1  0  0  0  0
 27 18  2  0  0  0  0
 28 23  1  0  0  0  0
 29 27  1  0  0  0  0
 30 26  2  0  0  0  0
 31 29  2  0  0  0  0
 20 25  1  0  0  0  0
  7 16  1  0  0  0  0
  8  9  2  0  0  0  0
 31 30  1  0  0  0  0
M  END
>  <Mol_ID> (1,890)
1890

>  <Formula> (1,890)
C23H26N2O5S

>  <MolWeight> (1,890)
442.52794

>  <COMPOUND_NAME> (1,890)
WAY-643590

>  <BAR_CODE_NO> (1,890)
90478162

$$$$
WAY-624667
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
    0.6792   -1.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1083    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1500    3.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083   -2.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542    1.8458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333    3.9083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1250   -0.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1417   -1.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667    1.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0250   -2.1792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3917   -2.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333   -1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667   -2.8917    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.5083   -2.1500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.7875   -1.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9375    3.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1500    4.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917   -0.2750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9375    4.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9125    2.2833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833   -2.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000   -3.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9500   -0.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333    0.8833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6875   -1.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542   -2.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7750    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1583    3.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2875   -2.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  2  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8  1  1  0  0  0  0
  9 27  1  0  0  0  0
 10  4  1  0  0  0  0
 11  1  1  0  0  0  0
 12  1  1  0  0  0  0
 13 11  1  0  0  0  0
 14 12  1  0  0  0  0
 15 10  1  0  0  0  0
 16  3  2  0  0  0  0
 17  6  1  0  0  0  0
 18  7  1  0  0  0  0
 19 16  1  0  0  0  0
 20  2  2  0  0  0  0
 21 14  1  0  0  0  0
 22 13  1  0  0  0  0
 23  7  2  0  0  0  0
 24  9  2  0  0  0  0
 25 15  2  0  0  0  0
 26 14  1  0  0  0  0
 27 18  1  0  0  0  0
 28  6  1  0  0  0  0
 29 15  1  0  0  0  0
 26 13  1  0  0  0  0
 21  4  1  0  0  0  0
 22  4  1  0  0  0  0
 17 19  2  0  0  0  0
M  END
>  <Mol_ID> (1,891)
1891

>  <Formula> (1,891)
C21H27N3O5

>  <MolWeight> (1,891)
401.45618

>  <COMPOUND_NAME> (1,891)
WAY-624667

>  <BAR_CODE_NO> (1,891)
90458843

$$$$
WAY-333306
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -5.8958    6.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4958    8.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1875    4.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0958    8.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1042    2.9083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958   10.1917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2792    6.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0292    4.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167   14.0667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4583   10.7167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1333    6.0917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7042    9.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6625   12.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1000   11.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458   14.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8958    3.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8667    8.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3667    3.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5292   16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2292    7.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9542    5.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  2  0  0  0  0
  9 15  1  0  0  0  0
 10  2  2  0  0  0  0
 11  4  2  0  0  0  0
 12  6  1  0  0  0  0
 13  6  1  0  0  0  0
 14 12  1  0  0  0  0
 15 13  1  0  0  0  0
 16  3  1  0  0  0  0
 17  7  1  0  0  0  0
 18  8  1  0  0  0  0
 19  9  1  0  0  0  0
 20 17  2  0  0  0  0
 21 20  1  0  0  0  0
  5  8  1  0  0  0  0
 18 21  2  0  0  0  0
  9 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,892)
1892

>  <Formula> (1,892)
C16H19N3O2

>  <MolWeight> (1,892)
285.34096

>  <COMPOUND_NAME> (1,892)
WAY-333306

>  <BAR_CODE_NO> (1,892)
308307

$$$$
WAY-333309
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -5.1833    5.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9583    7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5625    3.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458    7.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2542    2.5625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083    8.9750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2792    5.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8792   12.3792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1417   14.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9500    3.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8000    9.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958    5.3542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792    8.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4625   10.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208   12.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7500   10.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2792   16.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2167   13.8542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5500    3.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6875    7.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0042    3.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4667   15.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7542    6.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4042    4.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5667   15.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  7  1  1  0  0  0  0
  8 15  1  0  0  0  0
  9  8  1  0  0  0  0
 10  7  2  0  0  0  0
 11  2  2  0  0  0  0
 12  4  2  0  0  0  0
 13  6  1  0  0  0  0
 14  6  1  0  0  0  0
 15 14  1  0  0  0  0
 16 13  1  0  0  0  0
 17  9  2  0  0  0  0
 18  9  1  0  0  0  0
 19  3  1  0  0  0  0
 20  7  1  0  0  0  0
 21 10  1  0  0  0  0
 22 18  1  0  0  0  0
 23 20  2  0  0  0  0
 24 23  1  0  0  0  0
 25 22  1  0  0  0  0
  5 10  1  0  0  0  0
 24 21  2  0  0  0  0
  8 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,893)
1893

>  <Formula> (1,893)
C18H21N3O4

>  <MolWeight> (1,893)
343.37704

>  <COMPOUND_NAME> (1,893)
WAY-333309

>  <BAR_CODE_NO> (1,893)
308310

$$$$
WAY-624939
csChFnd80/06171916322D

 15 16  0  0  0  0  0  0  0  0999 V2000
    0.3292   -0.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292   -0.0167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0750   -1.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958    2.4583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3833    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3833    0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958    1.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -1.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542   -2.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3833    2.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292    1.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7417   -2.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5958   -2.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833   -2.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  6  2  1  0  0  0  0
  7  5  2  0  0  0  0
  8  1  1  0  0  0  0
  9  3  1  0  0  0  0
 10 12  1  0  0  0  0
 11  5  1  0  0  0  0
 12 11  2  0  0  0  0
 13  9  1  0  0  0  0
 14  8  1  0  0  0  0
 15 14  1  0  0  0  0
 13 15  1  0  0  0  0
 10  4  2  0  0  0  0
M  END
>  <Mol_ID> (1,894)
1894

>  <Formula> (1,894)
C12H17N3

>  <MolWeight> (1,894)
203.28348

>  <COMPOUND_NAME> (1,894)
WAY-624939

>  <BAR_CODE_NO> (1,894)
90459119

$$$$
WAY-624938
csChFnd80/06171916322D

 13 14  0  0  0  0  0  0  0  0999 V2000
    0.0042    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4750    1.9583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3500   -2.2917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0500   -0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042   -1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917    1.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    2.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583   -2.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583   -1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917    2.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083   -1.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  6  2  1  0  0  0  0
  7  5  2  0  0  0  0
  8  1  1  0  0  0  0
  9  3  1  0  0  0  0
 10 13  1  0  0  0  0
 11  5  1  0  0  0  0
 12  8  1  0  0  0  0
 13 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10  4  2  0  0  0  0
M  END
>  <Mol_ID> (1,895)
1895

>  <Formula> (1,895)
C10H13N3

>  <MolWeight> (1,895)
175.23032

>  <COMPOUND_NAME> (1,895)
WAY-624938

>  <BAR_CODE_NO> (1,895)
90459118

$$$$
WAY-624482
csChFnd80/06171916322D

 32 36  0  0  0  0  0  0  0  0999 V2000
    2.0417   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4750   -0.8417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0417   -0.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7542   -1.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292    0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7542    0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4750   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3958    0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8125   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3958    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1708    0.1333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6167   -0.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1708    1.4708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6583    0.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5333    0.3958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6708   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292    1.2208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8125   -0.8417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6708    1.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1000    0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9583    0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2458   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9583    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2750   -1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8792   -2.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7542    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875    0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292   -1.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167   -2.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4750    1.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -2.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  1  1  0  0  0  0
  6  1  2  0  0  0  0
  7  6  1  0  0  0  0
  8 16  1  0  0  0  0
  9 20  1  0  0  0  0
 10 19  1  0  0  0  0
 11  8  1  0  0  0  0
 12  5  1  0  0  0  0
 13 10  1  0  0  0  0
 14 11  1  0  0  0  0
 15  9  1  0  0  0  0
 16 21  2  0  0  0  0
 17  5  2  0  0  0  0
 18  9  2  0  0  0  0
 19 23  2  0  0  0  0
 20 12  1  0  0  0  0
 21 22  1  0  0  0  0
 22 15  1  0  0  0  0
 23 21  1  0  0  0  0
 24  3  1  0  0  0  0
 25  4  1  0  0  0  0
 26  6  1  0  0  0  0
 27  7  1  0  0  0  0
 28 24  1  0  0  0  0
 29 25  1  0  0  0  0
 30 26  2  0  0  0  0
 31 30  1  0  0  0  0
 32 28  1  0  0  0  0
  2  4  1  0  0  0  0
 31 27  2  0  0  0  0
 29 32  1  0  0  0  0
 10  8  2  0  0  0  0
 14 13  1  0  0  0  0
M  END
>  <Mol_ID> (1,896)
1896

>  <Formula> (1,896)
C25H24N2O5

>  <MolWeight> (1,896)
432.46846

>  <COMPOUND_NAME> (1,896)
WAY-624482

>  <BAR_CODE_NO> (1,896)
90458658

$$$$
WAY-616648
csChFnd80/06171916322D

 24 27  0  0  0  0  0  0  0  0999 V2000
    0.6208   -0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6208   -2.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0917   -1.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0917   -1.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6208    0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3375   -1.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3375   -1.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0917    0.5875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3375    0.5875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0917    1.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2375    2.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8083    1.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9500    3.0625    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2375    1.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5208    3.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8083    2.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5208    1.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8750   -0.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8750   -2.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0500   -0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3625   -1.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0500   -2.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7667   -1.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7667   -1.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  1  1  0  0  0  0
  6  1  2  0  0  0  0
  7  6  1  0  0  0  0
  8  5  1  0  0  0  0
  9  5  2  0  0  0  0
 10  8  1  0  0  0  0
 11 14  1  0  0  0  0
 12 10  1  0  0  0  0
 13 11  1  0  0  0  0
 14 17  2  0  0  0  0
 15 16  1  0  0  0  0
 16 12  2  0  0  0  0
 17 12  1  0  0  0  0
 18  3  1  0  0  0  0
 19  4  1  0  0  0  0
 20  6  1  0  0  0  0
 21 18  1  0  0  0  0
 22  7  1  0  0  0  0
 23 20  2  0  0  0  0
 24 23  1  0  0  0  0
  4  2  1  0  0  0  0
 21 19  1  0  0  0  0
 22 24  2  0  0  0  0
 15 11  2  0  0  0  0
M  END
>  <Mol_ID> (1,897)
1897

>  <Formula> (1,897)
C20H17FN2O

>  <MolWeight> (1,897)
320.3601832

>  <COMPOUND_NAME> (1,897)
WAY-616648

>  <BAR_CODE_NO> (1,897)
90450640

$$$$
WAY-624917
csChFnd80/06171916322D

 13 14  0  0  0  0  0  0  0  0999 V2000
    0.3625   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4625   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7750    0.4458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167    0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167    0.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8750    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7750   -0.9875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4625    1.1583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8750   -0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7000    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7000   -0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1125   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  4  1  0  0  0  0
  7  2  2  0  0  0  0
  8  1  2  0  0  0  0
  9  7  1  0  0  0  0
 10  2  1  0  0  0  0
 11  7  1  0  0  0  0
 12 10  2  0  0  0  0
 13 12  1  0  0  0  0
  6  5  1  0  0  0  0
 13 11  2  0  0  0  0
M  END
>  <Mol_ID> (1,898)
1898

>  <Formula> (1,898)
C10H12N2O

>  <MolWeight> (1,898)
176.21508

>  <COMPOUND_NAME> (1,898)
WAY-624917

>  <BAR_CODE_NO> (1,898)
90459097

$$$$
WAY-329897
csChFnd80/06171916322D

 20 21  0  0  0  0  0  0  0  0999 V2000
   10.1417  -13.7875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.9917  -14.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5917  -14.4500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2042  -15.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1917  -15.3542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8500  -13.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6417  -14.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6292  -12.9167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2792  -13.2917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0042  -14.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7125  -13.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1417  -15.2792    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.4292  -13.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8542  -15.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0042  -13.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8542  -13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7125  -14.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5625  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9500  -12.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5750  -13.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  6  2  0  0  0  0
  4  2  2  0  0  0  0
  5  4  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  2  0  0  0  0
  8  1  2  0  0  0  0
  9  1  1  0  0  0  0
 10 14  2  0  0  0  0
 11 20  1  0  0  0  0
 12 10  1  0  0  0  0
 13  9  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
 17 11  2  0  0  0  0
 18  4  1  0  0  0  0
 19  6  1  0  0  0  0
 20 13  1  0  0  0  0
  3  5  1  0  0  0  0
 10 15  1  0  0  0  0
M  END
>  <Mol_ID> (1,899)
1899

>  <Formula> (1,899)
C13H16ClN3O2S

>  <MolWeight> (1,899)
313.80304

>  <COMPOUND_NAME> (1,899)
WAY-329897

>  <BAR_CODE_NO> (1,899)
304898

$$$$
WAY-624873
csChFnd80/06171916322D

 13 14  0  0  0  0  0  0  0  0999 V2000
    0.0042    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4750    1.9583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042   -1.5125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0500   -0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917    1.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    2.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3500   -2.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583   -1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917    2.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583   -2.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083   -1.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  6  2  0  0  0  0
  5  2  1  0  0  0  0
  6  5  1  0  0  0  0
  7  1  1  0  0  0  0
  8  3  1  0  0  0  0
  9  4  1  0  0  0  0
 10  6  1  0  0  0  0
 11  7  1  0  0  0  0
 12 13  1  0  0  0  0
 13 10  2  0  0  0  0
  8 11  1  0  0  0  0
 12  9  2  0  0  0  0
M  END
>  <Mol_ID> (1,900)
1900

>  <Formula> (1,900)
C10H13N3

>  <MolWeight> (1,900)
175.23032

>  <COMPOUND_NAME> (1,900)
WAY-624873

>  <BAR_CODE_NO> (1,900)
90459051

$$$$
WAY-329838
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -8.8375    3.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0625    3.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1333    5.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3833    1.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5792    8.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4750   -0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4375    9.4625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0125    6.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7500    5.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9458    7.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5250    1.9875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9750   11.6250    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
  -12.8000   -1.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2125   10.2750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8500   12.2750    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
  -14.9875   -1.6000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -9.2750   -0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6000   13.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9125   -3.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8125   10.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3625   14.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3625   -2.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1625   15.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6875   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0250   16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  8  1  0  0  0  0
  6  4  1  0  0  0  0
  7  5  1  0  0  0  0
  8  3  1  0  0  0  0
  9  2  1  0  0  0  0
 10  3  1  0  0  0  0
 11  1  2  0  0  0  0
 12  7  1  0  0  0  0
 13  6  1  0  0  0  0
 14  5  2  0  0  0  0
 15 12  1  0  0  0  0
 16 13  1  0  0  0  0
 17  6  2  0  0  0  0
 18 12  1  0  0  0  0
 19 13  2  0  0  0  0
 20 15  1  0  0  0  0
 21 15  1  0  0  0  0
 22 17  1  0  0  0  0
 23 18  1  0  0  0  0
 24 22  2  0  0  0  0
 25 23  1  0  0  0  0
 10  9  1  0  0  0  0
 19 24  1  0  0  0  0
 21 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,901)
1901

>  <Formula> (1,901)
C19H26ClN3O2

>  <MolWeight> (1,901)
363.88164

>  <COMPOUND_NAME> (1,901)
WAY-329838

>  <BAR_CODE_NO> (1,901)
304839

$$$$
WAY-643018
csChFnd80/06171916322D

 23 26  0  0  0  0  0  0  0  0999 V2000
    1.2515    1.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6377    1.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0205    2.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9826    1.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0377    1.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6274    0.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2757    2.6103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5274    3.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4826    2.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0209    0.3345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2757    0.3172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2550    3.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0312   -0.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6795   -0.7828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6933   -1.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3347   -1.9172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1312   -2.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1761   -2.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0588   -1.6828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4416   -2.7241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7416   -3.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6140   -2.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4519   -2.9172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  2  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  2  0  0  0  0
 21 23  2  0  0  0  0
  5  7  1  0  0  0  0
  9 12  2  0  0  0  0
 18 20  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,902)
1902

>  <Formula> (1,902)
C18H16N4O

>  <MolWeight> (1,902)
304.34584

>  <COMPOUND_NAME> (1,902)
WAY-643018

>  <BAR_CODE_NO> (1,902)
90477586

$$$$
WAY-624439
csChFnd80/06171916322D

 29 31  0  0  0  0  0  0  0  0999 V2000
    2.8792   -2.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4500    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4500   -0.3792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1208    0.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8792   -2.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7375    0.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5500    0.8583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4083    0.4458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1667   -0.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1667   -1.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1667    0.8583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8333    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958    0.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1208    1.6833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8792   -3.6792    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7042   -2.8542    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0542   -2.8542    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9833    1.6833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5500    1.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2708    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5917   -1.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7375    1.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167    2.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5917   -0.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8792   -0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958    1.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9833    0.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2708    2.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  9  1  0  0  0  0
  4  8  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  2  0  0  0  0
 11  6  2  0  0  0  0
 12  2  2  0  0  0  0
 13  4  1  0  0  0  0
 14 11  1  0  0  0  0
 15  4  2  0  0  0  0
 16  1  1  0  0  0  0
 17  1  1  0  0  0  0
 18  1  1  0  0  0  0
 19 28  1  0  0  0  0
 20  7  1  0  0  0  0
 21  7  1  0  0  0  0
 22  5  1  0  0  0  0
 23  6  1  0  0  0  0
 24 23  2  0  0  0  0
 25 22  2  0  0  0  0
 26 25  1  0  0  0  0
 27 24  1  0  0  0  0
 28 21  1  0  0  0  0
 29 20  1  0  0  0  0
 26  9  2  0  0  0  0
 27 14  2  0  0  0  0
 19 29  1  0  0  0  0
M  END
>  <Mol_ID> (1,903)
1903

>  <Formula> (1,903)
C20H20F3N3O3

>  <MolWeight> (1,903)
407.3863096

>  <COMPOUND_NAME> (1,903)
WAY-624439

>  <BAR_CODE_NO> (1,903)
90458614

$$$$
WAY-329143
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -6.4417    7.8417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5042    9.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6167    5.7917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0792    3.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4417    3.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8708    5.7917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5125    9.8792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7417    8.3125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6667   11.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2583    9.8792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3917    6.6375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0167   11.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5042   11.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5125    5.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0500    7.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6667    7.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8708    9.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8958    1.7208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1167   10.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7417   12.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000   13.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5542   13.9167    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -9.9708    5.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5125   13.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6667   16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0167   16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  7 17  1  0  0  0  0
  8  2  1  0  0  0  0
  9  7  1  0  0  0  0
 10  1  2  0  0  0  0
 11  1  2  0  0  0  0
 12  9  2  0  0  0  0
 13  2  2  0  0  0  0
 14  6  1  0  0  0  0
 15  6  1  0  0  0  0
 16 14  1  0  0  0  0
 17 15  1  0  0  0  0
 18  4  2  0  0  0  0
 19  8  1  0  0  0  0
 20 13  1  0  0  0  0
 21 12  1  0  0  0  0
 22 21  1  0  0  0  0
 23  3  1  0  0  0  0
 24  9  1  0  0  0  0
 25 24  2  0  0  0  0
 26 25  1  0  0  0  0
 20 19  2  0  0  0  0
 16  7  1  0  0  0  0
 26 21  2  0  0  0  0
M  END
>  <Mol_ID> (1,904)
1904

>  <Formula> (1,904)
C17H20ClN3O3S2

>  <MolWeight> (1,904)
413.942

>  <COMPOUND_NAME> (1,904)
WAY-329143

>  <BAR_CODE_NO> (1,904)
304144

$$$$
WAY-641879
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
    1.8292   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0250   -0.6667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167   -0.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5417   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042   -1.4917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3125   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5417    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4583   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8292   -1.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2625   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2625    0.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8292    0.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4583    0.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0250    0.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1708   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4583   -1.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5417   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2625   -1.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1708   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4583    1.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0250    1.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2625    1.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8292    1.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8833   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5417    2.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458    2.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8833   -1.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  8  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  5  2  0  0  0  0
  8  5  1  0  0  0  0
  9  4  1  0  0  0  0
 10  6  1  0  0  0  0
 11  6  1  0  0  0  0
 12  1  1  0  0  0  0
 13  4  1  0  0  0  0
 14  9  1  0  0  0  0
 15  9  2  0  0  0  0
 16 10  2  0  0  0  0
 17 10  1  0  0  0  0
 18 11  1  0  0  0  0
 19 11  2  0  0  0  0
 20 12  2  0  0  0  0
 21 20  1  0  0  0  0
 22 19  1  0  0  0  0
 23 16  1  0  0  0  0
 24 17  2  0  0  0  0
 25 14  2  0  0  0  0
 26 15  1  0  0  0  0
 27 18  2  0  0  0  0
 28 26  2  0  0  0  0
 29 24  1  0  0  0  0
 30 22  2  0  0  0  0
 21 13  2  0  0  0  0
 28 25  1  0  0  0  0
 30 27  1  0  0  0  0
 29 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,905)
1905

>  <Formula> (1,905)
C27H24N2O

>  <MolWeight> (1,905)
392.49226

>  <COMPOUND_NAME> (1,905)
WAY-641879

>  <BAR_CODE_NO> (1,905)
90476432

$$$$
WAY-278451
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
    0.5931   -0.7169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4655   -0.7169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1103   -1.6584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1310    0.1831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9966    0.1831    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9966   -1.6584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1552   -1.6929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1966    0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0483    0.1624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7207   -0.7928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5517    1.0624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5724   -0.7584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7897   -0.8204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6172    1.0831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6345   -0.7376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3379    0.0796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1552    0.1624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4000    0.0451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8310    1.0279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2103    0.1624    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.9379    0.9589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3621    1.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1897    1.1451    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2172   -0.8757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3379    0.1831    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4276    1.9072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  7 10  2  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 17  2  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  2  0  0  0  0
 20 23  1  0  0  0  0
 20 24  2  0  0  0  0
 20 25  2  0  0  0  0
 21 26  2  0  0  0  0
  8 10  1  0  0  0  0
 15 17  1  0  0  0  0
 22 26  1  0  0  0  0
M  END
>  <Mol_ID> (1,906)
1906

>  <Formula> (1,906)
C19H16N2O4S

>  <MolWeight> (1,906)
368.40634

>  <COMPOUND_NAME> (1,906)
WAY-278451

>  <BAR_CODE_NO> (1,906)
389106

$$$$
WAY-641880
csChFnd80/06171916322D

 30 32  0  0  0  0  0  0  0  0999 V2000
    2.5167    4.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0917    1.6250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5167    3.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042    2.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3375    0.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042    2.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0500   -0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0917    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792    2.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0500    0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3375   -0.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6917    4.0917    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3417    4.0917    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.5167    4.9167    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7625   -0.8500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3375    1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792    0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4833   -4.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4833   -2.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7625   -4.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1958   -4.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1958   -3.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7625   -3.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7625   -1.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4833   -5.3875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2375    2.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5167    1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2375    2.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4833   -2.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7625   -5.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  1  0  0  0  0
  4  6  2  0  0  0  0
  5 16  1  0  0  0  0
  6  3  1  0  0  0  0
  7 10  1  0  0  0  0
  8  2  1  0  0  0  0
  9  2  1  0  0  0  0
 10  5  1  0  0  0  0
 11  7  2  0  0  0  0
 12  1  1  0  0  0  0
 13  1  1  0  0  0  0
 14  1  1  0  0  0  0
 15  7  1  0  0  0  0
 16  9  1  0  0  0  0
 17  8  1  0  0  0  0
 18 20  1  0  0  0  0
 19 29  1  0  0  0  0
 20 23  2  0  0  0  0
 21 22  1  0  0  0  0
 22 19  2  0  0  0  0
 23 19  1  0  0  0  0
 24 15  1  0  0  0  0
 25 18  1  0  0  0  0
 26  3  2  0  0  0  0
 27 28  2  0  0  0  0
 28 26  1  0  0  0  0
 29 24  1  0  0  0  0
 30 25  1  0  0  0  0
 27  4  1  0  0  0  0
 17  5  1  0  0  0  0
 18 21  2  0  0  0  0
M  END
>  <Mol_ID> (1,907)
1907

>  <Formula> (1,907)
C22H26F3N3O2

>  <MolWeight> (1,907)
421.4559496

>  <COMPOUND_NAME> (1,907)
WAY-641880

>  <BAR_CODE_NO> (1,907)
90476433

$$$$
WAY-330906
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
  -10.3042    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2417    9.6917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8167    8.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4417    6.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8167   10.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4417    8.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8167    5.7333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3042   10.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8167    4.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8125    6.8917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0458    5.7333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4417    3.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8208    9.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4417   11.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0458    8.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0750    4.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0458   10.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.2042    8.3208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1875    3.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4417    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.6167    8.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6833    3.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0000    9.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1875    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8167    0.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  6  1  0  0  0  0
  5  3  1  0  0  0  0
  6  3  2  0  0  0  0
  7  4  1  0  0  0  0
  8  2  1  0  0  0  0
  9  7  1  0  0  0  0
 10  1  2  0  0  0  0
 11  4  2  0  0  0  0
 12  9  2  0  0  0  0
 13  2  1  0  0  0  0
 14  5  2  0  0  0  0
 15  6  1  0  0  0  0
 16 12  1  0  0  0  0
 17 15  2  0  0  0  0
 18 21  1  0  0  0  0
 19  9  1  0  0  0  0
 20 12  1  0  0  0  0
 21 13  1  0  0  0  0
 22 16  1  0  0  0  0
 23 18  1  0  0  0  0
 24 19  2  0  0  0  0
 25 24  1  0  0  0  0
  8  5  1  0  0  0  0
 17 14  1  0  0  0  0
 25 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,908)
1908

>  <Formula> (1,908)
C19H20N2O4

>  <MolWeight> (1,908)
340.3731

>  <COMPOUND_NAME> (1,908)
WAY-330906

>  <BAR_CODE_NO> (1,908)
305907

$$$$
WAY-643157
csChFnd80/06171916322D

 35 39  0  0  0  0  0  0  0  0999 V2000
    1.6792    0.9208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0542    2.2500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.5458   -2.3292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4375    1.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4792    0.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7292    1.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0583   -1.6417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667    0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167    2.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542    0.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208   -0.3042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0208   -3.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458   -2.8167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2333   -1.8417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458   -1.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4125   -0.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.2958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6417    1.5958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167    3.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292   -1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9375   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7500    2.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1500    1.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0375    3.9583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8375   -2.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6708   -3.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7542    3.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1458   -4.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3125   -3.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9625   -4.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5875    2.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542    3.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4375   -5.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1375    2.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333    3.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  7  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7 16  1  0  0  0  0
  8  1  1  0  0  0  0
  9  2  1  0  0  0  0
 10  8  1  0  0  0  0
 11 10  1  0  0  0  0
 12  3  1  0  0  0  0
 13  3  2  0  0  0  0
 14  3  2  0  0  0  0
 15 20  1  0  0  0  0
 16 21  1  0  0  0  0
 17  5  2  0  0  0  0
 18  4  2  0  0  0  0
 19  9  2  0  0  0  0
 20 11  1  0  0  0  0
 21 11  1  0  0  0  0
 22  2  1  0  0  0  0
 23 10  2  0  0  0  0
 24 27  1  0  0  0  0
 25 12  2  0  0  0  0
 26 12  1  0  0  0  0
 27 22  1  0  0  0  0
 28 26  2  0  0  0  0
 29 25  1  0  0  0  0
 30 28  1  0  0  0  0
 31  9  1  0  0  0  0
 32 19  1  0  0  0  0
 33 30  1  0  0  0  0
 34 31  2  0  0  0  0
 35 34  1  0  0  0  0
  2  6  1  0  0  0  0
 15  7  1  0  0  0  0
 24 19  1  0  0  0  0
 35 32  2  0  0  0  0
 30 29  2  0  0  0  0
M  END
>  <Mol_ID> (1,909)
1909

>  <Formula> (1,909)
C24H26N4O6S

>  <MolWeight> (1,909)
498.55144

>  <COMPOUND_NAME> (1,909)
WAY-643157

>  <BAR_CODE_NO> (1,909)
90477727

$$$$
WAY-663009
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -1.2583   -0.6917    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.5458   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9750   -1.1042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667   -0.6917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.1333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9750    0.5458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6875   -0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2583    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3125    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6875    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458   -1.9292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000   -0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3125    1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0292    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7417    1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0292    1.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7417    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4542    1.7833    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4083   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4083    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1208   -0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1208    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5 14  1  0  0  0  0
  6  8  1  0  0  0  0
  7  3  1  0  0  0  0
  8  1  1  0  0  0  0
  9  5  1  0  0  0  0
 10  6  1  0  0  0  0
 11  4  1  0  0  0  0
 12  4  1  0  0  0  0
 13  2  2  0  0  0  0
 14 12  1  0  0  0  0
 15 11  1  0  0  0  0
 16  9  1  0  0  0  0
 17  9  2  0  0  0  0
 18 20  2  0  0  0  0
 19 16  2  0  0  0  0
 20 17  1  0  0  0  0
 21 18  1  0  0  0  0
 22  7  1  0  0  0  0
 23 10  1  0  0  0  0
 24 22  2  0  0  0  0
 25 23  2  0  0  0  0
 10  7  2  0  0  0  0
  5 15  1  0  0  0  0
 24 25  1  0  0  0  0
 19 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,910)
1910

>  <Formula> (1,910)
C19H19FN2O3

>  <MolWeight> (1,910)
342.3641632

>  <COMPOUND_NAME> (1,910)
WAY-663009

>  <BAR_CODE_NO> (1,910)
90497756

$$$$
WAY-642744
csChFnd80/06171916322D

 34 37  0  0  0  0  0  0  0  0999 V2000
    2.5625    1.0208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5625    1.8458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1292   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5625    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167   -1.0417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8417   -1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0125   -1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708   -1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8417   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3875    1.0208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7375    1.0208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7250   -1.4542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458   -1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1292   -2.2792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833   -1.4542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    0.1958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0125   -0.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5625    3.4958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2750    2.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8417    2.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2750   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5625   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8417    3.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2750    3.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2750   -1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2958   -1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2958   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1292    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  6  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  9  2  0  0  0  0
  7 13  1  0  0  0  0
  8 12  1  0  0  0  0
  9  4  1  0  0  0  0
 10  1  2  0  0  0  0
 11  1  2  0  0  0  0
 12 16  2  0  0  0  0
 13  5  1  0  0  0  0
 14  7  1  0  0  0  0
 15 22  1  0  0  0  0
 16 14  1  0  0  0  0
 17  3  2  0  0  0  0
 18  8  1  0  0  0  0
 19 15  1  0  0  0  0
 20  7  2  0  0  0  0
 21 29  1  0  0  0  0
 22 25  2  0  0  0  0
 23  2  1  0  0  0  0
 24  2  1  0  0  0  0
 25 16  1  0  0  0  0
 26  4  2  0  0  0  0
 27  5  1  0  0  0  0
 28 31  2  0  0  0  0
 29 24  1  0  0  0  0
 30 23  1  0  0  0  0
 31 26  1  0  0  0  0
 32 18  1  0  0  0  0
 33 19  1  0  0  0  0
 34 27  1  0  0  0  0
 21 30  1  0  0  0  0
 28  6  1  0  0  0  0
 15  8  2  0  0  0  0
 32 33  1  0  0  0  0
M  END
>  <Mol_ID> (1,911)
1911

>  <Formula> (1,911)
C23H27N3O7S

>  <MolWeight> (1,911)
489.54138

>  <COMPOUND_NAME> (1,911)
WAY-642744

>  <BAR_CODE_NO> (1,911)
90477307

$$$$
WAY-643282
csChFnd80/06171916322D

 29 33  0  0  0  0  0  0  0  0999 V2000
   -2.1333    1.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6458    2.4958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9208    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1333    3.1708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0417   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0375   -1.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2250   -0.8667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8750    1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1917   -1.8167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083   -0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9208    2.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1292   -2.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5792   -1.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1167   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0708    0.8708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6167   -0.3917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2417   -2.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7542   -2.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5917   -1.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4333    0.4333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5500    0.5333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6125   -1.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3250   -2.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7875   -2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8208    0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6333    1.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6333    3.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3458    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3458    2.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8  1  1  0  0  0  0
  9  5  1  0  0  0  0
 10 25  1  0  0  0  0
 11  3  2  0  0  0  0
 12 17  1  0  0  0  0
 13 19  1  0  0  0  0
 14 18  1  0  0  0  0
 15  8  1  0  0  0  0
 16  5  2  0  0  0  0
 17  6  1  0  0  0  0
 18  6  1  0  0  0  0
 19  6  1  0  0  0  0
 20  8  2  0  0  0  0
 21 10  2  0  0  0  0
 22 14  1  0  0  0  0
 23 13  1  0  0  0  0
 24 13  1  0  0  0  0
 25 15  1  0  0  0  0
 26  3  1  0  0  0  0
 27 11  1  0  0  0  0
 28 26  2  0  0  0  0
 29 28  1  0  0  0  0
 11  4  1  0  0  0  0
 29 27  2  0  0  0  0
 24 12  1  0  0  0  0
 14 23  1  0  0  0  0
 22 12  1  0  0  0  0
M  END
>  <Mol_ID> (1,912)
1912

>  <Formula> (1,912)
C21H24N4O4

>  <MolWeight> (1,912)
396.43966

>  <COMPOUND_NAME> (1,912)
WAY-643282

>  <BAR_CODE_NO> (1,912)
90477853

$$$$
WAY-623714
csChFnd80/06171916322D

 14 15  0  0  0  0  0  0  0  0999 V2000
    1.2167   -0.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042   -0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042    0.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083    0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208   -0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208    0.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042   -1.5875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9375   -0.7625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6333    0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6333   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9375    0.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3500    0.8875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  3  1  0  0  0  0
  8  6  1  0  0  0  0
  9  2  2  0  0  0  0
 10  1  1  0  0  0  0
 11  8  2  0  0  0  0
 12  7  2  0  0  0  0
 13  5  1  0  0  0  0
 14 11  1  0  0  0  0
  3  6  2  0  0  0  0
 12 11  1  0  0  0  0
M  END
>  <Mol_ID> (1,913)
1913

>  <Formula> (1,913)
C9H8ClN3O

>  <MolWeight> (1,913)
209.63232

>  <COMPOUND_NAME> (1,913)
WAY-623714

>  <BAR_CODE_NO> (1,913)
90457883

$$$$
WAY-330595
csChFnd80/06171916322D

 33 36  0  0  0  0  0  0  0  0999 V2000
    3.7750   -3.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2750   -3.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2500   -2.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0625   -3.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0417   -2.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3000   -3.2917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4750   -3.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2125   -4.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7875   -4.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9167   -3.6042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4917   -3.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9500   -3.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6417   -4.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7542   -2.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3417   -3.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0292   -4.7042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9792   -1.7875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0625   -3.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5292   -2.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5542   -3.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7000   -2.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0500   -2.5917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2250   -4.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4875   -2.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6417   -4.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0750   -4.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0750   -4.0250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3292   -2.7542    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.3667   -5.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7917   -5.2167    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000   -4.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000   -5.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6 21  1  0  0  0  0
  7  6  1  0  0  0  0
  8 11  1  0  0  0  0
  9  4  2  0  0  0  0
 10  8  1  0  0  0  0
 11  9  1  0  0  0  0
 12  1  1  0  0  0  0
 13 10  1  0  0  0  0
 14  5  2  0  0  0  0
 15 13  1  0  0  0  0
 16  2  2  0  0  0  0
 17  3  2  0  0  0  0
 18 15  2  0  0  0  0
 19 12  1  0  0  0  0
 20 12  1  0  0  0  0
 21 20  1  0  0  0  0
 22 19  1  0  0  0  0
 23  7  2  0  0  0  0
 24  8  2  0  0  0  0
 25 14  1  0  0  0  0
 26 13  2  0  0  0  0
 27 30  2  0  0  0  0
 28  7  1  0  0  0  0
 29 15  1  0  0  0  0
 30 26  1  0  0  0  0
 31 27  1  0  0  0  0
 32 28  1  0  0  0  0
 33 32  1  0  0  0  0
  4  5  1  0  0  0  0
 22  6  1  0  0  0  0
 11 25  2  0  0  0  0
 18 27  1  0  0  0  0
M  END
>  <Mol_ID> (1,914)
1914

>  <Formula> (1,914)
C23H21F2N3O5

>  <MolWeight> (1,914)
457.4267464

>  <COMPOUND_NAME> (1,914)
WAY-330595

>  <BAR_CODE_NO> (1,914)
305596

$$$$
WAY-330932
csChFnd80/06171916322D

 32 35  0  0  0  0  0  0  0  0999 V2000
    9.4000   -3.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6875   -3.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1292   -4.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9042   -4.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2625   -5.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2167   -4.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5917   -0.0167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9917    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0167   -5.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7792   -5.4417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3167   -2.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5292   -2.5792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6542   -1.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6042   -2.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3125   -0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2500   -1.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9042   -3.5750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3875    1.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7792   -6.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1917    0.6708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2708   -6.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7792   -9.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6667   -7.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9042   -7.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6667   -8.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9042   -8.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0167   -6.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1500   -7.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8000   -0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917  -10.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6667  -11.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  9  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7 16  1  0  0  0  0
  8  7  1  0  0  0  0
  9  3  2  0  0  0  0
 10  4  1  0  0  0  0
 11  2  1  0  0  0  0
 12  1  2  0  0  0  0
 13 11  1  0  0  0  0
 14 11  1  0  0  0  0
 15 13  1  0  0  0  0
 16 14  1  0  0  0  0
 17  4  2  0  0  0  0
 18  8  2  0  0  0  0
 19 10  1  0  0  0  0
 20  8  1  0  0  0  0
 21  5  2  0  0  0  0
 22 26  1  0  0  0  0
 23 19  2  0  0  0  0
 24 19  1  0  0  0  0
 25 23  1  0  0  0  0
 26 24  2  0  0  0  0
 27  9  1  0  0  0  0
 28 27  2  0  0  0  0
 29 20  1  0  0  0  0
 30 22  1  0  0  0  0
 31 30  1  0  0  0  0
 32 29  1  0  0  0  0
  6  5  1  0  0  0  0
 28 21  1  0  0  0  0
 15  7  1  0  0  0  0
 22 25  2  0  0  0  0
M  END
>  <Mol_ID> (1,915)
1915

>  <Formula> (1,915)
C25H29N3O4

>  <MolWeight> (1,915)
435.51546

>  <COMPOUND_NAME> (1,915)
WAY-330932

>  <BAR_CODE_NO> (1,915)
305933

$$$$
WAY-332972
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -3.1833    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1833    2.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5833    1.5250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8250    1.4458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5833    2.1958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8208    1.8625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4625    2.0708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8250    2.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4625    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0958    2.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3750    2.2708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7208    1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8250    2.6958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7375    1.6458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1333    1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9458    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4083    1.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2583    0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8083    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6625    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3833    2.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3583    0.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208    2.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583    2.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583    2.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  9  1  0  0  0  0
  8  2  1  0  0  0  0
  9  4  2  0  0  0  0
 10 11  1  0  0  0  0
 11  7  1  0  0  0  0
 12 10  1  0  0  0  0
 13  3  1  0  0  0  0
 14  8  2  0  0  0  0
 15 10  2  0  0  0  0
 16 13  1  0  0  0  0
 17 21  1  0  0  0  0
 18 16  2  0  0  0  0
 19 16  1  0  0  0  0
 20 18  1  0  0  0  0
 21 19  2  0  0  0  0
 22 12  1  0  0  0  0
 23 12  1  0  0  0  0
 24 17  1  0  0  0  0
 25 23  1  0  0  0  0
 26 22  1  0  0  0  0
 27 25  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
 20 17  2  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (1,916)
1916

>  <Formula> (1,916)
C19H22N6O2

>  <MolWeight> (1,916)
366.41698

>  <COMPOUND_NAME> (1,916)
WAY-332972

>  <BAR_CODE_NO> (1,916)
307973

$$$$
WAY-333021
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -3.1833    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1833    2.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5833    1.5250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8208    1.8625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5833    2.1958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8250    1.4458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4625    2.0708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8250    2.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4625    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0958    2.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3750    2.2708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7333    1.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8250    2.6958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7375    1.6458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4708    0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1458    1.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0458    0.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6250    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2958    0.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2875    2.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0125    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2083   -0.0250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6208   -0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8750    2.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7083    2.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  9  1  0  0  0  0
  8  2  1  0  0  0  0
  9  6  2  0  0  0  0
 10 11  1  0  0  0  0
 11  7  1  0  0  0  0
 12 10  1  0  0  0  0
 13  3  1  0  0  0  0
 14  8  2  0  0  0  0
 15 10  2  0  0  0  0
 16 13  1  0  0  0  0
 17 13  2  0  0  0  0
 18 20  2  0  0  0  0
 19 16  2  0  0  0  0
 20 17  1  0  0  0  0
 21 12  1  0  0  0  0
 22 12  1  0  0  0  0
 23 18  1  0  0  0  0
 24 23  1  0  0  0  0
 25 21  1  0  0  0  0
 26 22  1  0  0  0  0
  7  8  1  0  0  0  0
  5  4  2  0  0  0  0
 18 19  1  0  0  0  0
 26 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,917)
1917

>  <Formula> (1,917)
C17H18N6O3

>  <MolWeight> (1,917)
354.36322

>  <COMPOUND_NAME> (1,917)
WAY-333021

>  <BAR_CODE_NO> (1,917)
308022

$$$$
WAY-332804
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
    6.4792    0.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0792   -0.8125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7417   -0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4042   -0.3250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9042   -1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6542    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1125   -0.9625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9542    1.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1000   -2.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5292   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0542   -1.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5042   -0.6375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9000   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5417   -1.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5917    1.8958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8917   -2.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1125    0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7417   -1.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7792    1.0875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7625   -2.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3292   -2.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6792   -2.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6542   -3.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1292   -1.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7417   -2.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3125   -2.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0167   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  2  0  0  0  0
  4  6  2  0  0  0  0
  5  7  1  0  0  0  0
  6  1  1  0  0  0  0
  7 14  1  0  0  0  0
  8  1  1  0  0  0  0
  9  5  1  0  0  0  0
 10  3  1  0  0  0  0
 11  2  1  0  0  0  0
 12  5  2  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 15  8  2  0  0  0  0
 16  9  1  0  0  0  0
 17 10  1  0  0  0  0
 18 10  1  0  0  0  0
 19  8  1  0  0  0  0
 20 11  1  0  0  0  0
 21 11  2  0  0  0  0
 22 16  1  0  0  0  0
 23 16  1  0  0  0  0
 24 16  1  0  0  0  0
 25 20  2  0  0  0  0
 26 21  1  0  0  0  0
 27 26  2  0  0  0  0
  4  2  1  0  0  0  0
  7 13  1  0  0  0  0
 27 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,918)
1918

>  <Formula> (1,918)
C20H25N3O4

>  <MolWeight> (1,918)
371.4302

>  <COMPOUND_NAME> (1,918)
WAY-332804

>  <BAR_CODE_NO> (1,918)
307805

$$$$
WAY-623687
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -2.9958    1.3958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2833    1.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7083    1.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9958    3.0458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5625    1.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8500    1.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2833    2.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333    1.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4208    1.3958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042   -2.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8500    2.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792    0.1583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7083    2.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333   -1.0792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5625    3.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792    1.8083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7250   -3.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4375   -2.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917   -1.9042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7250   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042   -3.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4375   -3.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7250   -4.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1542   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4 14  1  0  0  0  0
  5  2  1  0  0  0  0
  6  5  2  0  0  0  0
  7  2  2  0  0  0  0
  8  6  1  0  0  0  0
  9 13  1  0  0  0  0
 10  3  2  0  0  0  0
 11 21  1  0  0  0  0
 12 17  2  0  0  0  0
 13 15  1  0  0  0  0
 14  3  1  0  0  0  0
 15  8  1  0  0  0  0
 16  9  2  0  0  0  0
 17  7  1  0  0  0  0
 18  8  2  0  0  0  0
 19 23  2  0  0  0  0
 20 22  1  0  0  0  0
 21 25  1  0  0  0  0
 22 11  2  0  0  0  0
 23 11  1  0  0  0  0
 24 19  1  0  0  0  0
 25  9  1  0  0  0  0
 26 19  1  0  0  0  0
 27 20  1  0  0  0  0
  4  7  1  0  0  0  0
 12  6  1  0  0  0  0
 20 24  2  0  0  0  0
M  END
>  <Mol_ID> (1,919)
1919

>  <Formula> (1,919)
C20H19NO6

>  <MolWeight> (1,919)
369.36796

>  <COMPOUND_NAME> (1,919)
WAY-623687

>  <BAR_CODE_NO> (1,919)
90457856

$$$$
WAY-624136
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -0.3583   -1.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542   -2.0750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542   -2.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583   -3.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0750   -2.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0750   -2.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583    3.2958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583   -0.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542    2.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583    4.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667    4.1042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542    2.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667    1.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667    3.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667    0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542   -0.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583   -4.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0750   -0.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0750    4.5167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792    2.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542    4.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792    2.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792    0.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667   -3.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7875   -1.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7875   -3.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792   -2.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5083   -2.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5083   -2.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  6  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  2  0  0  0  0
  7  9  1  0  0  0  0
  8  1  1  0  0  0  0
  9 12  1  0  0  0  0
 10  7  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 13 15  1  0  0  0  0
 14 23  1  0  0  0  0
 15 19  1  0  0  0  0
 16  8  1  0  0  0  0
 17  4  2  0  0  0  0
 18  8  2  0  0  0  0
 19 16  1  0  0  0  0
 20 10  2  0  0  0  0
 21 13  1  0  0  0  0
 22 11  1  0  0  0  0
 23 21  2  0  0  0  0
 24 15  2  0  0  0  0
 25  3  1  0  0  0  0
 26  5  1  0  0  0  0
 27  6  1  0  0  0  0
 28 25  1  0  0  0  0
 29 26  2  0  0  0  0
 30 29  1  0  0  0  0
  4  3  1  0  0  0  0
 30 27  2  0  0  0  0
 14  9  2  0  0  0  0
 10 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,920)
1920

>  <Formula> (1,920)
C21H17N3O6

>  <MolWeight> (1,920)
407.37618

>  <COMPOUND_NAME> (1,920)
WAY-624136

>  <BAR_CODE_NO> (1,920)
90458311

$$$$
WAY-330796
csChFnd80/06171916322D

 21 22  0  0  0  0  0  0  0  0999 V2000
   12.0500   -4.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4000   -3.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6750   -2.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5000   -2.8375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5000   -1.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3750   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0208   -5.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.9000   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3250   -2.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3500   -4.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0500   -6.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0000   -4.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0000   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -2.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3500   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3000   -4.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0125   -2.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3625   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9750   -2.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0500   -0.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3250   -0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  3  1  0  0  0  0
  9 12  1  0  0  0  0
 10  7  1  0  0  0  0
 11  6  2  0  0  0  0
 12 10  2  0  0  0  0
 13 15  1  0  0  0  0
 14  8  2  0  0  0  0
 15 17  2  0  0  0  0
 16  2  1  0  0  0  0
 17 10  1  0  0  0  0
 18  5  1  0  0  0  0
 19  9  1  0  0  0  0
 20  8  1  0  0  0  0
 21 13  1  0  0  0  0
  3  5  2  0  0  0  0
 13  9  2  0  0  0  0
M  END
>  <Mol_ID> (1,921)
1921

>  <Formula> (1,921)
C17H20N2O2

>  <MolWeight> (1,921)
284.3529

>  <COMPOUND_NAME> (1,921)
WAY-330796

>  <BAR_CODE_NO> (1,921)
305797

$$$$
WAY-330795
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
   12.0500   -4.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4000   -3.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5000   -2.8375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.6750   -2.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5000   -1.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3750   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0208   -5.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4125   -5.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4625   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9000   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7750   -4.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0500   -6.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7750   -6.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3375   -6.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3375   -4.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0875   -4.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0875   -6.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -2.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4500   -6.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4500   -4.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3000   -4.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3625   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9000   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8250   -2.9750    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   15.0500   -0.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000   -7.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8 16  1  0  0  0  0
  9  8  1  0  0  0  0
 10  4  1  0  0  0  0
 11  9  2  0  0  0  0
 12  6  2  0  0  0  0
 13  9  1  0  0  0  0
 14  7  1  0  0  0  0
 15  7  1  0  0  0  0
 16 15  1  0  0  0  0
 17 14  1  0  0  0  0
 18 10  2  0  0  0  0
 19 13  2  0  0  0  0
 20 11  1  0  0  0  0
 21  2  1  0  0  0  0
 22  5  1  0  0  0  0
 23 19  1  0  0  0  0
 24 20  1  0  0  0  0
 25 10  1  0  0  0  0
 26 13  1  0  0  0  0
  4  5  2  0  0  0  0
 17  8  1  0  0  0  0
 23 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,922)
1922

>  <Formula> (1,922)
C20H24ClN3O2

>  <MolWeight> (1,922)
373.87646

>  <COMPOUND_NAME> (1,922)
WAY-330795

>  <BAR_CODE_NO> (1,922)
305796

$$$$
WAY-332711
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
    7.2500  -11.7625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0667  -10.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7000  -10.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5125  -11.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7000  -13.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2500   -6.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0667  -13.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6250   -6.1125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0667   -7.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5481   -4.6967    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2500   -8.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8042   -7.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3625   -6.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5125   -8.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1750   -7.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0667   -4.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7000   -7.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1417  -11.7625    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.5125  -14.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2500  -14.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3625   -8.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6250   -8.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7000  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0667  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1750  -10.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8042  -10.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  5  2  0  0  0  0
  5  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  1  2  0  0  0  0
  8  6  1  0  0  0  0
  9 11  1  0  0  0  0
 10 13  3  0  0  0  0
 11  2  2  0  0  0  0
 12  8  1  0  0  0  0
 13 15  1  0  0  0  0
 14  3  2  0  0  0  0
 15 12  2  0  0  0  0
 16  6  2  0  0  0  0
 17  9  2  0  0  0  0
 18  4  1  0  0  0  0
 19  5  1  0  0  0  0
 20  7  1  0  0  0  0
 21 15  1  0  0  0  0
 22 12  1  0  0  0  0
 23 24  1  0  0  0  0
 24 20  1  0  0  0  0
 25 26  1  0  0  0  0
 26 22  2  0  0  0  0
  3  4  1  0  0  0  0
 19 23  1  0  0  0  0
 17 14  1  0  0  0  0
 21 25  2  0  0  0  0
M  END
>  <Mol_ID> (1,923)
1923

>  <Formula> (1,923)
C21H16ClN3O

>  <MolWeight> (1,923)
361.82424

>  <COMPOUND_NAME> (1,923)
WAY-332711

>  <BAR_CODE_NO> (1,923)
307712

$$$$
WAY-329007
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   10.0417   -7.7417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3000   -5.3500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.5417   -3.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2292   -8.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0042   -8.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0042  -11.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0417   -1.4792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6167   -4.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8000   -6.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2792   -4.5250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9917  -12.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7375  -11.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9417  -11.2667    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2750    0.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6250   -3.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0667  -12.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9917  -14.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5250    2.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9542   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0667  -14.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0042  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3500    3.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7750    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7  3  1  0  0  0  0
  8  2  1  0  0  0  0
  9  4  1  0  0  0  0
 10  3  2  0  0  0  0
 11  6  1  0  0  0  0
 12  4  2  0  0  0  0
 13 11  1  0  0  0  0
 14  7  1  0  0  0  0
 15  2  1  0  0  0  0
 16  6  2  0  0  0  0
 17 11  2  0  0  0  0
 18 14  1  0  0  0  0
 19 14  1  0  0  0  0
 20 16  1  0  0  0  0
 21 20  2  0  0  0  0
 22 18  1  0  0  0  0
 23 19  1  0  0  0  0
  8  9  1  0  0  0  0
 21 17  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,924)
1924

>  <Formula> (1,924)
C18H23ClN2O2

>  <MolWeight> (1,924)
334.84042

>  <COMPOUND_NAME> (1,924)
WAY-329007

>  <BAR_CODE_NO> (1,924)
304008

$$$$
WAY-334004
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -3.3208    3.3833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0500    3.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1458    2.4958    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9583    2.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8750    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4583    2.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    3.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333    1.0833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3333    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708    1.8583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2083    2.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2958    3.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3750    4.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0375   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0708    0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4958   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8208    4.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9083    5.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5208    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6333    4.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2333   -0.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5 10  1  0  0  0  0
  6  4  2  0  0  0  0
  7  2  1  0  0  0  0
  8  5  2  0  0  0  0
  9  5  1  0  0  0  0
 10 12  1  0  0  0  0
 11  4  1  0  0  0  0
 12 11  1  0  0  0  0
 13  7  1  0  0  0  0
 14  7  2  0  0  0  0
 15  9  1  0  0  0  0
 16  9  2  0  0  0  0
 17 15  2  0  0  0  0
 18 13  2  0  0  0  0
 19 14  1  0  0  0  0
 20 16  1  0  0  0  0
 21 19  2  0  0  0  0
 22 20  2  0  0  0  0
  6  3  1  0  0  0  0
 21 18  1  0  0  0  0
 17 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,925)
1925

>  <Formula> (1,925)
C18H16N2OS

>  <MolWeight> (1,925)
308.39744

>  <COMPOUND_NAME> (1,925)
WAY-334004

>  <BAR_CODE_NO> (1,925)
309005

$$$$
WAY-334003
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -3.3208    3.3833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0500    3.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1458    2.4958    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9583    2.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8750    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4583    2.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3333    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    3.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0750    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333    1.0833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708    1.8583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2083    2.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5250    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2750    0.1500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.0375   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4958   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3750    4.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2958    3.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2375   -0.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9083    5.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8208    4.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6333    4.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5 11  1  0  0  0  0
  6  4  2  0  0  0  0
  7  5  1  0  0  0  0
  8  2  1  0  0  0  0
  9  7  2  0  0  0  0
 10  5  2  0  0  0  0
 11 14  1  0  0  0  0
 12  4  1  0  0  0  0
 13  9  1  0  0  0  0
 14 12  1  0  0  0  0
 15 13  1  0  0  0  0
 16  7  1  0  0  0  0
 17 16  2  0  0  0  0
 18  8  2  0  0  0  0
 19  8  1  0  0  0  0
 20 17  1  0  0  0  0
 21 18  1  0  0  0  0
 22 19  2  0  0  0  0
 23 22  1  0  0  0  0
  6  3  1  0  0  0  0
 23 21  2  0  0  0  0
 20 13  2  0  0  0  0
M  END
>  <Mol_ID> (1,926)
1926

>  <Formula> (1,926)
C18H15ClN2OS

>  <MolWeight> (1,926)
342.8425

>  <COMPOUND_NAME> (1,926)
WAY-334003

>  <BAR_CODE_NO> (1,926)
309004

$$$$
WAY-333988
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.2083    2.9708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2583    3.1458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0833    3.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3333    2.3500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    2.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6583    1.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3500    2.3583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7625    3.5833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000    3.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8125    2.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    3.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2125    2.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6083    2.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167    4.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1875    3.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3833    3.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2458    4.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292    4.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8750    4.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7333    5.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792    3.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5500    5.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042    4.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  2  2  0  0  0  0
  4  6  1  0  0  0  0
  5 12  1  0  0  0  0
  6  5  2  0  0  0  0
  7  1  2  0  0  0  0
  8  1  2  0  0  0  0
  9  1  1  0  0  0  0
 10  1  1  0  0  0  0
 11  3  1  0  0  0  0
 12 13  1  0  0  0  0
 13 10  1  0  0  0  0
 14  9  1  0  0  0  0
 15  9  2  0  0  0  0
 16 11  1  0  0  0  0
 17 11  2  0  0  0  0
 18 14  2  0  0  0  0
 19 16  2  0  0  0  0
 20 17  1  0  0  0  0
 21 15  1  0  0  0  0
 22 20  2  0  0  0  0
 23 21  2  0  0  0  0
 18 23  1  0  0  0  0
  4  3  1  0  0  0  0
 22 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,927)
1927

>  <Formula> (1,927)
C17H16N2O2S2

>  <MolWeight> (1,927)
344.45114

>  <COMPOUND_NAME> (1,927)
WAY-333988

>  <BAR_CODE_NO> (1,927)
308989

$$$$
WAY-623962
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.4583    1.4083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8125    1.8208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292    0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2250   -0.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8125    0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3250   -0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667   -2.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667   -1.4417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2250    2.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6167   -2.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4375   -3.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1292   -0.4875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958   -2.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167   -3.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3250    3.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333    3.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958   -3.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6667   -4.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667    4.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2875    3.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458   -4.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7375    4.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  4  2  0  0  0  0
  7  5  1  0  0  0  0
  8 11  1  0  0  0  0
  9  7  1  0  0  0  0
 10  2  1  0  0  0  0
 11  9  1  0  0  0  0
 12  8  2  0  0  0  0
 13  7  2  0  0  0  0
 14 12  1  0  0  0  0
 15  8  1  0  0  0  0
 16 10  1  0  0  0  0
 17 10  2  0  0  0  0
 18 12  1  0  0  0  0
 19 15  2  0  0  0  0
 20 16  2  0  0  0  0
 21 17  1  0  0  0  0
 22 19  1  0  0  0  0
 23 21  2  0  0  0  0
  3  6  1  0  0  0  0
 23 20  1  0  0  0  0
 22 18  2  0  0  0  0
M  END
>  <Mol_ID> (1,928)
1928

>  <Formula> (1,928)
C18H15FN2OS

>  <MolWeight> (1,928)
326.3879032

>  <COMPOUND_NAME> (1,928)
WAY-623962

>  <BAR_CODE_NO> (1,928)
90458135

$$$$
WAY-329010
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    2.8167   -8.9750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0292   -6.9875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.5542   -5.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6542   -9.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9667   -3.7042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9792   -6.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0917   -9.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9875   -8.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3500   -6.2792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0667  -11.7292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0917  -11.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8167  -12.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917   -2.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1500   -5.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7875  -14.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5125  -16.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6458  -14.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6250  -12.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0625  -15.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2292  -15.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4625   -2.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6875   -0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1375    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4625   -1.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  4  1  0  0  0  0
  9  3  2  0  0  0  0
 10  4  2  0  0  0  0
 11  7  1  0  0  0  0
 12 11  2  0  0  0  0
 13  5  1  0  0  0  0
 14  2  1  0  0  0  0
 15 12  1  0  0  0  0
 16 15  1  0  0  0  0
 17 18  2  0  0  0  0
 18 11  1  0  0  0  0
 19 17  1  0  0  0  0
 20 16  1  0  0  0  0
 21 13  1  0  0  0  0
 22 13  1  0  0  0  0
 23 22  1  0  0  0  0
 24 21  1  0  0  0  0
  8  6  1  0  0  0  0
 19 15  2  0  0  0  0
 24 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,929)
1929

>  <Formula> (1,929)
C19H26N2O3

>  <MolWeight> (1,929)
330.42134

>  <COMPOUND_NAME> (1,929)
WAY-329010

>  <BAR_CODE_NO> (1,929)
304011

$$$$
WAY-329020
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
    3.0792   -9.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2917   -7.2500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.8500   -5.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8542   -9.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2417   -4.0667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1792   -6.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4042  -10.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1500   -8.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0125   -6.5625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2625  -11.8625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4042  -12.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0667  -13.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167   -2.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3625   -5.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0500  -15.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7042  -16.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958  -14.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708  -13.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3750  -15.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4000  -15.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208   -3.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4625   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0583   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  4  1  0  0  0  0
  9  3  2  0  0  0  0
 10  4  2  0  0  0  0
 11  7  1  0  0  0  0
 12 11  2  0  0  0  0
 13  5  1  0  0  0  0
 14  2  1  0  0  0  0
 15 12  1  0  0  0  0
 16 15  1  0  0  0  0
 17 18  2  0  0  0  0
 18 11  1  0  0  0  0
 19 17  1  0  0  0  0
 20 16  1  0  0  0  0
 21 13  1  0  0  0  0
 22 13  1  0  0  0  0
 23 22  1  0  0  0  0
 24 21  1  0  0  0  0
 25 23  1  0  0  0  0
  8  6  1  0  0  0  0
 19 15  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,930)
1930

>  <Formula> (1,930)
C20H28N2O3

>  <MolWeight> (1,930)
344.44792

>  <COMPOUND_NAME> (1,930)
WAY-329020

>  <BAR_CODE_NO> (1,930)
304021

$$$$
WAY-329034
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
    2.4417   -9.5292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9042   -7.4917    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.5875   -6.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2625  -10.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0500   -4.4625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6750   -7.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8500  -10.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5125   -8.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1500   -6.7042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5750  -11.8750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8500  -12.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250  -13.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -3.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9500   -6.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4042  -15.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9792  -16.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583  -15.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458  -13.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167  -15.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5917  -15.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583   -3.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4417   -1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000    0.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3333   -2.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4625   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  4  1  0  0  0  0
  9  3  2  0  0  0  0
 10  4  2  0  0  0  0
 11  7  1  0  0  0  0
 12 11  2  0  0  0  0
 13  5  1  0  0  0  0
 14  2  1  0  0  0  0
 15 12  1  0  0  0  0
 16 15  1  0  0  0  0
 17 18  2  0  0  0  0
 18 11  1  0  0  0  0
 19 17  1  0  0  0  0
 20 16  1  0  0  0  0
 21 13  1  0  0  0  0
 22 13  1  0  0  0  0
 23 22  1  0  0  0  0
 24 21  1  0  0  0  0
 25 24  1  0  0  0  0
 26 23  1  0  0  0  0
  8  6  1  0  0  0  0
 19 15  2  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (1,931)
1931

>  <Formula> (1,931)
C21H30N2O3

>  <MolWeight> (1,931)
358.4745

>  <COMPOUND_NAME> (1,931)
WAY-329034

>  <BAR_CODE_NO> (1,931)
304035

$$$$
WAY-329036
csChFnd80/06171916322D

 28 30  0  0  0  0  0  0  0  0999 V2000
    3.8875   -9.5292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3417   -7.4917    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.0292   -6.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2917  -10.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7042  -10.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2917  -12.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4917   -4.4625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1167   -7.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7167  -13.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9542   -8.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8667  -13.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917   -6.7042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0167  -11.8750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042  -15.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8542  -15.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917   -3.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3917   -6.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2583  -15.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708  -12.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4292  -16.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4625  -13.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0375  -15.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6875   -3.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8792   -1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2417    0.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8875   -2.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4250    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  3  1  0  0  0  0
  8  2  1  0  0  0  0
  9  6  1  0  0  0  0
 10  5  1  0  0  0  0
 11  6  2  0  0  0  0
 12  3  2  0  0  0  0
 13  5  2  0  0  0  0
 14  9  2  0  0  0  0
 15 11  1  0  0  0  0
 16  7  1  0  0  0  0
 17  2  1  0  0  0  0
 18 15  2  0  0  0  0
 19  9  1  0  0  0  0
 20 15  1  0  0  0  0
 21 19  1  0  0  0  0
 22 20  1  0  0  0  0
 23 16  1  0  0  0  0
 24 16  1  0  0  0  0
 25 24  1  0  0  0  0
 26 23  1  0  0  0  0
 27 26  1  0  0  0  0
 28 25  1  0  0  0  0
 10  8  1  0  0  0  0
 18 14  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (1,932)
1932

>  <Formula> (1,932)
C22H32N2O4

>  <MolWeight> (1,932)
388.50048

>  <COMPOUND_NAME> (1,932)
WAY-329036

>  <BAR_CODE_NO> (1,932)
304037

$$$$
WAY-334011
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -3.3208    3.3833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0500    3.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1458    2.4958    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9583    2.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8750    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4583    2.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3333    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    3.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0750    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333    1.0833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708    1.8583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2083    2.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5250    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2750    0.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0375   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4958   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3750    4.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2958    3.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2375   -0.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7208   -0.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8208    4.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9083    5.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6333    4.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5 11  1  0  0  0  0
  6  4  2  0  0  0  0
  7  5  1  0  0  0  0
  8  2  1  0  0  0  0
  9  7  2  0  0  0  0
 10  5  2  0  0  0  0
 11 14  1  0  0  0  0
 12  4  1  0  0  0  0
 13  9  1  0  0  0  0
 14 12  1  0  0  0  0
 15 13  1  0  0  0  0
 16  7  1  0  0  0  0
 17 16  2  0  0  0  0
 18  8  2  0  0  0  0
 19  8  1  0  0  0  0
 20 17  1  0  0  0  0
 21 15  1  0  0  0  0
 22 19  2  0  0  0  0
 23 18  1  0  0  0  0
 24 22  1  0  0  0  0
  6  3  1  0  0  0  0
 24 23  2  0  0  0  0
 20 13  2  0  0  0  0
M  END
>  <Mol_ID> (1,933)
1933

>  <Formula> (1,933)
C19H18N2O2S

>  <MolWeight> (1,933)
338.42342

>  <COMPOUND_NAME> (1,933)
WAY-334011

>  <BAR_CODE_NO> (1,933)
309012

$$$$
WAY-643887
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -0.9833   -2.0167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9833   -1.1917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9833    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2625    1.6958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667    2.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9833   -2.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4500    2.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1583   -2.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8083   -2.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2625    2.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9833    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6958   -0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2625   -0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4500    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6958    1.6958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667    1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8792    2.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2625    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6958    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2625   -3.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6958   -3.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9833   -4.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2625   -4.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6958   -4.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9833   -5.3167    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.5917    2.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8792    3.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5917    4.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3042    2.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3042    3.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3 11  1  0  0  0  0
  4  3  1  0  0  0  0
  5 16  1  0  0  0  0
  6  1  1  0  0  0  0
  7 10  1  0  0  0  0
  8  1  2  0  0  0  0
  9  1  2  0  0  0  0
 10  4  1  0  0  0  0
 11 18  1  0  0  0  0
 12  2  1  0  0  0  0
 13  2  1  0  0  0  0
 14  4  1  0  0  0  0
 15  3  2  0  0  0  0
 16 14  1  0  0  0  0
 17  5  1  0  0  0  0
 18 13  1  0  0  0  0
 19 12  1  0  0  0  0
 20  6  1  0  0  0  0
 21  6  2  0  0  0  0
 22 24  2  0  0  0  0
 23 20  2  0  0  0  0
 24 21  1  0  0  0  0
 25 22  1  0  0  0  0
 26 17  1  0  0  0  0
 27 17  2  0  0  0  0
 28 27  1  0  0  0  0
 29 26  2  0  0  0  0
 30 28  2  0  0  0  0
 23 22  1  0  0  0  0
 11 19  1  0  0  0  0
  5  7  2  0  0  0  0
 30 29  1  0  0  0  0
M  END
>  <Mol_ID> (1,934)
1934

>  <Formula> (1,934)
C23H25FN2O3S

>  <MolWeight> (1,934)
428.5196032

>  <COMPOUND_NAME> (1,934)
WAY-643887

>  <BAR_CODE_NO> (1,934)
90478461

$$$$
WAY-616403
csChFnd80/06171916322D

 21 24  0  0  0  0  0  0  0  0999 V2000
    0.9833   -0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2708   -0.5083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9833    0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2708    1.1417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458   -0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458    0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7000   -0.5083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1583   -0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1583    1.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8750   -0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8750    0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5875    1.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5875   -0.5083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1292   -1.3333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7000    1.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7000   -1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4125   -0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3042    0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3042   -0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1292   -0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4125   -1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  2  2  0  0  0  0
  6  4  2  0  0  0  0
  7  1  1  0  0  0  0
  8  5  1  0  0  0  0
  9  6  1  0  0  0  0
 10  8  2  0  0  0  0
 11  9  2  0  0  0  0
 12 11  1  0  0  0  0
 13 10  1  0  0  0  0
 14 20  1  0  0  0  0
 15  3  1  0  0  0  0
 16  7  1  0  0  0  0
 17  7  1  0  0  0  0
 18 12  1  0  0  0  0
 19 13  1  0  0  0  0
 20 17  1  0  0  0  0
 21 16  1  0  0  0  0
 21 14  1  0  0  0  0
  6  5  1  0  0  0  0
 11 10  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,935)
1935

>  <Formula> (1,935)
C14H15N3O4

>  <MolWeight> (1,935)
289.2866

>  <COMPOUND_NAME> (1,935)
WAY-616403

>  <BAR_CODE_NO> (1,935)
90450390

$$$$
WAY-332616
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -4.1333    5.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3458    5.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1125    5.2167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5208    6.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7333    4.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3833    5.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9458    6.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1208    7.3417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7458    3.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3333    7.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4583    2.8708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1583    6.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3208    6.6792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0583    2.8958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9375    8.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7583    7.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1458    8.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4583    2.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708    7.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7375    1.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1708    1.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  4  1  0  0  0  0
  9  5  1  0  0  0  0
 10  8  1  0  0  0  0
 11  9  1  0  0  0  0
 12  7  2  0  0  0  0
 13  4  2  0  0  0  0
 14  9  2  0  0  0  0
 15 10  2  0  0  0  0
 16 12  1  0  0  0  0
 17 15  1  0  0  0  0
 18 11  1  0  0  0  0
 19 16  1  0  0  0  0
 20 18  1  0  0  0  0
 21 18  1  0  0  0  0
  5  3  1  0  0  0  0
 10  7  1  0  0  0  0
 17 16  2  0  0  0  0
M  END
>  <Mol_ID> (1,936)
1936

>  <Formula> (1,936)
C16H15NO3S

>  <MolWeight> (1,936)
301.3602

>  <COMPOUND_NAME> (1,936)
WAY-332616

>  <BAR_CODE_NO> (1,936)
307617

$$$$
WAY-332647
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -4.1333    5.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3458    5.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7333    4.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1125    5.2167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5208    6.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3833    5.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9458    6.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1208    7.3417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7458    3.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3333    7.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4583    2.8708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1583    6.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3208    6.6792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0583    2.8958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9375    8.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7583    7.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1458    8.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4583    2.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1833    3.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708    7.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1625    1.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8958    2.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1625    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6167    3.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  6  2  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  3  1  0  0  0  0
 10  8  1  0  0  0  0
 11  9  1  0  0  0  0
 12  7  2  0  0  0  0
 13  5  2  0  0  0  0
 14  9  2  0  0  0  0
 15 10  2  0  0  0  0
 16 12  1  0  0  0  0
 17 15  1  0  0  0  0
 18 11  1  0  0  0  0
 19 11  1  0  0  0  0
 20 16  1  0  0  0  0
 21 18  1  0  0  0  0
 22 19  1  0  0  0  0
 23 21  1  0  0  0  0
 24 22  1  0  0  0  0
  3  4  1  0  0  0  0
 10  7  1  0  0  0  0
 17 16  2  0  0  0  0
M  END
>  <Mol_ID> (1,937)
1937

>  <Formula> (1,937)
C19H21NO3S

>  <MolWeight> (1,937)
343.43994

>  <COMPOUND_NAME> (1,937)
WAY-332647

>  <BAR_CODE_NO> (1,937)
307648

$$$$
WAY-332651
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -4.1333    5.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3458    5.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7333    4.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1125    5.2167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5208    6.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3833    5.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9458    6.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7458    3.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1208    7.3417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4583    2.8708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3333    7.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1583    6.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3208    6.6792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4458    1.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1583    3.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0583    2.8958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9375    8.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7583    7.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1458    8.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9083    1.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8833    2.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708    7.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5208    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7333    1.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5792    3.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9083    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  6  2  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  3  1  0  0  0  0
  9  5  1  0  0  0  0
 10  8  1  0  0  0  0
 11  9  1  0  0  0  0
 12  7  2  0  0  0  0
 13  5  2  0  0  0  0
 14 10  1  0  0  0  0
 15 10  1  0  0  0  0
 16  8  2  0  0  0  0
 17 11  2  0  0  0  0
 18 12  1  0  0  0  0
 19 17  1  0  0  0  0
 20 14  1  0  0  0  0
 21 15  1  0  0  0  0
 22 18  1  0  0  0  0
 23 20  1  0  0  0  0
 24 20  1  0  0  0  0
 25 21  1  0  0  0  0
 26 21  1  0  0  0  0
  3  4  1  0  0  0  0
 11  7  1  0  0  0  0
 19 18  2  0  0  0  0
M  END
>  <Mol_ID> (1,938)
1938

>  <Formula> (1,938)
C21H25NO3S

>  <MolWeight> (1,938)
371.4931

>  <COMPOUND_NAME> (1,938)
WAY-332651

>  <BAR_CODE_NO> (1,938)
307652

$$$$
WAY-643422
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.1417   -2.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792    1.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1417   -3.3875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667    2.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292   -3.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792    2.8625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1125   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292   -2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000    1.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3458   -2.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7375    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000    2.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417   -0.6542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208   -1.0917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1875    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5417    0.5708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208    1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5917   -1.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708   -2.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208    3.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    1.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    2.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 11  1  0  0  0  0
  3 10  2  0  0  0  0
  4  2  2  0  0  0  0
  5  8  1  0  0  0  0
  6  4  1  0  0  0  0
  7  1  1  0  0  0  0
  8  1  2  0  0  0  0
  9  2  1  0  0  0  0
 10  1  1  0  0  0  0
 11 15  1  0  0  0  0
 12  9  2  0  0  0  0
 13  7  1  0  0  0  0
 14  7  2  0  0  0  0
 15 13  1  0  0  0  0
 16 11  2  0  0  0  0
 17  9  1  0  0  0  0
 18  8  1  0  0  0  0
 19 10  1  0  0  0  0
 20 12  1  0  0  0  0
 21 17  2  0  0  0  0
 22 21  1  0  0  0  0
  5  3  1  0  0  0  0
 12  6  1  0  0  0  0
 22 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,939)
1939

>  <Formula> (1,939)
C16H14N2O4

>  <MolWeight> (1,939)
298.29336

>  <COMPOUND_NAME> (1,939)
WAY-643422

>  <BAR_CODE_NO> (1,939)
90477994

$$$$
WAY-624529
csChFnd80/06171916322D

 30 32  0  0  0  0  0  0  0  0999 V2000
    0.0167   -3.9167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167    1.8583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958    2.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7375   -0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7375    0.6208    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0167    1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167   -3.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167   -4.7417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167   -0.6167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8083   -3.9167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417   -3.9167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958    3.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4083    1.8583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4500   -0.6167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7375   -2.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958   -2.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4083    3.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167    3.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167   -1.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7375    2.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958    4.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958   -1.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7375   -1.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4083    4.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167    4.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958    5.5667    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4500    1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4500    1.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958   -5.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7375   -5.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  6  1  0  0  0  0
  3  2  1  0  0  0  0
  4  9  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  1  1  0  0  0  0
  8  1  1  0  0  0  0
  9 19  1  0  0  0  0
 10  1  2  0  0  0  0
 11  1  2  0  0  0  0
 12  3  1  0  0  0  0
 13  3  2  0  0  0  0
 14  4  2  0  0  0  0
 15  7  1  0  0  0  0
 16  7  2  0  0  0  0
 17 12  2  0  0  0  0
 18 12  1  0  0  0  0
 19 22  2  0  0  0  0
 20 28  1  0  0  0  0
 21 25  1  0  0  0  0
 22 16  1  0  0  0  0
 23 15  2  0  0  0  0
 24 17  1  0  0  0  0
 25 18  2  0  0  0  0
 26 21  1  0  0  0  0
 27  5  1  0  0  0  0
 28 27  1  0  0  0  0
 29  8  1  0  0  0  0
 30  8  1  0  0  0  0
 19 23  1  0  0  0  0
 20  2  1  0  0  0  0
 21 24  2  0  0  0  0
M  END
>  <Mol_ID> (1,940)
1940

>  <Formula> (1,940)
C21H24ClN3O4S

>  <MolWeight> (1,940)
449.95096

>  <COMPOUND_NAME> (1,940)
WAY-624529

>  <BAR_CODE_NO> (1,940)
90458705

$$$$
WAY-616400
csChFnd80/06171916322D

 22 25  0  0  0  0  0  0  0  0999 V2000
    0.2417   -0.3458    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.7250   -1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083    0.2708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0500   -0.1708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5417   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417   -1.6792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042    0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5417   -1.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0542    1.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5500   -1.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1125    0.7833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1167    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2583   -0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4958   -2.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0083    2.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2583   -1.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083    1.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9708   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542    2.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3542    2.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9708   -1.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8  7  1  0  0  0  0
  9  5  2  0  0  0  0
 10  3  1  0  0  0  0
 11  2  2  0  0  0  0
 12  7  2  0  0  0  0
 13  3  1  0  0  0  0
 14  5  1  0  0  0  0
 15  6  1  0  0  0  0
 16  8  1  0  0  0  0
 17  9  1  0  0  0  0
 18 10  1  0  0  0  0
 19 14  2  0  0  0  0
 20 16  2  0  0  0  0
 21 18  2  0  0  0  0
 22 19  1  0  0  0  0
  6  9  1  0  0  0  0
 10  8  2  0  0  0  0
 17 22  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,941)
1941

>  <Formula> (1,941)
C17H15N3O2

>  <MolWeight> (1,941)
293.3199

>  <COMPOUND_NAME> (1,941)
WAY-616400

>  <BAR_CODE_NO> (1,941)
90450387

$$$$
WAY-331628
csChFnd80/06171916322D

 34 37  0  0  0  0  0  0  0  0999 V2000
   -3.1583    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0125    3.0875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    1.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4375    0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8750    0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583   -0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708    1.4333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    1.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7250    2.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8750   -1.0417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7250    1.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3208   -1.8750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0292   -2.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000    3.5083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333    3.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5958    2.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    2.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7250    0.1958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458   -1.0500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    3.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7417   -1.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833   -0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8833   -1.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3000   -1.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6083   -2.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0292   -3.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4542   -2.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7500   -3.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4625   -3.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    3.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2875    4.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7292   -1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7542   -4.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  9  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
  9 11  1  0  0  0  0
 10  6  1  0  0  0  0
 11  3  2  0  0  0  0
 12 25  1  0  0  0  0
 13 12  1  0  0  0  0
 14  2  1  0  0  0  0
 15  2  2  0  0  0  0
 16  2  2  0  0  0  0
 17  8  2  0  0  0  0
 18  4  2  0  0  0  0
 19  6  2  0  0  0  0
 20 17  1  0  0  0  0
 21 13  2  0  0  0  0
 22 10  1  0  0  0  0
 23 10  1  0  0  0  0
 24 22  1  0  0  0  0
 25 23  1  0  0  0  0
 26 13  1  0  0  0  0
 27 21  1  0  0  0  0
 28 26  2  0  0  0  0
 29  7  1  0  0  0  0
 30 28  1  0  0  0  0
 31 14  1  0  0  0  0
 32 14  1  0  0  0  0
 33 21  1  0  0  0  0
 34 28  1  0  0  0  0
  8  3  1  0  0  0  0
 12 24  1  0  0  0  0
 20  9  2  0  0  0  0
 30 27  2  0  0  0  0
M  END
>  <Mol_ID> (1,942)
1942

>  <Formula> (1,942)
C25H30N4O4S

>  <MolWeight> (1,942)
482.5951

>  <COMPOUND_NAME> (1,942)
WAY-331628

>  <BAR_CODE_NO> (1,942)
306629

$$$$
WAY-329914
csChFnd80/06171916322D

 28 30  0  0  0  0  0  0  0  0999 V2000
   12.9667  -12.6042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.8792  -13.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0750  -11.6042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5542  -15.6667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.2042  -13.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6250  -14.8792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4542  -14.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3917   -8.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0875   -8.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.9667  -11.7042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9750  -13.5125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2875   -9.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7667  -11.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4792  -10.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8167   -7.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5875   -9.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8625  -10.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6542  -10.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8125  -12.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5417  -11.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3417  -10.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9167  -11.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1125  -12.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -12.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1792  -15.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3875  -14.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0667  -14.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6542  -15.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  7  2  0  0  0  0
  5  2  2  0  0  0  0
  6  5  1  0  0  0  0
  7  2  1  0  0  0  0
  8 12  1  0  0  0  0
  9  8  1  0  0  0  0
 10  1  2  0  0  0  0
 11  1  2  0  0  0  0
 12 16  1  0  0  0  0
 13  3  1  0  0  0  0
 14  3  1  0  0  0  0
 15  8  2  0  0  0  0
 16 14  1  0  0  0  0
 17 13  1  0  0  0  0
 18  9  1  0  0  0  0
 19 22  2  0  0  0  0
 20 18  1  0  0  0  0
 21 18  2  0  0  0  0
 22 21  1  0  0  0  0
 23 20  2  0  0  0  0
 24  5  1  0  0  0  0
 25  7  1  0  0  0  0
 26 19  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 17 12  1  0  0  0  0
  4  6  1  0  0  0  0
 19 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,943)
1943

>  <Formula> (1,943)
C19H26N4O4S

>  <MolWeight> (1,943)
406.49914

>  <COMPOUND_NAME> (1,943)
WAY-329914

>  <BAR_CODE_NO> (1,943)
304915

$$$$
WAY-624882
csChFnd80/06171916322D

 33 36  0  0  0  0  0  0  0  0999 V2000
    0.8000    3.3625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333   -2.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458   -2.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000    4.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792   -1.1750    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.6333   -1.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000    2.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000    0.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6250    3.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0250    3.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458   -3.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0583   -2.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333    0.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5125    2.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792    2.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0583   -4.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333   -4.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000    0.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792   -2.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458   -5.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5125    1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792    1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0583   -4.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333   -4.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458   -6.1250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5125    4.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792    4.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -2.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792    5.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5125    5.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000    5.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  9  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  1  1  0  0  0  0
  9 19  1  0  0  0  0
 10  1  2  0  0  0  0
 11  1  2  0  0  0  0
 12  3  1  0  0  0  0
 13  3  2  0  0  0  0
 14  5  2  0  0  0  0
 15  8  1  0  0  0  0
 16  8  2  0  0  0  0
 17 12  2  0  0  0  0
 18 12  1  0  0  0  0
 19 23  2  0  0  0  0
 20 30  1  0  0  0  0
 21 25  1  0  0  0  0
 22 15  2  0  0  0  0
 23 16  1  0  0  0  0
 24 17  1  0  0  0  0
 25 18  2  0  0  0  0
 26 21  1  0  0  0  0
 27  6  1  0  0  0  0
 28  4  1  0  0  0  0
 29  4  1  0  0  0  0
 30 27  1  0  0  0  0
 31 29  1  0  0  0  0
 32 28  1  0  0  0  0
 33 31  1  0  0  0  0
 22 19  1  0  0  0  0
 33 32  1  0  0  0  0
 20  2  1  0  0  0  0
 21 24  2  0  0  0  0
M  END
>  <Mol_ID> (1,944)
1944

>  <Formula> (1,944)
C24H28ClN3O4S

>  <MolWeight> (1,944)
490.01482

>  <COMPOUND_NAME> (1,944)
WAY-624882

>  <BAR_CODE_NO> (1,944)
90459062

$$$$
WAY-643861
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
    0.3292   -0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167   -1.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6375   -1.0167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2250   -1.7292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792   -0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958    1.7333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3833   -0.3292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3833    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8125    2.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958    0.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958   -2.1125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5542   -2.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292    0.9083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8125    2.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4542   -0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542    0.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3833    2.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3833    2.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5250    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958    3.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0750   -3.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792   -2.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5250    3.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2458    2.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2458    2.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7167   -3.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4125   -3.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2292   -3.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  5  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  2  0  0  0  0
  6 10  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9  6  1  0  0  0  0
 10  8  1  0  0  0  0
 11  2  2  0  0  0  0
 12  4  1  0  0  0  0
 13  8  2  0  0  0  0
 14  9  2  0  0  0  0
 15  3  1  0  0  0  0
 16  5  1  0  0  0  0
 17  6  1  0  0  0  0
 18 17  1  0  0  0  0
 19  9  1  0  0  0  0
 20 18  1  0  0  0  0
 21 12  1  0  0  0  0
 22 12  2  0  0  0  0
 23 14  1  0  0  0  0
 24 19  2  0  0  0  0
 25 24  1  0  0  0  0
 26 22  1  0  0  0  0
 27 21  2  0  0  0  0
 28 26  2  0  0  0  0
  3  4  1  0  0  0  0
 28 27  1  0  0  0  0
 20 14  1  0  0  0  0
 25 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,945)
1945

>  <Formula> (1,945)
C22H24N4O2

>  <MolWeight> (1,945)
376.45156

>  <COMPOUND_NAME> (1,945)
WAY-643861

>  <BAR_CODE_NO> (1,945)
90478434

$$$$
WAY-641834
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
    1.1125   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8625   -0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042    0.6833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4167   -0.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1917    0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458   -0.3042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4625   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458    0.5208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4625    0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1750   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3917   -0.7167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1750    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0375   -1.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2375   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4625   -1.5417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4625    1.7583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208    0.5208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3375    1.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792    1.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8958   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8958    0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5667   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7167    0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6083   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6083    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5417    0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3917   -0.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8792   -0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  5  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  2  0  0  0  0
  6 11  1  0  0  0  0
  7  6  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  7  1  0  0  0  0
 11 14  1  0  0  0  0
 12  1  1  0  0  0  0
 13  9  1  0  0  0  0
 14 12  1  0  0  0  0
 15  2  2  0  0  0  0
 16  4  1  0  0  0  0
 17  7  2  0  0  0  0
 18  9  2  0  0  0  0
 19 14  2  0  0  0  0
 20  3  1  0  0  0  0
 21  5  1  0  0  0  0
 22 10  1  0  0  0  0
 23 13  1  0  0  0  0
 24 16  1  0  0  0  0
 25 16  2  0  0  0  0
 26 22  2  0  0  0  0
 27 23  2  0  0  0  0
 28 25  1  0  0  0  0
 29 24  2  0  0  0  0
 30 28  2  0  0  0  0
  3  4  1  0  0  0  0
 30 29  1  0  0  0  0
 13 10  2  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (1,946)
1946

>  <Formula> (1,946)
C21H19N5O4

>  <MolWeight> (1,946)
405.40666

>  <COMPOUND_NAME> (1,946)
WAY-641834

>  <BAR_CODE_NO> (1,946)
90476387

$$$$
WAY-643343
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -0.6750    0.3208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1583   -0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6750   -1.0125    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.1042   -0.7542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833    3.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500    3.9250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7417    3.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333    2.5083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9333    1.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3833    1.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4625    4.3292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6875   -1.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0750    3.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167   -2.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7792    0.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9833   -0.3417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292    1.5458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0125   -3.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1500   -1.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7083   -3.4875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8792    3.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7417   -1.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7167   -3.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208   -4.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4500   -2.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4375   -3.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  9  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
  9 11  1  0  0  0  0
 10  1  1  0  0  0  0
 11 10  1  0  0  0  0
 12  7  1  0  0  0  0
 13  4  1  0  0  0  0
 14  8  2  0  0  0  0
 15 13  1  0  0  0  0
 16  2  2  0  0  0  0
 17  3  2  0  0  0  0
 18 11  2  0  0  0  0
 19 15  2  0  0  0  0
 20  4  1  0  0  0  0
 21 19  1  0  0  0  0
 22 14  1  0  0  0  0
 23 15  1  0  0  0  0
 24 19  1  0  0  0  0
 25 21  1  0  0  0  0
 26 23  2  0  0  0  0
 27 26  1  0  0  0  0
  5  4  1  0  0  0  0
 12 14  1  0  0  0  0
 27 24  2  0  0  0  0
M  END
>  <Mol_ID> (1,947)
1947

>  <Formula> (1,947)
C18H20N4O5

>  <MolWeight> (1,947)
372.3752

>  <COMPOUND_NAME> (1,947)
WAY-643343

>  <BAR_CODE_NO> (1,947)
90477914

$$$$
WAY-624708
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    0.1292    0.3958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3000   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417    0.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542    0.2583    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.7125    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5000    0.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7125   -0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0458    0.5833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6250    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2958    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9833   -0.3167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5000   -0.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2583   -1.0250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292    1.6250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2750    0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2083   -0.5750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1750    0.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7583   -1.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6250   -0.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7542    0.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5750    0.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4417   -0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9167    0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  9  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
  9 11  1  0  0  0  0
 10  1  1  0  0  0  0
 11 10  1  0  0  0  0
 12  7  1  0  0  0  0
 13  8  2  0  0  0  0
 14  2  2  0  0  0  0
 15  3  2  0  0  0  0
 16  5  1  0  0  0  0
 17 11  2  0  0  0  0
 18  5  1  0  0  0  0
 19 13  1  0  0  0  0
 20 16  1  0  0  0  0
 21 16  2  0  0  0  0
 22 21  1  0  0  0  0
 23 20  2  0  0  0  0
 24 22  2  0  0  0  0
  5  4  1  0  0  0  0
 12 13  1  0  0  0  0
 24 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,948)
1948

>  <Formula> (1,948)
C16H16N4O4

>  <MolWeight> (1,948)
328.32264

>  <COMPOUND_NAME> (1,948)
WAY-624708

>  <BAR_CODE_NO> (1,948)
90458884

$$$$
WAY-278629
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -1.7625    1.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5708    0.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458    0.9833    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.3833    1.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7000   -0.0917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7625    2.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1958    0.8208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1500    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.3125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3833    2.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5708    2.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6000    0.1625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667   -0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0208    1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4500    1.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3458    2.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1958    2.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042   -1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0208    2.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542    2.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542    3.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1875   -1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7875   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9292   -1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8  3  1  0  0  0  0
  9  8  1  0  0  0  0
 10 11  1  0  0  0  0
 11  6  2  0  0  0  0
 12  2  1  0  0  0  0
 13  5  1  0  0  0  0
 14  7  2  0  0  0  0
 15  9  2  0  0  0  0
 16  8  2  0  0  0  0
 17 10  1  0  0  0  0
 18 13  2  0  0  0  0
 19 13  1  0  0  0  0
 20 17  2  0  0  0  0
 21 22  2  0  0  0  0
 22 16  1  0  0  0  0
 23 19  2  0  0  0  0
 24 18  1  0  0  0  0
 25 23  1  0  0  0  0
  4 10  2  0  0  0  0
 14 20  1  0  0  0  0
 15 21  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (1,949)
1949

>  <Formula> (1,949)
C21H17N3O

>  <MolWeight> (1,949)
327.37918

>  <COMPOUND_NAME> (1,949)
WAY-278629

>  <BAR_CODE_NO> (1,949)
389284

$$$$
WAY-278515
csChFnd80/06171916322D

 24 27  0  0  0  0  0  0  0  0999 V2000
    0.3809    0.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1705   -0.3627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4295   -0.3627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3809    1.0649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9843    0.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1705   -1.3006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2433    0.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4295   -1.3006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4295    1.5304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1947    1.5304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7947   -0.3627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9843   -1.7661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2433    1.0649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0295   -0.3627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7947   -1.3006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6809   -0.0696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0295    1.5304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8674    0.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6809   -1.5696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1981   -0.8317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8674    1.0649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6777   -0.3627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6777    1.5304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4915    0.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  2  0  0  0  0
  7 14  1  0  0  0  0
 11 15  2  0  0  0  0
 11 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  2  0  0  0  0
 18 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
  9 13  1  0  0  0  0
 12 15  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,950)
1950

>  <Formula> (1,950)
C19H16O5

>  <MolWeight> (1,950)
324.32734

>  <COMPOUND_NAME> (1,950)
WAY-278515

>  <BAR_CODE_NO> (1,950)
389169

$$$$
WAY-643431
csChFnd80/06171916322D

 28 30  0  0  0  0  0  0  0  0999 V2000
   -1.6333   -0.8542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583   -0.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458   -0.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1500    0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458   -1.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4167    0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4583   -0.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9292    1.4208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4792   -0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1500    1.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9292    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8708   -0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042    0.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292    0.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6958   -0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5667   -0.9667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0625   -0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167    0.8583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4000    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1083   -0.8542    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.4000   -2.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4792    1.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4583    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1083    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8708    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6958    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  1  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  7 12  2  0  0  0  0
  8  1  1  0  0  0  0
  9 11  1  0  0  0  0
 10 15  1  0  0  0  0
 11  4  2  0  0  0  0
 12  4  1  0  0  0  0
 13  8  1  0  0  0  0
 14  2  1  0  0  0  0
 15 18  1  0  0  0  0
 16 13  2  0  0  0  0
 17 10  2  0  0  0  0
 18 14  1  0  0  0  0
 19 14  2  0  0  0  0
 20  3  1  0  0  0  0
 21 16  1  0  0  0  0
 22  6  1  0  0  0  0
 23 11  1  0  0  0  0
 24 13  1  0  0  0  0
 25 12  1  0  0  0  0
 26 16  1  0  0  0  0
 27 24  2  0  0  0  0
 28 27  1  0  0  0  0
  2  5  1  0  0  0  0
 28 26  2  0  0  0  0
  9  7  1  0  0  0  0
M  END
>  <Mol_ID> (1,951)
1951

>  <Formula> (1,951)
C21H21ClN2O4

>  <MolWeight> (1,951)
400.85544

>  <COMPOUND_NAME> (1,951)
WAY-643431

>  <BAR_CODE_NO> (1,951)
90478003

$$$$
WAY-344011
csChFnd80/06171916322D

 30 32  0  0  0  0  0  0  0  0999 V2000
    4.6417   -4.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2667   -5.4042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1250   -4.3167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2625   -3.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5167   -5.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5042   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9292   -8.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0167   -7.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4042   -4.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4542   -9.5167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.7875  -13.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3875  -12.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4417   -7.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3917   -8.6292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2500   -7.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1167  -11.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9917  -12.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1375   -6.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9792  -10.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8667   -8.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3792   -6.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2917  -11.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4125  -10.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6292   -2.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1250   -2.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5375  -14.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3917  -14.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -12.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2542   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4917   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  6  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9  1  2  0  0  0  0
 10  7  1  0  0  0  0
 11 12  1  0  0  0  0
 12 16  1  0  0  0  0
 13  7  2  0  0  0  0
 14  8  2  0  0  0  0
 15  8  1  0  0  0  0
 16 23  2  0  0  0  0
 17 22  1  0  0  0  0
 18  5  1  0  0  0  0
 19 10  1  0  0  0  0
 20 15  1  0  0  0  0
 21 18  1  0  0  0  0
 22 19  2  0  0  0  0
 23 19  1  0  0  0  0
 24  4  2  0  0  0  0
 25  6  2  0  0  0  0
 26 11  1  0  0  0  0
 27 11  1  0  0  0  0
 28 11  1  0  0  0  0
 29 24  1  0  0  0  0
 30 29  2  0  0  0  0
  3  5  2  0  0  0  0
 25 30  1  0  0  0  0
 12 17  2  0  0  0  0
M  END
>  <Mol_ID> (1,952)
1952

>  <Formula> (1,952)
C23H25N3O4

>  <MolWeight> (1,952)
407.4623

>  <COMPOUND_NAME> (1,952)
WAY-344011

>  <BAR_CODE_NO> (1,952)
90454927

$$$$
WAY-616175
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -1.8792    1.3125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6250    0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6625    1.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958    1.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2792   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6625    2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8167    0.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2458   -0.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1750   -0.0833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8792    2.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7292   -2.0708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5625   -0.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000   -1.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9208   -1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0875   -1.6292    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.0250   -0.6708    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.3083   -1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6667   -1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3667   -2.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5625   -2.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8583   -0.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3792    1.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3792    2.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0917    1.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0917    2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5 11  1  0  0  0  0
  6  3  2  0  0  0  0
  7  2  1  0  0  0  0
  8 12  1  0  0  0  0
  9  2  2  0  0  0  0
 10  4  1  0  0  0  0
 11 14  1  0  0  0  0
 12  7  1  0  0  0  0
 13  8  2  0  0  0  0
 14 18  1  0  0  0  0
 15  5  1  0  0  0  0
 16  5  1  0  0  0  0
 17 13  1  0  0  0  0
 18 21  2  0  0  0  0
 19 20  1  0  0  0  0
 20 17  2  0  0  0  0
 21 17  1  0  0  0  0
 22  3  1  0  0  0  0
 23  6  1  0  0  0  0
 24 22  2  0  0  0  0
 25 24  1  0  0  0  0
 10  6  1  0  0  0  0
 23 25  2  0  0  0  0
 19 14  2  0  0  0  0
M  END
>  <Mol_ID> (1,953)
1953

>  <Formula> (1,953)
C18H16F2N2O3

>  <MolWeight> (1,953)
346.3280464

>  <COMPOUND_NAME> (1,953)
WAY-616175

>  <BAR_CODE_NO> (1,953)
90450155

$$$$
WAY-330038
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -5.0917   12.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6208   10.9750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6042   12.4167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2042   13.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8458   10.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0667   10.9542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6708   15.0917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1542    6.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4667    5.5125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6583   13.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4375   16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1958   15.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4667    3.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8292    5.4917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8458    8.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1542    7.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1542    3.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1542    1.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7917    1.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7917    3.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4667    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8458    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8458   -0.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  2  2  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8 16  1  0  0  0  0
  9  8  1  0  0  0  0
 10  4  2  0  0  0  0
 11  7  1  0  0  0  0
 12 10  1  0  0  0  0
 13  9  1  0  0  0  0
 14  8  2  0  0  0  0
 15  5  1  0  0  0  0
 16 15  1  0  0  0  0
 17 13  1  0  0  0  0
 18 17  2  0  0  0  0
 19 20  1  0  0  0  0
 20 13  2  0  0  0  0
 21 19  2  0  0  0  0
 22 18  1  0  0  0  0
 23 22  1  0  0  0  0
  5  6  1  0  0  0  0
 11 12  2  0  0  0  0
 21 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,954)
1954

>  <Formula> (1,954)
C17H17N3O2S

>  <MolWeight> (1,954)
327.40078

>  <COMPOUND_NAME> (1,954)
WAY-330038

>  <BAR_CODE_NO> (1,954)
305039

$$$$
WAY-332376
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    8.7375   -6.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3042   -6.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8792   -5.5125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0125   -4.6792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1667   -5.5125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5667   -8.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5375   -5.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9792   -7.8625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4750   -8.0125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9875   -9.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2375   -3.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8042   -9.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9042   -3.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5917   -1.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2417   -1.4500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   13.2000   -8.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0042   -1.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2917   -2.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6542   -0.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0292  -10.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7667   -7.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1667   -7.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4167   -9.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  6  1  0  0  0  0
  9  2  1  0  0  0  0
 10  6  2  0  0  0  0
 11  7  1  0  0  0  0
 12  8  1  0  0  0  0
 13 11  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 12  1  0  0  0  0
 17 18  1  0  0  0  0
 18 11  2  0  0  0  0
 19 17  2  0  0  0  0
 20 16  2  0  0  0  0
 21 16  1  0  0  0  0
 22 21  2  0  0  0  0
 23 20  1  0  0  0  0
 24 22  1  0  0  0  0
  4  3  1  0  0  0  0
 23 24  2  0  0  0  0
 19 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,955)
1955

>  <Formula> (1,955)
C17H16ClN5O

>  <MolWeight> (1,955)
341.79484

>  <COMPOUND_NAME> (1,955)
WAY-332376

>  <BAR_CODE_NO> (1,955)
307377

$$$$
WAY-642541
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -2.1208   -0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4583   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9083   -0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7167   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7000   -0.3667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1208   -1.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3958   -0.9292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333    0.1208    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.9083   -1.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3875    0.2708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458    0.7875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8042   -1.0375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208    0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1417   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1625    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6500   -0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2292   -0.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8042    0.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5625    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9792   -1.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1625   -2.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8750    1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417    1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4042   -1.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4625    2.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9583    2.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958    2.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  8  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  5  1  0  0  0  0
  9  6  2  0  0  0  0
 10  4  1  0  0  0  0
 11  2  2  0  0  0  0
 12  4  2  0  0  0  0
 13  8  1  0  0  0  0
 14 10  1  0  0  0  0
 15  3  1  0  0  0  0
 16 19  2  0  0  0  0
 17 14  1  0  0  0  0
 18 14  2  0  0  0  0
 19 18  1  0  0  0  0
 20 17  2  0  0  0  0
 21  9  1  0  0  0  0
 22 13  2  0  0  0  0
 23 13  1  0  0  0  0
 24 16  1  0  0  0  0
 25 23  2  0  0  0  0
 26 22  1  0  0  0  0
 27 25  1  0  0  0  0
  7  9  1  0  0  0  0
 27 26  2  0  0  0  0
 16 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,956)
1956

>  <Formula> (1,956)
C22H21NO4

>  <MolWeight> (1,956)
363.40644

>  <COMPOUND_NAME> (1,956)
WAY-642541

>  <BAR_CODE_NO> (1,956)
90477102

$$$$
WAY-642943
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.0792    1.8083    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667    1.1458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792    0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7083    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7083    1.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292   -0.3125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0917    2.6333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542    2.4833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1000   -2.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208   -0.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417   -0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417   -1.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9042   -2.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0375   -1.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3917   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4208    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5500   -3.2792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4208    1.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1333    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1333    1.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  1  2  0  0  0  0
  8  1  2  0  0  0  0
  9 12  1  0  0  0  0
 10  6  1  0  0  0  0
 11  6  1  0  0  0  0
 12 15  1  0  0  0  0
 13  9  2  0  0  0  0
 14 10  1  0  0  0  0
 15 11  1  0  0  0  0
 16  4  1  0  0  0  0
 17  9  1  0  0  0  0
 18  5  1  0  0  0  0
 19 20  1  0  0  0  0
 20 18  2  0  0  0  0
  4  3  1  0  0  0  0
 19 16  2  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,957)
1957

>  <Formula> (1,957)
C13H14N2O4S

>  <MolWeight> (1,957)
294.32626

>  <COMPOUND_NAME> (1,957)
WAY-642943

>  <BAR_CODE_NO> (1,957)
90477509

$$$$
WAY-642295
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -1.2333    0.1958    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208   -0.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7667   -1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9458    0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5167   -1.3792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8542   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0542   -1.4542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0750   -0.7667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3375   -1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6625   -0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042   -1.0417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8208    0.9083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6458   -0.5167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6625    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208   -1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3750    0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6250   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9458    1.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3375   -0.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3750    1.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6625    1.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9917    0.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0958    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0958    1.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8083    0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8083    1.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  7  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  2  0  0  0  0
  6  3  1  0  0  0  0
  7  9  1  0  0  0  0
  8  5  1  0  0  0  0
  9 18  1  0  0  0  0
 10  6  2  0  0  0  0
 11 22  1  0  0  0  0
 12  1  2  0  0  0  0
 13  1  2  0  0  0  0
 14  4  2  0  0  0  0
 15  2  1  0  0  0  0
 16  2  1  0  0  0  0
 17 14  1  0  0  0  0
 18 11  1  0  0  0  0
 19  4  1  0  0  0  0
 20  9  2  0  0  0  0
 21 15  1  0  0  0  0
 22 16  1  0  0  0  0
 23 24  1  0  0  0  0
 24 19  2  0  0  0  0
 25 10  1  0  0  0  0
 26 17  1  0  0  0  0
 27 23  1  0  0  0  0
 28 26  2  0  0  0  0
 29 27  2  0  0  0  0
 11 21  1  0  0  0  0
 23 17  2  0  0  0  0
 28 29  1  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Mol_ID> (1,958)
1958

>  <Formula> (1,958)
C20H22N4O4S

>  <MolWeight> (1,958)
414.47808

>  <COMPOUND_NAME> (1,958)
WAY-642295

>  <BAR_CODE_NO> (1,958)
90476854

$$$$
WAY-278476
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -2.8625    0.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4708    0.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7708    0.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8125    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5625    0.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5000    1.2458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9208    0.0500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8208    0.0333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0000    1.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5208    0.0500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4500    1.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6583    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2875    1.2208    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333    0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4833   -0.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958   -0.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  2  1  0  0  0  0
  4  6  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  5  1  0  0  0  0
  8  2  2  0  0  0  0
  9 15  2  0  0  0  0
 10  5  2  0  0  0  0
 11  1  2  0  0  0  0
 12  4  2  0  0  0  0
 13  7  1  0  0  0  0
 14 10  1  0  0  0  0
 15 12  1  0  0  0  0
 16  9  1  0  0  0  0
 17  3  2  0  0  0  0
 18  8  1  0  0  0  0
 19 18  2  0  0  0  0
 14 13  2  0  0  0  0
  3  9  1  0  0  0  0
 19 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,959)
1959

>  <Formula> (1,959)
C14H8ClNO3

>  <MolWeight> (1,959)
273.67122

>  <COMPOUND_NAME> (1,959)
WAY-278476

>  <BAR_CODE_NO> (1,959)
389130

$$$$
WAY-624056
csChFnd80/06171916322D

 35 39  0  0  0  0  0  0  0  0999 V2000
    2.6042    2.7083    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6833   -2.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3958   -2.6542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6833   -1.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3958   -1.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3167    3.1208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708   -2.6542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8917    2.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1083   -2.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917    3.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0167    1.9958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1083   -1.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2583    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708   -1.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2583    1.0583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4625   -0.1792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8917    1.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1750    2.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4625   -3.4792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4625    1.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1750    1.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4625    2.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0750    2.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4042    3.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2583   -2.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708   -3.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8250   -2.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2583   -3.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4625   -2.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8250   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2125    4.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6250    3.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5375   -2.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5375   -1.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  2  0  0  0  0
  3  2  1  0  0  0  0
  4 14  1  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  1  1  0  0  0  0
  9 12  1  0  0  0  0
 10  1  2  0  0  0  0
 11  1  2  0  0  0  0
 12  5  2  0  0  0  0
 13 15  1  0  0  0  0
 14 20  1  0  0  0  0
 15 21  1  0  0  0  0
 16 13  2  0  0  0  0
 17  8  1  0  0  0  0
 18  8  2  0  0  0  0
 19 29  1  0  0  0  0
 20 13  1  0  0  0  0
 21 23  2  0  0  0  0
 22 17  2  0  0  0  0
 23 18  1  0  0  0  0
 24  6  1  0  0  0  0
 25  6  1  0  0  0  0
 26  7  1  0  0  0  0
 27  7  1  0  0  0  0
 28  9  1  0  0  0  0
 29 27  1  0  0  0  0
 30 26  1  0  0  0  0
 31 12  1  0  0  0  0
 32 25  1  0  0  0  0
 33 24  1  0  0  0  0
 34 35  1  0  0  0  0
 35 31  2  0  0  0  0
 22 21  1  0  0  0  0
 32 33  1  0  0  0  0
  9  3  2  0  0  0  0
 19 30  1  0  0  0  0
 28 34  2  0  0  0  0
M  END
>  <Mol_ID> (1,960)
1960

>  <Formula> (1,960)
C24H27N5O5S

>  <MolWeight> (1,960)
497.56668

>  <COMPOUND_NAME> (1,960)
WAY-624056

>  <BAR_CODE_NO> (1,960)
90458230

$$$$
WAY-643902
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    2.1667   -1.1292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8333    0.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4000    0.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1208   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1667   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875   -1.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6875   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8333    0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6125   -0.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6125    1.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7417   -0.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1000    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542    0.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292    0.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4000    0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875   -2.3667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6875   -1.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1208    1.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6000   -1.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875    0.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542    0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875    0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1667    1.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  7  1  0  0  0  0
  4  3  2  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7 14  1  0  0  0  0
  8 18  1  0  0  0  0
  9  2  1  0  0  0  0
 10  8  1  0  0  0  0
 11 13  1  0  0  0  0
 12  9  1  0  0  0  0
 13  5  2  0  0  0  0
 14 11  1  0  0  0  0
 15  3  1  0  0  0  0
 16  6  2  0  0  0  0
 17  7  2  0  0  0  0
 18 15  2  0  0  0  0
 19  6  1  0  0  0  0
 20  5  1  0  0  0  0
 21 13  1  0  0  0  0
 22 20  2  0  0  0  0
 23 22  1  0  0  0  0
 23 21  2  0  0  0  0
  8  2  2  0  0  0  0
 12 10  1  0  0  0  0
M  END
>  <Mol_ID> (1,961)
1961

>  <Formula> (1,961)
C17H15NO5

>  <MolWeight> (1,961)
313.3047

>  <COMPOUND_NAME> (1,961)
WAY-643902

>  <BAR_CODE_NO> (1,961)
90478476

$$$$
WAY-624115
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
    0.6875    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167    0.4250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6792   -0.3292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4042    0.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542   -0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5750    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3583    0.3708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5750   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708    0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9083    0.6083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8458   -0.2917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3583   -0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1583    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8250    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7333    0.4208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1500    1.7208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0708   -0.5542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4875    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3750   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4875    1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042   -0.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6125   -1.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1167   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1792    0.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7292   -0.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6667   -1.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4792   -1.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  5  2  0  0  0  0
  4  1  2  0  0  0  0
  5  1  1  0  0  0  0
  6 10  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
  9  1  1  0  0  0  0
 10 13  1  0  0  0  0
 11  7  1  0  0  0  0
 12  8  2  0  0  0  0
 13 18  1  0  0  0  0
 14  2  1  0  0  0  0
 15  9  1  0  0  0  0
 16  9  2  0  0  0  0
 17 13  2  0  0  0  0
 18 15  1  0  0  0  0
 19 14  1  0  0  0  0
 20  4  1  0  0  0  0
 21  5  1  0  0  0  0
 22 12  1  0  0  0  0
 23 19  1  0  0  0  0
 24 19  2  0  0  0  0
 25 24  1  0  0  0  0
 26 23  2  0  0  0  0
 27 25  2  0  0  0  0
  2  3  1  0  0  0  0
 27 26  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (1,962)
1962

>  <Formula> (1,962)
C19H20N4O4

>  <MolWeight> (1,962)
368.3865

>  <COMPOUND_NAME> (1,962)
WAY-624115

>  <BAR_CODE_NO> (1,962)
90458289

$$$$
WAY-616133
csChFnd80/06171916322D

 26 27  0  0  0  0  0  0  0  0999 V2000
    0.0750   -2.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4083   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0750   -1.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8625   -1.3375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8625   -2.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167    2.4958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1792   -0.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1792   -3.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6708    1.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0958    4.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3917    2.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667    3.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750    0.3167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1208    1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9833   -0.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750   -3.8167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792    1.5417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125    3.8958    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.6458    3.4542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.2333   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9833   -3.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5292   -2.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4542    3.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667    4.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2417   -4.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0458   -4.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  5  1  0  0  0  0
  5  1  2  0  0  0  0
  6  9  1  0  0  0  0
  7  3  1  0  0  0  0
  8  1  1  0  0  0  0
  9 14  1  0  0  0  0
 10 18  1  0  0  0  0
 11  6  1  0  0  0  0
 12  6  1  0  0  0  0
 13  7  1  0  0  0  0
 14 13  1  0  0  0  0
 15  7  2  0  0  0  0
 16  8  2  0  0  0  0
 17  9  2  0  0  0  0
 18 12  1  0  0  0  0
 19 11  1  0  0  0  0
 20  2  1  0  0  0  0
 21  8  1  0  0  0  0
 22  5  1  0  0  0  0
 23 19  1  0  0  0  0
 24 18  1  0  0  0  0
 25 21  1  0  0  0  0
 26 25  1  0  0  0  0
  4  3  1  0  0  0  0
 19 10  1  0  0  0  0
M  END
>  <Mol_ID> (1,963)
1963

>  <Formula> (1,963)
C18H26N2O6

>  <MolWeight> (1,963)
366.40884

>  <COMPOUND_NAME> (1,963)
WAY-616133

>  <BAR_CODE_NO> (1,963)
90450113

$$$$
WAY-278678
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -3.2500   -0.8042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5208   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9958   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4542   -0.4375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7333    0.5625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6625   -0.4375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8500    0.5625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0708    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1000    0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8375   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8458   -0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5792   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708    1.1208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8875   -0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7292   -1.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9375    1.0708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792   -2.0375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5000    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792   -0.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2875    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0875   -0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042    0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0458   -1.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3000    0.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3667   -0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9083   -1.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5542   -1.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4 12  1  0  0  0  0
  5  3  2  0  0  0  0
  6  2  1  0  0  0  0
  7  2  2  0  0  0  0
  8  6  1  0  0  0  0
  9  4  1  0  0  0  0
 10  4  1  0  0  0  0
 11  3  1  0  0  0  0
 12 21  1  0  0  0  0
 13  8  1  0  0  0  0
 14  8  2  0  0  0  0
 15  9  1  0  0  0  0
 16 10  1  0  0  0  0
 17  9  2  0  0  0  0
 18 10  2  0  0  0  0
 19 11  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 13  2  0  0  0  0
 23 13  1  0  0  0  0
 24 11  1  0  0  0  0
 25 19  1  0  0  0  0
 26 19  1  0  0  0  0
 27 24  2  0  0  0  0
 28 27  1  0  0  0  0
  7  5  1  0  0  0  0
 26 28  2  0  0  0  0
 20 12  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,964)
1964

>  <Formula> (1,964)
C20H16N4O3S

>  <MolWeight> (1,964)
392.43104

>  <COMPOUND_NAME> (1,964)
WAY-278678

>  <BAR_CODE_NO> (1,964)
389333

$$$$
WAY-329488
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    2.9292   -0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2042   -1.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7167   -0.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9292   -1.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7167   -2.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2167   -0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0375   -1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5042   -1.7625    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.2167   -2.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7792   -2.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5042   -0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292   -1.8292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2167    0.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   -2.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4542   -0.6292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5250   -2.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1083   -3.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9792    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4500   -2.0667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5042   -2.7875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2750   -2.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6792   -2.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9125   -3.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8 11  1  0  0  0  0
  9  4  1  0  0  0  0
 10  8  1  0  0  0  0
 11  6  1  0  0  0  0
 12 10  1  0  0  0  0
 13  6  2  0  0  0  0
 14 10  2  0  0  0  0
 15  7  2  0  0  0  0
 16 12  1  0  0  0  0
 17 14  1  0  0  0  0
 18  3  1  0  0  0  0
 19  7  1  0  0  0  0
 20 22  1  0  0  0  0
 21 19  1  0  0  0  0
 22 21  1  0  0  0  0
 23 20  1  0  0  0  0
  9  8  1  0  0  0  0
  5  2  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (1,965)
1965

>  <Formula> (1,965)
C17H19NO5

>  <MolWeight> (1,965)
317.33646

>  <COMPOUND_NAME> (1,965)
WAY-329488

>  <BAR_CODE_NO> (1,965)
304489

$$$$
WAY-329485
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
    4.0667   -0.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3417   -0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8542   -0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0667   -1.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8500   -1.6417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3500   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1667   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6375   -1.4042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.3500   -1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9167   -1.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6375   -0.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667   -1.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3500    0.6708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8292   -2.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5875   -0.2750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042   -2.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0250   -2.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1167    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5792   -1.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6542   -2.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0792   -3.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4042   -1.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8125   -2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9167   -3.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6667   -3.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8 11  1  0  0  0  0
  9  4  1  0  0  0  0
 10  8  1  0  0  0  0
 11  6  1  0  0  0  0
 12 10  1  0  0  0  0
 13  6  2  0  0  0  0
 14 10  2  0  0  0  0
 15  7  2  0  0  0  0
 16 12  1  0  0  0  0
 17 14  1  0  0  0  0
 18  3  1  0  0  0  0
 19  7  1  0  0  0  0
 20 23  1  0  0  0  0
 21 20  1  0  0  0  0
 22 19  1  0  0  0  0
 23 22  1  0  0  0  0
 24 21  1  0  0  0  0
 25 21  1  0  0  0  0
  9  8  1  0  0  0  0
  5  2  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (1,966)
1966

>  <Formula> (1,966)
C19H23NO5

>  <MolWeight> (1,966)
345.38962

>  <COMPOUND_NAME> (1,966)
WAY-329485

>  <BAR_CODE_NO> (1,966)
304486

$$$$
WAY-329487
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    2.9292   -0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2042   -1.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7167   -0.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9292   -1.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7167   -2.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2167   -0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0375   -1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5042   -1.7625    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.2167   -2.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7792   -2.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5042   -0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292   -1.8292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2167    0.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   -2.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4542   -0.6292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5250   -2.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1083   -3.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9792    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4500   -2.0667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2750   -2.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6792   -2.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9125   -3.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5042   -2.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7375   -3.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8 11  1  0  0  0  0
  9  4  1  0  0  0  0
 10  8  1  0  0  0  0
 11  6  1  0  0  0  0
 12 10  1  0  0  0  0
 13  6  2  0  0  0  0
 14 10  2  0  0  0  0
 15  7  2  0  0  0  0
 16 12  1  0  0  0  0
 17 14  1  0  0  0  0
 18  3  1  0  0  0  0
 19  7  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 23  1  0  0  0  0
 23 21  1  0  0  0  0
 24 22  1  0  0  0  0
  9  8  1  0  0  0  0
  5  2  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (1,967)
1967

>  <Formula> (1,967)
C19H23NO4

>  <MolWeight> (1,967)
329.39022

>  <COMPOUND_NAME> (1,967)
WAY-329487

>  <BAR_CODE_NO> (1,967)
304488

$$$$
WAY-333159
csChFnd80/06171916322D

 34 38  0  0  0  0  0  0  0  0999 V2000
   -7.7167    8.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7167    6.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4042    8.7167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9292    8.9792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1417    8.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1417    6.8792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9292    6.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4042    6.4667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6208    7.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1000   11.1792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2083    7.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9583    5.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5208    8.7542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3792    8.9792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9292    4.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4208   12.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5208   11.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4208    9.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9292   10.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   12.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1000   13.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1000    8.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2083    9.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5708    4.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   14.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4208   14.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792   13.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125   16.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1083    3.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0333    2.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7583    3.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    1.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2958    1.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2375    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  2  1  0  0  0  0
  8  2  1  0  0  0  0
  9  3  2  0  0  0  0
 10 17  1  0  0  0  0
 11  9  1  0  0  0  0
 12  8  1  0  0  0  0
 13 11  1  0  0  0  0
 14  5  2  0  0  0  0
 15  7  2  0  0  0  0
 16 10  1  0  0  0  0
 17 23  1  0  0  0  0
 18 22  1  0  0  0  0
 19  4  1  0  0  0  0
 20 16  2  0  0  0  0
 21 16  1  0  0  0  0
 22 13  1  0  0  0  0
 23 13  1  0  0  0  0
 24 12  1  0  0  0  0
 25 26  1  0  0  0  0
 26 21  2  0  0  0  0
 27 20  1  0  0  0  0
 28 25  1  0  0  0  0
 29 24  1  0  0  0  0
 30 29  2  0  0  0  0
 31 29  1  0  0  0  0
 32 30  1  0  0  0  0
 33 31  2  0  0  0  0
 34 33  1  0  0  0  0
  9  8  1  0  0  0  0
  7  6  1  0  0  0  0
 10 18  1  0  0  0  0
 34 32  2  0  0  0  0
 25 27  2  0  0  0  0
M  END
>  <Mol_ID> (1,968)
1968

>  <Formula> (1,968)
C25H27FN6O2

>  <MolWeight> (1,968)
462.5192832

>  <COMPOUND_NAME> (1,968)
WAY-333159

>  <BAR_CODE_NO> (1,968)
308160

$$$$
WAY-333157
csChFnd80/06171916322D

 34 38  0  0  0  0  0  0  0  0999 V2000
   -8.3542    8.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3542    7.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9292    9.4292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6542    9.7167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9667    8.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9667    7.4417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6542    6.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9292    6.9917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0667    8.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2708   12.0917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5458    8.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4292    5.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8000    9.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5333   13.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   13.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3042    9.7167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6542    5.1667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5333   10.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8000   12.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6542   11.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5458   10.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2708    9.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7417   14.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9375    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667   14.6792    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.4375    3.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2708   14.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5333   16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   15.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4375    2.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9833    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9583    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4833    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5000    0.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  2  1  0  0  0  0
  8  2  1  0  0  0  0
  9  3  2  0  0  0  0
 10 18  1  0  0  0  0
 11  9  1  0  0  0  0
 12  8  1  0  0  0  0
 13 11  1  0  0  0  0
 14 10  1  0  0  0  0
 15 14  2  0  0  0  0
 16  5  2  0  0  0  0
 17  7  2  0  0  0  0
 18 22  1  0  0  0  0
 19 21  1  0  0  0  0
 20  4  1  0  0  0  0
 21 13  1  0  0  0  0
 22 13  1  0  0  0  0
 23 15  1  0  0  0  0
 24 12  1  0  0  0  0
 25 23  1  0  0  0  0
 26 24  1  0  0  0  0
 27 14  1  0  0  0  0
 28 27  2  0  0  0  0
 29 28  1  0  0  0  0
 30 26  2  0  0  0  0
 31 26  1  0  0  0  0
 32 30  1  0  0  0  0
 33 31  2  0  0  0  0
 34 33  1  0  0  0  0
  9  8  1  0  0  0  0
  7  6  1  0  0  0  0
 10 19  1  0  0  0  0
 34 32  2  0  0  0  0
 29 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,969)
1969

>  <Formula> (1,969)
C25H27ClN6O2

>  <MolWeight> (1,969)
478.97388

>  <COMPOUND_NAME> (1,969)
WAY-333157

>  <BAR_CODE_NO> (1,969)
308158

$$$$
WAY-331259
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
    8.0625  -13.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0625  -12.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9417  -13.9625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8375  -12.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8375  -13.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9417  -11.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2875  -13.7042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2792  -11.6250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0500  -12.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9875  -13.7667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3292  -12.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6667  -10.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7167  -13.9750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9417  -10.0875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3542  -14.8750    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.9417  -15.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7167  -11.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8042   -9.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2542  -13.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1917   -8.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0500  -14.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9917  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4500   -7.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3375   -7.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9167  -14.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2917  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8417   -6.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7250   -6.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9917   -5.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  7  2  0  0  0  0
 10 11  1  0  0  0  0
 11  9  1  0  0  0  0
 12  8  1  0  0  0  0
 13  5  2  0  0  0  0
 14  6  2  0  0  0  0
 15 10  1  0  0  0  0
 16  3  1  0  0  0  0
 17  4  1  0  0  0  0
 18 12  1  0  0  0  0
 19 10  1  0  0  0  0
 20 18  1  0  0  0  0
 21 15  1  0  0  0  0
 22 15  1  0  0  0  0
 23 20  2  0  0  0  0
 24 20  1  0  0  0  0
 25 19  1  0  0  0  0
 26 25  1  0  0  0  0
 27 23  1  0  0  0  0
 28 24  2  0  0  0  0
 29 28  1  0  0  0  0
  8  9  1  0  0  0  0
  4  6  1  0  0  0  0
 26 22  1  0  0  0  0
 29 27  2  0  0  0  0
M  END
>  <Mol_ID> (1,970)
1970

>  <Formula> (1,970)
C22H29N5O2

>  <MolWeight> (1,970)
395.49796

>  <COMPOUND_NAME> (1,970)
WAY-331259

>  <BAR_CODE_NO> (1,970)
306260

$$$$
WAY-331257
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
    6.9542  -11.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9417  -10.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9000  -11.9875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8542  -10.1750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8542  -11.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9000   -9.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0917  -11.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0875   -9.7917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8042  -10.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4625   -8.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0167  -10.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6417  -11.7917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4667  -14.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7917  -11.9917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9000   -8.3417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8667  -13.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6917  -14.9417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9000  -13.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7917   -9.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6542  -13.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4542  -12.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8500  -11.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0375  -12.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8792  -16.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6375   -7.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9500   -6.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1042   -6.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0792   -5.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4042   -5.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3792   -4.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5542   -4.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  7  2  0  0  0  0
 10  8  1  0  0  0  0
 11  9  1  0  0  0  0
 12 11  1  0  0  0  0
 13 16  1  0  0  0  0
 14  5  2  0  0  0  0
 15  6  2  0  0  0  0
 16 20  1  0  0  0  0
 17 13  2  0  0  0  0
 18  3  1  0  0  0  0
 19  4  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  1  0  0  0  0
 22 12  1  0  0  0  0
 23 12  1  0  0  0  0
 24 13  1  0  0  0  0
 25 10  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 28 26  1  0  0  0  0
 29 27  1  0  0  0  0
 30 28  2  0  0  0  0
 31 30  1  0  0  0  0
  8  9  1  0  0  0  0
  4  6  1  0  0  0  0
 16 21  1  0  0  0  0
 31 29  2  0  0  0  0
M  END
>  <Mol_ID> (1,971)
1971

>  <Formula> (1,971)
C22H28N6O3

>  <MolWeight> (1,971)
424.49612

>  <COMPOUND_NAME> (1,971)
WAY-331257

>  <BAR_CODE_NO> (1,971)
306258

$$$$
WAY-332941
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -3.0375    3.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2583    3.5333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0333    2.4583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7708    2.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500    2.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9417    2.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    3.6875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5292    2.8958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7667    2.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458    2.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    2.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4583    2.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5375    1.4625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1792    1.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4583    3.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458    3.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333    2.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042    2.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0042    1.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792    3.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2917    2.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4167    0.7750    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.1750    2.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9917    2.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4042    2.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  8  1  0  0  0  0
  7  1  1  0  0  0  0
  8 18  1  0  0  0  0
  9  6  1  0  0  0  0
 10  4  1  0  0  0  0
 11  3  1  0  0  0  0
 12 15  1  0  0  0  0
 13  6  2  0  0  0  0
 14  9  1  0  0  0  0
 15  7  2  0  0  0  0
 16 10  1  0  0  0  0
 17 10  2  0  0  0  0
 18 21  2  0  0  0  0
 19 14  2  0  0  0  0
 20 16  2  0  0  0  0
 21 17  1  0  0  0  0
 22 19  1  0  0  0  0
 23  9  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
  4  5  2  0  0  0  0
 12 11  2  0  0  0  0
 20 18  1  0  0  0  0
 19 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,972)
1972

>  <Formula> (1,972)
C19H13ClN4O

>  <MolWeight> (1,972)
348.78572

>  <COMPOUND_NAME> (1,972)
WAY-332941

>  <BAR_CODE_NO> (1,972)
307942

$$$$
WAY-643485
csChFnd80/06171916322D

 32 35  0  0  0  0  0  0  0  0999 V2000
    3.0125   -1.0667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7250   -1.4792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2917   -0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5792    0.5833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667    0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2750    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542    0.5833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1333    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6000   -1.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4250   -0.3542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4208    0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9875    0.1708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2917    0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5583    0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1333    1.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7083    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5792   -1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8458    0.1708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8458    1.8208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667   -0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2750    1.4083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1542   -2.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4208    1.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7250   -2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4417   -1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7083    1.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542    1.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1542   -1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4417   -2.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5625    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5625    1.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667    1.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4 13  1  0  0  0  0
  5 20  1  0  0  0  0
  6 14  1  0  0  0  0
  7  5  1  0  0  0  0
  8 11  1  0  0  0  0
  9  1  2  0  0  0  0
 10  1  2  0  0  0  0
 11 16  2  0  0  0  0
 12  6  1  0  0  0  0
 13  3  2  0  0  0  0
 14  7  1  0  0  0  0
 15 23  1  0  0  0  0
 16 12  1  0  0  0  0
 17  3  1  0  0  0  0
 18  8  1  0  0  0  0
 19 15  1  0  0  0  0
 20 17  2  0  0  0  0
 21  6  2  0  0  0  0
 22 28  1  0  0  0  0
 23 26  2  0  0  0  0
 24  2  1  0  0  0  0
 25  2  1  0  0  0  0
 26 16  1  0  0  0  0
 27  7  1  0  0  0  0
 28 25  1  0  0  0  0
 29 24  1  0  0  0  0
 30 18  1  0  0  0  0
 31 19  1  0  0  0  0
 32 27  1  0  0  0  0
 22 29  1  0  0  0  0
  5  4  2  0  0  0  0
 15  8  2  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (1,973)
1973

>  <Formula> (1,973)
C21H26N4O6S

>  <MolWeight> (1,973)
462.51934

>  <COMPOUND_NAME> (1,973)
WAY-643485

>  <BAR_CODE_NO> (1,973)
90478057

$$$$
WAY-332765
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
    6.9889    9.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8740    6.8598    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5893    8.2345    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.9372    8.7231    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4433    4.1183    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6249    9.1672    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.3052    9.2096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2630    8.6645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7158    2.7435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1204    7.8530    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.4498   10.0191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8262    5.9190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1781    6.4196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4708    5.0691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1048    4.5604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7003   11.0123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7452    7.8772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8330   10.0090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.6766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5702    9.1732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6620    1.8189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4239   10.0090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1402    7.8631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3478    2.2550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3342   10.5177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0381    2.3195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9547    0.4441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3061    1.3263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3187    0.9448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2831    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  6  1  0  0  0  0
  4  1  1  0  0  0  0
  5 14  1  0  0  0  0
  6  4  1  0  0  0  0
  7  1  1  0  0  0  0
  8  3  1  0  0  0  0
  9  5  1  0  0  0  0
 10  8  1  0  0  0  0
 11  7  1  0  0  0  0
 12  2  1  0  0  0  0
 13  2  1  0  0  0  0
 14 13  1  0  0  0  0
 15 12  1  0  0  0  0
 16  1  2  0  0  0  0
 17  7  2  0  0  0  0
 18  8  2  0  0  0  0
 19 10  1  0  0  0  0
 20 11  1  0  0  0  0
 21  9  2  0  0  0  0
 22 18  1  0  0  0  0
 23 17  1  0  0  0  0
 24 21  1  0  0  0  0
 25  6  1  0  0  0  0
 26  9  1  0  0  0  0
 27 21  1  0  0  0  0
 28 24  1  0  0  0  0
 29 26  2  0  0  0  0
 30 29  1  0  0  0  0
 23 20  2  0  0  0  0
 22 19  2  0  0  0  0
 15  5  1  0  0  0  0
 27 30  2  0  0  0  0
M  END
>  <Mol_ID> (1,974)
1974

>  <Formula> (1,974)
C23H27N3O3S

>  <MolWeight> (1,974)
425.54378

>  <COMPOUND_NAME> (1,974)
WAY-332765

>  <BAR_CODE_NO> (1,974)
307766

$$$$
WAY-333018
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -3.1833    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1833    2.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5833    1.5250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8208    1.8625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5833    2.1958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8250    1.4458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8250    2.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4625    2.0708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4625    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7333    1.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0958    2.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583    2.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8250    2.6958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5708    2.6750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3750    2.2708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1583    2.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0125    2.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7375    1.6458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1458    1.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4708    0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0125    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0458    0.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6250    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2958    0.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2083   -0.0250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  9  1  0  0  0  0
  9  6  2  0  0  0  0
 10  3  1  0  0  0  0
 11  8  1  0  0  0  0
 12 11  1  0  0  0  0
 13 23  1  0  0  0  0
 14  7  2  0  0  0  0
 15 13  1  0  0  0  0
 16 12  1  0  0  0  0
 17 13  2  0  0  0  0
 18 15  1  0  0  0  0
 19 17  1  0  0  0  0
 20 12  2  0  0  0  0
 21 10  2  0  0  0  0
 22 10  1  0  0  0  0
 23 16  1  0  0  0  0
 24 25  1  0  0  0  0
 25 22  2  0  0  0  0
 26 21  1  0  0  0  0
 27 24  1  0  0  0  0
  5  4  2  0  0  0  0
  8  7  1  0  0  0  0
 26 24  2  0  0  0  0
 19 18  2  0  0  0  0
M  END
>  <Mol_ID> (1,975)
1975

>  <Formula> (1,975)
C17H13FN6O3

>  <MolWeight> (1,975)
368.3219232

>  <COMPOUND_NAME> (1,975)
WAY-333018

>  <BAR_CODE_NO> (1,975)
308019

$$$$
CL-260433
csChFnd80/06171916322D

 11 12  0  0  0  0  0  0  0  0999 V2000
    0.1307   -0.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1307    0.1207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1106   -0.3103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4100   -0.2586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1106    0.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4100    0.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3589   -0.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5687   -0.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3589    0.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1106    0.5414    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.6003   -0.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  7 11  1  0  0  0  0
  6  8  2  0  0  0  0
  7  9  1  0  0  0  0
M  END
>  <Mol_ID> (1,976)
1976

>  <Formula> (1,976)
C6H5ClN4

>  <MolWeight> (1,976)
168.5837

>  <COMPOUND_NAME> (1,976)
CL-260433

>  <BAR_CODE_NO> (1,976)
90479416

$$$$
WAY-329719
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
    4.9250   -5.9542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9250   -6.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6250   -5.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1500   -7.0542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1500   -5.6917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6250   -7.2250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3292   -5.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6667   -6.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6250   -4.6917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6292   -3.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3292   -6.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6292   -2.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9042   -4.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3500   -4.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3500   -3.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9125   -3.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3542   -1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0625   -2.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8542   -6.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0417   -7.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9250   -1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3542   -0.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7792   -1.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9250   -0.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6417   -0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  2  0  0  0  0
  8  5  2  0  0  0  0
  9  3  1  0  0  0  0
 10 15  1  0  0  0  0
 11  7  1  0  0  0  0
 12 10  1  0  0  0  0
 13  9  1  0  0  0  0
 14  9  1  0  0  0  0
 15 14  1  0  0  0  0
 16 13  1  0  0  0  0
 17 12  2  0  0  0  0
 18 17  1  0  0  0  0
 19  8  1  0  0  0  0
 20 11  1  0  0  0  0
 21 12  1  0  0  0  0
 22 17  1  0  0  0  0
 23 18  1  0  0  0  0
 24 21  2  0  0  0  0
 25 24  1  0  0  0  0
  4  8  1  0  0  0  0
 11  6  2  0  0  0  0
 10 16  1  0  0  0  0
 25 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,977)
1977

>  <Formula> (1,977)
C18H22N6O

>  <MolWeight> (1,977)
338.40688

>  <COMPOUND_NAME> (1,977)
WAY-329719

>  <BAR_CODE_NO> (1,977)
304720

$$$$
WL-231219
csChFnd80/06171916322D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -1.2908   -0.7231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2908    0.1006    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5804   -1.1280    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0801   -0.9770    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5804    0.5226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0801    0.3614    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1300   -0.7231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5708   -0.3112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1300    0.1006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5804    1.3463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8472   -1.1314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8472    0.5158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5611    0.1006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2715    0.5089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9819    0.1006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2852    1.3360    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
  6  8  2  0  0  0  0
  7  9  1  0  0  0  0
M  END
>  <Mol_ID> (1,978)
1978

>  <Formula> (1,978)
C10H12N4O2

>  <MolWeight> (1,978)
220.22788

>  <COMPOUND_NAME> (1,978)
WL-231219

>  <BAR_CODE_NO> (1,978)
90477449

$$$$
WAY-329107
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
    4.8500   -9.0875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3500   -8.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3542   -6.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3667   -8.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3792   -6.4625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8750   -5.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6750   -8.7167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7042   -5.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6625   -7.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8750  -10.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3917  -11.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8542   -9.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8542   -5.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8917   -3.8792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4042  -13.4042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8792  -10.7875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6875   -4.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9875   -6.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708   -4.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9167  -14.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9292  -14.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8750   -3.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3250   -6.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4042  -13.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9375  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8042   -5.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3500   -3.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8292   -3.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  2  1  0  0  0  0
  8  3  1  0  0  0  0
  9  7  1  0  0  0  0
 10  1  1  0  0  0  0
 11 10  1  0  0  0  0
 12  4  2  0  0  0  0
 13  5  1  0  0  0  0
 14  6  2  0  0  0  0
 15 11  1  0  0  0  0
 16 11  2  0  0  0  0
 17  8  1  0  0  0  0
 18  9  1  0  0  0  0
 19 18  1  0  0  0  0
 20 15  1  0  0  0  0
 21 15  1  0  0  0  0
 22 13  1  0  0  0  0
 23 13  2  0  0  0  0
 24 20  1  0  0  0  0
 25 21  1  0  0  0  0
 26 23  1  0  0  0  0
 27 22  2  0  0  0  0
 28 26  2  0  0  0  0
  6  3  1  0  0  0  0
  8  9  2  0  0  0  0
 19 17  1  0  0  0  0
 28 27  1  0  0  0  0
M  END
>  <Mol_ID> (1,979)
1979

>  <Formula> (1,979)
C21H23N3O3S

>  <MolWeight> (1,979)
397.49062

>  <COMPOUND_NAME> (1,979)
WAY-329107

>  <BAR_CODE_NO> (1,979)
304108

$$$$
WAY-616889
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.6625   -0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6625   -0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0500   -1.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0500    0.3417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4458    0.1833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4458   -1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667   -0.8958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9333   -0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667   -0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1958    1.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0500   -2.1333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1958    2.4042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9083    1.1667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792    1.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792    0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7542   -0.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792    2.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9083    2.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6042   -1.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0875   -1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  9  1  0  0  0  0
  8  5  1  0  0  0  0
  9  4  2  0  0  0  0
 10 14  1  0  0  0  0
 11  3  2  0  0  0  0
 12 10  1  0  0  0  0
 13 10  2  0  0  0  0
 14 15  1  0  0  0  0
 15  9  1  0  0  0  0
 16  6  1  0  0  0  0
 17  8  1  0  0  0  0
 18 12  1  0  0  0  0
 19 12  1  0  0  0  0
 20 16  1  0  0  0  0
 21 17  1  0  0  0  0
  8  6  2  0  0  0  0
  3  7  1  0  0  0  0
 21 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,980)
1980

>  <Formula> (1,980)
C15H19N3O2S

>  <MolWeight> (1,980)
305.39526

>  <COMPOUND_NAME> (1,980)
WAY-616889

>  <BAR_CODE_NO> (1,980)
90450888

$$$$
WAY-329119
csChFnd80/06171916322D

 32 35  0  0  0  0  0  0  0  0999 V2000
    7.8417   -4.8625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1750   -3.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2042   -1.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4875   -1.9792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4875   -3.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8500   -1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3375   -4.4792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.3750   -1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2250   -2.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0917   -1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8667   -6.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7042   -2.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0917   -4.8292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8500    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2292   -7.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3292   -1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1250    0.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3417    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5750   -6.8417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7292    1.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2667   -9.6542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1417    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5542   -3.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0542  -13.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9500   -2.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000    1.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6042  -10.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6625  -12.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1042  -15.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4667    1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2875   -1.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6917    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  2  1  0  0  0  0
  8  3  1  0  0  0  0
  9  7  1  0  0  0  0
 10  4  1  0  0  0  0
 11  1  1  0  0  0  0
 12 10  2  0  0  0  0
 13  5  2  0  0  0  0
 14  6  2  0  0  0  0
 15 11  1  0  0  0  0
 16 12  1  0  0  0  0
 17 10  1  0  0  0  0
 18 20  1  0  0  0  0
 19 15  2  0  0  0  0
 20 17  2  0  0  0  0
 21 15  1  0  0  0  0
 22  8  1  0  0  0  0
 23  9  1  0  0  0  0
 24 28  1  0  0  0  0
 25 16  1  0  0  0  0
 26 18  1  0  0  0  0
 27 21  1  0  0  0  0
 28 27  1  0  0  0  0
 29 24  1  0  0  0  0
 30 22  1  0  0  0  0
 31 23  1  0  0  0  0
 32 31  1  0  0  0  0
  3  6  1  0  0  0  0
  8  9  2  0  0  0  0
 16 18  2  0  0  0  0
 32 30  1  0  0  0  0
M  END
>  <Mol_ID> (1,981)
1981

>  <Formula> (1,981)
C24H29N3O4S

>  <MolWeight> (1,981)
455.56976

>  <COMPOUND_NAME> (1,981)
WAY-329119

>  <BAR_CODE_NO> (1,981)
304120

$$$$
WAY-329104
csChFnd80/06171916322D

 32 35  0  0  0  0  0  0  0  0999 V2000
   -9.9417    3.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3292    4.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3292    6.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5708    4.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5500    6.2917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9417    7.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8292    4.2292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8208    6.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7417    5.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9417    2.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1792    7.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3292    1.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1542    3.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9417    8.6875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3292   -0.0917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7042    2.3083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8208    6.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1792    8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4583    8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4792    8.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4583    7.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8208    9.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.3417    5.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0875    9.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6875   -0.8917    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.7083    8.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.0792   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6875   -2.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.0875    8.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0000    7.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3375    9.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.0792    1.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  2  1  0  0  0  0
  8  3  1  0  0  0  0
  9  7  1  0  0  0  0
 10  1  1  0  0  0  0
 11  5  1  0  0  0  0
 12 10  1  0  0  0  0
 13  4  2  0  0  0  0
 14  6  2  0  0  0  0
 15 12  1  0  0  0  0
 16 12  2  0  0  0  0
 17 11  1  0  0  0  0
 18 11  2  0  0  0  0
 19 22  2  0  0  0  0
 20  8  1  0  0  0  0
 21 17  2  0  0  0  0
 22 18  1  0  0  0  0
 23  9  1  0  0  0  0
 24 19  1  0  0  0  0
 25 15  1  0  0  0  0
 26 24  1  0  0  0  0
 27 25  1  0  0  0  0
 28 25  1  0  0  0  0
 29 20  1  0  0  0  0
 30 23  1  0  0  0  0
 31 26  1  0  0  0  0
 32 27  1  0  0  0  0
  6  3  1  0  0  0  0
  9  8  2  0  0  0  0
 21 19  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (1,982)
1982

>  <Formula> (1,982)
C24H29N3O4S

>  <MolWeight> (1,982)
455.56976

>  <COMPOUND_NAME> (1,982)
WAY-329104

>  <BAR_CODE_NO> (1,982)
304105

$$$$
WAY-331203
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
    3.6378    7.5398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6317    8.9320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4211    6.8377    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2206    8.9320    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2206    7.5318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4211    9.6523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9654    7.1141    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7805    8.2541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9492    9.3799    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0013    3.4259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2971    4.6264    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2971    2.2153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1807    8.2601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8808    7.0637    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.8317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4211   11.0424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8742    0.9402    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3975    3.4380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9171    2.0580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9832    5.8591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8949    4.6264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8513    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6266    0.7021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4211    5.4415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.6341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1807    5.8430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2810    7.0637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3769   10.7155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4367   11.7284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  2  0  0  0  0
  9  2  1  0  0  0  0
 10 11  1  0  0  0  0
 11 20  1  0  0  0  0
 12 10  1  0  0  0  0
 13  8  1  0  0  0  0
 14 13  1  0  0  0  0
 15  5  2  0  0  0  0
 16  6  2  0  0  0  0
 17 12  1  0  0  0  0
 18 10  2  0  0  0  0
 19 12  2  0  0  0  0
 20 27  1  0  0  0  0
 21 26  1  0  0  0  0
 22 17  1  0  0  0  0
 23 19  1  0  0  0  0
 24  3  1  0  0  0  0
 25  4  1  0  0  0  0
 26 14  1  0  0  0  0
 27 14  1  0  0  0  0
 28  9  1  0  0  0  0
 29 28  1  0  0  0  0
  9  8  1  0  0  0  0
  4  6  1  0  0  0  0
 11 21  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,983)
1983

>  <Formula> (1,983)
C19H24N6O4

>  <MolWeight> (1,983)
400.43166

>  <COMPOUND_NAME> (1,983)
WAY-331203

>  <BAR_CODE_NO> (1,983)
306204

$$$$
WAY-331205
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
    3.6354    7.5393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6265    8.9331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4177    6.8391    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2155    8.9331    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2155    7.5327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4177    9.6532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9609    7.1166    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7756    8.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9455    9.3801    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9989    3.4261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2921    4.6284    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2921    2.2173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1760    8.2594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8784    7.0637    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.8325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4177   11.0404    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8734    0.9424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3927    3.4394    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9115    2.0588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9791    5.8593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8917    4.6284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8473    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6208    0.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4177    5.4409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1760    5.8438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2789    7.0637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3727   10.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4413   11.7274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8398   13.0463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  2  0  0  0  0
  9  2  1  0  0  0  0
 10 11  1  0  0  0  0
 11 20  1  0  0  0  0
 12 10  1  0  0  0  0
 13  8  1  0  0  0  0
 14 13  1  0  0  0  0
 15  5  2  0  0  0  0
 16  6  2  0  0  0  0
 17 12  1  0  0  0  0
 18 10  2  0  0  0  0
 19 12  2  0  0  0  0
 20 27  1  0  0  0  0
 21 26  1  0  0  0  0
 22 17  1  0  0  0  0
 23 19  1  0  0  0  0
 24  3  1  0  0  0  0
 25  4  1  0  0  0  0
 26 14  1  0  0  0  0
 27 14  1  0  0  0  0
 28  9  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
  9  8  1  0  0  0  0
  4  6  1  0  0  0  0
 11 21  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,984)
1984

>  <Formula> (1,984)
C20H26N6O4

>  <MolWeight> (1,984)
414.45824

>  <COMPOUND_NAME> (1,984)
WAY-331205

>  <BAR_CODE_NO> (1,984)
306206

$$$$
WAY-331207
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
   -6.9208    4.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9375    7.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9708    3.7958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0042    7.3167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0042    4.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9708    8.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6875    4.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3208    6.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7167    8.0667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -1.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6042    0.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6042   -4.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9583    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2250    4.1667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0542    3.7833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9708   10.8667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5875   -6.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1500   -1.9417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792   -4.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7667    2.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2500    0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8542   -7.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083   -6.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9708    1.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0542    8.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9583    2.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5875    4.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9958   10.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5833   12.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8583   14.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4375   16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  2  0  0  0  0
  9  2  1  0  0  0  0
 10 11  1  0  0  0  0
 11 20  1  0  0  0  0
 12 10  1  0  0  0  0
 13  8  1  0  0  0  0
 14 13  1  0  0  0  0
 15  5  2  0  0  0  0
 16  6  2  0  0  0  0
 17 12  1  0  0  0  0
 18 10  2  0  0  0  0
 19 12  2  0  0  0  0
 20 27  1  0  0  0  0
 21 26  1  0  0  0  0
 22 17  1  0  0  0  0
 23 19  1  0  0  0  0
 24  3  1  0  0  0  0
 25  4  1  0  0  0  0
 26 14  1  0  0  0  0
 27 14  1  0  0  0  0
 28  9  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
  9  8  1  0  0  0  0
  4  6  1  0  0  0  0
 11 21  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,985)
1985

>  <Formula> (1,985)
C21H28N6O4

>  <MolWeight> (1,985)
428.48482

>  <COMPOUND_NAME> (1,985)
WAY-331207

>  <BAR_CODE_NO> (1,985)
306208

$$$$
WAY-331208
csChFnd80/06171916322D

 34 38  0  0  0  0  0  0  0  0999 V2000
   -6.9375    7.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9208    4.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9708    3.7958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0042    7.3167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7167    8.0667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0042    4.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9708    8.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6875    4.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3208    6.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -1.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6042    0.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6042   -4.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9583    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2250    4.1667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9958   10.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0542    3.7833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9708   10.8667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5875   -6.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1500   -1.9417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792   -4.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7667    2.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2500    0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8542   -7.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083   -6.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9708    1.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0542    8.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9583    2.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5875    4.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5708   12.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8958   14.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9042   11.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4667   16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5000   13.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7792   15.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  7  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  5  1  0  0  0  0
 10 11  1  0  0  0  0
 11 21  1  0  0  0  0
 12 10  1  0  0  0  0
 13  9  1  0  0  0  0
 14 13  1  0  0  0  0
 15  5  1  0  0  0  0
 16  6  2  0  0  0  0
 17  7  2  0  0  0  0
 18 12  1  0  0  0  0
 19 10  2  0  0  0  0
 20 12  2  0  0  0  0
 21 28  1  0  0  0  0
 22 27  1  0  0  0  0
 23 18  1  0  0  0  0
 24 20  1  0  0  0  0
 25  3  1  0  0  0  0
 26  4  1  0  0  0  0
 27 14  1  0  0  0  0
 28 14  1  0  0  0  0
 29 15  1  0  0  0  0
 30 29  2  0  0  0  0
 31 29  1  0  0  0  0
 32 30  1  0  0  0  0
 33 31  2  0  0  0  0
 34 33  1  0  0  0  0
  9  8  2  0  0  0  0
  6  3  1  0  0  0  0
 34 32  2  0  0  0  0
 11 22  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (1,986)
1986

>  <Formula> (1,986)
C24H26N6O4

>  <MolWeight> (1,986)
462.50104

>  <COMPOUND_NAME> (1,986)
WAY-331208

>  <BAR_CODE_NO> (1,986)
306209

$$$$
WAY-331211
csChFnd80/06171916322D

 35 39  0  0  0  0  0  0  0  0999 V2000
   -6.9375    7.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9208    4.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9708    3.7958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7167    8.0667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0042    7.3167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0042    4.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9708    8.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6875    4.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3208    6.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -1.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9958   10.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6042    0.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6042   -4.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9583    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2250    4.1667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0542    3.7833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5833   12.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9708   10.8667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5875   -6.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1500   -1.9417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792   -4.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7667    2.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2500    0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8542   -7.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083   -6.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9708    1.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0542    8.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8583   14.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9583    2.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5875    4.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8917   11.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5708   14.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4542   16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4708   13.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7583   15.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  7  1  0  0  0  0
  6  5  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  4  1  0  0  0  0
 10 12  1  0  0  0  0
 11  4  1  0  0  0  0
 12 22  1  0  0  0  0
 13 10  1  0  0  0  0
 14  9  1  0  0  0  0
 15 14  1  0  0  0  0
 16  6  2  0  0  0  0
 17 11  1  0  0  0  0
 18  7  2  0  0  0  0
 19 13  1  0  0  0  0
 20 10  2  0  0  0  0
 21 13  2  0  0  0  0
 22 30  1  0  0  0  0
 23 29  1  0  0  0  0
 24 19  1  0  0  0  0
 25 21  1  0  0  0  0
 26  3  1  0  0  0  0
 27  5  1  0  0  0  0
 28 17  2  0  0  0  0
 29 15  1  0  0  0  0
 30 15  1  0  0  0  0
 31 17  1  0  0  0  0
 32 28  1  0  0  0  0
 33 28  1  0  0  0  0
 34 31  2  0  0  0  0
 35 34  1  0  0  0  0
  9  8  2  0  0  0  0
  6  3  1  0  0  0  0
 35 33  2  0  0  0  0
 12 23  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (1,987)
1987

>  <Formula> (1,987)
C25H28N6O4

>  <MolWeight> (1,987)
476.52762

>  <COMPOUND_NAME> (1,987)
WAY-331211

>  <BAR_CODE_NO> (1,987)
306212

$$$$
WAY-642585-A
csChFnd80/06171916322D

 21 24  0  0  0  0  0  0  0  0999 V2000
    3.7375    0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5167   -0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0042    0.4250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7375    0.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5167    1.0958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0667   -0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7750   -1.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2792   -0.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0667   -1.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5625   -1.2792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0667    1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8000   -0.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2917   -1.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2792   -1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5625   -2.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7750   -2.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1542    2.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167    0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    1.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4875    2.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292    2.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  2  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  6  2  0  0  0  0
  9  6  1  0  0  0  0
 10  7  1  0  0  0  0
 11  4  1  0  0  0  0
 12  8  1  0  0  0  0
 13  7  2  0  0  0  0
 14  9  1  0  0  0  0
 15 10  1  0  0  0  0
 16 13  1  0  0  0  0
 17 11  1  0  0  0  0
 18 11  2  0  0  0  0
 19 18  1  0  0  0  0
 20 17  2  0  0  0  0
 21 20  1  0  0  0  0
  5  3  1  0  0  0  0
 14 12  2  0  0  0  0
 15 16  2  0  0  0  0
 19 21  2  0  0  0  0
M  END
>  <Mol_ID> (1,988)
1988

>  <Formula> (1,988)
C16H12N4S

>  <MolWeight> (1,988)
292.35828

>  <COMPOUND_NAME> (1,988)
WAY-642585-A

>  <BAR_CODE_NO> (1,988)
90477146

$$$$
WAY-624704
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -1.1833    0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4000    1.1083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4000    1.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4375    0.0708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6708    1.5208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833    2.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8875   -0.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833   -0.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042    3.3833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458   -1.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5875   -1.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167   -3.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167   -1.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458   -2.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667   -2.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958   -3.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667   -3.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6917    2.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8500    3.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0167    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1792    3.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8750   -3.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7  4  1  0  0  0  0
  8  3  1  0  0  0  0
  9  7  2  0  0  0  0
 10 20  2  0  0  0  0
 11  7  1  0  0  0  0
 12 11  1  0  0  0  0
 13 17  2  0  0  0  0
 14 12  1  0  0  0  0
 15 12  2  0  0  0  0
 16 14  2  0  0  0  0
 17 15  1  0  0  0  0
 18 13  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21  8  1  0  0  0  0
 22  8  2  0  0  0  0
 23 18  1  0  0  0  0
  6  3  2  0  0  0  0
 10 19  1  0  0  0  0
 16 13  1  0  0  0  0
M  END
>  <Mol_ID> (1,989)
1989

>  <Formula> (1,989)
C17H15N3O2S

>  <MolWeight> (1,989)
325.3849

>  <COMPOUND_NAME> (1,989)
WAY-624704

>  <BAR_CODE_NO> (1,989)
90458880

$$$$
WAY-624857
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    0.2750    1.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1375   -2.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2750    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9875    1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958   -1.5292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458    2.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6208   -2.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7042    1.4250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6875   -2.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2750   -1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1583    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9875    2.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9417   -1.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458    1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7042    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9875    0.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1583    1.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4458   -2.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2750   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458    3.4875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.2875   -3.7417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8708    1.0125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7708   -4.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5 10  1  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8  4  1  0  0  0  0
  9 13  1  0  0  0  0
 10 19  1  0  0  0  0
 11 17  1  0  0  0  0
 12  3  2  0  0  0  0
 13 10  2  0  0  0  0
 14  1  1  0  0  0  0
 15  8  2  0  0  0  0
 16  4  1  0  0  0  0
 17 14  2  0  0  0  0
 18  7  2  0  0  0  0
 19 16  1  0  0  0  0
 20  6  1  0  0  0  0
 21  7  1  0  0  0  0
 22 17  1  0  0  0  0
 23 21  1  0  0  0  0
 11  6  2  0  0  0  0
 15 12  1  0  0  0  0
  9  2  2  0  0  0  0
M  END
>  <Mol_ID> (1,990)
1990

>  <Formula> (1,990)
C15H10Cl2N2O4

>  <MolWeight> (1,990)
353.1569

>  <COMPOUND_NAME> (1,990)
WAY-624857

>  <BAR_CODE_NO> (1,990)
90459035

$$$$
WAY-643387
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.9089   -0.5945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1464   -0.5945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9089    0.4139    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0130   -1.0736    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5828    0.3930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7161   -1.0736    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5828   -0.5945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1464    0.3930    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7161    0.8930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7714   -1.0736    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4453    0.8930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7714    0.9139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4453   -1.0736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6339    0.4139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3078    0.3930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3078   -0.5945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6339   -0.5945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7714    1.9139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7161    1.9014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1911    0.8930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1911   -1.0736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4964   -1.0736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  9  1  0  0  0  0
  6  2  2  0  0  0  0
  7  6  1  0  0  0  0
  8  2  1  0  0  0  0
  9  8  2  0  0  0  0
 10  1  1  0  0  0  0
 11  5  1  0  0  0  0
 12  3  1  0  0  0  0
 13  7  1  0  0  0  0
 14 12  2  0  0  0  0
 15 11  2  0  0  0  0
 16 13  2  0  0  0  0
 17 10  2  0  0  0  0
 18 12  1  0  0  0  0
 19  9  1  0  0  0  0
 20 15  1  0  0  0  0
 21 16  1  0  0  0  0
 22 17  1  0  0  0  0
 14 17  1  0  0  0  0
  5  7  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,991)
1991

>  <Formula> (1,991)
C16H17N5O

>  <MolWeight> (1,991)
295.33908

>  <COMPOUND_NAME> (1,991)
WAY-643387

>  <BAR_CODE_NO> (1,991)
90477958

$$$$
WAY-624921
csChFnd80/06171916322D

 30 34  0  0  0  0  0  0  0  0999 V2000
   -0.9958    0.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4833    0.1083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4833    1.4458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1708    0.7750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2625    0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2250   -0.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2625    1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792    0.7750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208   -0.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417    0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417    1.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667    1.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667    0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3042    0.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292   -0.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1625   -1.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9833   -0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9833    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7167    1.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7167    0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7125   -2.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6417   -1.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6958    0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6958    1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5417    0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583   -3.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000   -2.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5417    1.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9542    0.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3417   -3.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8 12  1  0  0  0  0
  9  6  1  0  0  0  0
 10  4  1  0  0  0  0
 11  4  1  0  0  0  0
 12 11  1  0  0  0  0
 13 10  1  0  0  0  0
 14  8  1  0  0  0  0
 15  9  2  0  0  0  0
 16  9  1  0  0  0  0
 17  5  1  0  0  0  0
 18  7  1  0  0  0  0
 19 14  2  0  0  0  0
 20 14  1  0  0  0  0
 21 16  1  0  0  0  0
 22 16  2  0  0  0  0
 23 17  2  0  0  0  0
 24 18  2  0  0  0  0
 25 20  2  0  0  0  0
 26 21  2  0  0  0  0
 27 22  1  0  0  0  0
 28 19  1  0  0  0  0
 29 25  1  0  0  0  0
 30 27  2  0  0  0  0
  5  7  2  0  0  0  0
  8 13  1  0  0  0  0
 23 24  1  0  0  0  0
 30 26  1  0  0  0  0
 29 28  2  0  0  0  0
M  END
>  <Mol_ID> (1,992)
1992

>  <Formula> (1,992)
C25H24N4O

>  <MolWeight> (1,992)
396.48426

>  <COMPOUND_NAME> (1,992)
WAY-624921

>  <BAR_CODE_NO> (1,992)
90459101

$$$$
WAY-616126
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
    1.1542    0.7917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5667    1.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7417    0.0750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8083   -1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208   -2.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8083   -2.7333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3917    1.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542    2.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8042    2.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5667    2.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5917   -1.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5917   -2.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4375    1.2042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8667    0.3792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833   -1.3542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3917    2.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833    0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542   -0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958   -2.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7417   -1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958   -0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8042    0.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292    2.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6292    2.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542    3.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3042   -1.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3042   -2.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0208   -2.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0208   -1.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  5  2  0  0  0  0
  5 19  1  0  0  0  0
  6  5  1  0  0  0  0
  7  2  1  0  0  0  0
  8  2  2  0  0  0  0
  9  7  2  0  0  0  0
 10  8  1  0  0  0  0
 11  4  1  0  0  0  0
 12  6  1  0  0  0  0
 13  1  2  0  0  0  0
 14  1  2  0  0  0  0
 15 20  1  0  0  0  0
 16 10  2  0  0  0  0
 17  3  1  0  0  0  0
 18  3  1  0  0  0  0
 19 15  1  0  0  0  0
 20 18  1  0  0  0  0
 21 17  1  0  0  0  0
 22  7  1  0  0  0  0
 23  8  1  0  0  0  0
 24  9  1  0  0  0  0
 25 10  1  0  0  0  0
 26 11  1  0  0  0  0
 27 12  1  0  0  0  0
 28 27  2  0  0  0  0
 29 26  2  0  0  0  0
 21 15  1  0  0  0  0
  9 16  1  0  0  0  0
 11 12  2  0  0  0  0
 29 28  1  0  0  0  0
M  END
>  <Mol_ID> (1,993)
1993

>  <Formula> (1,993)
C22H28N4O2S

>  <MolWeight> (1,993)
412.54832

>  <COMPOUND_NAME> (1,993)
WAY-616126

>  <BAR_CODE_NO> (1,993)
90450106

$$$$
WAY-623556
csChFnd80/06171916322D

 25 29  0  0  0  0  0  0  0  0999 V2000
    0.1750    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6500    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4417    0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542    1.4708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1333    1.4708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4417    1.2125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1333    0.1333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1125   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208    0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8917    0.1583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042   -0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1125   -0.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3792   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8917   -1.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6333    1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6333   -0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4083   -0.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9542   -1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3500    0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3500    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   -2.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583   -1.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1083   -2.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  1  2  0  0  0  0
  6  2  2  0  0  0  0
  7  5  1  0  0  0  0
  8  2  1  0  0  0  0
  9  4  1  0  0  0  0
 10  6  1  0  0  0  0
 11  8  1  0  0  0  0
 12  9  1  0  0  0  0
 13  3  1  0  0  0  0
 14  9  2  0  0  0  0
 15 12  1  0  0  0  0
 16 14  1  0  0  0  0
 17 10  1  0  0  0  0
 18 11  1  0  0  0  0
 19 13  1  0  0  0  0
 20 13  2  0  0  0  0
 21 18  2  0  0  0  0
 22 17  2  0  0  0  0
 23 20  1  0  0  0  0
 24 19  2  0  0  0  0
 25 23  2  0  0  0  0
  7  4  1  0  0  0  0
 11 10  2  0  0  0  0
 25 24  1  0  0  0  0
 15 16  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,994)
1994

>  <Formula> (1,994)
C20H14N4O

>  <MolWeight> (1,994)
326.35136

>  <COMPOUND_NAME> (1,994)
WAY-623556

>  <BAR_CODE_NO> (1,994)
90457725

$$$$
WAY-641885
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -1.5375   -0.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0208   -0.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0208   -1.6042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7125   -0.9417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8083   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8083   -1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7125    0.4875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    1.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1750    1.2083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5208   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5208   -1.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5250   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7625    0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4125    0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4125    1.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9375    0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2333   -1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2333   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2375    1.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2375    0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6500    1.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8  7  2  0  0  0  0
  9 10  1  0  0  0  0
 10 14  1  0  0  0  0
 11  5  1  0  0  0  0
 12  6  1  0  0  0  0
 13  7  1  0  0  0  0
 14 17  1  0  0  0  0
 15  9  1  0  0  0  0
 16  9  2  0  0  0  0
 17 13  1  0  0  0  0
 18 12  2  0  0  0  0
 19 11  2  0  0  0  0
 20 16  1  0  0  0  0
 21 15  2  0  0  0  0
 22 20  2  0  0  0  0
  6  5  2  0  0  0  0
 18 19  1  0  0  0  0
 22 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,995)
1995

>  <Formula> (1,995)
C17H17N3O2

>  <MolWeight> (1,995)
295.33578

>  <COMPOUND_NAME> (1,995)
WAY-641885

>  <BAR_CODE_NO> (1,995)
90476438

$$$$
WAY-642491
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.2708   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583   -0.9750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583    0.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5375   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5375    0.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7917    0.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500   -1.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667    0.4083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042   -0.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042    1.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9708   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958   -1.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9708    0.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6833   -1.1292    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958   -3.1542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0292    1.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7917    1.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0500   -2.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042    2.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4417    1.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0292    2.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  9  1  0  0  0  0
  7  4  1  0  0  0  0
  8  1  1  0  0  0  0
  9  8  1  0  0  0  0
 10  6  2  0  0  0  0
 11  5  1  0  0  0  0
 12  6  1  0  0  0  0
 13  7  2  0  0  0  0
 14  2  1  0  0  0  0
 15 11  2  0  0  0  0
 16 13  1  0  0  0  0
 17 20  1  0  0  0  0
 18 12  1  0  0  0  0
 19 12  2  0  0  0  0
 20 14  1  0  0  0  0
 21 19  1  0  0  0  0
 22 18  2  0  0  0  0
 23 21  2  0  0  0  0
  4  5  2  0  0  0  0
 13 15  1  0  0  0  0
 23 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,996)
1996

>  <Formula> (1,996)
C17H15ClN2O3

>  <MolWeight> (1,996)
330.7656

>  <COMPOUND_NAME> (1,996)
WAY-642491

>  <BAR_CODE_NO> (1,996)
90477051

$$$$
WAY-641662
csChFnd80/06171916322D

 24 27  0  0  0  0  0  0  0  0999 V2000
    0.2667    0.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4500   -0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667    1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4500    1.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1625    0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1625    1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4500   -0.8750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792   -2.5250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667   -1.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667   -2.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8833   -0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8833    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792   -3.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792    2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6917    1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4500   -2.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5958    0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5958    1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667   -3.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4042    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6917    2.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4500   -3.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4042    2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  2  2  0  0  0  0
  6  4  2  0  0  0  0
  7  2  1  0  0  0  0
  8  3  1  0  0  0  0
  9 11  2  0  0  0  0
 10  7  1  0  0  0  0
 11 10  1  0  0  0  0
 12  5  1  0  0  0  0
 13  6  1  0  0  0  0
 14  9  1  0  0  0  0
 15  8  2  0  0  0  0
 16  8  1  0  0  0  0
 17 11  1  0  0  0  0
 18 12  2  0  0  0  0
 19 13  2  0  0  0  0
 20 23  1  0  0  0  0
 21 16  2  0  0  0  0
 22 15  1  0  0  0  0
 23 17  2  0  0  0  0
 24 21  1  0  0  0  0
  5  6  1  0  0  0  0
 24 22  2  0  0  0  0
 18 19  1  0  0  0  0
 20 14  2  0  0  0  0
M  END
>  <Mol_ID> (1,997)
1997

>  <Formula> (1,997)
C20H16N4

>  <MolWeight> (1,997)
312.36784

>  <COMPOUND_NAME> (1,997)
WAY-641662

>  <BAR_CODE_NO> (1,997)
90476214

$$$$
WAY-616223
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -0.2625    0.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5625    0.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458    1.4333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458    0.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9750    1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9750    0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2625   -2.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8000    1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5333    1.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6750   -1.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5625   -2.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5333    0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5625   -0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2833    2.1458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9750   -1.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2625   -0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5625    2.1958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2833    0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0708    1.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0708    1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6750   -2.8083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9750   -2.8083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -1.3792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2458    1.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2458   -0.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8000   -2.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9125   -0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9625    0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9625    1.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  2  2  0  0  0  0
  7 10  1  0  0  0  0
  8  5  1  0  0  0  0
  9  3  1  0  0  0  0
 10 16  2  0  0  0  0
 11 15  1  0  0  0  0
 12  4  1  0  0  0  0
 13  6  1  0  0  0  0
 14  8  1  0  0  0  0
 15 13  2  0  0  0  0
 16 13  1  0  0  0  0
 17  5  2  0  0  0  0
 18  8  2  0  0  0  0
 19 14  1  0  0  0  0
 20 18  1  0  0  0  0
 21  7  1  0  0  0  0
 22 11  1  0  0  0  0
 23 10  1  0  0  0  0
 24  9  1  0  0  0  0
 25 12  1  0  0  0  0
 26 22  1  0  0  0  0
 27 23  1  0  0  0  0
 28 25  2  0  0  0  0
 29 24  2  0  0  0  0
  9 12  2  0  0  0  0
 29 28  1  0  0  0  0
 11  7  2  0  0  0  0
 20 19  2  0  0  0  0
M  END
>  <Mol_ID> (1,998)
1998

>  <Formula> (1,998)
C22H18N2O4S

>  <MolWeight> (1,998)
406.45432

>  <COMPOUND_NAME> (1,998)
WAY-616223

>  <BAR_CODE_NO> (1,998)
90450204

$$$$
WAY-624895
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.1598   -1.4656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5875   -1.2132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1576   -2.0872    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9987   -0.2163    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0557    0.3977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6650    0.5280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9754   -0.0139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5575   -0.4770    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6198   -1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6198   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4573   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4573   -1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792   -1.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6854    0.7301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4689   -0.0662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3609   -3.1455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7520   -3.0128    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.6734   -2.6049    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5657   -3.5960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6975   -2.3987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2572   -2.1401    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  9  1  1  0  0  0  0
 21  3  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  4  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 12  4  1  0  0  0  0
  5 15  1  0  0  0  0
  7 16  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,999)
1999

>  <Formula> (1,999)
C15H15N5OS

>  <MolWeight> (1,999)
313.3775

>  <COMPOUND_NAME> (1,999)
WAY-624895

>  <BAR_CODE_NO> (1,999)
90459075

$$$$
WAY-642961
csChFnd80/06171916322D

 30 34  0  0  0  0  0  0  0  0999 V2000
   -1.4333    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208    0.4958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208    1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333    1.7333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1458    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1458    1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333   -0.7417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125   -1.9792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125    2.9708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208   -1.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4250   -2.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208   -1.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125   -1.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1417   -1.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8583    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125    1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8583    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4250    2.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8542   -2.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1417   -1.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4250    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5750    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5750    1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8542   -0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5667   -1.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5667   -1.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  6  2  0  0  0  0
  5  1  2  0  0  0  0
  6  5  1  0  0  0  0
  7  3  1  0  0  0  0
  8  1  1  0  0  0  0
  9 16  1  0  0  0  0
 10 17  1  0  0  0  0
 11  8  1  0  0  0  0
 12  9  1  0  0  0  0
 13 11  1  0  0  0  0
 14 11  1  0  0  0  0
 15 13  1  0  0  0  0
 16 14  1  0  0  0  0
 17  7  2  0  0  0  0
 18 12  1  0  0  0  0
 19  5  1  0  0  0  0
 20  7  1  0  0  0  0
 21  6  1  0  0  0  0
 22 25  1  0  0  0  0
 23 18  1  0  0  0  0
 24 18  2  0  0  0  0
 25 20  2  0  0  0  0
 26 19  2  0  0  0  0
 27 26  1  0  0  0  0
 28 24  1  0  0  0  0
 29 23  2  0  0  0  0
 30 28  2  0  0  0  0
  4  3  1  0  0  0  0
  9 15  1  0  0  0  0
 27 21  2  0  0  0  0
 22 10  2  0  0  0  0
 30 29  1  0  0  0  0
M  END
>  <Mol_ID> (2,000)
2000

>  <Formula> (2,000)
C25H25N5

>  <MolWeight> (2,000)
395.4995

>  <COMPOUND_NAME> (2,000)
WAY-642961

>  <BAR_CODE_NO> (2,000)
90477528

$$$$
WAY-623781
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
    1.4250    2.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4250    2.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208   -0.7792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125    1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208   -1.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1417    3.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8542    2.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125    3.3458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1417    1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333   -2.0167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125    0.8708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8542    2.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125   -0.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1417    4.1667    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333   -2.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5667    1.6958    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.1458   -3.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8583   -2.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1458   -4.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8583   -4.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5750   -3.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5750   -4.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  8  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  4  2  0  0  0  0
  8 18  1  0  0  0  0
  9 15  1  0  0  0  0
 10  2  1  0  0  0  0
 11  1  1  0  0  0  0
 12  7  1  0  0  0  0
 13  5  1  0  0  0  0
 14  4  1  0  0  0  0
 15 11  2  0  0  0  0
 16  5  2  0  0  0  0
 17  8  2  0  0  0  0
 18 14  1  0  0  0  0
 19  6  1  0  0  0  0
 20 13  1  0  0  0  0
 21 15  1  0  0  0  0
 22 20  1  0  0  0  0
 23 22  1  0  0  0  0
 24 22  2  0  0  0  0
 25 24  1  0  0  0  0
 26 23  2  0  0  0  0
 27 25  2  0  0  0  0
  6  9  2  0  0  0  0
 12 10  2  0  0  0  0
 27 26  1  0  0  0  0
M  END
>  <Mol_ID> (2,001)
2001

>  <Formula> (2,001)
C18H14Cl2N4O3

>  <MolWeight> (2,001)
405.23476

>  <COMPOUND_NAME> (2,001)
WAY-623781

>  <BAR_CODE_NO> (2,001)
90457952

$$$$
WAY-616047
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    0.7708    1.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7708    2.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0583    1.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4875    2.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583    1.5875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2000    2.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0583    2.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4875    1.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583   -0.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583    2.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0583    0.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2000    1.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708   -1.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0583   -1.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583   -0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4875    3.6500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.9167    1.1750    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708   -2.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1167   -2.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6292   -2.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458   -3.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3000   -3.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833   -3.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9583   -3.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  2  0  0  0  0
  6 12  1  0  0  0  0
  7  2  1  0  0  0  0
  8  1  1  0  0  0  0
  9 15  1  0  0  0  0
 10  5  1  0  0  0  0
 11  3  1  0  0  0  0
 12  8  2  0  0  0  0
 13  9  1  0  0  0  0
 14  9  2  0  0  0  0
 15 11  1  0  0  0  0
 16  4  1  0  0  0  0
 17 12  1  0  0  0  0
 18 13  1  0  0  0  0
 19 18  1  0  0  0  0
 20 18  1  0  0  0  0
 21 20  1  0  0  0  0
 22 19  1  0  0  0  0
 23 22  1  0  0  0  0
 24 21  1  0  0  0  0
  6  4  2  0  0  0  0
  7 10  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (2,002)
2002

>  <Formula> (2,002)
C17H19Cl2N3O2

>  <MolWeight> (2,002)
368.25766

>  <COMPOUND_NAME> (2,002)
WAY-616047

>  <BAR_CODE_NO> (2,002)
90450025

$$$$
WAY-624480
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    0.9167   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000   -0.3250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1875   -1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1875   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7958    1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000   -1.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6208    1.2333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4583    1.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0917   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3833    0.4333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7875    2.0458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0750    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5583    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208   -0.2792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9000   -1.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9000   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208   -1.7042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458    1.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6167   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6167   -1.4042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.9875    3.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3292   -1.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  6  1  0  0  0  0
  4  2  1  0  0  0  0
  5 10  1  0  0  0  0
  6  1  2  0  0  0  0
  7  5  2  0  0  0  0
  8  5  1  0  0  0  0
  9  1  1  0  0  0  0
 10 13  1  0  0  0  0
 11  7  1  0  0  0  0
 12  8  2  0  0  0  0
 13 19  1  0  0  0  0
 14  9  1  0  0  0  0
 15  3  1  0  0  0  0
 16  4  1  0  0  0  0
 17  9  2  0  0  0  0
 18 13  2  0  0  0  0
 19 14  1  0  0  0  0
 20 16  1  0  0  0  0
 21 15  1  0  0  0  0
 22 12  1  0  0  0  0
 23 21  1  0  0  0  0
  3  4  2  0  0  0  0
 20 21  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (2,003)
2003

>  <Formula> (2,003)
C16H18N2O4S

>  <MolWeight> (2,003)
334.39012

>  <COMPOUND_NAME> (2,003)
WAY-624480

>  <BAR_CODE_NO> (2,003)
90458656

$$$$
WAY-333252
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
    8.8719    6.8341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0460    6.8379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7845    6.0610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4533    5.5682    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1208    6.0459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3584    7.4979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1793    7.4099    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8286    7.2263    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9988    5.8008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0303    8.2521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5086    6.6606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6670    8.0711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4816    7.9844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3270    6.5613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6432    7.1358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8253    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5695    7.5092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9090    5.7895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3954    6.3614    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9700    6.3702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1322    7.7983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6072    6.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.6606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9518    7.7053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7896    6.2760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2824    6.9473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  5  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8 13  1  0  0  0  0
  9  3  1  0  0  0  0
 10  6  2  0  0  0  0
 11  7  1  0  0  0  0
 12  7  1  0  0  0  0
 13 12  1  0  0  0  0
 14 11  1  0  0  0  0
 15  8  1  0  0  0  0
 16  9  2  0  0  0  0
 17  2  1  0  0  0  0
 18  5  1  0  0  0  0
 19  9  1  0  0  0  0
 20 15  2  0  0  0  0
 21 15  1  0  0  0  0
 22 19  1  0  0  0  0
 23 22  1  0  0  0  0
 24 21  2  0  0  0  0
 25 20  1  0  0  0  0
 26 24  1  0  0  0  0
  3  4  1  0  0  0  0
 14  8  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <Mol_ID> (2,004)
2004

>  <Formula> (2,004)
C20H25N3O3

>  <MolWeight> (2,004)
355.4308

>  <COMPOUND_NAME> (2,004)
WAY-333252

>  <BAR_CODE_NO> (2,004)
308253

$$$$
WAY-333254
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
    8.8666    6.8332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0432    6.8383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7788    6.0602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4511    5.5666    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1159    6.0476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3539    7.4955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1735    7.4086    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8204    7.2311    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9981    5.8020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6463    7.1329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9611    6.3699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0253    8.2472    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5097    6.6494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6646    8.0696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3256    6.5512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4842    7.9828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8244    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7845    6.2830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5685    7.5068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9041    5.7882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3938    6.3586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1232    5.5364    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   13.1197    7.7939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9432    7.7070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2856    6.9465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6081    6.1093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.6595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  5  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8 16  1  0  0  0  0
  9  3  1  0  0  0  0
 10  8  1  0  0  0  0
 11 10  2  0  0  0  0
 12  6  2  0  0  0  0
 13  7  1  0  0  0  0
 14  7  1  0  0  0  0
 15 13  1  0  0  0  0
 16 14  1  0  0  0  0
 17  9  2  0  0  0  0
 18 11  1  0  0  0  0
 19  2  1  0  0  0  0
 20  5  1  0  0  0  0
 21  9  1  0  0  0  0
 22 18  1  0  0  0  0
 23 10  1  0  0  0  0
 24 23  2  0  0  0  0
 25 24  1  0  0  0  0
 26 21  1  0  0  0  0
 27 26  1  0  0  0  0
  3  4  1  0  0  0  0
 15  8  1  0  0  0  0
 18 25  2  0  0  0  0
M  END
>  <Mol_ID> (2,005)
2005

>  <Formula> (2,005)
C20H24ClN3O3

>  <MolWeight> (2,005)
389.87586

>  <COMPOUND_NAME> (2,005)
WAY-333254

>  <BAR_CODE_NO> (2,005)
308255

$$$$
WAY-329710
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
   11.2417  -12.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2417  -14.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8250  -11.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5000  -14.5917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8250  -14.9292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.4042  -12.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5000  -11.6375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4292  -13.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4042  -14.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8250   -9.4375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.4042   -8.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4125   -3.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4042   -6.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4000   -1.2292    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.8292   -3.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9917   -3.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8375   -5.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9917   -5.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -14.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  2  1  0  0  0  0
  6  3  2  0  0  0  0
  7  1  1  0  0  0  0
  8  7  2  0  0  0  0
  9  6  1  0  0  0  0
 10  3  1  0  0  0  0
 11 10  1  0  0  0  0
 12 16  2  0  0  0  0
 13 11  1  0  0  0  0
 14 12  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 13  1  0  0  0  0
 18 13  2  0  0  0  0
 19  9  1  0  0  0  0
  4  8  1  0  0  0  0
  9  5  2  0  0  0  0
 12 15  1  0  0  0  0
M  END
>  <Mol_ID> (2,006)
2006

>  <Formula> (2,006)
C13H12FN5

>  <MolWeight> (2,006)
257.2662832

>  <COMPOUND_NAME> (2,006)
WAY-329710

>  <BAR_CODE_NO> (2,006)
304711

$$$$
WAY-332850
csChFnd80/06171916322D

 23 26  0  0  0  0  0  0  0  0999 V2000
   -2.3958    2.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6333    2.8708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6333    2.2083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9833    2.5208    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.3375    2.7333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3375    2.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0333    2.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0333    2.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    2.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    2.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958    2.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958    2.0708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4958    1.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6125    2.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3875    2.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3875    2.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2750    3.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5708    2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    2.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    2.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042    2.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1875    2.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1500    2.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7  3  1  0  0  0  0
  8  2  1  0  0  0  0
  9  4  1  0  0  0  0
 10  4  1  0  0  0  0
 11  5  1  0  0  0  0
 12  6  2  0  0  0  0
 13  3  1  0  0  0  0
 14 11  1  0  0  0  0
 15  7  1  0  0  0  0
 16  8  1  0  0  0  0
 17 14  1  0  0  0  0
 18 14  2  0  0  0  0
 19 15  2  0  0  0  0
 20 16  2  0  0  0  0
 21 17  2  0  0  0  0
 22 18  1  0  0  0  0
 23 22  2  0  0  0  0
  7  8  2  0  0  0  0
  6  5  1  0  0  0  0
 20 19  1  0  0  0  0
 23 21  1  0  0  0  0
M  END
>  <Mol_ID> (2,007)
2007

>  <Formula> (2,007)
C19H19N3O

>  <MolWeight> (2,007)
305.37366

>  <COMPOUND_NAME> (2,007)
WAY-332850

>  <BAR_CODE_NO> (2,007)
307851

$$$$
WAY-643296
csChFnd80/06171916322D

 24 27  0  0  0  0  0  0  0  0999 V2000
    0.3542    0.8208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8375    1.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542    2.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4875   -1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1000   -1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292   -1.3875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7625   -0.4917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333    1.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5708   -2.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042    0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417   -3.1750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6625    1.4833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2875   -3.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958   -3.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208   -3.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9000    2.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3125    2.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458    0.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458    2.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667    2.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8583    1.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8583    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  7 12  1  0  0  0  0
  8  7  2  0  0  0  0
  9  1  1  0  0  0  0
 10  9  2  0  0  0  0
 11  4  1  0  0  0  0
 12  1  1  0  0  0  0
 13 11  1  0  0  0  0
 14  2  1  0  0  0  0
 15 11  2  0  0  0  0
 16 13  1  0  0  0  0
 17 15  1  0  0  0  0
 18 22  1  0  0  0  0
 19 18  2  0  0  0  0
 20  9  1  0  0  0  0
 21 10  1  0  0  0  0
 22 14  1  0  0  0  0
 23 20  2  0  0  0  0
 24 23  1  0  0  0  0
 10  3  1  0  0  0  0
  4  5  2  0  0  0  0
 24 21  2  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (2,008)
2008

>  <Formula> (2,008)
C17H14N4OS2

>  <MolWeight> (2,008)
354.44926

>  <COMPOUND_NAME> (2,008)
WAY-643296

>  <BAR_CODE_NO> (2,008)
90477867

$$$$
WAY-332151
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -6.6250    4.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0000    3.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0000    5.5625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6250    3.3292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6542    6.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3625    3.3375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3375    4.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3875    6.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3750    4.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1875    3.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8750    0.1750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7500   -1.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3375    4.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2125    6.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9000    3.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3125    1.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1500    0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7750    1.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8625   -2.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    6.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2250    3.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4250   -1.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1583    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7875    4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9375    3.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9250    6.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4750    4.7500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  -14.2750   -2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0000   -2.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  2  0  0  0  0
  6  2  2  0  0  0  0
  7  1  1  0  0  0  0
  8  3  1  0  0  0  0
  9  8  2  0  0  0  0
 10  7  1  0  0  0  0
 11 17  1  0  0  0  0
 12 11  1  0  0  0  0
 13  9  1  0  0  0  0
 14  7  2  0  0  0  0
 15 10  1  0  0  0  0
 16 10  1  0  0  0  0
 17 16  1  0  0  0  0
 18 15  1  0  0  0  0
 19 12  2  0  0  0  0
 20 13  1  0  0  0  0
 21 13  2  0  0  0  0
 22 12  1  0  0  0  0
 23  5  1  0  0  0  0
 24 25  2  0  0  0  0
 25 21  1  0  0  0  0
 26 20  2  0  0  0  0
 27 24  1  0  0  0  0
 28 22  1  0  0  0  0
 29 28  1  0  0  0  0
  2  3  1  0  0  0  0
 11 18  1  0  0  0  0
  9  6  1  0  0  0  0
 26 24  1  0  0  0  0
M  END
>  <Mol_ID> (2,009)
2009

>  <Formula> (2,009)
C20H21FN4O3S

>  <MolWeight> (2,009)
416.4691432

>  <COMPOUND_NAME> (2,009)
WAY-332151

>  <BAR_CODE_NO> (2,009)
307152

$$$$
WAY-331229
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
    7.6500  -11.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6500  -12.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5917  -13.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8042  -10.7917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5375  -11.1792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5375  -12.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5917  -10.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8125  -12.7667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5292  -11.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1750   -9.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3750  -12.8167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3417   -9.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7542  -11.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4750  -13.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5917   -9.3292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1917  -10.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6917   -8.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5917  -14.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4750  -10.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7667  -13.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5792  -12.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3792  -14.9250    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.2042  -13.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9000   -7.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8667   -7.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6125  -14.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7792  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2500   -6.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2375   -6.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4167   -5.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  7  1  0  0  0  0
  6  5  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  4  1  0  0  0  0
 10  4  1  0  0  0  0
 11 13  1  0  0  0  0
 12 10  1  0  0  0  0
 13  9  1  0  0  0  0
 14  6  2  0  0  0  0
 15  7  2  0  0  0  0
 16 12  2  0  0  0  0
 17 12  1  0  0  0  0
 18  3  1  0  0  0  0
 19  5  1  0  0  0  0
 20 11  1  0  0  0  0
 21 11  1  0  0  0  0
 22 20  1  0  0  0  0
 23 21  1  0  0  0  0
 24 17  2  0  0  0  0
 25 17  1  0  0  0  0
 26 23  1  0  0  0  0
 27 22  1  0  0  0  0
 28 24  1  0  0  0  0
 29 25  2  0  0  0  0
 30 29  1  0  0  0  0
  9  8  2  0  0  0  0
  6  3  1  0  0  0  0
 30 28  2  0  0  0  0
 26 22  1  0  0  0  0
M  END
>  <Mol_ID> (2,010)
2010

>  <Formula> (2,010)
C22H27N5O3

>  <MolWeight> (2,010)
409.48148

>  <COMPOUND_NAME> (2,010)
WAY-331229

>  <BAR_CODE_NO> (2,010)
306230

$$$$
WAY-333201
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
    3.3613    3.6805    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7261    3.9403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3217    6.8041    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.3535    5.2742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6931    6.5686    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4566    4.5280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4698    5.9654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5120    7.6890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0805    9.0098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5978    2.8066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9120    7.6890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2164    9.8154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3412    8.9966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9519    2.3466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2283    3.8148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2283    6.6742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9226    1.3340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.5280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.9654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5132    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  7  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  2  0  0  0  0
  8  5  1  0  0  0  0
  9  8  1  0  0  0  0
 10  2  2  0  0  0  0
 11  8  2  0  0  0  0
 12  9  1  0  0  0  0
 13 11  1  0  0  0  0
 14  1  1  0  0  0  0
 15  6  1  0  0  0  0
 16  7  1  0  0  0  0
 17 14  1  0  0  0  0
 18 15  2  0  0  0  0
 19 18  1  0  0  0  0
 20 17  1  0  0  0  0
  3  5  1  0  0  0  0
 16 19  2  0  0  0  0
 13 12  2  0  0  0  0
M  END
>  <Mol_ID> (2,011)
2011

>  <Formula> (2,011)
C16H17NO2S

>  <MolWeight> (2,011)
287.37668

>  <COMPOUND_NAME> (2,011)
WAY-333201

>  <BAR_CODE_NO> (2,011)
308202

$$$$
WAY-624703
csChFnd80/06171916322D

 32 35  0  0  0  0  0  0  0  0999 V2000
   -0.9833   -1.1292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3250   -0.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0875   -0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8958   -0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1250   -1.5417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417   -0.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1250    0.1083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6958   -1.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8375   -1.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4083   -1.1292    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.0542    3.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8375   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3917    2.3083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6292   -0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417   -0.3625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792   -1.6917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5417    3.7333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4083   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9042    1.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9375    0.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583   -2.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083    0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0792    1.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2417    0.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7542    0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6000    1.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5583   -1.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2292    3.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5583    0.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2708   -1.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2708   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  1  1  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6 11  1  0  0  0  0
  7  2  1  0  0  0  0
  8 19  1  0  0  0  0
  9  1  1  0  0  0  0
 10  6  1  0  0  0  0
 11  9  1  0  0  0  0
 12 14  1  0  0  0  0
 13  8  1  0  0  0  0
 14 20  1  0  0  0  0
 15  7  1  0  0  0  0
 16 15  1  0  0  0  0
 17  7  2  0  0  0  0
 18 12  2  0  0  0  0
 19 11  1  0  0  0  0
 20 24  1  0  0  0  0
 21 16  1  0  0  0  0
 22  3  1  0  0  0  0
 23  5  1  0  0  0  0
 24 27  2  0  0  0  0
 25 26  1  0  0  0  0
 26 21  2  0  0  0  0
 27 21  1  0  0  0  0
 28 10  1  0  0  0  0
 29 12  1  0  0  0  0
 30 13  1  0  0  0  0
 31 28  2  0  0  0  0
 32 30  2  0  0  0  0
  4  2  1  0  0  0  0
 13 10  2  0  0  0  0
 31 32  1  0  0  0  0
 20 25  2  0  0  0  0
M  END
>  <Mol_ID> (2,012)
2012

>  <Formula> (2,012)
C25H26N2O4S

>  <MolWeight> (2,012)
450.54994

>  <COMPOUND_NAME> (2,012)
WAY-624703

>  <BAR_CODE_NO> (2,012)
90458879

$$$$
WAY-624770
csChFnd80/06171916322D

 32 36  0  0  0  0  0  0  0  0999 V2000
   -0.8708   -1.5292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167   -0.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7875   -0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5500    1.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7417    1.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292   -1.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6375    0.8583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208   -1.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3292    1.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8792    0.5250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1667    2.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0208   -1.9417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542    0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0208   -0.2917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5875   -1.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7333   -1.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3000   -1.5292    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.5125    1.0500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0792    3.0583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7333   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9667    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1750    0.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8292    3.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3792    2.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333    0.8833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3000   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4000   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542   -2.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4458   -1.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4458   -0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1583   -1.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1583   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5  9  1  0  0  0  0
  6  8  2  0  0  0  0
  7 10  1  0  0  0  0
  8  1  1  0  0  0  0
  9 18  1  0  0  0  0
 10  9  2  0  0  0  0
 11  4  1  0  0  0  0
 12 17  1  0  0  0  0
 13  2  1  0  0  0  0
 14 26  1  0  0  0  0
 15  1  1  0  0  0  0
 16 12  1  0  0  0  0
 17 15  1  0  0  0  0
 18 22  1  0  0  0  0
 19 11  1  0  0  0  0
 20 14  1  0  0  0  0
 21 11  2  0  0  0  0
 22 13  1  0  0  0  0
 23 19  1  0  0  0  0
 24 21  1  0  0  0  0
 25 13  2  0  0  0  0
 26 17  1  0  0  0  0
 27  3  1  0  0  0  0
 28  8  1  0  0  0  0
 29 16  1  0  0  0  0
 30 20  1  0  0  0  0
 31 29  2  0  0  0  0
 32 30  2  0  0  0  0
  2  6  1  0  0  0  0
 20 16  2  0  0  0  0
 31 32  1  0  0  0  0
  4  7  2  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (2,013)
2013

>  <Formula> (2,013)
C23H21N3O5S

>  <MolWeight> (2,013)
451.49494

>  <COMPOUND_NAME> (2,013)
WAY-624770

>  <BAR_CODE_NO> (2,013)
90458948

$$$$
WAY-332253
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   12.9500   -4.4250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.1500   -4.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7625   -4.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.8500   -5.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9500   -5.3750    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.3125   -6.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1375   -5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9000   -3.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9625   -5.8625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -5.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8500   -3.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1250   -6.3875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.9875   -3.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3250   -5.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5250   -5.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8875   -7.4375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7250   -6.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2000   -3.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3500   -7.4375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.3875   -4.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0125   -3.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7250   -4.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5375   -6.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5375   -4.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9375   -5.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  7  1  0  0  0  0
  6  5  1  0  0  0  0
  7  3  1  0  0  0  0
  8  1  2  0  0  0  0
  9  1  2  0  0  0  0
 10  4  2  0  0  0  0
 11  2  2  0  0  0  0
 12  6  1  0  0  0  0
 13 11  1  0  0  0  0
 14 15  1  0  0  0  0
 15 12  1  0  0  0  0
 16  6  2  0  0  0  0
 17 14  2  0  0  0  0
 18  3  1  0  0  0  0
 19 17  1  0  0  0  0
 20 21  1  0  0  0  0
 21 18  1  0  0  0  0
 22 14  1  0  0  0  0
 23 17  1  0  0  0  0
 24 22  2  0  0  0  0
 25 24  1  0  0  0  0
 13 10  1  0  0  0  0
 20  5  1  0  0  0  0
 25 23  2  0  0  0  0
M  END
>  <Mol_ID> (2,014)
2014

>  <Formula> (2,014)
C16H19ClN4O3S

>  <MolWeight> (2,014)
382.86506

>  <COMPOUND_NAME> (2,014)
WAY-332253

>  <BAR_CODE_NO> (2,014)
307254

$$$$
WAY-332276
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
   12.9500   -4.4250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.1500   -4.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7625   -4.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.8500   -5.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9500   -5.3750    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.3125   -6.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1375   -5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9000   -3.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9625   -5.8625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -5.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8500   -3.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9875   -3.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1250   -6.3875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8875   -7.4375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5125   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2000   -3.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7125   -4.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3250   -5.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5125   -4.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3875   -4.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9125   -3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0125   -3.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5125   -6.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7250   -6.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9125   -5.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7250   -3.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  7  1  0  0  0  0
  6  5  1  0  0  0  0
  7  3  1  0  0  0  0
  8  1  2  0  0  0  0
  9  1  2  0  0  0  0
 10  4  2  0  0  0  0
 11  2  2  0  0  0  0
 12 11  1  0  0  0  0
 13  6  1  0  0  0  0
 14  6  2  0  0  0  0
 15 13  1  0  0  0  0
 16  3  1  0  0  0  0
 17 18  2  0  0  0  0
 18 15  1  0  0  0  0
 19 17  1  0  0  0  0
 20 22  1  0  0  0  0
 21 19  1  0  0  0  0
 22 16  1  0  0  0  0
 23 24  2  0  0  0  0
 24 18  1  0  0  0  0
 25 23  1  0  0  0  0
 26 21  1  0  0  0  0
 12 10  1  0  0  0  0
 20  5  1  0  0  0  0
 19 25  2  0  0  0  0
M  END
>  <Mol_ID> (2,015)
2015

>  <Formula> (2,015)
C17H22N4O4S

>  <MolWeight> (2,015)
378.44598

>  <COMPOUND_NAME> (2,015)
WAY-332276

>  <BAR_CODE_NO> (2,015)
307277

$$$$
WAY-332252
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   12.9500   -4.4250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.1500   -4.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7625   -4.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.8500   -5.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3125   -6.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9500   -5.3750    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.1375   -5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1250   -6.3875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9625   -5.8625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9000   -3.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -5.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8500   -3.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9875   -3.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8875   -7.4375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5250   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2000   -3.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3500   -9.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7500  -10.4875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.3875   -4.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3500   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1125   -8.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5375   -9.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7625   -8.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0125   -3.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  3  1  0  0  0  0
  8  5  1  0  0  0  0
  9  1  2  0  0  0  0
 10  1  2  0  0  0  0
 11  4  2  0  0  0  0
 12  2  2  0  0  0  0
 13 12  1  0  0  0  0
 14  5  2  0  0  0  0
 15  8  1  0  0  0  0
 16  3  1  0  0  0  0
 17 22  1  0  0  0  0
 18 17  1  0  0  0  0
 19 24  1  0  0  0  0
 20 15  2  0  0  0  0
 21 15  1  0  0  0  0
 22 21  2  0  0  0  0
 23 20  1  0  0  0  0
 24 16  1  0  0  0  0
 13 11  1  0  0  0  0
 19  6  1  0  0  0  0
 23 17  2  0  0  0  0
M  END
>  <Mol_ID> (2,016)
2016

>  <Formula> (2,016)
C15H17ClN4O3S

>  <MolWeight> (2,016)
368.83848

>  <COMPOUND_NAME> (2,016)
WAY-332252

>  <BAR_CODE_NO> (2,016)
307253

$$$$
WAY-332274
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   12.9500   -4.4250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.1500   -4.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7625   -4.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.8500   -5.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3125   -6.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9500   -5.3750    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.1375   -5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1250   -6.3875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9625   -5.8625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9000   -3.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -5.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8500   -3.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9875   -3.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5250   -5.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8875   -7.4375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3250   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2000   -3.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7125   -4.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5125   -4.3125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.3875   -4.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0125   -3.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5125   -3.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1125   -4.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3250   -3.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9250   -3.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  3  1  0  0  0  0
  8  5  1  0  0  0  0
  9  1  2  0  0  0  0
 10  1  2  0  0  0  0
 11  4  2  0  0  0  0
 12  2  2  0  0  0  0
 13 12  1  0  0  0  0
 14  8  1  0  0  0  0
 15  5  2  0  0  0  0
 16 14  2  0  0  0  0
 17  3  1  0  0  0  0
 18 16  1  0  0  0  0
 19 18  1  0  0  0  0
 20 21  1  0  0  0  0
 21 17  1  0  0  0  0
 22 23  2  0  0  0  0
 23 14  1  0  0  0  0
 24 22  1  0  0  0  0
 25 19  1  0  0  0  0
 13 11  1  0  0  0  0
 20  6  1  0  0  0  0
 18 24  2  0  0  0  0
M  END
>  <Mol_ID> (2,017)
2017

>  <Formula> (2,017)
C16H20N4O3S2

>  <MolWeight> (2,017)
380.485

>  <COMPOUND_NAME> (2,017)
WAY-332274

>  <BAR_CODE_NO> (2,017)
307275

$$$$
WAY-332267
csChFnd80/06171916322D

 28 30  0  0  0  0  0  0  0  0999 V2000
   12.9500   -4.4250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.1500   -4.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7625   -4.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.8500   -5.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3125   -6.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9500   -5.3750    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.1375   -5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1250   -6.3875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7000   -2.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9000   -3.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9625   -5.8625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -5.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8500   -3.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9875   -3.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3125   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8875   -7.4375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000   -1.2625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5125   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4875   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7250   -4.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2000   -3.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5250   -2.2875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3125   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0875   -4.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3875   -4.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0125   -3.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9000   -3.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7000   -3.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  3  1  0  0  0  0
  8  5  1  0  0  0  0
  9 15  1  0  0  0  0
 10  1  2  0  0  0  0
 11  1  2  0  0  0  0
 12  4  2  0  0  0  0
 13  2  2  0  0  0  0
 14 13  1  0  0  0  0
 15 19  2  0  0  0  0
 16  5  2  0  0  0  0
 17  9  2  0  0  0  0
 18  8  1  0  0  0  0
 19 24  1  0  0  0  0
 20 23  2  0  0  0  0
 21  3  1  0  0  0  0
 22  9  1  0  0  0  0
 23 18  1  0  0  0  0
 24 18  2  0  0  0  0
 25 26  1  0  0  0  0
 26 21  1  0  0  0  0
 27 22  1  0  0  0  0
 28 27  1  0  0  0  0
 14 12  1  0  0  0  0
 25  6  1  0  0  0  0
 15 20  1  0  0  0  0
M  END
>  <Mol_ID> (2,018)
2018

>  <Formula> (2,018)
C18H22N4O5S

>  <MolWeight> (2,018)
406.45608

>  <COMPOUND_NAME> (2,018)
WAY-332267

>  <BAR_CODE_NO> (2,018)
307268

$$$$
WAY-332247
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   12.9500   -4.4250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.1500   -4.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7625   -4.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.8500   -5.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3125   -6.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9500   -5.3750    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.1375   -5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1250   -6.3875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9625   -5.8625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9000   -3.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -5.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8500   -3.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9875   -3.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7375   -4.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5250   -5.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3500   -3.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8875   -7.4375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3375   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5375   -3.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2000   -3.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1375   -4.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7500   -2.2625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    9.3875   -4.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0125   -3.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5500   -4.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  3  1  0  0  0  0
  8  5  1  0  0  0  0
  9  1  2  0  0  0  0
 10  1  2  0  0  0  0
 11  4  2  0  0  0  0
 12  2  2  0  0  0  0
 13 12  1  0  0  0  0
 14 18  2  0  0  0  0
 15  8  1  0  0  0  0
 16 19  2  0  0  0  0
 17  5  2  0  0  0  0
 18 15  1  0  0  0  0
 19 21  1  0  0  0  0
 20  3  1  0  0  0  0
 21 15  2  0  0  0  0
 22 16  1  0  0  0  0
 23 24  1  0  0  0  0
 24 20  1  0  0  0  0
 25 14  1  0  0  0  0
 13 11  1  0  0  0  0
 23  6  1  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <Mol_ID> (2,019)
2019

>  <Formula> (2,019)
C16H19BrN4O3S

>  <MolWeight> (2,019)
427.31606

>  <COMPOUND_NAME> (2,019)
WAY-332247

>  <BAR_CODE_NO> (2,019)
307248

$$$$
WAY-623976
csChFnd80/06171916322D

 32 36  0  0  0  0  0  0  0  0999 V2000
    1.0042   -0.8917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542   -1.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708   -1.6792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3417   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333   -0.8917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2333    1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5208    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9458    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3417    0.4125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2333    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7917   -0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -2.3500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8083    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0875    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5208    2.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792   -3.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167   -3.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6625    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0875    2.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -3.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9458    2.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8083    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3417    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4042   -1.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1875   -0.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2292   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8417   -2.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8042   -1.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6292   -2.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  8  1  0  0  0  0
  7  2  1  0  0  0  0
  8 14  1  0  0  0  0
  9  6  1  0  0  0  0
 10  4  1  0  0  0  0
 11 16  1  0  0  0  0
 12  1  1  0  0  0  0
 13  7  1  0  0  0  0
 14 15  2  0  0  0  0
 15 17  1  0  0  0  0
 16 25  1  0  0  0  0
 17 19  1  0  0  0  0
 18  7  2  0  0  0  0
 19 10  1  0  0  0  0
 20 13  1  0  0  0  0
 21  9  2  0  0  0  0
 22 15  1  0  0  0  0
 23 18  1  0  0  0  0
 24 11  1  0  0  0  0
 25 22  2  0  0  0  0
 26 17  2  0  0  0  0
 27 12  1  0  0  0  0
 28 27  2  0  0  0  0
 29 27  1  0  0  0  0
 30 29  2  0  0  0  0
 31 28  1  0  0  0  0
 32 30  1  0  0  0  0
  3  5  1  0  0  0  0
 20 23  2  0  0  0  0
 32 31  2  0  0  0  0
 16  8  2  0  0  0  0
  9 24  1  0  0  0  0
M  END
>  <Mol_ID> (2,020)
2020

>  <Formula> (2,020)
C23H18N4O3S2

>  <MolWeight> (2,020)
462.54402

>  <COMPOUND_NAME> (2,020)
WAY-623976

>  <BAR_CODE_NO> (2,020)
90458149

$$$$
WAY-333805
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
  -11.8542    6.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8542    7.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5167    5.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3417    5.5667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5167    8.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1667    7.5875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -14.2292    6.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1667    6.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3417    8.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8042    8.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.9042    4.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4542    7.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4583    8.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5167    9.9125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1333    9.8542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1250    8.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083    7.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5958   10.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417    8.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4667    6.0292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -15.4250    3.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9250    2.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7750    7.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.0667    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0000    2.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.5000    1.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.6667   -0.2000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  8  1  0  0  0  0
  7  4  1  0  0  0  0
  8  3  2  0  0  0  0
  9  2  1  0  0  0  0
 10  6  1  0  0  0  0
 11  4  1  0  0  0  0
 12 10  1  0  0  0  0
 13 23  1  0  0  0  0
 14  5  2  0  0  0  0
 15 13  1  0  0  0  0
 16 12  1  0  0  0  0
 17 13  2  0  0  0  0
 18 15  1  0  0  0  0
 19 17  1  0  0  0  0
 20 12  2  0  0  0  0
 21 11  1  0  0  0  0
 22 11  2  0  0  0  0
 23 16  1  0  0  0  0
 24 26  2  0  0  0  0
 25 21  2  0  0  0  0
 26 22  1  0  0  0  0
 27 24  1  0  0  0  0
  7  9  2  0  0  0  0
  5  6  1  0  0  0  0
 24 25  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (2,021)
2021

>  <Formula> (2,021)
C18H14FN5O3

>  <MolWeight> (2,021)
367.3338632

>  <COMPOUND_NAME> (2,021)
WAY-333805

>  <BAR_CODE_NO> (2,021)
308806

$$$$
WAY-333933
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -3.1333    2.9083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3375    1.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3458    2.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6125    2.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6333    1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1208    1.5708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6333    3.0708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208    1.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208    2.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3875    3.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6250    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4375    2.2333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8458    4.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9125    0.1833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083    3.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3458    0.1833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1000    5.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1958    3.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4583    4.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9000    5.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083    3.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042    2.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5500    5.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  3  1  0  0  0  0
  8  9  1  0  0  0  0
  9  7  2  0  0  0  0
 10  1  1  0  0  0  0
 11  5  1  0  0  0  0
 12  4  2  0  0  0  0
 13 10  2  0  0  0  0
 14 11  2  0  0  0  0
 15  9  1  0  0  0  0
 16 11  1  0  0  0  0
 17 13  1  0  0  0  0
 18 10  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 15  1  0  0  0  0
 22 15  1  0  0  0  0
 23 17  1  0  0  0  0
  2  6  1  0  0  0  0
 20 17  2  0  0  0  0
  8  5  2  0  0  0  0
M  END
>  <Mol_ID> (2,022)
2022

>  <Formula> (2,022)
C16H17N5O2

>  <MolWeight> (2,022)
311.33848

>  <COMPOUND_NAME> (2,022)
WAY-333933

>  <BAR_CODE_NO> (2,022)
308934

$$$$
WAY-333943
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -2.3375    1.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3458    2.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1333    2.9083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6125    2.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6333    1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1208    1.5708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6333    3.0708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208    1.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208    2.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6250    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3875    3.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4375    2.2333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083    3.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9125    0.1833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    3.8958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1958    3.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8458    4.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3458    0.1833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4583    4.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1000    5.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9000    5.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    3.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000    4.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083    3.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000    2.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1583    6.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  6  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  5  2  0  0  0  0
  9  8  1  0  0  0  0
 10  5  1  0  0  0  0
 11  3  1  0  0  0  0
 12  4  2  0  0  0  0
 13  9  1  0  0  0  0
 14 10  2  0  0  0  0
 15 22  1  0  0  0  0
 16 11  1  0  0  0  0
 17 11  2  0  0  0  0
 18 10  1  0  0  0  0
 19 16  2  0  0  0  0
 20 17  1  0  0  0  0
 21 20  2  0  0  0  0
 22 25  2  0  0  0  0
 23 24  1  0  0  0  0
 24 13  2  0  0  0  0
 25 13  1  0  0  0  0
 26 21  1  0  0  0  0
  4  3  1  0  0  0  0
  9  7  2  0  0  0  0
 15 23  2  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <Mol_ID> (2,023)
2023

>  <Formula> (2,023)
C18H14N6O2

>  <MolWeight> (2,023)
346.34276

>  <COMPOUND_NAME> (2,023)
WAY-333943

>  <BAR_CODE_NO> (2,023)
308944

$$$$
WAY-278447
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -1.4012    0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3288   -0.5889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1116    0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6702    0.5525    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5254   -0.7613    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9392   -1.1268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8323    0.2491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2219    1.4353    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1081   -0.0509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7461   -1.9199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7323   -0.9061    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4150    0.8146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0426    1.5732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7332   -0.0509    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9909   -2.0820    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5012   -2.7027    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3668   -2.5475    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.1332    0.6594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9712    0.6594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7332    1.3697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3643    1.3697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3643   -0.0509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2022    1.3697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2022   -0.0509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6022    0.6594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4126    0.6594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2160    0.6594    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  6 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
 10 17  1  0  0  0  0
 14 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 19 22  2  0  0  0  0
 21 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  3  0  0  0  0
  5  9  1  0  0  0  0
 12 13  2  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (2,024)
2024

>  <Formula> (2,024)
C17H8F3N3O2S2

>  <MolWeight> (2,024)
407.3895296

>  <COMPOUND_NAME> (2,024)
WAY-278447

>  <BAR_CODE_NO> (2,024)
389102

$$$$
WAY-333794
csChFnd80/06171916322D

 32 36  0  0  0  0  0  0  0  0999 V2000
  -11.8542    6.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8542    7.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5167    5.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3417    5.5667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1667    7.5875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5167    8.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.2292    6.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1667    6.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3417    8.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4542    7.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1250    8.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4583    9.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8042    8.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.9042    4.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5167    9.9125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1583    9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8083    7.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4583    8.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8083   10.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4667    6.0292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208   10.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9250    2.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.4250    3.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.0167    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0000    2.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4792    1.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.5792   -0.2000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000    9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1500   12.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000   13.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5500   10.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5500   12.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  8  1  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8  3  2  0  0  0  0
  9  2  1  0  0  0  0
 10 13  1  0  0  0  0
 11 10  1  0  0  0  0
 12 18  1  0  0  0  0
 13  5  1  0  0  0  0
 14  4  1  0  0  0  0
 15  6  2  0  0  0  0
 16 11  1  0  0  0  0
 17 11  1  0  0  0  0
 18 17  1  0  0  0  0
 19 16  1  0  0  0  0
 20 10  2  0  0  0  0
 21 12  1  0  0  0  0
 22 14  2  0  0  0  0
 23 14  1  0  0  0  0
 24 25  1  0  0  0  0
 25 23  2  0  0  0  0
 26 22  1  0  0  0  0
 27 24  1  0  0  0  0
 28 21  2  0  0  0  0
 29 21  1  0  0  0  0
 30 29  2  0  0  0  0
 31 28  1  0  0  0  0
 32 30  1  0  0  0  0
  7  9  2  0  0  0  0
  6  5  1  0  0  0  0
 24 26  2  0  0  0  0
 12 19  1  0  0  0  0
 32 31  2  0  0  0  0
M  END
>  <Mol_ID> (2,025)
2025

>  <Formula> (2,025)
C23H21FN6O2

>  <MolWeight> (2,025)
432.4502432

>  <COMPOUND_NAME> (2,025)
WAY-333794

>  <BAR_CODE_NO> (2,025)
308795

$$$$
WAY-624683
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
   -0.1000   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7708   -1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5125   -2.2625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292    2.3083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667   -1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3125   -2.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292    3.9583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1000   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6125    2.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292    1.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0417    3.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6125    3.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0417    2.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000   -2.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6125    0.2458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6125    1.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7542    3.9583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8208    0.2458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0417    1.0708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8208   -2.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6625   -3.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5583   -1.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9708   -4.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917   -2.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1500   -4.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3083   -3.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4583   -4.9292    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1000    2.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1000    3.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8208    2.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8208    3.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4 10  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  2  0  0  0  0
  7 11  1  0  0  0  0
  8  1  1  0  0  0  0
  9  4  1  0  0  0  0
 10 16  1  0  0  0  0
 11 13  1  0  0  0  0
 12  9  2  0  0  0  0
 13  4  1  0  0  0  0
 14  3  1  0  0  0  0
 15  8  1  0  0  0  0
 16 15  1  0  0  0  0
 17 11  2  0  0  0  0
 18  8  2  0  0  0  0
 19 10  2  0  0  0  0
 20 14  1  0  0  0  0
 21 14  2  0  0  0  0
 22  2  1  0  0  0  0
 23 25  2  0  0  0  0
 24  6  1  0  0  0  0
 25 21  1  0  0  0  0
 26 20  2  0  0  0  0
 27 23  1  0  0  0  0
 28  9  1  0  0  0  0
 29 12  1  0  0  0  0
 30 28  2  0  0  0  0
 31 30  1  0  0  0  0
  3  6  1  0  0  0  0
 23 26  1  0  0  0  0
  7 12  1  0  0  0  0
 31 29  2  0  0  0  0
M  END
>  <Mol_ID> (2,026)
2026

>  <Formula> (2,026)
C23H20FN3O4

>  <MolWeight> (2,026)
421.4210032

>  <COMPOUND_NAME> (2,026)
WAY-624683

>  <BAR_CODE_NO> (2,026)
90458859

$$$$
WAY-278588
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -1.6895    1.0557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5860    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0412    0.3867    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2722    1.8730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2964    1.4556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9447    0.0108    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2033    0.8315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3722    1.7454    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0929    0.9522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8619    0.0763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6485    0.4901    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8105   -0.4202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7105   -0.7547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0898   -1.0271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4209   -0.1719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8553   -1.6754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3002   -0.5064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7347   -2.0099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4450   -1.4237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3450   -1.7547    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  2  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (2,027)
2027

>  <Formula> (2,027)
C14H9BrN2OS2

>  <MolWeight> (2,027)
365.26806

>  <COMPOUND_NAME> (2,027)
WAY-278588

>  <BAR_CODE_NO> (2,027)
389243

$$$$
WAY-642919
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
    0.1375    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1375    2.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833    1.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167    3.0833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167    1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4042    2.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833   -0.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2958   -0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833    0.7625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833    3.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2958    2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2958    0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833   -1.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9917   -3.7750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2958    2.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2792   -3.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1375   -0.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1375   -2.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5667   -2.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1750    0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2292    2.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0083   -0.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8500   -1.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1375   -2.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8500   -3.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5667   -2.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0083    0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7208   -0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7208    0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  2  0  0  0  0
  7  8  1  0  0  0  0
  8 12  2  0  0  0  0
  9  3  1  0  0  0  0
 10  2  1  0  0  0  0
 11  3  2  0  0  0  0
 12  9  1  0  0  0  0
 13  7  1  0  0  0  0
 14 16  3  0  0  0  0
 15 11  1  0  0  0  0
 16 19  1  0  0  0  0
 17  7  2  0  0  0  0
 18 13  1  0  0  0  0
 19 25  1  0  0  0  0
 20  5  1  0  0  0  0
 21  6  1  0  0  0  0
 22  8  1  0  0  0  0
 23 18  2  0  0  0  0
 24 18  1  0  0  0  0
 25 24  2  0  0  0  0
 26 23  1  0  0  0  0
 27 12  1  0  0  0  0
 28 29  1  0  0  0  0
 29 27  2  0  0  0  0
  4  6  1  0  0  0  0
 15 10  2  0  0  0  0
 28 22  2  0  0  0  0
 19 26  2  0  0  0  0
M  END
>  <Mol_ID> (2,028)
2028

>  <Formula> (2,028)
C22H16N4OS2

>  <MolWeight> (2,028)
416.51864

>  <COMPOUND_NAME> (2,028)
WAY-642919

>  <BAR_CODE_NO> (2,028)
90477485

$$$$
WAY-624747
csChFnd80/06171916322D

 23 26  0  0  0  0  0  0  0  0999 V2000
    0.3375   -1.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8083    1.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8083    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750   -0.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958    2.8708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750    1.6333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0542   -0.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5875    2.7125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667   -1.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0750    2.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5875    1.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958    0.3958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3375   -2.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667   -2.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958   -1.2542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0542   -2.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4792   -0.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4792   -2.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1917   -1.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1917   -2.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  2  0  0  0  0
  3  2  1  0  0  0  0
  4 14  1  0  0  0  0
  5  1  1  0  0  0  0
  6 11  1  0  0  0  0
  7  4  1  0  0  0  0
  8  1  1  0  0  0  0
  9  3  1  0  0  0  0
 10  8  1  0  0  0  0
 11  7  2  0  0  0  0
 12 13  2  0  0  0  0
 13  2  1  0  0  0  0
 14 16  1  0  0  0  0
 15  1  1  0  0  0  0
 16  5  1  0  0  0  0
 17 19  1  0  0  0  0
 18  5  2  0  0  0  0
 19 15  1  0  0  0  0
 20 10  1  0  0  0  0
 21 17  1  0  0  0  0
 22 20  2  0  0  0  0
 23 21  2  0  0  0  0
 17 10  2  0  0  0  0
 22 23  1  0  0  0  0
  6  3  2  0  0  0  0
 12  9  1  0  0  0  0
M  END
>  <Mol_ID> (2,029)
2029

>  <Formula> (2,029)
C17H15N3O2S

>  <MolWeight> (2,029)
325.3849

>  <COMPOUND_NAME> (2,029)
WAY-624747

>  <BAR_CODE_NO> (2,029)
90458924

$$$$
WAY-643557
csChFnd80/06171916322D

 28 32  0  0  0  0  0  0  0  0999 V2000
    0.1417    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5708    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8625    0.4833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5708    1.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1417    1.7208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8625    1.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3500    0.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3500    1.5625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1417   -0.7542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5750    1.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8625   -1.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5708   -1.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6083   -0.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5750    2.5458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1417   -2.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8625   -1.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5708   -1.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1417   -3.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2917    2.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2917    1.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0583   -1.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4125   -0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0042    2.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6708   -1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3083   -1.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0042    1.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1208   -2.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  6  1  0  0  0  0
  6  3  2  0  0  0  0
  7  2  1  0  0  0  0
  8  4  1  0  0  0  0
  9  1  1  0  0  0  0
 10  7  2  0  0  0  0
 11  6  1  0  0  0  0
 12  9  1  0  0  0  0
 13  9  1  0  0  0  0
 14  7  1  0  0  0  0
 15 11  2  0  0  0  0
 16 18  1  0  0  0  0
 17 12  1  0  0  0  0
 18 13  1  0  0  0  0
 19 16  2  0  0  0  0
 20 15  1  0  0  0  0
 21 11  1  0  0  0  0
 22 14  2  0  0  0  0
 23 14  1  0  0  0  0
 24 27  1  0  0  0  0
 25 23  2  0  0  0  0
 26 22  1  0  0  0  0
 27 21  2  0  0  0  0
 28 25  1  0  0  0  0
 17 16  1  0  0  0  0
  5  4  2  0  0  0  0
 10  8  1  0  0  0  0
 24 20  2  0  0  0  0
 28 26  2  0  0  0  0
M  END
>  <Mol_ID> (2,030)
2030

>  <Formula> (2,030)
C22H18N4OS

>  <MolWeight> (2,030)
386.46952

>  <COMPOUND_NAME> (2,030)
WAY-643557

>  <BAR_CODE_NO> (2,030)
90478129

$$$$
WAY-642289
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -0.4083    0.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4083    1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3125    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1875    1.9958    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1875    0.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6708    1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3125   -0.3250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3125    2.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0250    0.9125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0250   -1.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0250    1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0250   -0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6917   -2.0417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542   -2.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4375   -2.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6125   -2.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4458   -0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4958    1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4083   -0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  2  0  0  0  0
  7  3  1  0  0  0  0
  8  2  2  0  0  0  0
  9  3  1  0  0  0  0
 10 12  1  0  0  0  0
 11  9  2  0  0  0  0
 12  7  1  0  0  0  0
 13 10  1  0  0  0  0
 14 10  2  0  0  0  0
 15 13  1  0  0  0  0
 16 14  1  0  0  0  0
 17  5  1  0  0  0  0
 18  6  1  0  0  0  0
 19  7  1  0  0  0  0
  6  4  1  0  0  0  0
 11  8  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <Mol_ID> (2,031)
2031

>  <Formula> (2,031)
C14H15N3OS

>  <MolWeight> (2,031)
273.3534

>  <COMPOUND_NAME> (2,031)
WAY-642289

>  <BAR_CODE_NO> (2,031)
90476848

$$$$
WAY-616131
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
    2.6292    1.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8042   -0.9458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3208   -1.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8042   -2.2792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4542    1.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8667    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2167    0.5333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2167    1.9583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5917   -1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5917   -2.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3917    0.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4542    2.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2583   -0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6292    2.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792    1.2458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542   -1.6125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542   -0.1833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8667    0.5333    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.4958   -1.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792   -0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833   -0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8667    3.3875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.6917    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3042   -0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3042   -2.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0208   -2.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0208   -1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3 19  1  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  2  0  0  0  0
  7  1  1  0  0  0  0
  8  1  2  0  0  0  0
  9  2  1  0  0  0  0
 10  4  1  0  0  0  0
 11  7  1  0  0  0  0
 12 14  2  0  0  0  0
 13 17  1  0  0  0  0
 14  8  1  0  0  0  0
 15 11  2  0  0  0  0
 16 13  2  0  0  0  0
 17 20  1  0  0  0  0
 18  5  1  0  0  0  0
 19 21  1  0  0  0  0
 20 11  1  0  0  0  0
 21 13  1  0  0  0  0
 22 12  1  0  0  0  0
 23  6  1  0  0  0  0
 24  9  1  0  0  0  0
 25 10  1  0  0  0  0
 26 25  2  0  0  0  0
 27 24  2  0  0  0  0
  6 12  1  0  0  0  0
  9 10  2  0  0  0  0
 27 26  1  0  0  0  0
M  END
>  <Mol_ID> (2,032)
2032

>  <Formula> (2,032)
C18H15Cl2N3O3S

>  <MolWeight> (2,032)
424.301

>  <COMPOUND_NAME> (2,032)
WAY-616131

>  <BAR_CODE_NO> (2,032)
90450111

$$$$
WAY-643452
csChFnd80/06171916322D

 23 26  0  0  0  0  0  0  0  0999 V2000
   -0.0833    0.3083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000   -0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000    0.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1792    0.7208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1792   -0.1042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1417   -1.1500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1417    1.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6458    2.0083    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6917   -1.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083    0.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5042   -1.5917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6458    2.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917   -3.1542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1417    3.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417   -2.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0542   -2.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8000   -2.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1458   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1458    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5583    0.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  2  2  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  7  1  0  0  0  0
  9  6  1  0  0  0  0
 10  1  1  0  0  0  0
 11  9  2  0  0  0  0
 12  7  2  0  0  0  0
 13  8  1  0  0  0  0
 14 16  2  0  0  0  0
 15 12  1  0  0  0  0
 16  9  1  0  0  0  0
 17 11  1  0  0  0  0
 18 14  1  0  0  0  0
 19 10  1  0  0  0  0
 20 10  2  0  0  0  0
 21 20  1  0  0  0  0
 22 19  2  0  0  0  0
 23 21  2  0  0  0  0
  4  5  1  0  0  0  0
 23 22  1  0  0  0  0
 13 15  2  0  0  0  0
 18 17  2  0  0  0  0
M  END
>  <Mol_ID> (2,033)
2033

>  <Formula> (2,033)
C16H11N5S2

>  <MolWeight> (2,033)
337.42204

>  <COMPOUND_NAME> (2,033)
WAY-643452

>  <BAR_CODE_NO> (2,033)
90478024

$$$$
WAY-643331
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -0.2250   -2.0167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833   -2.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292   -1.2292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5375    0.3333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917    1.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083   -1.7625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542   -2.2750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208   -0.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8375   -1.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833    4.5792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000    3.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2875   -2.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0917   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708    0.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000    5.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    1.2958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792    4.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792    4.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458   -2.3625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.0667   -3.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583    3.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917    2.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458   -3.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833   -4.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958   -4.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4 13  1  0  0  0  0
  5  4  1  0  0  0  0
  6  1  2  0  0  0  0
  7  1  2  0  0  0  0
  8  3  1  0  0  0  0
  9  3  1  0  0  0  0
 10 11  1  0  0  0  0
 11 22  1  0  0  0  0
 12  2  2  0  0  0  0
 13  9  1  0  0  0  0
 14  8  1  0  0  0  0
 15 10  1  0  0  0  0
 16  5  2  0  0  0  0
 17 11  2  0  0  0  0
 18 17  1  0  0  0  0
 19 12  1  0  0  0  0
 20  2  1  0  0  0  0
 21  5  1  0  0  0  0
 22 23  1  0  0  0  0
 23 21  1  0  0  0  0
 24 12  1  0  0  0  0
 25 20  2  0  0  0  0
 26 25  1  0  0  0  0
  4 14  1  0  0  0  0
 26 24  2  0  0  0  0
 15 18  2  0  0  0  0
M  END
>  <Mol_ID> (2,034)
2034

>  <Formula> (2,034)
C18H21BrN2O3S2

>  <MolWeight> (2,034)
457.40494

>  <COMPOUND_NAME> (2,034)
WAY-643331

>  <BAR_CODE_NO> (2,034)
90477902

$$$$
WAY-330384
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
    7.7750   -9.9625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.7750   -8.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7750  -11.3125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9375   -7.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7750  -15.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4375   -9.9625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1250   -9.9625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6250  -15.9875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1000   -8.6250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7750  -13.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6250  -11.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9375  -11.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9375  -15.9875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6250  -13.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9375  -13.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9375   -6.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6250   -7.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4625  -15.3250    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.6250   -6.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2625   -7.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7750   -5.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1000   -5.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3000  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4500  -14.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2625   -6.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1375  -15.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5 10  1  0  0  0  0
  6  1  2  0  0  0  0
  7  1  2  0  0  0  0
  8  5  1  0  0  0  0
  9  4  1  0  0  0  0
 10 15  1  0  0  0  0
 11  3  1  0  0  0  0
 12  3  1  0  0  0  0
 13  5  2  0  0  0  0
 14 11  1  0  0  0  0
 15 12  1  0  0  0  0
 16  4  1  0  0  0  0
 17  2  1  0  0  0  0
 18  8  1  0  0  0  0
 19 17  2  0  0  0  0
 20  9  2  0  0  0  0
 21 19  1  0  0  0  0
 22 16  1  0  0  0  0
 23 18  1  0  0  0  0
 24 18  1  0  0  0  0
 25 22  2  0  0  0  0
 26 23  1  0  0  0  0
 10 14  1  0  0  0  0
 21 16  2  0  0  0  0
 25 20  1  0  0  0  0
M  END
>  <Mol_ID> (2,035)
2035

>  <Formula> (2,035)
C19H25N3O3S

>  <MolWeight> (2,035)
375.4851

>  <COMPOUND_NAME> (2,035)
WAY-330384

>  <BAR_CODE_NO> (2,035)
305385

$$$$
WAY-642559
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
    0.0000   -2.7917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.6167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208   -0.7292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -2.7917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -2.7917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -5.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125   -4.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208   -4.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208   -1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208    0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125    0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125    1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208    1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125   -1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125   -0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208    5.8667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125    3.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208    3.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208    4.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125    4.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208   -4.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125   -4.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -6.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125    5.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  6  1  0  0  0  0
  5 19  1  0  0  0  0
  6 22  1  0  0  0  0
  7 14  1  0  0  0  0
  8  1  2  0  0  0  0
  9  1  2  0  0  0  0
 10 28  1  0  0  0  0
 11  2  1  0  0  0  0
 12  2  1  0  0  0  0
 13  5  1  0  0  0  0
 14  3  2  0  0  0  0
 15  4  1  0  0  0  0
 16  4  1  0  0  0  0
 17 26  2  0  0  0  0
 18 17  1  0  0  0  0
 19 16  1  0  0  0  0
 20 15  1  0  0  0  0
 21  3  1  0  0  0  0
 22 21  2  0  0  0  0
 23 18  2  0  0  0  0
 24 13  1  0  0  0  0
 25 13  2  0  0  0  0
 26 25  1  0  0  0  0
 27 24  2  0  0  0  0
 28 12  1  0  0  0  0
 29 11  1  0  0  0  0
 30 10  1  0  0  0  0
 31 18  1  0  0  0  0
  6  7  2  0  0  0  0
 29 10  1  0  0  0  0
  5 20  1  0  0  0  0
 17 27  1  0  0  0  0
M  END
>  <Mol_ID> (2,036)
2036

>  <Formula> (2,036)
C22H29N5O3S

>  <MolWeight> (2,036)
443.56236

>  <COMPOUND_NAME> (2,036)
WAY-642559

>  <BAR_CODE_NO> (2,036)
90477120

$$$$
WAY-332738
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
    6.9927    9.6427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3096    9.2004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9404    8.7136    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8761    6.8493    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5913    8.2248    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.4457    4.1063    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6005    7.8309    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6274    9.1580    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.2642    8.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1210    7.8431    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.7039   11.0041    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8359    5.9302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1951    6.4170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3701   10.1517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0904    4.5689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4738    5.0577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8340   10.0003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7123    2.7490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.6672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4242   10.0003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5502    6.8978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9336    7.3825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3366   10.5093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0252    2.3066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6640    1.8179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8249    5.5243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2063    6.0151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9367    0.4464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3161    0.9372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2617    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1580    5.0758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5  8  1  0  0  0  0
  6 16  1  0  0  0  0
  7  2  1  0  0  0  0
  8  3  1  0  0  0  0
  9  5  1  0  0  0  0
 10  9  1  0  0  0  0
 11  1  2  0  0  0  0
 12  4  1  0  0  0  0
 13  4  1  0  0  0  0
 14  2  2  0  0  0  0
 15 12  1  0  0  0  0
 16 13  1  0  0  0  0
 17  9  2  0  0  0  0
 18  6  1  0  0  0  0
 19 10  1  0  0  0  0
 20 17  1  0  0  0  0
 21  7  1  0  0  0  0
 22  7  1  0  0  0  0
 23  8  1  0  0  0  0
 24 18  1  0  0  0  0
 25 18  2  0  0  0  0
 26 21  1  0  0  0  0
 27 22  1  0  0  0  0
 28 25  1  0  0  0  0
 29 24  2  0  0  0  0
 30 28  2  0  0  0  0
 31 27  1  0  0  0  0
 31 26  1  0  0  0  0
 20 19  2  0  0  0  0
 15  6  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (2,037)
2037

>  <Formula> (2,037)
C24H32N4O2S

>  <MolWeight> (2,037)
440.60148

>  <COMPOUND_NAME> (2,037)
WAY-332738

>  <BAR_CODE_NO> (2,037)
307739

$$$$
WAY-332750
csChFnd80/06171916322D

 32 35  0  0  0  0  0  0  0  0999 V2000
    6.9891   11.0085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3054   10.5664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9373   10.0799    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8741    8.2165    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5894    9.5913    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.4434    5.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5961    9.1977    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6251   10.5240    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.2631   10.0214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1204    9.2098    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.7159    4.1062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7004   12.3692    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8142    7.2919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1924    7.8006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3652   11.5173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1049    5.9232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4649    6.4258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8331   11.3659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.0335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4239   11.3659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0382    3.6762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6742    3.1877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2832    1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9548    1.8169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3350    2.3075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5739    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.5463    8.2650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9285    8.7495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3343   11.8746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8208    6.8922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2010    7.3827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1533    6.4440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5  8  1  0  0  0  0
  6 17  1  0  0  0  0
  7  2  1  0  0  0  0
  8  3  1  0  0  0  0
  9  5  1  0  0  0  0
 10  9  1  0  0  0  0
 11  6  1  0  0  0  0
 12  1  2  0  0  0  0
 13  4  1  0  0  0  0
 14  4  1  0  0  0  0
 15  2  2  0  0  0  0
 16 13  1  0  0  0  0
 17 14  1  0  0  0  0
 18  9  2  0  0  0  0
 19 10  1  0  0  0  0
 20 18  1  0  0  0  0
 21 11  1  0  0  0  0
 22 11  2  0  0  0  0
 23 24  2  0  0  0  0
 24 22  1  0  0  0  0
 25 21  2  0  0  0  0
 26 23  1  0  0  0  0
 27  7  1  0  0  0  0
 28  7  1  0  0  0  0
 29  8  1  0  0  0  0
 30 27  1  0  0  0  0
 31 28  1  0  0  0  0
 32 31  1  0  0  0  0
 32 30  1  0  0  0  0
 20 19  2  0  0  0  0
 16  6  1  0  0  0  0
 25 23  1  0  0  0  0
M  END
>  <Mol_ID> (2,038)
2038

>  <Formula> (2,038)
C24H31FN4O2S

>  <MolWeight> (2,038)
458.5919432

>  <COMPOUND_NAME> (2,038)
WAY-332750

>  <BAR_CODE_NO> (2,038)
307751

$$$$
WAY-331128
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
    9.3125   -4.4750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.9000   -5.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7250   -3.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1500   -5.9875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9750   -1.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8125   -1.5875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4875   -1.5875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.3250   -1.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7375   -0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6000   -4.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0375   -4.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4875   -6.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0625   -5.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8125   -5.9875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5625   -2.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5625   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3125   -3.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2250   -0.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2250   -2.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0625   -2.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0625   -0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5625   -0.8750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5625   -0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9750   -3.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7250   -2.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7500   -2.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3000   -0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5875   -2.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -1.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9875   -0.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5 15  1  0  0  0  0
  6  5  1  0  0  0  0
  7 20  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  1  2  0  0  0  0
 11  1  2  0  0  0  0
 12  4  2  0  0  0  0
 13  2  2  0  0  0  0
 14 13  1  0  0  0  0
 15 25  1  0  0  0  0
 16  3  1  0  0  0  0
 17  3  1  0  0  0  0
 18  6  1  0  0  0  0
 19  6  1  0  0  0  0
 20 19  1  0  0  0  0
 21 18  1  0  0  0  0
 22  5  2  0  0  0  0
 23  9  2  0  0  0  0
 24 16  1  0  0  0  0
 25 17  1  0  0  0  0
 26  8  2  0  0  0  0
 27  9  1  0  0  0  0
 28 26  1  0  0  0  0
 29 28  2  0  0  0  0
 30 23  1  0  0  0  0
 24 15  1  0  0  0  0
 12 14  1  0  0  0  0
 21  7  1  0  0  0  0
 29 23  1  0  0  0  0
M  END
>  <Mol_ID> (2,039)
2039

>  <Formula> (2,039)
C21H29N5O3S

>  <MolWeight> (2,039)
431.55166

>  <COMPOUND_NAME> (2,039)
WAY-331128

>  <BAR_CODE_NO> (2,039)
306129

$$$$
WAY-332771
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
    6.9939   11.0040    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.6282   10.5191    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.5919    9.5858    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.9414   10.0888    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8767    8.2222    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4464    5.4787    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2646   10.0222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1212    9.2080    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.7191    4.1030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000   11.9979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3535   12.3595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8161    7.3030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1959    7.7939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4687    6.4303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1070    5.9232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8343   11.3555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.0464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4242   11.3656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6767    3.1818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0424    3.6808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0605   10.1110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2868    1.3596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9575    1.8060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3393    2.3050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5777    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.3373   11.8868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3838   10.5838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6 14  1  0  0  0  0
  7  3  1  0  0  0  0
  8  7  1  0  0  0  0
  9  6  1  0  0  0  0
 10  1  2  0  0  0  0
 11  1  2  0  0  0  0
 12  5  1  0  0  0  0
 13  5  1  0  0  0  0
 14 13  1  0  0  0  0
 15 12  1  0  0  0  0
 16  7  2  0  0  0  0
 17  8  1  0  0  0  0
 18 16  1  0  0  0  0
 19  9  2  0  0  0  0
 20  9  1  0  0  0  0
 21  1  1  0  0  0  0
 22 24  1  0  0  0  0
 23 19  1  0  0  0  0
 24 20  2  0  0  0  0
 25 22  1  0  0  0  0
 26  2  1  0  0  0  0
 27 21  1  0  0  0  0
 18 17  2  0  0  0  0
 15  6  1  0  0  0  0
 23 22  2  0  0  0  0
M  END
>  <Mol_ID> (2,040)
2040

>  <Formula> (2,040)
C19H26FN3O2S2

>  <MolWeight> (2,040)
411.5570432

>  <COMPOUND_NAME> (2,040)
WAY-332771

>  <BAR_CODE_NO> (2,040)
307772

$$$$
WAY-333002
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -3.1833    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1833    2.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5833    1.5250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8208    1.8625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5833    2.1958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8250    1.4458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4625    2.0708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8250    2.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4625    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0958    2.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3750    2.2708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7333    1.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8250    2.6958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7375    1.6458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4708    0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1458    1.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0458    0.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6250    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2958    0.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2083   -0.0250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2875    2.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0125    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8750    2.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7083    2.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  9  1  0  0  0  0
  8  2  1  0  0  0  0
  9  6  2  0  0  0  0
 10 11  1  0  0  0  0
 11  7  1  0  0  0  0
 12 10  1  0  0  0  0
 13  3  1  0  0  0  0
 14  8  2  0  0  0  0
 15 10  2  0  0  0  0
 16 13  1  0  0  0  0
 17 13  2  0  0  0  0
 18 20  2  0  0  0  0
 19 16  2  0  0  0  0
 20 17  1  0  0  0  0
 21 18  1  0  0  0  0
 22 12  1  0  0  0  0
 23 12  1  0  0  0  0
 24 22  1  0  0  0  0
 25 23  1  0  0  0  0
  7  8  1  0  0  0  0
  5  4  2  0  0  0  0
 18 19  1  0  0  0  0
 25 24  1  0  0  0  0
M  END
>  <Mol_ID> (2,041)
2041

>  <Formula> (2,041)
C16H15FN6O2

>  <MolWeight> (2,041)
342.3277032

>  <COMPOUND_NAME> (2,041)
WAY-333002

>  <BAR_CODE_NO> (2,041)
308003

$$$$
WAY-624460
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.1292    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3500   -0.2875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208    1.1708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1750    2.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292    1.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292   -0.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167    0.1250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167   -0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083    3.6458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083    2.8208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6625    3.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208   -1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    1.6083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1750    3.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9333   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292   -2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833   -2.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1750   -3.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333   -3.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8875   -4.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9 10  1  0  0  0  0
 10  4  1  0  0  0  0
 11  4  2  0  0  0  0
 12  6  1  0  0  0  0
 13  5  2  0  0  0  0
 14 11  1  0  0  0  0
 15 12  2  0  0  0  0
 16 12  1  0  0  0  0
 17 15  1  0  0  0  0
 18 16  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
  8  6  2  0  0  0  0
  9 14  2  0  0  0  0
 19 17  2  0  0  0  0
M  END
>  <Mol_ID> (2,042)
2042

>  <Formula> (2,042)
C14H11N3O2S

>  <MolWeight> (2,042)
285.32104

>  <COMPOUND_NAME> (2,042)
WAY-624460

>  <BAR_CODE_NO> (2,042)
90458636

$$$$
WAY-643480
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
    0.4042   -2.3000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042   -1.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042   -3.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1250   -0.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042    0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208   -2.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2292   -2.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1250   -1.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083   -1.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083   -0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083   -3.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1250   -3.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208    2.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208    3.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083    2.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083    1.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1250    1.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083    3.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    3.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1250   -4.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083   -4.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    4.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083    4.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208    5.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042   -4.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  8  1  0  0  0  0
  5 11  1  0  0  0  0
  6  1  2  0  0  0  0
  7  1  2  0  0  0  0
  8  2  2  0  0  0  0
  9  5  1  0  0  0  0
 10  2  1  0  0  0  0
 11 10  2  0  0  0  0
 12  3  1  0  0  0  0
 13  3  1  0  0  0  0
 14 16  1  0  0  0  0
 15 14  1  0  0  0  0
 16 17  1  0  0  0  0
 17  9  1  0  0  0  0
 18  9  1  0  0  0  0
 19 15  1  0  0  0  0
 20 15  2  0  0  0  0
 21 13  1  0  0  0  0
 22 12  1  0  0  0  0
 23 20  1  0  0  0  0
 24 19  2  0  0  0  0
 25 23  2  0  0  0  0
 26 21  1  0  0  0  0
 26 22  1  0  0  0  0
  5  4  2  0  0  0  0
 25 24  1  0  0  0  0
M  END
>  <Mol_ID> (2,043)
2043

>  <Formula> (2,043)
C19H25N3O3S

>  <MolWeight> (2,043)
375.4851

>  <COMPOUND_NAME> (2,043)
WAY-643480

>  <BAR_CODE_NO> (2,043)
90478052

$$$$
WAY-278714
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
    3.2069    0.1177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2517    0.1177    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6931   -0.7788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6931    1.0281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8448   -0.7236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8517    0.9108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6241   -0.7788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6241    1.0281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8621   -0.4236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4862   -1.7098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8621    0.5971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5069    1.9246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1000    0.1177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0655    0.1177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4724    1.0281    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4724   -0.7788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4897    1.0281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1000    0.1798    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0862    1.8660    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0966    0.4764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0966    1.5522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9034   -0.1547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7586   -1.1961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8897    0.2384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5897   -1.8547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7276   -0.3961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5759   -1.4409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4138   -2.0926    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
  8 13  1  0  0  0  0
  9 11  1  0  0  0  0
 20 21  2  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <Mol_ID> (2,044)
2044

>  <Formula> (2,044)
C20H14FN3O3S

>  <MolWeight> (2,044)
395.4068632

>  <COMPOUND_NAME> (2,044)
WAY-278714

>  <BAR_CODE_NO> (2,044)
389369

$$$$
WAY-330381
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
    7.7750   -9.9625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.7750   -8.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7750  -11.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9375   -7.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7750  -15.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6125  -15.9875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1125   -9.9625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4375   -9.9625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0833   -8.6250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7750  -13.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6125  -11.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9375  -11.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9625  -13.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1250  -13.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9375  -15.9875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9625  -12.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9375  -13.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6125  -13.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9375   -6.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4500  -15.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2875  -13.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1375  -15.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6125   -7.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4500  -13.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3000  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6125   -6.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2500   -7.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8125  -14.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7750   -5.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0833   -5.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2500   -6.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5 10  1  0  0  0  0
  6  5  1  0  0  0  0
  7  1  2  0  0  0  0
  8  1  2  0  0  0  0
  9  4  1  0  0  0  0
 10 17  1  0  0  0  0
 11  3  1  0  0  0  0
 12  3  1  0  0  0  0
 13 14  1  0  0  0  0
 14 22  1  0  0  0  0
 15  5  2  0  0  0  0
 16 13  2  0  0  0  0
 17 12  1  0  0  0  0
 18 11  1  0  0  0  0
 19  4  1  0  0  0  0
 20  6  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  2  0  0  0  0
 23  2  1  0  0  0  0
 24 20  2  0  0  0  0
 25 20  1  0  0  0  0
 26 23  2  0  0  0  0
 27  9  2  0  0  0  0
 28 13  1  0  0  0  0
 29 26  1  0  0  0  0
 30 19  1  0  0  0  0
 31 30  2  0  0  0  0
 10 18  1  0  0  0  0
 29 19  2  0  0  0  0
 31 27  1  0  0  0  0
 14 21  2  0  0  0  0
M  END
>  <Mol_ID> (2,045)
2045

>  <Formula> (2,045)
C23H23N3O4S

>  <MolWeight> (2,045)
437.51142

>  <COMPOUND_NAME> (2,045)
WAY-330381

>  <BAR_CODE_NO> (2,045)
305382

$$$$
WAY-330383
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
    5.6625   -7.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.6625   -6.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6625   -8.2250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5125   -5.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6625  -11.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8125  -11.6375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6375   -7.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6875   -7.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3500   -6.2750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6625  -10.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8125   -8.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5125   -8.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5125  -11.6375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8125   -9.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5125   -9.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5125   -4.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8250  -12.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8125   -5.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8125  -14.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875  -13.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6500  -13.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6500  -14.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875  -14.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8125  -15.5125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8125   -4.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2000   -5.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6625   -4.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3500   -4.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9750  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2000   -4.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5 10  1  0  0  0  0
  6  5  1  0  0  0  0
  7  1  2  0  0  0  0
  8  1  2  0  0  0  0
  9  4  1  0  0  0  0
 10 15  1  0  0  0  0
 11  3  1  0  0  0  0
 12  3  1  0  0  0  0
 13  5  2  0  0  0  0
 14 11  1  0  0  0  0
 15 12  1  0  0  0  0
 16  4  1  0  0  0  0
 17  6  1  0  0  0  0
 18  2  1  0  0  0  0
 19 22  2  0  0  0  0
 20 17  1  0  0  0  0
 21 17  2  0  0  0  0
 22 21  1  0  0  0  0
 23 20  2  0  0  0  0
 24 19  1  0  0  0  0
 25 18  2  0  0  0  0
 26  9  2  0  0  0  0
 27 25  1  0  0  0  0
 28 16  1  0  0  0  0
 29 24  1  0  0  0  0
 30 28  2  0  0  0  0
 10 14  1  0  0  0  0
 27 16  2  0  0  0  0
 30 26  1  0  0  0  0
 19 23  1  0  0  0  0
M  END
>  <Mol_ID> (2,046)
2046

>  <Formula> (2,046)
C22H23N3O4S

>  <MolWeight> (2,046)
425.50072

>  <COMPOUND_NAME> (2,046)
WAY-330383

>  <BAR_CODE_NO> (2,046)
305384

$$$$
WAY-330400
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
    6.8375   -8.7625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.8375   -7.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8375   -9.9375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8375  -13.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8500   -6.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8125  -14.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8000  -13.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6625   -8.7625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0125   -8.7625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8750   -7.5875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8375  -12.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7625  -14.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8125  -10.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8500  -10.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7375  -12.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8500  -14.0500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8500  -11.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8125  -11.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8500   -5.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6875  -13.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8125   -6.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750  -11.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6375  -12.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8125  -15.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8125   -5.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8875   -6.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8375   -5.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8750   -5.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6000  -10.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7750  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8875   -5.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4 11  1  0  0  0  0
  5  2  2  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  1  2  0  0  0  0
  9  1  2  0  0  0  0
 10  5  1  0  0  0  0
 11 17  1  0  0  0  0
 12  7  2  0  0  0  0
 13  3  1  0  0  0  0
 14  3  1  0  0  0  0
 15  7  1  0  0  0  0
 16  4  2  0  0  0  0
 17 14  1  0  0  0  0
 18 13  1  0  0  0  0
 19  5  1  0  0  0  0
 20 12  1  0  0  0  0
 21  2  1  0  0  0  0
 22 15  2  0  0  0  0
 23 22  1  0  0  0  0
 24 12  1  0  0  0  0
 25 21  2  0  0  0  0
 26 10  2  0  0  0  0
 27 25  1  0  0  0  0
 28 19  1  0  0  0  0
 29 22  1  0  0  0  0
 30 24  1  0  0  0  0
 31 28  2  0  0  0  0
 11 18  1  0  0  0  0
 27 19  2  0  0  0  0
 31 26  1  0  0  0  0
 20 23  2  0  0  0  0
M  END
>  <Mol_ID> (2,047)
2047

>  <Formula> (2,047)
C23H25N3O4S

>  <MolWeight> (2,047)
439.5273

>  <COMPOUND_NAME> (2,047)
WAY-330400

>  <BAR_CODE_NO> (2,047)
305401

$$$$
WAY-331132
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   10.4125   -5.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.9375   -5.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8750   -4.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2250   -6.6875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2625   -1.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2000   -1.7750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2125   -5.4625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6000   -4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4750   -7.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0125   -5.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7250   -6.6875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.0625   -3.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8000   -2.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6625   -2.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4125   -3.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8000   -4.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5875   -2.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8000   -0.9750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6000   -4.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2625   -3.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8750   -2.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6625   -4.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2000   -3.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -3.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0625   -5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5 13  1  0  0  0  0
  6  5  1  0  0  0  0
  7  1  2  0  0  0  0
  8  1  2  0  0  0  0
  9  4  2  0  0  0  0
 10  2  2  0  0  0  0
 11 10  1  0  0  0  0
 12 17  1  0  0  0  0
 13 20  1  0  0  0  0
 14  6  1  0  0  0  0
 15  3  1  0  0  0  0
 16  3  1  0  0  0  0
 17 14  2  0  0  0  0
 18  5  2  0  0  0  0
 19 22  1  0  0  0  0
 20 16  1  0  0  0  0
 21 15  1  0  0  0  0
 22 23  2  0  0  0  0
 23 14  1  0  0  0  0
 24 12  1  0  0  0  0
 25 19  1  0  0  0  0
 13 21  1  0  0  0  0
  9 11  1  0  0  0  0
 19 12  2  0  0  0  0
M  END
>  <Mol_ID> (2,048)
2048

>  <Formula> (2,048)
C17H22N4O3S

>  <MolWeight> (2,048)
362.44658

>  <COMPOUND_NAME> (2,048)
WAY-331132

>  <BAR_CODE_NO> (2,048)
306133

$$$$
WAY-334234
csChFnd80/06171916322D

 32 35  0  0  0  0  0  0  0  0999 V2000
   -4.5083    5.2750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8083    4.5250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9125    5.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8625    5.6500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.5625    5.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2125    5.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708    5.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4542    4.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8625    6.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5083    4.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1583    5.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8083    5.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1583    4.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9125    4.5250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6208    5.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2125    7.5250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0917    4.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4542    3.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292    5.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7500    3.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7500    4.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0917    3.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792    5.2667    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.2125    6.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4042    3.0208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708    6.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6208    6.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5083    6.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8625    7.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292    6.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4042    2.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5083    7.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 12  1  0  0  0  0
  3  5  1  0  0  0  0
  4  1  1  0  0  0  0
  5  6  1  0  0  0  0
  6  4  1  0  0  0  0
  7  3  1  0  0  0  0
  8  2  1  0  0  0  0
  9  4  1  0  0  0  0
 10  1  1  0  0  0  0
 11  1  1  0  0  0  0
 12 11  1  0  0  0  0
 13 10  1  0  0  0  0
 14  3  2  0  0  0  0
 15  7  2  0  0  0  0
 16 24  2  0  0  0  0
 17  8  2  0  0  0  0
 18  8  1  0  0  0  0
 19 15  1  0  0  0  0
 20 22  1  0  0  0  0
 21 17  1  0  0  0  0
 22 18  2  0  0  0  0
 23 19  1  0  0  0  0
 24  9  1  0  0  0  0
 25 20  1  0  0  0  0
 26  7  1  0  0  0  0
 27 26  2  0  0  0  0
 28  9  2  0  0  0  0
 29 32  2  0  0  0  0
 30 27  1  0  0  0  0
 31 25  1  0  0  0  0
 32 28  1  0  0  0  0
  2 13  1  0  0  0  0
 29 16  1  0  0  0  0
 20 21  2  0  0  0  0
 19 30  2  0  0  0  0
M  END
>  <Mol_ID> (2,049)
2049

>  <Formula> (2,049)
C25H27ClN4O2

>  <MolWeight> (2,049)
450.96048

>  <COMPOUND_NAME> (2,049)
WAY-334234

>  <BAR_CODE_NO> (2,049)
309235

$$$$
WAY-334237
csChFnd80/06171916322D

 34 38  0  0  0  0  0  0  0  0999 V2000
   -1.9958    4.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9958    6.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9375    3.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9958    4.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.9375    2.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2958    4.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6458    3.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9958    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9375    1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1458    1.2458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458    3.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0958    0.6375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458    5.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6375    5.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6375    5.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458    5.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8333    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5958    4.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958    2.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2875    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2875    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6375    7.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458    7.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9958    8.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458    8.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6375    8.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458    2.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9958    9.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458    2.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6375    9.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458    3.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 17  1  0  0  0  0
  3  7  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8  5  2  0  0  0  0
  9  4  1  0  0  0  0
 10  2  1  0  0  0  0
 11 23  1  0  0  0  0
 12  6  1  0  0  0  0
 13  4  1  0  0  0  0
 14 11  1  0  0  0  0
 15  1  1  0  0  0  0
 16  1  1  0  0  0  0
 17 16  1  0  0  0  0
 18 15  1  0  0  0  0
 19 12  1  0  0  0  0
 20  3  2  0  0  0  0
 21 29  2  0  0  0  0
 22  5  1  0  0  0  0
 23 22  2  0  0  0  0
 24 10  1  0  0  0  0
 25 10  2  0  0  0  0
 26 27  2  0  0  0  0
 27 25  1  0  0  0  0
 28 24  2  0  0  0  0
 29 13  1  0  0  0  0
 30 26  1  0  0  0  0
 31 13  2  0  0  0  0
 32 34  2  0  0  0  0
 33 30  1  0  0  0  0
 34 31  1  0  0  0  0
  2 18  1  0  0  0  0
 32 21  1  0  0  0  0
 26 28  1  0  0  0  0
  6 11  2  0  0  0  0
 19 14  1  0  0  0  0
M  END
>  <Mol_ID> (2,050)
2050

>  <Formula> (2,050)
C26H28N4O4

>  <MolWeight> (2,050)
460.52492

>  <COMPOUND_NAME> (2,050)
WAY-334237

>  <BAR_CODE_NO> (2,050)
309238

$$$$
WAY-334248
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -5.8083    4.5250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5083    5.2750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9125    5.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9125    4.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8625    5.6500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.5625    5.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4542    4.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2125    5.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3583    4.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8625    6.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1583    4.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8083    5.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5083    4.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1583    5.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5583    4.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708    5.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6625    3.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2125    7.5250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1042    4.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000    3.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2125    6.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1042    5.2750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4542    3.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5083    6.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8625    7.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7542    4.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7500    5.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5083    7.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0917    3.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7542    3.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 14  1  0  0  0  0
  3  6  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  8  1  0  0  0  0
  7  1  1  0  0  0  0
  8  5  1  0  0  0  0
  9  4  1  0  0  0  0
 10  5  1  0  0  0  0
 11  1  1  0  0  0  0
 12  1  1  0  0  0  0
 13 11  1  0  0  0  0
 14 12  1  0  0  0  0
 15  4  2  0  0  0  0
 16  3  2  0  0  0  0
 17  9  1  0  0  0  0
 18 21  2  0  0  0  0
 19  7  2  0  0  0  0
 20 15  1  0  0  0  0
 21 10  1  0  0  0  0
 22 19  1  0  0  0  0
 23  7  1  0  0  0  0
 24 10  2  0  0  0  0
 25 28  2  0  0  0  0
 26 19  1  0  0  0  0
 27 22  1  0  0  0  0
 28 24  1  0  0  0  0
 29 23  2  0  0  0  0
 30 29  1  0  0  0  0
  2 13  1  0  0  0  0
 30 26  2  0  0  0  0
 25 18  1  0  0  0  0
 20 17  2  0  0  0  0
M  END
>  <Mol_ID> (2,051)
2051

>  <Formula> (2,051)
C23H26N4O3

>  <MolWeight> (2,051)
406.47754

>  <COMPOUND_NAME> (2,051)
WAY-334248

>  <BAR_CODE_NO> (2,051)
309249

$$$$
WAY-334256
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
   -4.5083    5.2750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8083    4.5250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9125    5.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8625    5.6500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.5625    5.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2125    5.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708    5.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4542    4.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8625    6.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5083    4.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1583    5.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8083    5.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1583    4.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9125    4.5250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6208    5.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2125    7.5250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0917    4.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4542    3.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292    5.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7500    3.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7500    4.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0917    3.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792    5.2667    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -8.4042    3.0208    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2125    6.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708    6.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6208    6.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5083    6.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8625    7.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292    6.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5083    7.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 12  1  0  0  0  0
  3  5  1  0  0  0  0
  4  1  1  0  0  0  0
  5  6  1  0  0  0  0
  6  4  1  0  0  0  0
  7  3  1  0  0  0  0
  8  2  1  0  0  0  0
  9  4  1  0  0  0  0
 10  1  1  0  0  0  0
 11  1  1  0  0  0  0
 12 11  1  0  0  0  0
 13 10  1  0  0  0  0
 14  3  2  0  0  0  0
 15  7  2  0  0  0  0
 16 25  2  0  0  0  0
 17  8  2  0  0  0  0
 18  8  1  0  0  0  0
 19 15  1  0  0  0  0
 20 22  1  0  0  0  0
 21 17  1  0  0  0  0
 22 18  2  0  0  0  0
 23 19  1  0  0  0  0
 24 20  1  0  0  0  0
 25  9  1  0  0  0  0
 26  7  1  0  0  0  0
 27 26  2  0  0  0  0
 28  9  2  0  0  0  0
 29 31  2  0  0  0  0
 30 27  1  0  0  0  0
 31 28  1  0  0  0  0
  2 13  1  0  0  0  0
 29 16  1  0  0  0  0
 20 21  2  0  0  0  0
 19 30  2  0  0  0  0
M  END
>  <Mol_ID> (2,052)
2052

>  <Formula> (2,052)
C24H24ClFN4O

>  <MolWeight> (2,052)
438.9249632

>  <COMPOUND_NAME> (2,052)
WAY-334256

>  <BAR_CODE_NO> (2,052)
309257

$$$$
WAY-334265
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -5.8083    4.5250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5083    5.2750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9125    5.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8625    5.6500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -6.4542    4.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5625    5.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2125    5.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8625    6.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8083    5.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1583    4.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1583    5.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5083    4.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1042    4.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708    5.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2125    7.5250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9125    4.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1042    5.2750    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2125    6.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4542    3.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5083    6.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8625    7.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7542    4.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5625    4.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708    4.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5083    7.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0917    3.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7542    3.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708    3.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5625    3.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9125    3.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 12  1  0  0  0  0
  3  6  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  4  1  0  0  0  0
  8  4  1  0  0  0  0
  9  1  1  0  0  0  0
 10  1  1  0  0  0  0
 11  9  1  0  0  0  0
 12 10  1  0  0  0  0
 13  5  2  0  0  0  0
 14  3  2  0  0  0  0
 15 18  2  0  0  0  0
 16  3  1  0  0  0  0
 17 13  1  0  0  0  0
 18  8  1  0  0  0  0
 19  5  1  0  0  0  0
 20  8  2  0  0  0  0
 21 25  2  0  0  0  0
 22 13  1  0  0  0  0
 23 16  1  0  0  0  0
 24 16  1  0  0  0  0
 25 20  1  0  0  0  0
 26 19  2  0  0  0  0
 27 26  1  0  0  0  0
 28 24  1  0  0  0  0
 29 23  1  0  0  0  0
 30 28  1  0  0  0  0
 11  2  1  0  0  0  0
 27 22  2  0  0  0  0
 21 15  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (2,053)
2053

>  <Formula> (2,053)
C24H31FN4O

>  <MolWeight> (2,053)
410.5275432

>  <COMPOUND_NAME> (2,053)
WAY-334265

>  <BAR_CODE_NO> (2,053)
309266

$$$$
WAY-334279
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -5.8083    4.5250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5083    5.2750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9125    5.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8625    5.6500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -6.4542    4.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2125    5.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5625    5.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8625    6.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8083    5.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1583    4.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1583    5.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5083    4.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708    5.6542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1042    4.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2125    7.5250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9125    4.5250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1042    5.2750    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2125    6.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4542    3.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5083    6.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8625    7.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7542    4.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5583    4.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5083    7.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0917    3.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7542    3.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 12  1  0  0  0  0
  3  7  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  4  1  0  0  0  0
  9  1  1  0  0  0  0
 10  1  1  0  0  0  0
 11  9  1  0  0  0  0
 12 10  1  0  0  0  0
 13  3  2  0  0  0  0
 14  5  2  0  0  0  0
 15 18  2  0  0  0  0
 16  3  1  0  0  0  0
 17 14  1  0  0  0  0
 18  8  1  0  0  0  0
 19  5  1  0  0  0  0
 20  8  2  0  0  0  0
 21 24  2  0  0  0  0
 22 14  1  0  0  0  0
 23 16  1  0  0  0  0
 24 20  1  0  0  0  0
 25 19  2  0  0  0  0
 26 25  1  0  0  0  0
 11  2  1  0  0  0  0
 26 22  2  0  0  0  0
 21 15  1  0  0  0  0
M  END
>  <Mol_ID> (2,054)
2054

>  <Formula> (2,054)
C19H23FN4O2

>  <MolWeight> (2,054)
358.4099232

>  <COMPOUND_NAME> (2,054)
WAY-334279

>  <BAR_CODE_NO> (2,054)
309280

$$$$
WAY-334282
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -3.8708    3.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4625    3.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    5.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    4.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000    4.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    5.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8625    5.4417    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.9583    2.4333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2708    4.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    3.3958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8625    6.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6833    2.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2833    5.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    4.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2875    3.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9958    5.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4833    1.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7042    3.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    7.4917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6958    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    6.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    6.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8625    7.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4042    4.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7042    3.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    7.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4167    2.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1250    3.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1292    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  7  1  0  0  0  0
  4  1  1  0  0  0  0
  5 15  1  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  2  1  0  0  0  0
  9  1  2  0  0  0  0
 10  1  2  0  0  0  0
 11  7  1  0  0  0  0
 12  2  2  0  0  0  0
 13  3  1  0  0  0  0
 14  3  1  0  0  0  0
 15 14  1  0  0  0  0
 16 13  1  0  0  0  0
 17  8  1  0  0  0  0
 18  5  1  0  0  0  0
 19 21  2  0  0  0  0
 20 12  1  0  0  0  0
 21 11  1  0  0  0  0
 22 11  2  0  0  0  0
 23 26  2  0  0  0  0
 24 18  2  0  0  0  0
 25 18  1  0  0  0  0
 26 22  1  0  0  0  0
 27 25  2  0  0  0  0
 28 24  1  0  0  0  0
 29 27  1  0  0  0  0
 17 20  2  0  0  0  0
 16  5  1  0  0  0  0
 19 23  1  0  0  0  0
 28 29  2  0  0  0  0
M  END
>  <Mol_ID> (2,055)
2055

>  <Formula> (2,055)
C21H24N4O2S2

>  <MolWeight> (2,055)
428.57086

>  <COMPOUND_NAME> (2,055)
WAY-334282

>  <BAR_CODE_NO> (2,055)
309283

$$$$
WAY-334283
csChFnd80/06171916322D

 32 35  0  0  0  0  0  0  0  0999 V2000
    6.7417   -3.8042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.4667   -3.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4792   -1.6542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3167   -3.0792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8292   -1.6792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7292   -2.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3042   -1.6417    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.4667   -2.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1792   -3.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7750   -3.8417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7542   -4.6167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7125   -0.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0625   -0.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0792   -2.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2500   -2.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2292   -0.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0042   -1.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9500   -0.1917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8917   -3.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1792   -2.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1792   -4.6167    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.8917   -2.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1792   -1.3125    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.5417   -0.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2875   -0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5167    0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6000   -2.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5792   -0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6917    0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7750   -2.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3417   -1.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  7  1  0  0  0  0
  4  1  1  0  0  0  0
  5 15  1  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  2  1  0  0  0  0
  9  2  2  0  0  0  0
 10  1  2  0  0  0  0
 11  1  2  0  0  0  0
 12  7  1  0  0  0  0
 13  3  1  0  0  0  0
 14  3  1  0  0  0  0
 15 14  1  0  0  0  0
 16 13  1  0  0  0  0
 17  5  1  0  0  0  0
 18 24  2  0  0  0  0
 19  9  1  0  0  0  0
 20  8  2  0  0  0  0
 21  9  1  0  0  0  0
 22 19  2  0  0  0  0
 23 20  1  0  0  0  0
 24 12  1  0  0  0  0
 25 12  2  0  0  0  0
 26 29  2  0  0  0  0
 27 17  1  0  0  0  0
 28 17  2  0  0  0  0
 29 25  1  0  0  0  0
 30 28  1  0  0  0  0
 31 27  2  0  0  0  0
 32 30  2  0  0  0  0
 22 20  1  0  0  0  0
 16  5  1  0  0  0  0
 18 26  1  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <Mol_ID> (2,056)
2056

>  <Formula> (2,056)
C23H24F2N4O2S

>  <MolWeight> (2,056)
458.5240664

>  <COMPOUND_NAME> (2,056)
WAY-334283

>  <BAR_CODE_NO> (2,056)
309284

$$$$
WAY-334285
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
    8.9167   -3.7667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.7417   -2.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3167   -3.3792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4667   -2.1250    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.1917   -2.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2042   -3.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3292   -3.0500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5042   -4.4917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4542   -1.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7417   -3.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0292   -2.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3167   -2.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0292   -3.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6000   -3.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1625   -0.0542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6417   -4.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1667   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7375   -0.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4417    0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8875   -3.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6000   -4.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3542   -3.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7292   -0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1667   -3.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8875   -5.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1667   -4.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3 12  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  7  1  2  0  0  0  0
  8  1  2  0  0  0  0
  9  4  1  0  0  0  0
 10  2  1  0  0  0  0
 11  2  1  0  0  0  0
 12 11  1  0  0  0  0
 13 10  1  0  0  0  0
 14  3  1  0  0  0  0
 15 17  2  0  0  0  0
 16  1  1  0  0  0  0
 17  9  1  0  0  0  0
 18  9  2  0  0  0  0
 19 23  2  0  0  0  0
 20 14  2  0  0  0  0
 21 14  1  0  0  0  0
 22 16  1  0  0  0  0
 23 18  1  0  0  0  0
 24 20  1  0  0  0  0
 25 21  2  0  0  0  0
 26 25  1  0  0  0  0
  3 13  1  0  0  0  0
 15 19  1  0  0  0  0
 24 26  2  0  0  0  0
M  END
>  <Mol_ID> (2,057)
2057

>  <Formula> (2,057)
C19H26N4O2S

>  <MolWeight> (2,057)
374.50034

>  <COMPOUND_NAME> (2,057)
WAY-334285

>  <BAR_CODE_NO> (2,057)
309286

$$$$
WAY-334293
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -3.8708    3.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4625    3.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    5.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    4.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000    4.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    5.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8625    5.4417    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.9583    2.4333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2708    4.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    3.3958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7042    3.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8625    6.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6833    2.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    4.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2833    5.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9958    5.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2875    3.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4833    1.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    7.4917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6958    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4042    4.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7042    3.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1292    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4167    2.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1250    3.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8417    2.5958    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    6.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    6.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8625    7.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    7.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  7  1  0  0  0  0
  4  1  1  0  0  0  0
  5 16  1  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  2  1  0  0  0  0
  9  1  2  0  0  0  0
 10  1  2  0  0  0  0
 11  5  1  0  0  0  0
 12  7  1  0  0  0  0
 13  2  2  0  0  0  0
 14  3  1  0  0  0  0
 15  3  1  0  0  0  0
 16 15  1  0  0  0  0
 17 14  1  0  0  0  0
 18  8  1  0  0  0  0
 19 27  2  0  0  0  0
 20 13  1  0  0  0  0
 21 11  2  0  0  0  0
 22 11  1  0  0  0  0
 23 24  1  0  0  0  0
 24 22  2  0  0  0  0
 25 21  1  0  0  0  0
 26 23  1  0  0  0  0
 27 12  1  0  0  0  0
 28 12  2  0  0  0  0
 29 30  2  0  0  0  0
 30 28  1  0  0  0  0
 18 20  2  0  0  0  0
 17  5  1  0  0  0  0
 19 29  1  0  0  0  0
 25 23  2  0  0  0  0
M  END
>  <Mol_ID> (2,058)
2058

>  <Formula> (2,058)
C21H23FN4O2S2

>  <MolWeight> (2,058)
446.5613232

>  <COMPOUND_NAME> (2,058)
WAY-334293

>  <BAR_CODE_NO> (2,058)
309294

$$$$
WAY-334296
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
    9.2542   -3.7125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.1042   -2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6792   -3.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8292   -2.0542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.5417   -2.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5417   -3.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9625   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6750   -2.9917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8417   -4.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8292   -1.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3917   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1042   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3917   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6792   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5417    0.0125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9625   -4.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2417   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9792   -4.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5292   -4.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2500   -4.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5292   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8042   -4.9542    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.5417   -0.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1167   -0.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8292    0.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6917   -3.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1167    0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3 13  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  1  2  0  0  0  0
  9  1  2  0  0  0  0
 10  4  1  0  0  0  0
 11  2  1  0  0  0  0
 12  2  1  0  0  0  0
 13 12  1  0  0  0  0
 14 11  1  0  0  0  0
 15 23  2  0  0  0  0
 16  7  1  0  0  0  0
 17  7  2  0  0  0  0
 18  1  1  0  0  0  0
 19 21  2  0  0  0  0
 20 16  2  0  0  0  0
 21 17  1  0  0  0  0
 22 19  1  0  0  0  0
 23 10  1  0  0  0  0
 24 10  2  0  0  0  0
 25 27  2  0  0  0  0
 26 18  1  0  0  0  0
 27 24  1  0  0  0  0
 14  3  1  0  0  0  0
 15 25  1  0  0  0  0
 20 19  1  0  0  0  0
M  END
>  <Mol_ID> (2,059)
2059

>  <Formula> (2,059)
C19H25FN4O2S

>  <MolWeight> (2,059)
392.4908032

>  <COMPOUND_NAME> (2,059)
WAY-334296

>  <BAR_CODE_NO> (2,059)
309297

$$$$
WAY-334298
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
    9.2792   -3.6917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.1042   -2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5667   -3.2875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6792   -3.3042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5542   -2.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8292   -2.0500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.0042   -4.1042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6917   -2.9750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8667   -4.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9667   -3.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8167   -1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1042   -3.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3917   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6792   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3917   -3.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5250    0.0208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2542   -3.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9667   -4.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5375   -4.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2542   -4.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5375   -3.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8167   -4.9667    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.5292   -0.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1000   -0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8042    0.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0417   -4.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2875   -5.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0917    0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8792   -5.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6292   -5.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0500   -5.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  6  1  0  0  0  0
  3  1  1  0  0  0  0
  4 14  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  1  2  0  0  0  0
  8  1  2  0  0  0  0
  9  1  1  0  0  0  0
 10  4  1  0  0  0  0
 11  6  1  0  0  0  0
 12  2  1  0  0  0  0
 13  2  1  0  0  0  0
 14 13  1  0  0  0  0
 15 12  1  0  0  0  0
 16 23  2  0  0  0  0
 17 10  2  0  0  0  0
 18 10  1  0  0  0  0
 19 20  1  0  0  0  0
 20 18  2  0  0  0  0
 21 17  1  0  0  0  0
 22 19  1  0  0  0  0
 23 11  1  0  0  0  0
 24 11  2  0  0  0  0
 25 28  2  0  0  0  0
 26  9  2  0  0  0  0
 27  9  1  0  0  0  0
 28 24  1  0  0  0  0
 29 27  2  0  0  0  0
 30 26  1  0  0  0  0
 31 29  1  0  0  0  0
 30 31  2  0  0  0  0
 15  4  1  0  0  0  0
 16 25  1  0  0  0  0
 21 19  2  0  0  0  0
M  END
>  <Mol_ID> (2,060)
2060

>  <Formula> (2,060)
C23H25FN4O2S

>  <MolWeight> (2,060)
440.5336032

>  <COMPOUND_NAME> (2,060)
WAY-334298

>  <BAR_CODE_NO> (2,060)
309299

$$$$
WAY-334305
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
    9.6125   -2.5250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.3042   -3.3667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7375   -2.5417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4542   -2.1167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.1792   -2.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8917   -2.1167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5917   -3.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0167   -1.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2000   -3.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4542   -1.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3042   -2.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0167   -3.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0167   -2.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7375   -3.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8750   -3.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1667   -0.0542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3292   -2.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8750   -2.5417    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.1667   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5917   -4.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7417   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4542    0.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1542   -3.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3417   -3.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7417   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8792   -5.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1542   -4.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 12  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  1  2  0  0  0  0
  9  1  2  0  0  0  0
 10  4  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13  3  1  0  0  0  0
 14  3  1  0  0  0  0
 15  7  2  0  0  0  0
 16 19  2  0  0  0  0
 17  1  1  0  0  0  0
 18 15  1  0  0  0  0
 19 10  1  0  0  0  0
 20  7  1  0  0  0  0
 21 10  2  0  0  0  0
 22 25  2  0  0  0  0
 23 15  1  0  0  0  0
 24 17  1  0  0  0  0
 25 21  1  0  0  0  0
 26 20  2  0  0  0  0
 27 26  1  0  0  0  0
 11  2  1  0  0  0  0
 16 22  1  0  0  0  0
 23 27  2  0  0  0  0
M  END
>  <Mol_ID> (2,061)
2061

>  <Formula> (2,061)
C19H25FN4O2S

>  <MolWeight> (2,061)
392.4908032

>  <COMPOUND_NAME> (2,061)
WAY-334305

>  <BAR_CODE_NO> (2,061)
309306

$$$$
WAY-334311
csChFnd80/06171916322D

 25 26  0  0  0  0  0  0  0  0999 V2000
    3.2875  -11.5167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667  -11.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0875   -9.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0250   -9.6792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042  -13.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7792   -7.8542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8417   -6.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6542   -7.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9417   -6.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2750  -13.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2667   -9.3917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4042  -11.5250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5917   -9.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -4.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6042   -6.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7875   -4.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0208  -13.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0833  -11.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417   -7.8375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.9917   -7.8250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.4667   -9.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9417   -2.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8125   -2.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0833  -15.2042    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   15.9792   -0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  2  2  0  0  0  0
  6  8  1  0  0  0  0
  7  6  1  0  0  0  0
  8 13  1  0  0  0  0
  9  7  2  0  0  0  0
 10  1  2  0  0  0  0
 11  1  2  0  0  0  0
 12  1  1  0  0  0  0
 13 21  1  0  0  0  0
 14  9  1  0  0  0  0
 15  8  2  0  0  0  0
 16  7  1  0  0  0  0
 17  5  1  0  0  0  0
 18 17  2  0  0  0  0
 19  3  1  0  0  0  0
 20  9  1  0  0  0  0
 21 12  1  0  0  0  0
 22 23  1  0  0  0  0
 23 16  2  0  0  0  0
 24 17  1  0  0  0  0
 25 22  1  0  0  0  0
 18  4  1  0  0  0  0
 14 22  2  0  0  0  0
M  END
>  <Mol_ID> (2,062)
2062

>  <Formula> (2,062)
C15H16BrClN4O3S

>  <MolWeight> (2,062)
447.73454

>  <COMPOUND_NAME> (2,062)
WAY-334311

>  <BAR_CODE_NO> (2,062)
309312

$$$$
WAY-334315
csChFnd80/06171916322D

 25 26  0  0  0  0  0  0  0  0999 V2000
    2.9042  -10.1750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292  -10.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792   -8.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7875   -8.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0917  -11.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5292   -6.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1250   -3.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2000   -5.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875   -8.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8917  -12.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7750  -10.1792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4042   -6.9375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3417   -5.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5875   -8.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1917   -2.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5917   -5.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833  -11.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3417   -2.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7208  -10.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0125   -6.9167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -3.7042    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.7125   -8.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4042   -3.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7208  -13.4292    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   14.1167   -0.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  2  2  0  0  0  0
  6 14  1  0  0  0  0
  7  8  2  0  0  0  0
  8 13  1  0  0  0  0
  9  1  2  0  0  0  0
 10  1  2  0  0  0  0
 11  1  1  0  0  0  0
 12  6  1  0  0  0  0
 13 12  1  0  0  0  0
 14 22  1  0  0  0  0
 15 18  2  0  0  0  0
 16  6  2  0  0  0  0
 17  5  1  0  0  0  0
 18 23  1  0  0  0  0
 19 17  2  0  0  0  0
 20  3  1  0  0  0  0
 21  7  1  0  0  0  0
 22 11  1  0  0  0  0
 23 13  2  0  0  0  0
 24 17  1  0  0  0  0
 25 15  1  0  0  0  0
 19  4  1  0  0  0  0
  7 15  1  0  0  0  0
M  END
>  <Mol_ID> (2,063)
2063

>  <Formula> (2,063)
C15H16BrClN4O3S

>  <MolWeight> (2,063)
447.73454

>  <COMPOUND_NAME> (2,063)
WAY-334315

>  <BAR_CODE_NO> (2,063)
309316

$$$$
WAY-334318
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -3.1583    5.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    5.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    6.2625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    4.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708    3.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1625    6.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708    5.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8750    6.2625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9583    2.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6208    4.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    6.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    5.0292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    3.8083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7583    2.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1708    7.4917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1708    3.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208    6.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    7.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3125    7.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083    6.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208    7.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3958    2.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3917    7.9042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0083    2.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042    7.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6583    1.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4583    1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  8  1  0  0  0  0
  7  1  2  0  0  0  0
  8  7  1  0  0  0  0
  9  5  1  0  0  0  0
 10  5  1  0  0  0  0
 11  3  1  0  0  0  0
 12  2  2  0  0  0  0
 13  4  2  0  0  0  0
 14  9  2  0  0  0  0
 15  6  2  0  0  0  0
 16 10  1  0  0  0  0
 17 11  1  0  0  0  0
 18 11  2  0  0  0  0
 19 21  2  0  0  0  0
 20 17  2  0  0  0  0
 21 18  1  0  0  0  0
 22  9  1  0  0  0  0
 23 19  1  0  0  0  0
 24 14  1  0  0  0  0
 25 23  1  0  0  0  0
 26 22  2  0  0  0  0
 27 26  1  0  0  0  0
  3  6  1  0  0  0  0
 16 14  1  0  0  0  0
 20 19  1  0  0  0  0
 27 24  2  0  0  0  0
M  END
>  <Mol_ID> (2,064)
2064

>  <Formula> (2,064)
C20H17N3O4

>  <MolWeight> (2,064)
363.36668

>  <COMPOUND_NAME> (2,064)
WAY-334318

>  <BAR_CODE_NO> (2,064)
309319

$$$$
WAY-334319
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -2.4458    6.2625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    5.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    5.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1625    6.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    4.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708    5.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8750    6.2625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708    3.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    6.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    2.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    5.0292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8583    1.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708    2.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1708    7.4917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    3.8083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2833    1.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8583    0.5208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208    6.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    7.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1458    1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1458    2.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3125    7.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083    6.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208    7.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3917    7.9042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2833    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5708    0.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042    7.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  7  1  0  0  0  0
  7  4  1  0  0  0  0
  8  5  1  0  0  0  0
  9  1  1  0  0  0  0
 10 11  1  0  0  0  0
 11 14  2  0  0  0  0
 12  2  2  0  0  0  0
 13 21  1  0  0  0  0
 14  8  1  0  0  0  0
 15  4  2  0  0  0  0
 16  5  2  0  0  0  0
 17 10  1  0  0  0  0
 18 13  1  0  0  0  0
 19  9  1  0  0  0  0
 20  9  2  0  0  0  0
 21 22  2  0  0  0  0
 22 14  1  0  0  0  0
 23 25  2  0  0  0  0
 24 19  2  0  0  0  0
 25 20  1  0  0  0  0
 26 23  1  0  0  0  0
 27 17  1  0  0  0  0
 28 18  1  0  0  0  0
 29 26  1  0  0  0  0
 24 23  1  0  0  0  0
  6  3  2  0  0  0  0
 10 13  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (2,065)
2065

>  <Formula> (2,065)
C20H17N3O6

>  <MolWeight> (2,065)
395.36548

>  <COMPOUND_NAME> (2,065)
WAY-334319

>  <BAR_CODE_NO> (2,065)
309320

$$$$
WAY-334321
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -3.1583    5.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    5.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4500    6.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    4.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708    3.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    6.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708    5.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708    6.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9583    2.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6208    4.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    6.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    5.0292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    3.8083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7583    2.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1625    7.4917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1708    3.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208    6.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    7.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083    7.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083    6.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208    7.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3958    2.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3917    7.9042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0083    2.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042    7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6583    1.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8167    7.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4583    1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  8  1  0  0  0  0
  7  1  2  0  0  0  0
  8  7  1  0  0  0  0
  9  5  1  0  0  0  0
 10  5  1  0  0  0  0
 11  3  1  0  0  0  0
 12  2  2  0  0  0  0
 13  4  2  0  0  0  0
 14  9  2  0  0  0  0
 15  6  2  0  0  0  0
 16 10  1  0  0  0  0
 17 11  1  0  0  0  0
 18 11  2  0  0  0  0
 19 21  2  0  0  0  0
 20 17  2  0  0  0  0
 21 18  1  0  0  0  0
 22  9  1  0  0  0  0
 23 19  1  0  0  0  0
 24 14  1  0  0  0  0
 25 23  1  0  0  0  0
 26 22  2  0  0  0  0
 27 25  1  0  0  0  0
 28 26  1  0  0  0  0
  3  6  1  0  0  0  0
 16 14  1  0  0  0  0
 20 19  1  0  0  0  0
 28 24  2  0  0  0  0
M  END
>  <Mol_ID> (2,066)
2066

>  <Formula> (2,066)
C21H19N3O4

>  <MolWeight> (2,066)
377.39326

>  <COMPOUND_NAME> (2,066)
WAY-334321

>  <BAR_CODE_NO> (2,066)
309322

$$$$
WAY-334328
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -2.4458    6.2625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4375    5.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    5.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    6.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    4.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    6.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708    5.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708    6.2625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708    3.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    7.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    2.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    5.0292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208    7.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8583    1.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708    2.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1625    7.4917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    3.8083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208    6.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2833    1.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3125    7.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8583    0.5208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083    6.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1458    1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1458    2.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0250    8.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2833    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5708    0.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3917    7.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  8  1  0  0  0  0
  8  4  1  0  0  0  0
  9  5  1  0  0  0  0
 10  6  2  0  0  0  0
 11 12  1  0  0  0  0
 12 16  2  0  0  0  0
 13  2  2  0  0  0  0
 14 10  1  0  0  0  0
 15 24  1  0  0  0  0
 16  9  1  0  0  0  0
 17  4  2  0  0  0  0
 18  5  2  0  0  0  0
 19  6  1  0  0  0  0
 20 11  1  0  0  0  0
 21 23  1  0  0  0  0
 22 15  1  0  0  0  0
 23 19  2  0  0  0  0
 24 25  2  0  0  0  0
 25 16  1  0  0  0  0
 26 14  1  0  0  0  0
 27 20  1  0  0  0  0
 28 22  1  0  0  0  0
 29 21  1  0  0  0  0
  7  3  2  0  0  0  0
 21 14  2  0  0  0  0
 11 15  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (2,067)
2067

>  <Formula> (2,067)
C21H19N3O5

>  <MolWeight> (2,067)
393.39266

>  <COMPOUND_NAME> (2,067)
WAY-334328

>  <BAR_CODE_NO> (2,067)
309329

$$$$
WAY-333165
csChFnd80/06171916322D

 35 39  0  0  0  0  0  0  0  0999 V2000
   -8.3542    8.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3542    7.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9292    9.4292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6542    9.7167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9667    8.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9667    7.4417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6542    6.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0667    8.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9292    6.9917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2708   12.0917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5458    8.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8000    9.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5333   13.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   13.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3042    9.7167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6542    5.1667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5333   10.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8000   12.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6542   11.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5458   10.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2708    9.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4292    5.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7417   14.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667   14.6792    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.9583    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9375    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2708   14.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5333   16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4375    3.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   15.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9583    4.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4833    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4875    4.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9875    1.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0125    2.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  2  1  0  0  0  0
  8  3  2  0  0  0  0
  9  2  1  0  0  0  0
 10 17  1  0  0  0  0
 11  8  1  0  0  0  0
 12 11  1  0  0  0  0
 13 10  1  0  0  0  0
 14 13  2  0  0  0  0
 15  5  2  0  0  0  0
 16  7  2  0  0  0  0
 17 21  1  0  0  0  0
 18 20  1  0  0  0  0
 19  4  1  0  0  0  0
 20 12  1  0  0  0  0
 21 12  1  0  0  0  0
 22  9  1  0  0  0  0
 23 14  1  0  0  0  0
 24 23  1  0  0  0  0
 25 29  1  0  0  0  0
 26 22  1  0  0  0  0
 27 13  1  0  0  0  0
 28 27  2  0  0  0  0
 29 26  1  0  0  0  0
 30 28  1  0  0  0  0
 31 25  1  0  0  0  0
 32 25  2  0  0  0  0
 33 31  2  0  0  0  0
 34 32  1  0  0  0  0
 35 34  2  0  0  0  0
  8  9  1  0  0  0  0
  7  6  1  0  0  0  0
 10 18  1  0  0  0  0
 33 35  1  0  0  0  0
 30 23  2  0  0  0  0
M  END
>  <Mol_ID> (2,068)
2068

>  <Formula> (2,068)
C26H29ClN6O2

>  <MolWeight> (2,068)
493.00046

>  <COMPOUND_NAME> (2,068)
WAY-333165

>  <BAR_CODE_NO> (2,068)
308166

$$$$
WAY-331238
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
   -6.9208    4.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9375    7.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9708    3.7958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0042    7.3167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0042    4.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9708    8.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6875    4.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3208    6.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7167    8.0667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9583    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2250    4.1667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0542    3.7833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9708   10.8667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9708    1.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0542    8.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9333    2.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5875    4.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9958   10.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -1.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6167    0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6417   -4.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2625    0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7667    2.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8708   14.2417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5833   12.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792   -4.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8375   -6.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4542   16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6542   -8.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833   -6.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292   -8.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  2  0  0  0  0
  9  2  1  0  0  0  0
 10  8  1  0  0  0  0
 11 10  1  0  0  0  0
 12  5  2  0  0  0  0
 13  6  2  0  0  0  0
 14  3  1  0  0  0  0
 15  4  1  0  0  0  0
 16 11  1  0  0  0  0
 17 11  1  0  0  0  0
 18  9  1  0  0  0  0
 19 20  1  0  0  0  0
 20 23  1  0  0  0  0
 21 19  1  0  0  0  0
 22 16  1  0  0  0  0
 23 17  1  0  0  0  0
 24 25  1  0  0  0  0
 25 18  1  0  0  0  0
 26 21  2  0  0  0  0
 27 21  1  0  0  0  0
 28 24  1  0  0  0  0
 29 27  2  0  0  0  0
 30 26  1  0  0  0  0
 31 29  1  0  0  0  0
  9  8  1  0  0  0  0
  4  6  1  0  0  0  0
 20 22  1  0  0  0  0
 31 30  2  0  0  0  0
M  END
>  <Mol_ID> (2,069)
2069

>  <Formula> (2,069)
C23H31N5O3

>  <MolWeight> (2,069)
425.52394

>  <COMPOUND_NAME> (2,069)
WAY-331238

>  <BAR_CODE_NO> (2,069)
306239

$$$$
WAY-331218
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
   -6.4042    6.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3917    4.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2917    3.5083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1583    6.7542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3500    7.4542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1583    4.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2917    7.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3333    3.9333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0625    5.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6958    9.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833    5.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0542    3.4958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2917   10.0417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917    7.5917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2917    1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0542    7.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208    9.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1583   11.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0542   14.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4833   13.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2833   10.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1625   11.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7417   12.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9375   14.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3750    7.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5083   16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542   11.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9500   13.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1417   15.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4292   13.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167   15.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  7  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  5  1  0  0  0  0
 10  5  1  0  0  0  0
 11  9  1  0  0  0  0
 12  6  2  0  0  0  0
 13  7  2  0  0  0  0
 14 11  1  0  0  0  0
 15  3  1  0  0  0  0
 16  4  1  0  0  0  0
 17 14  1  0  0  0  0
 18 10  1  0  0  0  0
 19 23  1  0  0  0  0
 20 18  2  0  0  0  0
 21 18  1  0  0  0  0
 22 17  1  0  0  0  0
 23 21  2  0  0  0  0
 24 20  1  0  0  0  0
 25 14  1  0  0  0  0
 26 19  1  0  0  0  0
 27 22  2  0  0  0  0
 28 22  1  0  0  0  0
 29 28  2  0  0  0  0
 30 27  1  0  0  0  0
 31 29  1  0  0  0  0
  9  8  2  0  0  0  0
  6  3  1  0  0  0  0
 19 24  2  0  0  0  0
 31 30  2  0  0  0  0
M  END
>  <Mol_ID> (2,070)
2070

>  <Formula> (2,070)
C24H27N5O2

>  <MolWeight> (2,070)
417.50348

>  <COMPOUND_NAME> (2,070)
WAY-331218

>  <BAR_CODE_NO> (2,070)
306219

$$$$
WAY-331217
csChFnd80/06171916322D

 32 35  0  0  0  0  0  0  0  0999 V2000
   -6.7667    7.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7542    4.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7542    3.7083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6000    7.8750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7375    7.1417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7375    4.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7542    8.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5792    4.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2375    6.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9000   10.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4542   11.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9333    6.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7375    3.6958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7542   10.6125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042    8.0250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7375   13.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7125   11.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7542    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7375    8.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2667   15.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708   10.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2500   12.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5333   15.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667   11.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5083    8.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5083   14.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5042   12.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4875   11.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083   13.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1500   15.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6292   14.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4542   16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  7  1  0  0  0  0
  6  5  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  4  1  0  0  0  0
 10  4  1  0  0  0  0
 11 10  1  0  0  0  0
 12  9  1  0  0  0  0
 13  6  2  0  0  0  0
 14  7  2  0  0  0  0
 15 12  1  0  0  0  0
 16 11  2  0  0  0  0
 17 11  1  0  0  0  0
 18  3  1  0  0  0  0
 19  5  1  0  0  0  0
 20 16  1  0  0  0  0
 21 15  1  0  0  0  0
 22 17  2  0  0  0  0
 23 22  1  0  0  0  0
 24 21  1  0  0  0  0
 25 15  1  0  0  0  0
 26 16  1  0  0  0  0
 27 22  1  0  0  0  0
 28 24  2  0  0  0  0
 29 24  1  0  0  0  0
 30 29  2  0  0  0  0
 31 28  1  0  0  0  0
 32 30  1  0  0  0  0
  9  8  2  0  0  0  0
  6  3  1  0  0  0  0
 23 20  2  0  0  0  0
 32 31  2  0  0  0  0
M  END
>  <Mol_ID> (2,071)
2071

>  <Formula> (2,071)
C25H29N5O2

>  <MolWeight> (2,071)
431.53006

>  <COMPOUND_NAME> (2,071)
WAY-331217

>  <BAR_CODE_NO> (2,071)
306218

$$$$
WAY-334045
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    0.0292    2.4250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3125    3.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8750    2.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5250    3.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3125    2.7083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0375    3.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5208    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958    2.4208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1000    3.7958    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917    3.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083    3.2583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542    1.5958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042    1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0958    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2125    3.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    3.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1500    1.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1417    3.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5667    2.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8917    0.9708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5542    3.9083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292    4.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  2  0  0  0  0
  3  1  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6 15  1  0  0  0  0
  7  6  2  0  0  0  0
  8  1  1  0  0  0  0
  9  2  1  0  0  0  0
 10  3  1  0  0  0  0
 11  1  2  0  0  0  0
 12  1  2  0  0  0  0
 13  3  2  0  0  0  0
 14  5  1  0  0  0  0
 15  8  1  0  0  0  0
 16 14  2  0  0  0  0
 17 13  1  0  0  0  0
 18 10  2  0  0  0  0
 19 17  2  0  0  0  0
 20 13  1  0  0  0  0
 21 18  1  0  0  0  0
 22 20  1  0  0  0  0
 23 21  1  0  0  0  0
 18 19  1  0  0  0  0
  2  5  1  0  0  0  0
  9 16  1  0  0  0  0
M  END
>  <Mol_ID> (2,072)
2072

>  <Formula> (2,072)
C14H15N3O4S2

>  <MolWeight> (2,072)
353.4166

>  <COMPOUND_NAME> (2,072)
WAY-334045

>  <BAR_CODE_NO> (2,072)
309046

$$$$
WAY-334053
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -1.0583    0.3083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3667    1.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5625    0.9833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2250    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0792    0.7333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5625   -0.3667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2250   -0.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9375    1.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3625    1.9625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7917    1.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542   -0.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9375   -0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8042   -1.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0792   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7917    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5125    0.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2250    1.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000    2.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2250    1.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  6  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  9  2  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9  4  1  0  0  0  0
 10  2  2  0  0  0  0
 11  5  1  0  0  0  0
 12 13  2  0  0  0  0
 13  8  1  0  0  0  0
 14 16  1  0  0  0  0
 15 14  2  0  0  0  0
 16  5  1  0  0  0  0
 17 11  1  0  0  0  0
 18 11  2  0  0  0  0
 19 18  1  0  0  0  0
 20 17  2  0  0  0  0
 21 19  2  0  0  0  0
  4  8  2  0  0  0  0
  6 12  1  0  0  0  0
 21 20  1  0  0  0  0
M  END
>  <Mol_ID> (2,073)
2073

>  <Formula> (2,073)
C16H13N3OS

>  <MolWeight> (2,073)
295.35892

>  <COMPOUND_NAME> (2,073)
WAY-334053

>  <BAR_CODE_NO> (2,073)
309054

$$$$
WAY-334059
csChFnd80/06171916322D

 20 23  0  0  0  0  0  0  0  0999 V2000
    4.0792    4.4792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9875    5.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0792    6.9375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6292    4.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6292    6.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4792    5.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4000    3.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0792    2.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2542    6.8417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3917    1.9958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2542    4.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4917    0.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5667    6.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7125    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5667    5.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5292    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3125    4.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3125    7.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9  6  1  0  0  0  0
 10  8  1  0  0  0  0
 11  6  2  0  0  0  0
 12  8  2  0  0  0  0
 13  9  1  0  0  0  0
 14 10  1  0  0  0  0
 15 11  1  0  0  0  0
 16 12  1  0  0  0  0
 17  4  2  0  0  0  0
 18  5  2  0  0  0  0
 19 17  1  0  0  0  0
 20 19  2  0  0  0  0
  5  3  1  0  0  0  0
 14 16  2  0  0  0  0
 20 18  1  0  0  0  0
 13 15  2  0  0  0  0
M  END
>  <Mol_ID> (2,074)
2074

>  <Formula> (2,074)
C16H12N2O2

>  <MolWeight> (2,074)
264.27868

>  <COMPOUND_NAME> (2,074)
WAY-334059

>  <BAR_CODE_NO> (2,074)
309060

$$$$
WAY-334063
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
    9.0750   -7.9167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.6125   -7.9167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.6917  -10.5875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0750   -9.4542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0750   -6.3792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3792   -9.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5375   -7.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9167   -9.2542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.6917   -7.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9250  -11.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3875  -14.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6167  -15.9250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.3917  -11.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7000  -13.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6167  -13.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292  -14.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7667   -9.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7625   -6.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9167   -6.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2292   -7.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6917   -5.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2125   -9.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2125   -6.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2292   -5.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4375   -7.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  8  1  0  0  0  0
  4  1  2  0  0  0  0
  5  1  2  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  3  1  0  0  0  0
 11 16  2  0  0  0  0
 12 11  1  0  0  0  0
 13 10  1  0  0  0  0
 14 10  2  0  0  0  0
 15 13  2  0  0  0  0
 16 14  1  0  0  0  0
 17  7  2  0  0  0  0
 18  7  1  0  0  0  0
 19  9  2  0  0  0  0
 20  9  1  0  0  0  0
 21 20  2  0  0  0  0
 22 19  1  0  0  0  0
 23 17  1  0  0  0  0
 24 18  2  0  0  0  0
 25 21  1  0  0  0  0
 26 24  1  0  0  0  0
 26 23  2  0  0  0  0
 25 22  2  0  0  0  0
 15 11  1  0  0  0  0
M  END
>  <Mol_ID> (2,075)
2075

>  <Formula> (2,075)
C20H19ClN2O2S

>  <MolWeight> (2,075)
386.89506

>  <COMPOUND_NAME> (2,075)
WAY-334063

>  <BAR_CODE_NO> (2,075)
309064

$$$$
WAY-334066
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    7.2667   -9.7167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.7250   -9.7167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4500  -10.9750    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2667   -8.2625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2667  -11.1667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6292   -9.7167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8125   -9.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9042  -10.9750    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.0792   -9.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7250  -12.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6292  -12.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0917  -10.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0792   -8.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8042   -8.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8125  -10.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4500  -13.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9042  -13.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6167  -10.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6167   -8.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2667   -8.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2667  -10.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8792   -9.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -9.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  2  0  0  0  0
  5  1  2  0  0  0  0
  6  8  1  0  0  0  0
  7  1  1  0  0  0  0
  8  3  1  0  0  0  0
  9  6  1  0  0  0  0
 10  3  1  0  0  0  0
 11  8  1  0  0  0  0
 12  7  2  0  0  0  0
 13  7  1  0  0  0  0
 14  9  2  0  0  0  0
 15  9  1  0  0  0  0
 16 10  1  0  0  0  0
 17 16  1  0  0  0  0
 18 12  1  0  0  0  0
 19 13  2  0  0  0  0
 20 14  1  0  0  0  0
 21 15  2  0  0  0  0
 22 19  1  0  0  0  0
 23 21  1  0  0  0  0
 22 18  2  0  0  0  0
 11 17  1  0  0  0  0
 23 20  2  0  0  0  0
M  END
>  <Mol_ID> (2,076)
2076

>  <Formula> (2,076)
C18H22N2O2S

>  <MolWeight> (2,076)
330.44448

>  <COMPOUND_NAME> (2,076)
WAY-334066

>  <BAR_CODE_NO> (2,076)
309067

$$$$
WAY-334098
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    0.2917   -0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2917    0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7125   -1.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5875    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7125    1.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083   -1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3500   -1.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1125   -2.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8500   -1.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6125   -2.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083    1.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3667   -3.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3208    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3208   -0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6292   -5.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9375   -0.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0792    0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3667   -3.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1292   -5.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8750   -3.8042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3917   -6.4167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000   -2.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4625   -2.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7917   -7.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  9  1  0  0  0  0
  8  7  1  0  0  0  0
  9 17  1  0  0  0  0
 10  8  2  0  0  0  0
 11  2  1  0  0  0  0
 12 10  1  0  0  0  0
 13 14  1  0  0  0  0
 14  6  2  0  0  0  0
 15 19  1  0  0  0  0
 16  7  2  0  0  0  0
 17  4  1  0  0  0  0
 18  8  1  0  0  0  0
 19 18  2  0  0  0  0
 20 12  1  0  0  0  0
 21 15  1  0  0  0  0
 22  6  1  0  0  0  0
 23 20  1  0  0  0  0
 24 21  1  0  0  0  0
  5  4  2  0  0  0  0
 11 13  2  0  0  0  0
 12 15  2  0  0  0  0
M  END
>  <Mol_ID> (2,077)
2077

>  <Formula> (2,077)
C18H19N3O3

>  <MolWeight> (2,077)
325.36176

>  <COMPOUND_NAME> (2,077)
WAY-334098

>  <BAR_CODE_NO> (2,077)
309099

$$$$
WAY-334105
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -3.1625    2.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8750    2.1833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5583    2.0458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8875    1.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7083    1.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2292   -0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208   -0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2458   -0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1625    3.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167   -0.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0125   -0.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6583    0.5750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    2.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    3.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8750    3.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6583   -0.8542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4833    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0542   -0.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    1.2833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2292   -1.5750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    3.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4625    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167    1.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0500   -1.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  8 14  1  0  0  0  0
  9  1  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12  7  2  0  0  0  0
 13  7  1  0  0  0  0
 14 19  1  0  0  0  0
 15  2  1  0  0  0  0
 16 17  1  0  0  0  0
 17  9  2  0  0  0  0
 18  8  2  0  0  0  0
 19  4  1  0  0  0  0
 20  6  1  0  0  0  0
 21 10  1  0  0  0  0
 22 11  1  0  0  0  0
 23  9  1  0  0  0  0
 24 20  1  0  0  0  0
 25 21  1  0  0  0  0
 26 22  1  0  0  0  0
  5  4  2  0  0  0  0
 15 16  2  0  0  0  0
  6 10  2  0  0  0  0
M  END
>  <Mol_ID> (2,078)
2078

>  <Formula> (2,078)
C19H21N3O4

>  <MolWeight> (2,078)
355.38774

>  <COMPOUND_NAME> (2,078)
WAY-334105

>  <BAR_CODE_NO> (2,078)
309106

$$$$
WAY-334193
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -2.3833    5.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6583    5.0792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1250    5.0792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500    4.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1208    4.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3833    3.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8625    3.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8625    2.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3833    6.3542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083    3.8083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083    5.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1458    1.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6208    1.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6083    2.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1333    2.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8958    1.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208    6.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1625    5.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3708    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3958    1.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667    5.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1708    6.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5750    6.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  2  0  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
  9  1  2  0  0  0  0
 10  4  2  0  0  0  0
 11  2  1  0  0  0  0
 12 15  2  0  0  0  0
 13 14  1  0  0  0  0
 14  8  2  0  0  0  0
 15  8  1  0  0  0  0
 16 12  1  0  0  0  0
 17 11  1  0  0  0  0
 18 11  1  0  0  0  0
 19 13  1  0  0  0  0
 20 12  1  0  0  0  0
 21 18  1  0  0  0  0
 22 17  1  0  0  0  0
 23 21  1  0  0  0  0
  6  4  1  0  0  0  0
 23 22  1  0  0  0  0
 16 13  2  0  0  0  0
M  END
>  <Mol_ID> (2,079)
2079

>  <Formula> (2,079)
C18H23N3O2

>  <MolWeight> (2,079)
313.39412

>  <COMPOUND_NAME> (2,079)
WAY-334193

>  <BAR_CODE_NO> (2,079)
309194

$$$$
WAY-334195
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -2.3833    5.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6583    5.0792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1250    5.0792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500    4.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1208    4.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3833    3.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8625    3.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8625    2.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1250    2.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3833    6.3542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1208    1.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083    3.8083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083    5.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6083    2.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8458    1.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6000    1.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3833    2.9583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8500    0.3583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208    6.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1625    5.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6375    2.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1125   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667    5.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1708    6.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5750    6.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  2  0  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  1  2  0  0  0  0
 11  9  1  0  0  0  0
 12  4  2  0  0  0  0
 13  2  1  0  0  0  0
 14  8  1  0  0  0  0
 15 16  1  0  0  0  0
 16 14  2  0  0  0  0
 17  9  1  0  0  0  0
 18 15  1  0  0  0  0
 19 13  1  0  0  0  0
 20 13  1  0  0  0  0
 21 17  1  0  0  0  0
 22 18  1  0  0  0  0
 23 20  1  0  0  0  0
 24 19  1  0  0  0  0
 25 23  1  0  0  0  0
  6  4  1  0  0  0  0
 25 24  1  0  0  0  0
 11 15  2  0  0  0  0
M  END
>  <Mol_ID> (2,080)
2080

>  <Formula> (2,080)
C18H23N3O4

>  <MolWeight> (2,080)
345.39292

>  <COMPOUND_NAME> (2,080)
WAY-334195

>  <BAR_CODE_NO> (2,080)
309196

$$$$
WAY-334215
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -4.5083    5.2750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8083    4.5250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9125    5.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8625    5.6500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.5625    5.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2125    5.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8625    6.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5083    4.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1583    5.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8083    5.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1583    4.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4500    4.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708    5.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2125    7.5250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9125    4.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2125    6.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5083    6.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8625    7.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4500    3.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0917    4.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5625    4.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708    4.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5083    7.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7417    4.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0917    3.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708    3.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5625    3.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7417    3.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9125    3.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 10  1  0  0  0  0
  3  5  1  0  0  0  0
  4  1  1  0  0  0  0
  5  6  1  0  0  0  0
  6  4  1  0  0  0  0
  7  4  1  0  0  0  0
  8  1  1  0  0  0  0
  9  1  1  0  0  0  0
 10  9  1  0  0  0  0
 11  8  1  0  0  0  0
 12  2  1  0  0  0  0
 13  3  2  0  0  0  0
 14 16  2  0  0  0  0
 15  3  1  0  0  0  0
 16  7  1  0  0  0  0
 17  7  2  0  0  0  0
 18 23  2  0  0  0  0
 19 12  1  0  0  0  0
 20 12  2  0  0  0  0
 21 15  1  0  0  0  0
 22 15  1  0  0  0  0
 23 17  1  0  0  0  0
 24 20  1  0  0  0  0
 25 19  2  0  0  0  0
 26 22  1  0  0  0  0
 27 21  1  0  0  0  0
 28 24  2  0  0  0  0
 29 26  1  0  0  0  0
  2 11  1  0  0  0  0
 18 14  1  0  0  0  0
 28 25  1  0  0  0  0
 27 29  1  0  0  0  0
M  END
>  <Mol_ID> (2,081)
2081

>  <Formula> (2,081)
C24H32N4O

>  <MolWeight> (2,081)
392.53708

>  <COMPOUND_NAME> (2,081)
WAY-334215

>  <BAR_CODE_NO> (2,081)
309216

$$$$
WAY-334402
csChFnd80/06171916322D

 30 34  0  0  0  0  0  0  0  0999 V2000
   -1.6125    1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6125    2.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3333    1.2125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0375    2.4583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0458    1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3458    2.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3250    2.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8333    1.3708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8333    2.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792    2.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8875    2.7458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7167    4.1667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    2.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3208    3.6875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4583    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8875    1.3208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4583    1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7042    2.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4750    3.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8875    4.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292    3.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292    4.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7458    0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9542    4.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7167    5.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292    6.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3667    5.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9667    6.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5  3  2  0  0  0  0
  6  8  1  0  0  0  0
  7  2  1  0  0  0  0
  8  1  1  0  0  0  0
  9  2  1  0  0  0  0
 10  6  1  0  0  0  0
 11 10  1  0  0  0  0
 12 21  1  0  0  0  0
 13  5  1  0  0  0  0
 14  4  1  0  0  0  0
 15  7  2  0  0  0  0
 16 18  1  0  0  0  0
 17 10  2  0  0  0  0
 18 13  2  0  0  0  0
 19 11  1  0  0  0  0
 20 11  1  0  0  0  0
 21 20  1  0  0  0  0
 22 19  1  0  0  0  0
 23 12  1  0  0  0  0
 24  8  1  0  0  0  0
 25 13  1  0  0  0  0
 26 23  2  0  0  0  0
 27 23  1  0  0  0  0
 28 27  2  0  0  0  0
 29 26  1  0  0  0  0
 30 28  1  0  0  0  0
  9  6  2  0  0  0  0
  4  7  1  0  0  0  0
 14 16  2  0  0  0  0
 12 22  1  0  0  0  0
 29 30  2  0  0  0  0
M  END
>  <Mol_ID> (2,082)
2082

>  <Formula> (2,082)
C23H23N5O2

>  <MolWeight> (2,082)
401.46102

>  <COMPOUND_NAME> (2,082)
WAY-334402

>  <BAR_CODE_NO> (2,082)
309403

$$$$
WAY-334518
csChFnd80/06171916322D

 22 25  0  0  0  0  0  0  0  0999 V2000
   -1.8875    2.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1458    3.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833    2.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333    2.8458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5583    1.9208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958    3.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9708    3.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7875    3.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2250    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792    2.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    1.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292    3.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6292    3.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5208    3.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917    3.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0333    2.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1250    4.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5750    4.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9292    4.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9917    3.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3333    3.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    2.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  2  1  0  0  0  0
  8  4  1  0  0  0  0
  9  5  1  0  0  0  0
 10  4  1  0  0  0  0
 11  3  2  0  0  0  0
 12 10  1  0  0  0  0
 13 12  2  0  0  0  0
 14  7  1  0  0  0  0
 15 13  1  0  0  0  0
 16  9  1  0  0  0  0
 17 18  2  0  0  0  0
 18 12  1  0  0  0  0
 19 17  1  0  0  0  0
 20 15  1  0  0  0  0
 21 14  2  0  0  0  0
 22 16  2  0  0  0  0
  7  9  2  0  0  0  0
  6  8  2  0  0  0  0
 22 21  1  0  0  0  0
 15 19  2  0  0  0  0
M  END
>  <Mol_ID> (2,083)
2083

>  <Formula> (2,083)
C18H14N2O2

>  <MolWeight> (2,083)
290.31596

>  <COMPOUND_NAME> (2,083)
WAY-334518

>  <BAR_CODE_NO> (2,083)
309519

$$$$
WAY-334519
csChFnd80/06171916322D

 22 25  0  0  0  0  0  0  0  0999 V2000
   -1.8875    2.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1458    3.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833    2.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333    2.8458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5583    1.9208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958    3.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9708    3.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7875    3.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2250    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792    2.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292    3.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    1.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6375    3.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8917    2.3333    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.5208    3.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0333    2.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792    4.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917    3.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3333    3.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1375    4.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    2.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9417    4.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  2  1  0  0  0  0
  8  4  1  0  0  0  0
  9  5  1  0  0  0  0
 10  4  1  0  0  0  0
 11 10  1  0  0  0  0
 12  3  2  0  0  0  0
 13 11  2  0  0  0  0
 14 13  1  0  0  0  0
 15  7  1  0  0  0  0
 16  9  1  0  0  0  0
 17 11  1  0  0  0  0
 18 13  1  0  0  0  0
 19 15  2  0  0  0  0
 20 17  2  0  0  0  0
 21 16  2  0  0  0  0
 22 20  1  0  0  0  0
  7  9  2  0  0  0  0
  6  8  2  0  0  0  0
 21 19  1  0  0  0  0
 22 18  2  0  0  0  0
M  END
>  <Mol_ID> (2,084)
2084

>  <Formula> (2,084)
C17H11ClN2O2

>  <MolWeight> (2,084)
310.73444

>  <COMPOUND_NAME> (2,084)
WAY-334519

>  <BAR_CODE_NO> (2,084)
309520

$$$$
WAY-334579
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
    7.6000  -10.7167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.9042   -9.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8000  -10.0250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6000   -8.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8292   -5.9167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2000   -8.6417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4000   -7.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5167   -7.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9042   -7.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5167   -9.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5167   -4.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6000   -5.9167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4000  -11.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2917  -11.9167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8292   -8.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8000   -8.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0000  -10.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2000  -10.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0000   -7.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4000   -6.5625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8292   -3.5167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9042   -4.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6000   -8.6417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8292  -10.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8000   -7.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  8  1  0  0  0  0
  6 18  1  0  0  0  0
  7  6  1  0  0  0  0
  8 15  2  0  0  0  0
  9  4  2  0  0  0  0
 10  2  2  0  0  0  0
 11  5  1  0  0  0  0
 12  9  1  0  0  0  0
 13  1  2  0  0  0  0
 14  1  2  0  0  0  0
 15 10  1  0  0  0  0
 16  3  1  0  0  0  0
 17  3  1  0  0  0  0
 18 17  1  0  0  0  0
 19 16  1  0  0  0  0
 20  7  2  0  0  0  0
 21 11  2  0  0  0  0
 22 12  1  0  0  0  0
 23  7  1  0  0  0  0
 24 10  1  0  0  0  0
 25 23  1  0  0  0  0
 26 25  1  0  0  0  0
  6 19  1  0  0  0  0
  8  9  1  0  0  0  0
 11 22  1  0  0  0  0
M  END
>  <Mol_ID> (2,085)
2085

>  <Formula> (2,085)
C16H21N3O6S

>  <MolWeight> (2,085)
383.41944

>  <COMPOUND_NAME> (2,085)
WAY-334579

>  <BAR_CODE_NO> (2,085)
309580

$$$$
WAY-334598
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
    0.0500    0.3083    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292   -0.2792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4250   -0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6417    0.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5250    0.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333   -0.2667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292    0.8833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4375    0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6542    1.7083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000    1.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7917   -0.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1667   -1.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6708    2.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3625   -2.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8750    2.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3792   -1.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8958    1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7542   -2.3792    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.2458    2.6458    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4500    1.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0167    0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0292    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8042    0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  2  0  0  0  0
  7  1  2  0  0  0  0
  8  3  1  0  0  0  0
  9  4  1  0  0  0  0
 10  9  1  0  0  0  0
 11  5  1  0  0  0  0
 12  5  2  0  0  0  0
 13  8  2  0  0  0  0
 14  8  1  0  0  0  0
 15 19  1  0  0  0  0
 16 18  2  0  0  0  0
 17 13  1  0  0  0  0
 18 12  1  0  0  0  0
 19 14  2  0  0  0  0
 20 11  2  0  0  0  0
 21 15  1  0  0  0  0
 22 16  1  0  0  0  0
 23 10  2  0  0  0  0
 24  9  2  0  0  0  0
 25 26  2  0  0  0  0
 26 24  1  0  0  0  0
 20 16  1  0  0  0  0
 17 15  2  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (2,086)
2086

>  <Formula> (2,086)
C18H13Cl2N3O2S

>  <MolWeight> (2,086)
406.28572

>  <COMPOUND_NAME> (2,086)
WAY-334598

>  <BAR_CODE_NO> (2,086)
309599

$$$$
WAY-334609
csChFnd80/06171916322D

 33 36  0  0  0  0  0  0  0  0999 V2000
    1.7917    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042    0.4583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7917   -0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042   -1.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2292   -0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2292    0.0458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792    0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3750   -1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792   -1.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0875   -0.7792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9417   -1.2042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0792    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7917    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3667   -2.0250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667   -0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792   -2.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6625   -0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3458   -2.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3458    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7917    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3458    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3458   -1.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667    1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667   -2.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0625   -2.4250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0583    1.6958    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.5042    1.6958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3542    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3667    0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0750    1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000    2.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  2  2  0  0  0  0
  7  1  1  0  0  0  0
  8 19  1  0  0  0  0
  9  3  1  0  0  0  0
 10  8  1  0  0  0  0
 11  5  1  0  0  0  0
 12 10  1  0  0  0  0
 13 12  2  0  0  0  0
 14  8  2  0  0  0  0
 15  7  2  0  0  0  0
 16  7  1  0  0  0  0
 17  9  2  0  0  0  0
 18  9  1  0  0  0  0
 19 11  1  0  0  0  0
 20 26  1  0  0  0  0
 21 23  1  0  0  0  0
 22 13  1  0  0  0  0
 23 16  2  0  0  0  0
 24 17  1  0  0  0  0
 25 15  1  0  0  0  0
 26 18  2  0  0  0  0
 27 20  1  0  0  0  0
 28 21  1  0  0  0  0
 29 22  1  0  0  0  0
 30 31  2  0  0  0  0
 31 12  1  0  0  0  0
 32 30  1  0  0  0  0
 33 29  1  0  0  0  0
  6  5  1  0  0  0  0
 25 21  2  0  0  0  0
 24 20  2  0  0  0  0
 22 32  2  0  0  0  0
M  END
>  <Mol_ID> (2,087)
2087

>  <Formula> (2,087)
C24H18F2N4O2S

>  <MolWeight> (2,087)
464.4871264

>  <COMPOUND_NAME> (2,087)
WAY-334609

>  <BAR_CODE_NO> (2,087)
309610

$$$$
WAY-334614
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -2.4416   -0.0726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4416   -1.5243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1933    0.6619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7071    0.6688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1933   -2.2485    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7071   -2.2554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0722   -0.0726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9657   -0.0726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0722   -1.5243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9657   -1.5243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3274    0.6515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2243    0.6515    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.3274   -2.2485    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5791   -0.0726    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3274    2.0964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8343    0.6515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2067    0.2101    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8343    2.0964    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0515    1.3791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2067    2.5481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  2  0  0  0  0
 11 14  1  0  0  0  0
 11 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (2,088)
2088

>  <Formula> (2,088)
C13H7ClN2O3S

>  <MolWeight> (2,088)
306.72428

>  <COMPOUND_NAME> (2,088)
WAY-334614

>  <BAR_CODE_NO> (2,088)
309615

$$$$
WAY-334616
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    5.9292   -3.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9375   -4.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6417   -3.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2125   -4.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2042   -3.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3625   -3.5917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0750   -3.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000   -4.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4917   -3.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8250   -3.5167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1500   -2.3625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.6500   -4.8417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6417   -2.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3750   -2.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7750   -4.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9625   -2.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7667   -5.6667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7750   -3.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0625   -3.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0625   -4.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4792   -6.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4792   -6.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  2  0  0  0  0
  6  3  1  0  0  0  0
  7  6  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
 10  7  2  0  0  0  0
 11  7  1  0  0  0  0
 12  2  2  0  0  0  0
 13  3  2  0  0  0  0
 14 10  1  0  0  0  0
 15  8  2  0  0  0  0
 16 11  1  0  0  0  0
 17 15  1  0  0  0  0
 18  9  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 17  1  0  0  0  0
 22 21  1  0  0  0  0
  4  8  1  0  0  0  0
 20 15  1  0  0  0  0
 14 16  2  0  0  0  0
M  END
>  <Mol_ID> (2,089)
2089

>  <Formula> (2,089)
C15H12N2O4S

>  <MolWeight> (2,089)
316.33178

>  <COMPOUND_NAME> (2,089)
WAY-334616

>  <BAR_CODE_NO> (2,089)
309617

$$$$
WAY-334620
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
    3.8625   -3.5750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8625   -4.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1417   -3.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4292   -3.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1417   -4.8125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4292   -4.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3000   -1.0917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3000    0.5583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3000   -1.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792   -3.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5875   -2.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3000    1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792   -4.8167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1417   -2.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0167   -0.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5875   -0.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0167    0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5875    0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0167   -2.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0125    1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7167   -3.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7292    1.3833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7167   -4.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0125    2.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7292    0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042   -3.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042   -4.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    2.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3000    3.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  9  1  0  0  0  0
  8 18  1  0  0  0  0
  9 11  1  0  0  0  0
 10  1  1  0  0  0  0
 11 10  1  0  0  0  0
 12  8  1  0  0  0  0
 13  2  2  0  0  0  0
 14  3  2  0  0  0  0
 15  7  1  0  0  0  0
 16  7  1  0  0  0  0
 17 15  1  0  0  0  0
 18 16  1  0  0  0  0
 19  9  2  0  0  0  0
 20 12  2  0  0  0  0
 21  4  2  0  0  0  0
 22 20  1  0  0  0  0
 23  6  2  0  0  0  0
 24 12  1  0  0  0  0
 25 20  1  0  0  0  0
 26 22  1  0  0  0  0
 27 21  1  0  0  0  0
 28 27  2  0  0  0  0
 29 24  2  0  0  0  0
 30 29  1  0  0  0  0
  6  5  1  0  0  0  0
 23 28  1  0  0  0  0
  8 17  1  0  0  0  0
 30 25  2  0  0  0  0
M  END
>  <Mol_ID> (2,090)
2090

>  <Formula> (2,090)
C22H24N4O4

>  <MolWeight> (2,090)
408.45036

>  <COMPOUND_NAME> (2,090)
WAY-334620

>  <BAR_CODE_NO> (2,090)
309621

$$$$
WAY-334633
csChFnd80/06171916322D

 32 35  0  0  0  0  0  0  0  0999 V2000
    3.2542   -7.4500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2542   -8.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5417   -7.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8292   -7.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5417   -8.6875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8292   -8.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4000   -2.0750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4042   -3.7292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3917   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4042   -4.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9792   -8.6917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5417   -6.2125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6792   -0.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6792   -2.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1167   -2.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6792   -3.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1167   -3.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1042   -0.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1292   -4.9667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9792   -7.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6750   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1042   -0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167   -7.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3917    0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167   -8.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6917   -4.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9625   -1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8250    0.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9792   -6.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6917   -5.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3917   -7.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3917   -8.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7 15  1  0  0  0  0
  8 10  1  0  0  0  0
  9  7  1  0  0  0  0
 10 26  1  0  0  0  0
 11  2  2  0  0  0  0
 12  3  2  0  0  0  0
 13  9  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16  8  1  0  0  0  0
 17  8  1  0  0  0  0
 18  9  1  0  0  0  0
 19 10  2  0  0  0  0
 20  1  1  0  0  0  0
 21 13  1  0  0  0  0
 22 18  2  0  0  0  0
 23  4  2  0  0  0  0
 24 22  1  0  0  0  0
 25  6  2  0  0  0  0
 26 30  1  0  0  0  0
 27 13  1  0  0  0  0
 28 22  1  0  0  0  0
 29 20  1  0  0  0  0
 30 29  1  0  0  0  0
 31 23  1  0  0  0  0
 32 31  2  0  0  0  0
  5  6  1  0  0  0  0
 32 25  1  0  0  0  0
 14  7  1  0  0  0  0
 24 21  2  0  0  0  0
M  END
>  <Mol_ID> (2,091)
2091

>  <Formula> (2,091)
C25H30N4O3

>  <MolWeight> (2,091)
434.5307

>  <COMPOUND_NAME> (2,091)
WAY-334633

>  <BAR_CODE_NO> (2,091)
309634

$$$$
WAY-334671
csChFnd80/06171916322D

 23 26  0  0  0  0  0  0  0  0999 V2000
    4.8750   -3.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5917   -3.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3167   -3.8167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8750   -4.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1542   -3.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9375   -3.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1542   -5.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5917   -2.5042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.7667   -2.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4375   -3.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4375   -4.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7417   -3.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000   -5.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9667   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3125   -2.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3417   -3.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1042   -3.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7667   -4.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1417   -4.0542    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7167   -3.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7167   -5.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042   -3.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042   -4.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  2  0  0  0  0
  6  3  2  0  0  0  0
  7  4  1  0  0  0  0
  8  9  1  0  0  0  0
  9  2  2  0  0  0  0
 10  5  1  0  0  0  0
 11 10  1  0  0  0  0
 12  6  1  0  0  0  0
 13  4  2  0  0  0  0
 14 12  2  0  0  0  0
 15 12  1  0  0  0  0
 16 17  1  0  0  0  0
 17 15  2  0  0  0  0
 18 14  1  0  0  0  0
 19 16  1  0  0  0  0
 20 10  2  0  0  0  0
 21 11  2  0  0  0  0
 22 20  1  0  0  0  0
 23 22  2  0  0  0  0
  7 11  1  0  0  0  0
  8  6  1  0  0  0  0
 23 21  1  0  0  0  0
 18 16  2  0  0  0  0
M  END
>  <Mol_ID> (2,092)
2092

>  <Formula> (2,092)
C18H10ClNO2S

>  <MolWeight> (2,092)
339.7955

>  <COMPOUND_NAME> (2,092)
WAY-334671

>  <BAR_CODE_NO> (2,092)
309672

$$$$
WAY-334678
csChFnd80/06171916322D

 24 27  0  0  0  0  0  0  0  0999 V2000
    5.2625   -3.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8750   -3.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5417   -3.7917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2542   -2.5417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6750   -3.7542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.5417   -4.6917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7167   -4.6042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5375   -2.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8250   -2.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8292   -3.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4667   -3.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4750   -2.9542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8667   -4.5542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5292   -1.3042    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.6667   -2.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0500   -4.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0500   -3.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1125   -2.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4625   -2.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8417   -3.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8417   -2.8917    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.1125   -3.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -2.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -3.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  2  0  0  0  0
  9  8  1  0  0  0  0
 10  3  1  0  0  0  0
 11  5  1  0  0  0  0
 12  5  2  0  0  0  0
 13  5  2  0  0  0  0
 14  8  1  0  0  0  0
 15 11  1  0  0  0  0
 16 11  2  0  0  0  0
 17 20  2  0  0  0  0
 18  9  2  0  0  0  0
 19 15  2  0  0  0  0
 20 16  1  0  0  0  0
 21 17  1  0  0  0  0
 22 10  2  0  0  0  0
 23 18  1  0  0  0  0
 24 22  1  0  0  0  0
 10  9  1  0  0  0  0
  7  6  2  0  0  0  0
 23 24  2  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (2,093)
2093

>  <Formula> (2,093)
C15H8Cl2N4O2S

>  <MolWeight> (2,093)
379.22062

>  <COMPOUND_NAME> (2,093)
WAY-334678

>  <BAR_CODE_NO> (2,093)
309679

$$$$
WAY-334680
csChFnd80/06171916322D

 23 26  0  0  0  0  0  0  0  0999 V2000
    3.8167    1.1625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1542    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9042    0.3375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4917    1.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4042    2.4333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2292    2.4333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6667    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2417    1.3083    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542    1.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7542   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6042   -1.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5125   -1.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3292    0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9375   -2.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3542    0.4250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0792   -1.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1750   -2.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3667   -2.3042    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1417    0.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0292   -3.2917    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.7667    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792    1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  2  0  0  0  0
  6  4  2  0  0  0  0
  7  3  2  0  0  0  0
  8  4  1  0  0  0  0
  9  2  1  0  0  0  0
 10  7  1  0  0  0  0
 11 12  2  0  0  0  0
 12 10  1  0  0  0  0
 13  8  1  0  0  0  0
 14 17  2  0  0  0  0
 15 19  2  0  0  0  0
 16 10  2  0  0  0  0
 17 16  1  0  0  0  0
 18 11  1  0  0  0  0
 19  9  1  0  0  0  0
 20 14  1  0  0  0  0
 21  9  2  0  0  0  0
 22 23  2  0  0  0  0
 23 21  1  0  0  0  0
  5  6  1  0  0  0  0
 13  7  1  0  0  0  0
 15 22  1  0  0  0  0
 11 14  1  0  0  0  0
M  END
>  <Mol_ID> (2,094)
2094

>  <Formula> (2,094)
C15H9Cl2N5S

>  <MolWeight> (2,094)
362.23646

>  <COMPOUND_NAME> (2,094)
WAY-334680

>  <BAR_CODE_NO> (2,094)
309681

$$$$
WAY-334681-A
csChFnd80/06171916322D

 24 27  0  0  0  0  0  0  0  0999 V2000
    7.3500   -4.1792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1292   -3.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6375   -3.7667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3500   -5.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6167   -4.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1292   -5.2625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9167   -4.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6375   -5.4167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4250   -3.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9167   -5.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2042   -3.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1875   -1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2042   -2.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4917   -4.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9000   -2.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7750   -2.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7750   -3.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4917   -2.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2417   -3.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0500   -2.5250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0042   -1.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3292   -2.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5292   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6125   -2.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  2  0  0  0  0
  6  4  2  0  0  0  0
  7  3  2  0  0  0  0
  8  4  1  0  0  0  0
  9  2  1  0  0  0  0
 10  8  1  0  0  0  0
 11  7  1  0  0  0  0
 12 15  2  0  0  0  0
 13 11  2  0  0  0  0
 14 11  1  0  0  0  0
 15  9  1  0  0  0  0
 16 17  1  0  0  0  0
 17 14  2  0  0  0  0
 18 13  1  0  0  0  0
 19  9  2  0  0  0  0
 20 16  1  0  0  0  0
 21 23  2  0  0  0  0
 22 20  1  0  0  0  0
 23 19  1  0  0  0  0
 24 22  1  0  0  0  0
  6  5  1  0  0  0  0
  7 10  1  0  0  0  0
 16 18  2  0  0  0  0
 21 12  1  0  0  0  0
M  END
>  <Mol_ID> (2,095)
2095

>  <Formula> (2,095)
C17H15N5OS

>  <MolWeight> (2,095)
337.3989

>  <COMPOUND_NAME> (2,095)
WAY-334681-A

>  <BAR_CODE_NO> (2,095)
309682

$$$$
WAY-334693-A
csChFnd80/06171916322D

 23 26  0  0  0  0  0  0  0  0999 V2000
    4.7917   -4.5625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0042   -4.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5042   -4.9750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7917   -3.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5250   -4.1417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2167   -4.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0042   -3.4792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9292   -4.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6792   -4.6125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.5042   -3.3250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.2500   -5.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8292   -5.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0542   -5.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8667   -5.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2167   -3.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0500   -5.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0750   -5.1125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.8750   -6.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4417   -6.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0875   -6.9292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2667   -6.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4792   -7.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9042   -7.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  2  0  0  0  0
  6  3  2  0  0  0  0
  7  4  2  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  4  1  0  0  0  0
 11  9  1  0  0  0  0
 12  2  1  0  0  0  0
 13  8  2  0  0  0  0
 14 13  1  0  0  0  0
 15 10  1  0  0  0  0
 16 12  2  0  0  0  0
 17 11  1  0  0  0  0
 18 16  1  0  0  0  0
 19 12  1  0  0  0  0
 20 18  1  0  0  0  0
 21 19  2  0  0  0  0
 22 21  1  0  0  0  0
 23 20  1  0  0  0  0
  5  7  1  0  0  0  0
 15  6  1  0  0  0  0
 14 11  2  0  0  0  0
 22 18  2  0  0  0  0
M  END
>  <Mol_ID> (2,096)
2096

>  <Formula> (2,096)
C15H11BrN4OS2

>  <MolWeight> (2,096)
407.30804

>  <COMPOUND_NAME> (2,096)
WAY-334693-A

>  <BAR_CODE_NO> (2,096)
309694

$$$$
WAY-334719
csChFnd80/06171916322D

 32 36  0  0  0  0  0  0  0  0999 V2000
    4.7167   -2.9042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0042   -2.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7167   -3.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1750   -1.6792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0042   -4.1417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2917   -2.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3292   -2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2917   -3.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   -1.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5875   -5.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4375   -4.1417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.8667   -4.9625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1542   -5.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5875   -6.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2917   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1625   -6.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4375   -4.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0167   -5.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3042   -6.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5792   -2.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0250   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2875   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1500   -2.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3042   -7.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5792   -4.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4792   -0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9917   -3.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0125   -7.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8667   -2.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6375   -1.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8667   -3.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000   -1.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  2  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  5  1  0  0  0  0
  9  7  2  0  0  0  0
 10 12  1  0  0  0  0
 11  3  1  0  0  0  0
 12 13  1  0  0  0  0
 13 17  1  0  0  0  0
 14 10  2  0  0  0  0
 15 10  1  0  0  0  0
 16 13  2  0  0  0  0
 17 11  1  0  0  0  0
 18 15  2  0  0  0  0
 19 14  1  0  0  0  0
 20  6  2  0  0  0  0
 21 18  1  0  0  0  0
 22 15  1  0  0  0  0
 23  7  1  0  0  0  0
 24 19  1  0  0  0  0
 25  8  2  0  0  0  0
 26  9  1  0  0  0  0
 27 22  1  0  0  0  0
 28 24  1  0  0  0  0
 29 20  1  0  0  0  0
 30 23  2  0  0  0  0
 31 25  1  0  0  0  0
 32 30  1  0  0  0  0
  4  9  1  0  0  0  0
  6  8  1  0  0  0  0
 26 32  2  0  0  0  0
 29 31  2  0  0  0  0
 19 21  2  0  0  0  0
M  END
>  <Mol_ID> (2,097)
2097

>  <Formula> (2,097)
C24H20N4O3S

>  <MolWeight> (2,097)
444.5056

>  <COMPOUND_NAME> (2,097)
WAY-334719

>  <BAR_CODE_NO> (2,097)
309720

$$$$
WAY-334961
csChFnd80/06171916322D

 35 39  0  0  0  0  0  0  0  0999 V2000
   -0.4708    1.9375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1875    1.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208    1.5625    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.7625    1.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292    1.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7625    2.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4083    1.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4708    2.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292    1.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0583    1.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792    1.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4083    3.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208    0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0583    2.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292    2.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8417    1.7083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1875    0.8083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8417    2.9125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208    3.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2875    2.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292    2.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4708    0.4375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792    3.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4708   -0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4708   -1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7125    1.5583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7125    3.0708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208   -0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1792   -0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208   -1.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1792   -1.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4708   -2.5625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3625    1.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3625    2.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1750   -2.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6 19  1  0  0  0  0
  7  4  1  0  0  0  0
  8  1  1  0  0  0  0
  9 11  2  0  0  0  0
 10  7  2  0  0  0  0
 11  5  1  0  0  0  0
 12  6  1  0  0  0  0
 13  3  1  0  0  0  0
 14 12  2  0  0  0  0
 15 23  2  0  0  0  0
 16  9  1  0  0  0  0
 17  2  2  0  0  0  0
 18 15  1  0  0  0  0
 19  8  1  0  0  0  0
 20 16  1  0  0  0  0
 21  5  2  0  0  0  0
 22 13  1  0  0  0  0
 23 21  1  0  0  0  0
 24 22  1  0  0  0  0
 25 31  1  0  0  0  0
 26 10  1  0  0  0  0
 27 14  1  0  0  0  0
 28 24  2  0  0  0  0
 29 24  1  0  0  0  0
 30 28  1  0  0  0  0
 31 29  2  0  0  0  0
 32 25  1  0  0  0  0
 33 26  1  0  0  0  0
 34 27  1  0  0  0  0
 35 32  1  0  0  0  0
  6  4  2  0  0  0  0
 14 10  1  0  0  0  0
  9 15  1  0  0  0  0
 30 25  2  0  0  0  0
 20 18  1  0  0  0  0
M  END
>  <Mol_ID> (2,098)
2098

>  <Formula> (2,098)
C27H27NO7

>  <MolWeight> (2,098)
477.50578

>  <COMPOUND_NAME> (2,098)
WAY-334961

>  <BAR_CODE_NO> (2,098)
309962

$$$$
WAY-334982
csChFnd80/06171916322D

 29 33  0  0  0  0  0  0  0  0999 V2000
   -0.4958    1.2125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2500    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958    0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2500   -0.1292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0125    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0125    0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2875   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2875    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5667   -1.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2500    2.5333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2875   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5667   -2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3792   -1.1542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4042   -2.5875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9167   -1.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0500   -1.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0500    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2875    2.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042   -2.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7708    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0500   -2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0500    2.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042    2.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7708   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5667    2.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5333    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5333    0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  3  1  0  0  0  0
  8  1  1  0  0  0  0
  9 16  2  0  0  0  0
 10  2  2  0  0  0  0
 11  7  2  0  0  0  0
 12 20  2  0  0  0  0
 13  9  1  0  0  0  0
 14 12  1  0  0  0  0
 15 13  1  0  0  0  0
 16 17  1  0  0  0  0
 17 11  1  0  0  0  0
 18  8  2  0  0  0  0
 19  8  1  0  0  0  0
 20 22  1  0  0  0  0
 21  5  1  0  0  0  0
 22 17  2  0  0  0  0
 23 18  1  0  0  0  0
 24 19  2  0  0  0  0
 25 24  1  0  0  0  0
 26  6  1  0  0  0  0
 27 25  1  0  0  0  0
 28 21  2  0  0  0  0
 29 26  2  0  0  0  0
  6  5  2  0  0  0  0
 25 23  2  0  0  0  0
 29 28  1  0  0  0  0
 12  9  1  0  0  0  0
 15 14  1  0  0  0  0
M  END
>  <Mol_ID> (2,099)
2099

>  <Formula> (2,099)
C24H18N2O3

>  <MolWeight> (2,099)
382.41132

>  <COMPOUND_NAME> (2,099)
WAY-334982

>  <BAR_CODE_NO> (2,099)
309983

$$$$
WAY-334994
csChFnd80/06171916322D

 35 39  0  0  0  0  0  0  0  0999 V2000
   -3.1458    3.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5000    3.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7958    4.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7958    3.7708    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.1458    4.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5000    4.5125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9875    2.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2458    2.5833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9458    3.2583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0542    2.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0417    3.3958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4583    4.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1083    5.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4042    2.2708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4458    3.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4708    2.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7000    2.2708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1458    5.6375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0417    4.8917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4458    2.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0958    3.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2083    1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2083    2.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7458    2.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4083    0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7458    3.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0958    2.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6833    0.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6750    1.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4000    3.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6917    3.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8833    0.3333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6917    4.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4000    4.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6208    0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  2  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  2  0  0  0  0
  9  2  1  0  0  0  0
 10 14  1  0  0  0  0
 11 10  1  0  0  0  0
 12  3  1  0  0  0  0
 13 12  3  0  0  0  0
 14 24  1  0  0  0  0
 15  4  1  0  0  0  0
 16  7  1  0  0  0  0
 17 10  2  0  0  0  0
 18  5  1  0  0  0  0
 19 33  1  0  0  0  0
 20 15  2  0  0  0  0
 21 15  1  0  0  0  0
 22 16  1  0  0  0  0
 23 16  2  0  0  0  0
 24 26  1  0  0  0  0
 25 29  2  0  0  0  0
 26 21  2  0  0  0  0
 27 20  1  0  0  0  0
 28 22  2  0  0  0  0
 29 23  1  0  0  0  0
 30 11  1  0  0  0  0
 31 11  1  0  0  0  0
 32 25  1  0  0  0  0
 33 31  1  0  0  0  0
 34 30  1  0  0  0  0
 35 32  1  0  0  0  0
  9  8  1  0  0  0  0
  5  6  1  0  0  0  0
 28 25  1  0  0  0  0
 27 24  2  0  0  0  0
 19 34  1  0  0  0  0
M  END
>  <Mol_ID> (2,100)
2100

>  <Formula> (2,100)
C25H23N5O5

>  <MolWeight> (2,100)
473.48062

>  <COMPOUND_NAME> (2,100)
WAY-334994

>  <BAR_CODE_NO> (2,100)
309995

$$$$
WAY-335038
csChFnd80/06171916322D

 15 16  0  0  0  0  0  0  0  0999 V2000
    2.3292   -3.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5792   -3.1375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1500   -3.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667   -3.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8792   -2.8542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5417   -4.2542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5708   -3.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1500   -2.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2833   -3.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5708   -1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6625   -2.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4667   -2.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2833   -2.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5708   -4.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5708   -1.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  2  0  0  0  0
  7  3  2  0  0  0  0
  8  3  1  0  0  0  0
  9  7  1  0  0  0  0
 10  8  2  0  0  0  0
 11  2  1  0  0  0  0
 12  5  1  0  0  0  0
 13 10  1  0  0  0  0
 14  7  1  0  0  0  0
 15 10  1  0  0  0  0
 11 12  1  0  0  0  0
  9 13  2  0  0  0  0
M  END
>  <Mol_ID> (2,101)
2101

>  <Formula> (2,101)
C12H16N2O

>  <MolWeight> (2,101)
204.26824

>  <COMPOUND_NAME> (2,101)
WAY-335038

>  <BAR_CODE_NO> (2,101)
310039

$$$$
WAY-335039
csChFnd80/06171916322D

 18 19  0  0  0  0  0  0  0  0999 V2000
    3.7775    2.9897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1464    2.6991    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    4.3823    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7146    1.4206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4150    5.0796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1072    1.2721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8480    3.9173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9075    4.9527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7830    2.0082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9337    2.4128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4150    6.4808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2075    7.1782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6776    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2075    8.5859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    8.5859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    7.1782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4150    9.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.2768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  7  2  1  0  0  0  0
  8  3  1  0  0  0  0
  9  1  2  0  0  0  0
 10  6  2  0  0  0  0
 11  5  1  0  0  0  0
 12 11  1  0  0  0  0
 13  6  1  0  0  0  0
 14 12  2  0  0  0  0
 15 16  1  0  0  0  0
 16 11  2  0  0  0  0
 17 15  2  0  0  0  0
 18 14  1  0  0  0  0
  7  8  1  0  0  0  0
 14 17  1  0  0  0  0
M  END
>  <Mol_ID> (2,102)
2102

>  <Formula> (2,102)
C13H16N2O3

>  <MolWeight> (2,102)
248.27774

>  <COMPOUND_NAME> (2,102)
WAY-335039

>  <BAR_CODE_NO> (2,102)
310040

$$$$
WAY-335051
csChFnd80/06171916322D

 14 15  0  0  0  0  0  0  0  0999 V2000
    4.3750   -1.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6167   -1.7542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9250   -2.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9042   -1.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5875   -0.6125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1875   -1.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -2.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7042   -2.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5125   -2.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292   -3.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.1875   -2.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4667   -1.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4667   -3.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  2  0  0  0  0
  6  4  1  0  0  0  0
  7 14  2  0  0  0  0
  8  2  1  0  0  0  0
  9  3  1  0  0  0  0
 10  7  1  0  0  0  0
 11  6  1  0  0  0  0
 12  6  2  0  0  0  0
 13 11  2  0  0  0  0
 14 12  1  0  0  0  0
  8  9  1  0  0  0  0
 13  7  1  0  0  0  0
M  END
>  <Mol_ID> (2,103)
2103

>  <Formula> (2,103)
C10H11FN2O

>  <MolWeight> (2,103)
194.2055432

>  <COMPOUND_NAME> (2,103)
WAY-335051

>  <BAR_CODE_NO> (2,103)
310052

$$$$
WAY-335057
csChFnd80/06171916322D

 14 15  0  0  0  0  0  0  0  0999 V2000
    7.3435    2.6994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0763    2.1240    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2791    1.6777    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8646    2.8248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7038    4.0598    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6547    2.1097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2260    0.7044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2250    0.7439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5819    0.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0072    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6547    0.7044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4359    2.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4359    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2260    2.1097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  2  0  0  0  0
  6  4  1  0  0  0  0
  7 14  2  0  0  0  0
  8  2  1  0  0  0  0
  9  3  1  0  0  0  0
 10  7  1  0  0  0  0
 11  6  1  0  0  0  0
 12  6  2  0  0  0  0
 13 11  2  0  0  0  0
 14 12  1  0  0  0  0
  8  9  1  0  0  0  0
 13  7  1  0  0  0  0
M  END
>  <Mol_ID> (2,104)
2104

>  <Formula> (2,104)
C10H11ClN2O

>  <MolWeight> (2,104)
210.66014

>  <COMPOUND_NAME> (2,104)
WAY-335057

>  <BAR_CODE_NO> (2,104)
310058

$$$$
WAY-335072
csChFnd80/06171916322D

 29 31  0  0  0  0  0  0  0  0999 V2000
    1.0542   -0.5125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.6250   -0.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3417   -0.0875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1917   -0.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9042   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6250   -1.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9042   -2.1667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1917   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667   -0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4792   -0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3417   -0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6167   -1.2250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4750    0.1833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3833   -0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4792   -2.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9042    0.3208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667   -1.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3417    0.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958   -0.0542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.3500    1.1750    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.0833    0.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0542   -0.9292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9042   -2.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8208   -0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7667   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6167   -3.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4792   -0.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  1  1  0  0  0  0
  4 10  2  0  0  0  0
  5  4  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 16  2  0  0  0  0
  9  1  1  0  0  0  0
 10  9  1  0  0  0  0
 11  2  1  0  0  0  0
 12  1  2  0  0  0  0
 13  1  2  0  0  0  0
 14  3  1  0  0  0  0
 15  3  1  0  0  0  0
 16 18  1  0  0  0  0
 17  5  2  0  0  0  0
 18  9  2  0  0  0  0
 19 11  2  0  0  0  0
 20 14  1  0  0  0  0
 21 15  1  0  0  0  0
 22 21  1  0  0  0  0
 23 11  1  0  0  0  0
 24  7  1  0  0  0  0
 25 21  1  0  0  0  0
 26 20  1  0  0  0  0
 27 23  1  0  0  0  0
 28 24  1  0  0  0  0
 29 27  1  0  0  0  0
  4  8  1  0  0  0  0
 20 22  1  0  0  0  0
  6  2  2  0  0  0  0
M  END
>  <Mol_ID> (2,105)
2105

>  <Formula> (2,105)
C21H28N2O5S

>  <MolWeight> (2,105)
420.52242

>  <COMPOUND_NAME> (2,105)
WAY-335072

>  <BAR_CODE_NO> (2,105)
310073

$$$$
WAY-335084
csChFnd80/06171916322D

 19 20  0  0  0  0  0  0  0  0999 V2000
    0.3417   -2.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4750   -2.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0375   -0.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7875   -1.5917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9625   -1.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667   -2.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8250   -0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3750   -0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7083   -0.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3417   -3.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3417   -1.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4375   -1.1042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5875   -2.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    0.2583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5667   -1.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1792   -3.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4125   -2.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3917   -1.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8167   -2.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  2  0  0  0  0
 10  1  2  0  0  0  0
 11  1  2  0  0  0  0
 12  7  2  0  0  0  0
 13  6  2  0  0  0  0
 14  7  1  0  0  0  0
 15  6  1  0  0  0  0
 16 13  1  0  0  0  0
 17 13  1  0  0  0  0
 18 15  2  0  0  0  0
 19 18  1  0  0  0  0
 17 19  2  0  0  0  0
  8  3  2  0  0  0  0
M  END
>  <Mol_ID> (2,106)
2106

>  <Formula> (2,106)
C13H12O5S

>  <MolWeight> (2,106)
280.29638

>  <COMPOUND_NAME> (2,106)
WAY-335084

>  <BAR_CODE_NO> (2,106)
310085

$$$$
WAY-335087
csChFnd80/06171916322D

 28 30  0  0  0  0  0  0  0  0999 V2000
    0.2792   -1.1167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.8542   -1.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250   -1.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1375   -1.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8542   -2.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1375   -2.7750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4167   -2.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333   -0.6917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917   -1.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7042   -1.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5667   -1.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1500   -1.8292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042   -0.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7042   -2.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1292   -0.2917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917   -2.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208    0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1583   -1.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5750   -0.2917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2792   -1.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1292   -3.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8708   -0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8500    0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9917   -1.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5583    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8417   -4.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7167   -1.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3 10  2  0  0  0  0
  4  3  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 14  2  0  0  0  0
  8  1  1  0  0  0  0
  9  1  1  0  0  0  0
 10  9  1  0  0  0  0
 11  2  1  0  0  0  0
 12  1  2  0  0  0  0
 13  1  2  0  0  0  0
 14 16  1  0  0  0  0
 15  4  2  0  0  0  0
 16  9  2  0  0  0  0
 17  8  1  0  0  0  0
 18  8  1  0  0  0  0
 19 11  2  0  0  0  0
 20 11  1  0  0  0  0
 21  6  1  0  0  0  0
 22 18  1  0  0  0  0
 23 17  1  0  0  0  0
 24 22  1  0  0  0  0
 25 20  1  0  0  0  0
 26 24  1  0  0  0  0
 27 21  1  0  0  0  0
 28 25  1  0  0  0  0
  3  7  1  0  0  0  0
 23 24  1  0  0  0  0
  5  2  2  0  0  0  0
M  END
>  <Mol_ID> (2,107)
2107

>  <Formula> (2,107)
C20H26N2O5S

>  <MolWeight> (2,107)
406.49584

>  <COMPOUND_NAME> (2,107)
WAY-335087

>  <BAR_CODE_NO> (2,107)
310088

$$$$
WAY-335140
csChFnd80/06171916322D

 29 31  0  0  0  0  0  0  0  0999 V2000
    3.2667   -3.8792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.8500   -4.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1292   -3.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4125   -4.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5542   -3.4625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8500   -5.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9792   -4.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1250   -5.5292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6917   -3.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5667   -3.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4042   -5.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8542   -4.5917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6792   -3.1625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1292   -3.0417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5625   -2.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8417   -3.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9792   -5.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5667   -3.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6917   -5.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2792   -4.2917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1292   -3.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8500   -2.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1292   -2.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9917   -3.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167   -2.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7042   -4.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1375   -4.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4250   -3.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8542   -3.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  2  0  0  0  0
  5  1  1  0  0  0  0
  6  8  1  0  0  0  0
  7  1  1  0  0  0  0
  8 11  1  0  0  0  0
  9  7  1  0  0  0  0
 10  2  1  0  0  0  0
 11 19  2  0  0  0  0
 12  1  2  0  0  0  0
 13  1  2  0  0  0  0
 14  3  2  0  0  0  0
 15  5  1  0  0  0  0
 16  5  1  0  0  0  0
 17  7  2  0  0  0  0
 18 10  2  0  0  0  0
 19 17  1  0  0  0  0
 20 10  1  0  0  0  0
 21 16  1  0  0  0  0
 22 15  1  0  0  0  0
 23 21  1  0  0  0  0
 24 20  1  0  0  0  0
 25 23  1  0  0  0  0
 26 24  1  0  0  0  0
 27 28  1  0  0  0  0
 28 26  1  0  0  0  0
 29 27  1  0  0  0  0
  4 11  1  0  0  0  0
 22 23  1  0  0  0  0
  6  2  2  0  0  0  0
M  END
>  <Mol_ID> (2,108)
2108

>  <Formula> (2,108)
C21H29N3O4S

>  <MolWeight> (2,108)
419.53766

>  <COMPOUND_NAME> (2,108)
WAY-335140

>  <BAR_CODE_NO> (2,108)
310141

$$$$
WAY-335163
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
    5.5417   -3.2417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.2625   -2.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9750   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2625   -1.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8250   -3.6667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9750   -1.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6875   -0.3417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9542   -3.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9750   -3.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9667   -3.9625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1167   -2.5292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9542   -4.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667   -3.3917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1625   -4.7292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792   -4.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2625   -0.3417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6750   -3.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000   -1.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6917   -1.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6917   -2.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6667   -4.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1042   -3.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3875   -3.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1042   -1.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9750   -4.0542    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3792   -4.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1042   -2.8167    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.8292   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1167   -0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8292   -1.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  6  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  2  0  0  0  0
  7  3  1  0  0  0  0
  8 18  1  0  0  0  0
  9  2  2  0  0  0  0
 10  1  2  0  0  0  0
 11  1  2  0  0  0  0
 12 22  1  0  0  0  0
 13  8  1  0  0  0  0
 14 12  1  0  0  0  0
 15 13  1  0  0  0  0
 16  7  1  0  0  0  0
 17  3  2  0  0  0  0
 18 24  2  0  0  0  0
 19 16  2  0  0  0  0
 20 21  2  0  0  0  0
 21  9  1  0  0  0  0
 22 27  2  0  0  0  0
 23  5  1  0  0  0  0
 24 23  1  0  0  0  0
 25 19  1  0  0  0  0
 26  9  1  0  0  0  0
 27 24  1  0  0  0  0
 28 25  1  0  0  0  0
 29 30  2  0  0  0  0
 30 16  1  0  0  0  0
 31 29  1  0  0  0  0
 20  6  1  0  0  0  0
  8 12  2  0  0  0  0
 14 15  1  0  0  0  0
 31 25  2  0  0  0  0
M  END
>  <Mol_ID> (2,109)
2109

>  <Formula> (2,109)
C21H16ClFN2O5S

>  <MolWeight> (2,109)
462.8785432

>  <COMPOUND_NAME> (2,109)
WAY-335163

>  <BAR_CODE_NO> (2,109)
310164

$$$$
WAY-348739
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
    8.6417   -1.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3167   -3.0417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3542   -4.1917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6667   -4.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3375   -1.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6917   -3.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6500   -6.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3292   -7.5125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2917   -0.7667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3417   -5.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6542   -5.3042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.0167   -8.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2667   -5.2417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3917   -9.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3250   -6.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0625  -10.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4167  -12.0417    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.6750   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3875   -3.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -9.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2667   -4.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3250   -8.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3667  -10.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3625   -0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5792   -3.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7167   -1.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  6  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7 15  1  0  0  0  0
  8  7  1  0  0  0  0
  9  1  2  0  0  0  0
 10  4  1  0  0  0  0
 11 10  1  0  0  0  0
 12  8  1  0  0  0  0
 13  7  2  0  0  0  0
 14 12  1  0  0  0  0
 15 11  1  0  0  0  0
 16 14  2  0  0  0  0
 17 16  1  0  0  0  0
 18  5  2  0  0  0  0
 19  6  2  0  0  0  0
 20 22  1  0  0  0  0
 21 11  1  0  0  0  0
 22 12  2  0  0  0  0
 23 20  2  0  0  0  0
 24 18  1  0  0  0  0
 25 21  1  0  0  0  0
 26 24  2  0  0  0  0
  3  4  2  0  0  0  0
 26 19  1  0  0  0  0
 16 23  1  0  0  0  0
M  END
>  <Mol_ID> (2,110)
2110

>  <Formula> (2,110)
C19H19BrN4O2

>  <MolWeight> (2,110)
415.28376

>  <COMPOUND_NAME> (2,110)
WAY-348739

>  <BAR_CODE_NO> (2,110)
90461813

$$$$
WAY-348770
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   13.1667   -6.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6917   -3.1750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8000   -7.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8250   -8.2125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4625   -3.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3125   -4.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3875   -6.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7000   -5.3042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.8042   -7.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8542   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4750   -5.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4250   -5.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5542   -4.2375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.8417   -2.1167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1750   -5.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292   -4.1750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8042  -10.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8625   -9.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8417  -11.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6167   -7.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6292   -4.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8667   -6.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0167   -5.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6375   -6.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  6  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6 13  1  0  0  0  0
  7  1  1  0  0  0  0
  8  6  2  0  0  0  0
  9  7  2  0  0  0  0
 10 11  1  0  0  0  0
 11  8  1  0  0  0  0
 12  1  1  0  0  0  0
 13 15  1  0  0  0  0
 14  5  2  0  0  0  0
 15 12  1  0  0  0  0
 16 12  2  0  0  0  0
 17 18  1  0  0  0  0
 18  4  1  0  0  0  0
 19 17  2  0  0  0  0
 20  3  1  0  0  0  0
 21  9  1  0  0  0  0
 22 10  2  0  0  0  0
 23 11  2  0  0  0  0
 24 25  2  0  0  0  0
 25 23  1  0  0  0  0
  9  4  1  0  0  0  0
 10  5  1  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <Mol_ID> (2,111)
2111

>  <Formula> (2,111)
C19H19N3O2S

>  <MolWeight> (2,111)
353.43806

>  <COMPOUND_NAME> (2,111)
WAY-348770

>  <BAR_CODE_NO> (2,111)
90461838

$$$$
WAY-358437
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -0.4582    0.1103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9203   -0.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8893    0.8103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3280    0.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7203   -0.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5444   -1.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4893    1.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6893    0.9897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7280    0.7897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7280   -0.6103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1996   -1.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9824   -2.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0720    2.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7582    1.8103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5280    0.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8099   -1.9897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9418    1.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9280    0.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2720   -2.6759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7659    1.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7418    0.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0582   -2.6621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1625    0.7517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0107    0.7517    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 11 16  1  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  2  0  0  0  0
 19 22  1  0  0  0  0
 20 23  2  0  0  0  0
 23 24  1  0  0  0  0
 12 16  2  0  0  0  0
 13 14  1  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (2,112)
2112

>  <Formula> (2,112)
C18H18ClN3O2

>  <MolWeight> (2,112)
343.80742

>  <COMPOUND_NAME> (2,112)
WAY-358437

>  <BAR_CODE_NO> (2,112)
90461738

$$$$
WAY-625058
csChFnd80/06171916322D

 29 31  0  0  0  0  0  0  0  0999 V2000
    0.4167   -2.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167   -3.2250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167   -1.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1292   -0.3375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167    0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958    2.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167    0.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4083   -2.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2417   -2.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167   -4.8750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958   -3.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1292   -3.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1292   -1.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958    1.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0125    2.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958   -1.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958   -0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167    2.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1292   -4.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958   -4.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0125    3.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0125    5.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7250    3.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958    3.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958    4.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7250    4.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167   -5.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1292    1.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0125    5.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4 13  1  0  0  0  0
  5 17  1  0  0  0  0
  6 14  1  0  0  0  0
  7  5  1  0  0  0  0
  8  1  2  0  0  0  0
  9  1  2  0  0  0  0
 10 19  1  0  0  0  0
 11  2  1  0  0  0  0
 12  2  1  0  0  0  0
 13  3  2  0  0  0  0
 14  7  1  0  0  0  0
 15  6  1  0  0  0  0
 16  3  1  0  0  0  0
 17 16  2  0  0  0  0
 18  6  2  0  0  0  0
 19 12  1  0  0  0  0
 20 11  1  0  0  0  0
 21 15  1  0  0  0  0
 22 25  1  0  0  0  0
 23 21  2  0  0  0  0
 24 21  1  0  0  0  0
 25 24  2  0  0  0  0
 26 23  1  0  0  0  0
 27 10  1  0  0  0  0
 28  7  1  0  0  0  0
 29 22  1  0  0  0  0
 10 20  1  0  0  0  0
  5  4  2  0  0  0  0
 22 26  2  0  0  0  0
M  END
>  <Mol_ID> (2,113)
2113

>  <Formula> (2,113)
C20H27N5O3S

>  <MolWeight> (2,113)
417.52508

>  <COMPOUND_NAME> (2,113)
WAY-625058

>  <BAR_CODE_NO> (2,113)
90459240

$$$$
WAY-625061
csChFnd80/06171916322D

 30 32  0  0  0  0  0  0  0  0999 V2000
   -0.7625    0.4625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7125   -0.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917   -1.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4250    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5833    0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0375    1.7708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7583    1.3583    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.1917   -0.3000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.9792   -1.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9792   -0.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8875   -0.9667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9417   -2.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4750   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3500   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792    1.3875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1333   -0.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3750    1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4917   -3.0292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8875    0.4625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1375   -2.5875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5750    1.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6500   -1.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6500   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2208    2.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    1.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792   -3.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0750   -3.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7750    2.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8375    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6208    2.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 11  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  5  1  0  0  0  0
  8  2  1  0  0  0  0
  9  3  1  0  0  0  0
 10  8  1  0  0  0  0
 11 13  1  0  0  0  0
 12  3  1  0  0  0  0
 13 14  1  0  0  0  0
 14  1  1  0  0  0  0
 15  4  2  0  0  0  0
 16  5  2  0  0  0  0
 17  7  1  0  0  0  0
 18 12  2  0  0  0  0
 19 13  2  0  0  0  0
 20 12  1  0  0  0  0
 21  7  1  0  0  0  0
 22  9  1  0  0  0  0
 23 10  1  0  0  0  0
 24 17  1  0  0  0  0
 25 17  2  0  0  0  0
 26 20  1  0  0  0  0
 27 26  1  0  0  0  0
 28 25  1  0  0  0  0
 29 24  2  0  0  0  0
 30 28  2  0  0  0  0
  7  6  1  0  0  0  0
 10  9  2  0  0  0  0
 30 29  1  0  0  0  0
M  END
>  <Mol_ID> (2,114)
2114

>  <Formula> (2,114)
C21H23N3O5S

>  <MolWeight> (2,114)
429.48942

>  <COMPOUND_NAME> (2,114)
WAY-625061

>  <BAR_CODE_NO> (2,114)
90459243

$$$$
WAY-625076
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
    0.1667   -1.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208   -2.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667   -2.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9500   -1.7042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9500   -2.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042    2.1333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0875   -0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833    2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7625    1.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0875   -3.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4625   -0.0500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833    3.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8958   -0.4917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5667    1.1750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042    3.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8958   -3.7375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458   -2.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6167   -3.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958    1.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4625   -4.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958    3.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7083    2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7083    3.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  9  1  0  0  0  0
  7  1  1  0  0  0  0
  8  6  1  0  0  0  0
  9 14  1  0  0  0  0
 10  6  1  0  0  0  0
 11  3  1  0  0  0  0
 12  7  1  0  0  0  0
 13  8  2  0  0  0  0
 14 12  1  0  0  0  0
 15  7  2  0  0  0  0
 16  9  2  0  0  0  0
 17 10  1  0  0  0  0
 18 11  2  0  0  0  0
 19  2  1  0  0  0  0
 20  5  1  0  0  0  0
 21  8  1  0  0  0  0
 22 11  1  0  0  0  0
 23 13  1  0  0  0  0
 24 21  2  0  0  0  0
 25 24  1  0  0  0  0
  5  3  2  0  0  0  0
 13 17  1  0  0  0  0
 25 23  2  0  0  0  0
M  END
>  <Mol_ID> (2,115)
2115

>  <Formula> (2,115)
C19H20N2O4

>  <MolWeight> (2,115)
340.3731

>  <COMPOUND_NAME> (2,115)
WAY-625076

>  <BAR_CODE_NO> (2,115)
90459258

$$$$
WAY-625096
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
   -1.1625    1.3458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1625    2.9958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667   -1.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8833    1.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6917   -1.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1625    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6917   -1.9542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4500    2.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8833    2.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667   -1.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792   -2.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4042   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4500    1.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4917    0.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4500   -0.7167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4500    0.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792   -0.7167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1625   -1.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667    2.9958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8833    0.1083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0917   -1.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125   -0.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4500   -2.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5958    1.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5958    2.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792   -3.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4500   -3.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3083    1.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3083    2.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667   -3.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  8  1  0  0  0  0
  3 10  1  0  0  0  0
  4  1  1  0  0  0  0
  5  7  1  0  0  0  0
  6  1  1  0  0  0  0
  7 11  1  0  0  0  0
  8 13  1  0  0  0  0
  9  4  2  0  0  0  0
 10 15  1  0  0  0  0
 11  3  2  0  0  0  0
 12  5  1  0  0  0  0
 13  1  1  0  0  0  0
 14 12  1  0  0  0  0
 15 16  1  0  0  0  0
 16  6  1  0  0  0  0
 17  5  2  0  0  0  0
 18 12  2  0  0  0  0
 19  8  2  0  0  0  0
 20  6  2  0  0  0  0
 21 10  2  0  0  0  0
 22 14  1  0  0  0  0
 23 18  1  0  0  0  0
 24  3  1  0  0  0  0
 25  4  1  0  0  0  0
 26  9  1  0  0  0  0
 27 11  1  0  0  0  0
 28 24  2  0  0  0  0
 29 25  2  0  0  0  0
 30 29  1  0  0  0  0
 31 28  1  0  0  0  0
  2  9  1  0  0  0  0
 30 26  2  0  0  0  0
 31 27  2  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (2,116)
2116

>  <Formula> (2,116)
C22H17N3O6

>  <MolWeight> (2,116)
419.38688

>  <COMPOUND_NAME> (2,116)
WAY-625096

>  <BAR_CODE_NO> (2,116)
90459278

$$$$
WAY-625109
csChFnd80/06171916322D

 35 40  0  0  0  0  0  0  0  0999 V2000
   -0.7458    0.9208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4000    2.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542    1.9875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0375    0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292    1.3125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9333    3.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2208    2.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4250    3.7583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3750    0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3125   -0.1417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4917   -3.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2208    3.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2417   -2.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3750   -1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9417   -3.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1792   -1.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4375   -2.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3000   -3.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1917   -4.4417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167   -1.7375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8958   -0.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167   -0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292   -3.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2083    0.4125    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.8792   -2.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9708    2.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5542   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -4.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5458    0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9375    3.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4375    1.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6875    2.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2708    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6708    3.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  2  2  0  0  0  0
  5  1  1  0  0  0  0
  6  5  2  0  0  0  0
  7  3  2  0  0  0  0
  8  3  1  0  0  0  0
  9  7  1  0  0  0  0
 10  1  1  0  0  0  0
 11  5  1  0  0  0  0
 12 14  1  0  0  0  0
 13  8  2  0  0  0  0
 14 18  2  0  0  0  0
 15 23  1  0  0  0  0
 16 24  1  0  0  0  0
 17 15  1  0  0  0  0
 18 17  1  0  0  0  0
 19 12  1  0  0  0  0
 20 16  1  0  0  0  0
 21 15  2  0  0  0  0
 22 25  1  0  0  0  0
 23 11  1  0  0  0  0
 24 26  2  0  0  0  0
 25 10  1  0  0  0  0
 26 18  1  0  0  0  0
 27  8  1  0  0  0  0
 28 19  1  0  0  0  0
 29 20  1  0  0  0  0
 30 22  1  0  0  0  0
 31 13  1  0  0  0  0
 32 25  1  0  0  0  0
 33 27  2  0  0  0  0
 34 32  1  0  0  0  0
 35 33  1  0  0  0  0
  4  6  1  0  0  0  0
 30 34  1  0  0  0  0
 13  9  1  0  0  0  0
 35 31  2  0  0  0  0
 16 12  2  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (2,117)
2117

>  <Formula> (2,117)
C25H25N5O4S

>  <MolWeight> (2,117)
491.5621

>  <COMPOUND_NAME> (2,117)
WAY-625109

>  <BAR_CODE_NO> (2,117)
90459291

$$$$
WAY-625135
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -0.4875    2.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833   -0.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0375    1.5083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958   -1.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958   -0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833   -2.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292    2.0333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5708   -1.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583    2.9250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3375    0.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167   -2.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167   -0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6667    2.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542    3.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167    0.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1292   -1.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1292   -0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8417   -2.1667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5625   -1.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 11  1  0  0  0  0
  3  1  1  0  0  0  0
  4  5  2  0  0  0  0
  5  2  1  0  0  0  0
  6  8  1  0  0  0  0
  7  1  2  0  0  0  0
  8  2  2  0  0  0  0
  9  3  1  0  0  0  0
 10  1  1  0  0  0  0
 11  9  1  0  0  0  0
 12  4  1  0  0  0  0
 13  5  1  0  0  0  0
 14  7  1  0  0  0  0
 15 10  1  0  0  0  0
 16  9  2  0  0  0  0
 17 18  1  0  0  0  0
 18 13  2  0  0  0  0
 19 17  1  0  0  0  0
 20 19  1  0  0  0  0
 15 14  2  0  0  0  0
  4  6  1  0  0  0  0
 17 12  2  0  0  0  0
M  END
>  <Mol_ID> (2,118)
2118

>  <Formula> (2,118)
C14H12N2O3S

>  <MolWeight> (2,118)
288.32168

>  <COMPOUND_NAME> (2,118)
WAY-625135

>  <BAR_CODE_NO> (2,118)
90459317

$$$$
WAY-625138
csChFnd80/06171916322D

 29 31  0  0  0  0  0  0  0  0999 V2000
   -1.1583   -1.9500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458   -1.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8750   -2.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5708   -1.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458   -2.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792    1.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667   -1.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458   -0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792    0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667    0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6917    2.1750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667    2.1750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3083   -3.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792   -1.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5875   -1.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8750   -3.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792   -0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667   -2.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6917    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5875   -3.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3083   -2.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792   -3.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9542    3.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417    3.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6250    4.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667    4.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792    4.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1042    4.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  1  2  0  0  0  0
  6  9  1  0  0  0  0
  7  2  2  0  0  0  0
  8  2  1  0  0  0  0
  9 10  2  0  0  0  0
 10 13  1  0  0  0  0
 11  6  1  0  0  0  0
 12  6  2  0  0  0  0
 13  8  2  0  0  0  0
 14 21  1  0  0  0  0
 15  7  1  0  0  0  0
 16  3  1  0  0  0  0
 17  3  1  0  0  0  0
 18 13  1  0  0  0  0
 19  7  1  0  0  0  0
 20 11  1  0  0  0  0
 21 17  1  0  0  0  0
 22 16  1  0  0  0  0
 23 19  1  0  0  0  0
 24 20  1  0  0  0  0
 25 20  1  0  0  0  0
 26 25  1  0  0  0  0
 27 24  1  0  0  0  0
 28 27  1  0  0  0  0
 29 26  1  0  0  0  0
 14 22  1  0  0  0  0
 18 15  2  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (2,119)
2119

>  <Formula> (2,119)
C21H30N2O5S

>  <MolWeight> (2,119)
422.5383

>  <COMPOUND_NAME> (2,119)
WAY-625138

>  <BAR_CODE_NO> (2,119)
90459320

$$$$
WAY-625154
csChFnd80/06171916322D

 14 15  0  0  0  0  0  0  0  0999 V2000
    0.8667   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1500    0.7375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667    0.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1500   -0.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5625   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5625    0.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1500   -1.7375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5792    0.7375    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.5792    1.5625    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.2833   -0.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2833    0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2917    0.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9958   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9958    0.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  4  2  0  0  0  0
  8  3  1  0  0  0  0
  9  8  1  0  0  0  0
 10  5  1  0  0  0  0
 11  6  1  0  0  0  0
 12  8  1  0  0  0  0
 13 10  2  0  0  0  0
 14 13  1  0  0  0  0
  6  2  1  0  0  0  0
 11 14  2  0  0  0  0
M  END
>  <Mol_ID> (2,120)
2120

>  <Formula> (2,120)
C10H9ClN2O

>  <MolWeight> (2,120)
208.64426

>  <COMPOUND_NAME> (2,120)
WAY-625154

>  <BAR_CODE_NO> (2,120)
90459336

$$$$
WAY-625182
csChFnd80/06171916322D

 30 34  0  0  0  0  0  0  0  0999 V2000
    0.8375   -1.4792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5125    1.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5500   -2.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5667   -1.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292   -3.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167   -1.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3333    2.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083    0.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167   -2.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1583    2.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667    2.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3125    3.0833    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.1042    3.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.1667    0.5458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2417   -3.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1125   -0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958    2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6458    3.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4750   -0.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958    0.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6000    3.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1375    2.5333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417   -1.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9917   -1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6000   -1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5958   -3.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208   -1.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3125   -2.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  9  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5 10  1  0  0  0  0
  6  1  1  0  0  0  0
  7  1  1  0  0  0  0
  8 11  1  0  0  0  0
  9 16  1  0  0  0  0
 10  6  2  0  0  0  0
 11  2  1  0  0  0  0
 12  2  1  0  0  0  0
 13  2  1  0  0  0  0
 14 13  1  0  0  0  0
 15 12  1  0  0  0  0
 16 18  1  0  0  0  0
 17  3  2  0  0  0  0
 18  7  1  0  0  0  0
 19 15  1  0  0  0  0
 20 14  1  0  0  0  0
 21  7  2  0  0  0  0
 22  9  2  0  0  0  0
 23 14  1  0  0  0  0
 24  8  1  0  0  0  0
 25  4  1  0  0  0  0
 26  4  1  0  0  0  0
 27  6  1  0  0  0  0
 28 10  1  0  0  0  0
 29 27  2  0  0  0  0
 30 29  1  0  0  0  0
  3  5  1  0  0  0  0
 30 28  2  0  0  0  0
 23 15  1  0  0  0  0
  8 20  1  0  0  0  0
 19  8  1  0  0  0  0
M  END
>  <Mol_ID> (2,121)
2121

>  <Formula> (2,121)
C23H28N2O5

>  <MolWeight> (2,121)
412.47882

>  <COMPOUND_NAME> (2,121)
WAY-625182

>  <BAR_CODE_NO> (2,121)
90459367

$$$$
WAY-625190
csChFnd80/06171916322D

 27 31  0  0  0  0  0  0  0  0999 V2000
   -1.2583    2.2333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833    1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958    3.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1708    3.0208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833    0.9208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792    2.2333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292   -0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292   -1.9667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5542   -1.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417   -1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6417   -2.7875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417   -0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4833    3.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833   -0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833   -1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3125   -1.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2375    4.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5708    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417   -2.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8625   -2.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417    0.9208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000   -0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000   -1.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7875   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0125   -0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0125   -1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  2  1  0  0  0  0
  6  5  1  0  0  0  0
  7  2  2  0  0  0  0
  8  6  1  0  0  0  0
  9 16  1  0  0  0  0
 10 11  1  0  0  0  0
 11 13  1  0  0  0  0
 12 10  1  0  0  0  0
 13  8  2  0  0  0  0
 14  3  1  0  0  0  0
 15  8  1  0  0  0  0
 16 15  2  0  0  0  0
 17 10  2  0  0  0  0
 18 14  1  0  0  0  0
 19 14  1  0  0  0  0
 20 12  1  0  0  0  0
 21 17  1  0  0  0  0
 22  6  2  0  0  0  0
 23 15  1  0  0  0  0
 24 16  1  0  0  0  0
 25 20  1  0  0  0  0
 26 23  2  0  0  0  0
 27 26  1  0  0  0  0
  4  7  1  0  0  0  0
 18 19  1  0  0  0  0
  9 11  2  0  0  0  0
 27 24  2  0  0  0  0
 21 20  2  0  0  0  0
M  END
>  <Mol_ID> (2,122)
2122

>  <Formula> (2,122)
C20H16N4O2S

>  <MolWeight> (2,122)
376.43164

>  <COMPOUND_NAME> (2,122)
WAY-625190

>  <BAR_CODE_NO> (2,122)
90459375

$$$$
WAY-625234
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
    2.0917   -0.1417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8042    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0917   -0.9667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8042   -1.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5167   -0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3750    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5167   -0.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3458    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6625   -0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6250   -0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4833    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3458    1.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1958   -0.1417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1250    0.0208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8042    1.0958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8042   -2.2042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1250    1.3583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9083    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6083    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6625   -0.9667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4833    1.0958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0500    0.2708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6250    1.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7708   -0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9083    1.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2292    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2292   -1.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500   -0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500   -0.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8 10  1  0  0  0  0
  9  6  1  0  0  0  0
 10 18  2  0  0  0  0
 11 24  1  0  0  0  0
 12 23  1  0  0  0  0
 13 11  1  0  0  0  0
 14  8  1  0  0  0  0
 15  2  2  0  0  0  0
 16  4  2  0  0  0  0
 17 12  1  0  0  0  0
 18 13  1  0  0  0  0
 19 14  1  0  0  0  0
 20  9  2  0  0  0  0
 21 11  2  0  0  0  0
 22  9  1  0  0  0  0
 23 25  2  0  0  0  0
 24 22  1  0  0  0  0
 25 18  1  0  0  0  0
 26  5  1  0  0  0  0
 27  7  1  0  0  0  0
 28 26  2  0  0  0  0
 29 27  2  0  0  0  0
  7  5  2  0  0  0  0
 28 29  1  0  0  0  0
 12  8  2  0  0  0  0
 19 17  1  0  0  0  0
M  END
>  <Mol_ID> (2,123)
2123

>  <Formula> (2,123)
C19H15N3O7

>  <MolWeight> (2,123)
397.3383

>  <COMPOUND_NAME> (2,123)
WAY-625234

>  <BAR_CODE_NO> (2,123)
90459419

$$$$
WAY-625242
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -1.6333   -0.7042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5125   -0.2917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208   -0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9417    0.5333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2250   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9417   -0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3458   -0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083   -1.5292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208    0.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3458    0.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9417    2.1833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6333    0.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6542    0.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2250    0.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2250   -1.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6542   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2250    1.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6542    1.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0583   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0583    0.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9417   -1.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6542   -1.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7750   -0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7750    0.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  2  0  0  0  0
  5  7  1  0  0  0  0
  6  3  1  0  0  0  0
  7  6  2  0  0  0  0
  8  1  1  0  0  0  0
  9  2  2  0  0  0  0
 10  4  1  0  0  0  0
 11  8  2  0  0  0  0
 12 18  1  0  0  0  0
 13 11  1  0  0  0  0
 14  5  1  0  0  0  0
 15  5  1  0  0  0  0
 16  6  1  0  0  0  0
 17  7  1  0  0  0  0
 18 15  1  0  0  0  0
 19 14  1  0  0  0  0
 20  8  1  0  0  0  0
 21 11  1  0  0  0  0
 22 16  2  0  0  0  0
 23 22  1  0  0  0  0
 24 20  2  0  0  0  0
 25 24  1  0  0  0  0
 13 10  2  0  0  0  0
 25 21  2  0  0  0  0
 23 17  2  0  0  0  0
 12 19  1  0  0  0  0
M  END
>  <Mol_ID> (2,124)
2124

>  <Formula> (2,124)
C20H19N3O2

>  <MolWeight> (2,124)
333.38376

>  <COMPOUND_NAME> (2,124)
WAY-625242

>  <BAR_CODE_NO> (2,124)
90459427

$$$$
WAY-625249
csChFnd80/06171916322D

 33 37  0  0  0  0  0  0  0  0999 V2000
   -3.3583   -0.2792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333   -0.4417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0833    0.1333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6458   -0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208   -0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333   -1.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9333   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208   -1.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5292    0.3208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3542    0.3208    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.9458    0.4333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7708   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7667    1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792   -1.1042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6458   -1.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9333   -1.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5917    1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5292   -1.1042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5083    0.9583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0833    0.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7875   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7667   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7875    1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5083    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5917   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3542    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0042    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0042    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7667    2.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5917    2.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  6  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8  5  2  0  0  0  0
  9 18  1  0  0  0  0
 10 15  1  0  0  0  0
 11 10  1  0  0  0  0
 12  1  2  0  0  0  0
 13  1  2  0  0  0  0
 14 11  1  0  0  0  0
 15 24  1  0  0  0  0
 16  3  1  0  0  0  0
 17  5  1  0  0  0  0
 18 17  2  0  0  0  0
 19 14  2  0  0  0  0
 20 15  2  0  0  0  0
 21 27  1  0  0  0  0
 22  4  1  0  0  0  0
 23  4  1  0  0  0  0
 24 16  1  0  0  0  0
 25 11  1  0  0  0  0
 26 22  1  0  0  0  0
 27 23  1  0  0  0  0
 28 25  1  0  0  0  0
 29 14  1  0  0  0  0
 30 28  1  0  0  0  0
 31 19  1  0  0  0  0
 32 29  2  0  0  0  0
 33 32  1  0  0  0  0
 21 26  1  0  0  0  0
  9  6  2  0  0  0  0
  7  3  1  0  0  0  0
 30 19  1  0  0  0  0
 33 31  2  0  0  0  0
M  END
>  <Mol_ID> (2,125)
2125

>  <Formula> (2,125)
C23H25N3O5S2

>  <MolWeight> (2,125)
487.5917

>  <COMPOUND_NAME> (2,125)
WAY-625249

>  <BAR_CODE_NO> (2,125)
90459434

$$$$
WAY-625251
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -1.6083   -0.4667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3208   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6083    0.3583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3208    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6792   -0.4667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0333   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8875   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0333    0.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6792    0.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9667   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1750   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3208   -1.7042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3208    1.5958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3917    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9667   -1.7042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417   -0.8792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1750    0.3583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3917   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7458   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7458    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9667    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1125   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1125    0.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3917    1.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4708   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4708    0.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9667    1.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6792    2.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5 10  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  4  1  0  0  0  0
  9  5  1  0  0  0  0
 10 14  1  0  0  0  0
 11  7  1  0  0  0  0
 12  2  2  0  0  0  0
 13  4  2  0  0  0  0
 14 17  1  0  0  0  0
 15  9  2  0  0  0  0
 16 10  2  0  0  0  0
 17 11  1  0  0  0  0
 18 11  2  0  0  0  0
 19  5  1  0  0  0  0
 20  6  1  0  0  0  0
 21  8  1  0  0  0  0
 22  9  1  0  0  0  0
 23 19  1  0  0  0  0
 24 23  1  0  0  0  0
 25 15  1  0  0  0  0
 26 20  2  0  0  0  0
 27 21  2  0  0  0  0
 28 22  2  0  0  0  0
 29 28  1  0  0  0  0
  8  6  2  0  0  0  0
 26 27  1  0  0  0  0
 24 15  1  0  0  0  0
 29 25  2  0  0  0  0
M  END
>  <Mol_ID> (2,126)
2126

>  <Formula> (2,126)
C21H19N3O5

>  <MolWeight> (2,126)
393.39266

>  <COMPOUND_NAME> (2,126)
WAY-625251

>  <BAR_CODE_NO> (2,126)
90459437

$$$$
WAY-625254
csChFnd80/06171916322D

 26 27  0  0  0  0  0  0  0  0999 V2000
   -0.5208   -1.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083   -2.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208   -3.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2625   -2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2625   -2.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667    2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1125    3.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6667    3.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833    1.7375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833   -1.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1750    2.1833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833   -3.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667    0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4667    3.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2250   -0.4417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292    2.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5833   -0.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792    0.7833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5833   -4.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958    3.3083    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833    0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8333   -2.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292   -3.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0250    4.1792    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    4.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2250   -4.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  9  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9 13  1  0  0  0  0
 10  1  1  0  0  0  0
 11  6  1  0  0  0  0
 12  3  1  0  0  0  0
 13 21  1  0  0  0  0
 14 16  1  0  0  0  0
 15 10  1  0  0  0  0
 16 11  2  0  0  0  0
 17 10  2  0  0  0  0
 18 13  2  0  0  0  0
 19 12  2  0  0  0  0
 20  7  1  0  0  0  0
 21 15  1  0  0  0  0
 22  2  1  0  0  0  0
 23  5  1  0  0  0  0
 24 14  1  0  0  0  0
 25  8  1  0  0  0  0
 26 12  1  0  0  0  0
  5  3  2  0  0  0  0
 14  8  2  0  0  0  0
M  END
>  <Mol_ID> (2,127)
2127

>  <Formula> (2,127)
C17H17Cl2N3O4

>  <MolWeight> (2,127)
398.24058

>  <COMPOUND_NAME> (2,127)
WAY-625254

>  <BAR_CODE_NO> (2,127)
90459440

$$$$
WAY-625264
csChFnd80/06171916322D

 30 34  0  0  0  0  0  0  0  0999 V2000
   -0.2583    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1750    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292    0.4083    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.0417    1.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9750    1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667   -0.3417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6417   -1.8542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6875    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4083    1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9750   -2.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7875    0.0250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6667    2.5458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4083    2.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9750    2.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7875   -0.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792   -1.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1250   -1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167   -1.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1208    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4917   -3.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1208    3.0500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6875    3.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6667   -3.1917    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.7917   -2.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8333    1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8333    2.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8250   -4.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1292   -3.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6417   -4.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8 19  1  0  0  0  0
  9  6  2  0  0  0  0
 10  9  1  0  0  0  0
 11  8  1  0  0  0  0
 12  2  2  0  0  0  0
 13  3  2  0  0  0  0
 14 23  1  0  0  0  0
 15  6  1  0  0  0  0
 16  7  1  0  0  0  0
 17  7  1  0  0  0  0
 18 16  1  0  0  0  0
 19 17  1  0  0  0  0
 20 10  1  0  0  0  0
 21 11  2  0  0  0  0
 22 14  1  0  0  0  0
 23 15  2  0  0  0  0
 24 21  1  0  0  0  0
 25 11  1  0  0  0  0
 26 20  1  0  0  0  0
 27 22  1  0  0  0  0
 28 21  1  0  0  0  0
 29 25  2  0  0  0  0
 30 29  1  0  0  0  0
  5  4  1  0  0  0  0
 14 10  2  0  0  0  0
 18  8  1  0  0  0  0
 26 27  1  0  0  0  0
 30 28  2  0  0  0  0
M  END
>  <Mol_ID> (2,128)
2128

>  <Formula> (2,128)
C22H22FN3O4

>  <MolWeight> (2,128)
411.4261832

>  <COMPOUND_NAME> (2,128)
WAY-625264

>  <BAR_CODE_NO> (2,128)
90459450

$$$$
WAY-625277
csChFnd80/06171916322D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.2927    1.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2927    0.6414    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0996    2.2276    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5176    2.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2927   -0.3586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2927    0.6414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7073    0.6414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7927    3.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2073    3.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5728   -0.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3789    3.9897    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.5728   -1.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4383   -2.3586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2927   -2.3586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4383   -3.3586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2927   -3.3586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5728   -3.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
  8  9  2  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (2,129)
2129

>  <Formula> (2,129)
C10H9ClN2O2S2

>  <MolWeight> (2,129)
288.77366

>  <COMPOUND_NAME> (2,129)
WAY-625277

>  <BAR_CODE_NO> (2,129)
90459463

$$$$
WAY-625279-A
csChFnd80/06171916322D

 17 18  0  0  0  0  0  0  0  0999 V2000
    2.4588    0.7404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8485   -0.3148    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6761    0.7404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0830    1.8956    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7933    0.2956    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2485   -1.3803    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9105   -0.9217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0519    1.8956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0657    2.6128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2619   -0.3148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3170    0.2956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3722   -0.3148    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4239    0.2956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3722   -1.5320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4826   -0.3148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4239   -2.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4826   -1.5320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
  8  9  2  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (2,130)
2130

>  <Formula> (2,130)
C10H16N2O3S2

>  <MolWeight> (2,130)
276.37564

>  <COMPOUND_NAME> (2,130)
WAY-625279-A

>  <BAR_CODE_NO> (2,130)
90459465

$$$$
WAY-625287
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.3875    0.2250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042   -0.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3250    0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8167   -1.4250    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.1042   -1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8167   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000    0.9458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0250   -0.4875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0458    0.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7583    0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3250    1.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5292   -2.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7583    1.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0458    1.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8167    0.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042   -2.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5292   -1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5292   -0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4708    0.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4708    1.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1833    0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1833    1.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  1  2  0  0  0  0
  8  1  2  0  0  0  0
  9  3  2  0  0  0  0
 10  9  1  0  0  0  0
 11  3  1  0  0  0  0
 12  6  2  0  0  0  0
 13 14  1  0  0  0  0
 14 11  2  0  0  0  0
 15  2  1  0  0  0  0
 16  6  1  0  0  0  0
 17 18  1  0  0  0  0
 18 15  1  0  0  0  0
 19 10  1  0  0  0  0
 20 13  1  0  0  0  0
 21 19  2  0  0  0  0
 22 20  2  0  0  0  0
 13 10  2  0  0  0  0
 17  4  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (2,131)
2131

>  <Formula> (2,131)
C16H17NO4S

>  <MolWeight> (2,131)
319.37548

>  <COMPOUND_NAME> (2,131)
WAY-625287

>  <BAR_CODE_NO> (2,131)
90459474

$$$$
WAY-625306
csChFnd80/06171916322D

 23 24  0  0  0  0  0  0  0  0999 V2000
    0.0875   -1.4750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500    3.4458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3417   -0.6917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083   -0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7375    2.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417    0.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667   -1.7292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958   -1.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1708   -2.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2625    4.2625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7250    4.1042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083    1.3208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500    2.1083    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.5292    3.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542    0.8833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292    2.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1500   -0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9750   -2.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792   -2.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7000   -1.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292   -3.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2333   -3.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6750   -3.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5 13  1  0  0  0  0
  6  4  1  0  0  0  0
  7  1  2  0  0  0  0
  8  1  2  0  0  0  0
  9  1  1  0  0  0  0
 10  2  2  0  0  0  0
 11  2  2  0  0  0  0
 12  6  1  0  0  0  0
 13 12  1  0  0  0  0
 14 16  1  0  0  0  0
 15  6  2  0  0  0  0
 16 13  1  0  0  0  0
 17  3  1  0  0  0  0
 18  9  1  0  0  0  0
 19  9  2  0  0  0  0
 20 17  1  0  0  0  0
 21 19  1  0  0  0  0
 22 18  2  0  0  0  0
 23 21  2  0  0  0  0
 23 22  1  0  0  0  0
  2 14  1  0  0  0  0
M  END
>  <Mol_ID> (2,132)
2132

>  <Formula> (2,132)
C14H20N2O5S2

>  <MolWeight> (2,132)
360.449

>  <COMPOUND_NAME> (2,132)
WAY-625306

>  <BAR_CODE_NO> (2,132)
90459493

$$$$
WAY-625308
csChFnd80/06171916322D

 30 32  0  0  0  0  0  0  0  0999 V2000
   -0.8833   -1.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1708   -1.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1708   -2.3750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833   -2.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833   -0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958   -1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958   -2.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417    2.1625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542    2.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417    1.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9750    2.1625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1708    0.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542    3.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1708    0.9250    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.9750    3.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833   -3.6125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958    0.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417   -2.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542    0.9250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6875    3.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6875    2.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417    3.8125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4042    3.8125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.3125   -1.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3125   -2.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833    1.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542   -2.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417   -3.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0250   -1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0250   -2.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  7  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  2  0  0  0  0
  8 10  1  0  0  0  0
  9  8  1  0  0  0  0
 10 14  1  0  0  0  0
 11  9  1  0  0  0  0
 12  5  1  0  0  0  0
 13  9  2  0  0  0  0
 14 12  1  0  0  0  0
 15 13  1  0  0  0  0
 16  4  2  0  0  0  0
 17  5  2  0  0  0  0
 18  3  1  0  0  0  0
 19 10  2  0  0  0  0
 20 15  2  0  0  0  0
 21 11  2  0  0  0  0
 22 13  1  0  0  0  0
 23 20  1  0  0  0  0
 24  6  1  0  0  0  0
 25  7  1  0  0  0  0
 26 14  1  0  0  0  0
 27 18  1  0  0  0  0
 28 18  1  0  0  0  0
 29 24  2  0  0  0  0
 30 29  1  0  0  0  0
  4  3  1  0  0  0  0
 30 25  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (2,133)
2133

>  <Formula> (2,133)
C20H18Cl2N4O4

>  <MolWeight> (2,133)
449.28732

>  <COMPOUND_NAME> (2,133)
WAY-625308

>  <BAR_CODE_NO> (2,133)
90459495

$$$$
WAY-625321
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -0.0583    2.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6625   -2.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458    2.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1792   -2.8667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4500   -2.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917    1.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4500   -3.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583    0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5125    2.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6625   -3.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4250    3.0083    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042   -1.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458    3.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583    3.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1000    0.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1625    1.1083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4250    1.2875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9625   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4000   -1.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583   -0.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2625    2.4458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167   -1.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042   -4.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 12  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  5  2  0  0  0  0
  8  6  1  0  0  0  0
  9  3  1  0  0  0  0
 10  4  2  0  0  0  0
 11  1  1  0  0  0  0
 12 18  1  0  0  0  0
 13  3  1  0  0  0  0
 14 11  1  0  0  0  0
 15  8  1  0  0  0  0
 16  8  2  0  0  0  0
 17  9  2  0  0  0  0
 18 21  2  0  0  0  0
 19 20  1  0  0  0  0
 20 15  2  0  0  0  0
 21 15  1  0  0  0  0
 22  9  1  0  0  0  0
 23  5  1  0  0  0  0
 24 10  1  0  0  0  0
 13 14  2  0  0  0  0
 12 19  2  0  0  0  0
  7 10  1  0  0  0  0
M  END
>  <Mol_ID> (2,134)
2134

>  <Formula> (2,134)
C17H16N4O2S

>  <MolWeight> (2,134)
340.39954

>  <COMPOUND_NAME> (2,134)
WAY-625321

>  <BAR_CODE_NO> (2,134)
90459508

$$$$
WAY-625325
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -1.9708   -0.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9708    0.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6833   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6833    0.7833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3958   -0.4542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958   -0.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833    0.6333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3958    0.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292   -0.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2542   -0.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417    0.6750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6833   -1.6917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417   -0.7542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8417    0.6750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667    0.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9667    0.3708    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.5417   -0.4542    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.6667   -0.7542    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1750   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9250   -1.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0167    0.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1750    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792   -0.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792    1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6042    1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6042   -0.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6625   -0.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  2  0  0  0  0
  8  2  1  0  0  0  0
  9  5  1  0  0  0  0
 10  7  1  0  0  0  0
 11 15  1  0  0  0  0
 12 10  1  0  0  0  0
 13  3  2  0  0  0  0
 14 10  2  0  0  0  0
 15 22  1  0  0  0  0
 16 12  1  0  0  0  0
 17 11  1  0  0  0  0
 18 11  1  0  0  0  0
 19 11  1  0  0  0  0
 20  5  1  0  0  0  0
 21  6  1  0  0  0  0
 22 26  2  0  0  0  0
 23  9  1  0  0  0  0
 24 16  1  0  0  0  0
 25 16  2  0  0  0  0
 26 25  1  0  0  0  0
 27 24  2  0  0  0  0
 28 20  1  0  0  0  0
  8  7  1  0  0  0  0
  9  4  2  0  0  0  0
 28 23  1  0  0  0  0
 22 27  1  0  0  0  0
M  END
>  <Mol_ID> (2,135)
2135

>  <Formula> (2,135)
C18H14F3N3O3S

>  <MolWeight> (2,135)
409.3822696

>  <COMPOUND_NAME> (2,135)
WAY-625325

>  <BAR_CODE_NO> (2,135)
90459512

$$$$
WAY-625328
csChFnd80/06171916322D

 32 35  0  0  0  0  0  0  0  0999 V2000
    0.7625   -0.3875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2125    0.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5958    0.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3833    3.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8500   -0.7292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333    3.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667    2.4083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1500   -0.9417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3750    0.1625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1500    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6125    4.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0875    1.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542    4.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1958    2.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333    5.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542    4.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0542   -1.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8958    1.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5500   -3.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6125   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542   -1.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3542   -3.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6583   -0.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000   -1.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2917   -4.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417   -4.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5583   -2.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9125   -1.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3625   -2.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  9  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8  2  1  0  0  0  0
  9 14  1  0  0  0  0
 10  1  2  0  0  0  0
 11  1  2  0  0  0  0
 12  3  1  0  0  0  0
 13  7  1  0  0  0  0
 14  8  2  0  0  0  0
 15  7  2  0  0  0  0
 16  4  2  0  0  0  0
 17 13  1  0  0  0  0
 18 15  1  0  0  0  0
 19  5  1  0  0  0  0
 20 14  1  0  0  0  0
 21 25  2  0  0  0  0
 22 19  1  0  0  0  0
 23 19  2  0  0  0  0
 24 22  2  0  0  0  0
 25 23  1  0  0  0  0
 26  6  1  0  0  0  0
 27  6  1  0  0  0  0
 28 21  1  0  0  0  0
 29 28  1  0  0  0  0
 30 27  1  0  0  0  0
 31 26  1  0  0  0  0
 32 30  1  0  0  0  0
 24 21  1  0  0  0  0
 20 12  2  0  0  0  0
 32 31  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (2,136)
2136

>  <Formula> (2,136)
C23H25N3O5S

>  <MolWeight> (2,136)
455.5267

>  <COMPOUND_NAME> (2,136)
WAY-625328

>  <BAR_CODE_NO> (2,136)
90459515

$$$$
WAY-625332
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.3583   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583    0.8083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4250    0.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458    0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6208   -1.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6208    1.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0625   -1.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4250   -0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208   -2.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4208    1.7625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4208   -1.4792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0625    2.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1250   -2.8792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7417   -1.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292   -3.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7417    2.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208    2.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917   -2.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917    2.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292    3.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0417   -3.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0417    3.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  8  2  0  0  0  0
  4  1  2  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  5  1  0  0  0  0
  8  1  1  0  0  0  0
  9  7  2  0  0  0  0
 10  6  2  0  0  0  0
 11  5  2  0  0  0  0
 12  6  1  0  0  0  0
 13  9  1  0  0  0  0
 14  7  1  0  0  0  0
 15  9  1  0  0  0  0
 16 12  1  0  0  0  0
 17 12  2  0  0  0  0
 18 14  2  0  0  0  0
 19 16  2  0  0  0  0
 20 17  1  0  0  0  0
 21 18  1  0  0  0  0
 22 20  2  0  0  0  0
  2  3  1  0  0  0  0
 21 15  2  0  0  0  0
 22 19  1  0  0  0  0
M  END
>  <Mol_ID> (2,137)
2137

>  <Formula> (2,137)
C17H12N2O3

>  <MolWeight> (2,137)
292.28878

>  <COMPOUND_NAME> (2,137)
WAY-625332

>  <BAR_CODE_NO> (2,137)
90459519

$$$$
WAY-625350
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
    2.1875    0.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.9042    0.8125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4750   -0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2458   -0.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6000   -0.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7750    1.1208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9042    1.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6167    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3833   -0.8375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2458   -0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0333   -1.0917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417   -0.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0333    0.2458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5208   -0.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5333   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708   -2.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4750   -0.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417   -0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5333    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3292    0.8125    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6167    2.0500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.8125   -0.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1000   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3292    1.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8125   -0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6167    2.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0417    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3 13  1  0  0  0  0
  4  1  1  0  0  0  0
  5 16  1  0  0  0  0
  6  1  2  0  0  0  0
  7  1  2  0  0  0  0
  8  2  1  0  0  0  0
  9  2  1  0  0  0  0
 10  3  1  0  0  0  0
 11 22  1  0  0  0  0
 12  5  1  0  0  0  0
 13 20  1  0  0  0  0
 14 11  1  0  0  0  0
 15 12  1  0  0  0  0
 16 25  2  0  0  0  0
 17  3  2  0  0  0  0
 18  4  2  0  0  0  0
 19  4  1  0  0  0  0
 20 19  2  0  0  0  0
 21 18  1  0  0  0  0
 22 28  2  0  0  0  0
 23  9  1  0  0  0  0
 24  8  1  0  0  0  0
 25 26  1  0  0  0  0
 26 10  1  0  0  0  0
 27 23  1  0  0  0  0
 28 25  1  0  0  0  0
 29 24  1  0  0  0  0
 30 23  1  0  0  0  0
 13 21  2  0  0  0  0
 24 27  1  0  0  0  0
 11  5  2  0  0  0  0
 15 14  1  0  0  0  0
M  END
>  <Mol_ID> (2,138)
2138

>  <Formula> (2,138)
C22H26N2O5S

>  <MolWeight> (2,138)
430.51724

>  <COMPOUND_NAME> (2,138)
WAY-625350

>  <BAR_CODE_NO> (2,138)
90459537

$$$$
WAY-625365
csChFnd80/06171916322D

 33 37  0  0  0  0  0  0  0  0999 V2000
    1.1417   -0.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.8542   -0.0875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292   -0.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7125   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2875    0.7375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4333   -0.9125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000   -0.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7292    0.2208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5542   -1.2125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5750   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8542    0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5708   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5750    1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2875   -0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1458   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8583   -0.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7125    0.3250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5708    0.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0042    1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8583    0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1458    0.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292   -1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000   -1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3583   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833   -2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8458   -0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3583    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7167    0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0042    1.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7167    2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4292    1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4292    1.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  7  1  0  0  0  0
  5 14  1  0  0  0  0
  6  4  1  0  0  0  0
  7  8  2  0  0  0  0
  8  3  1  0  0  0  0
  9  1  2  0  0  0  0
 10  1  2  0  0  0  0
 11  2  1  0  0  0  0
 12  2  1  0  0  0  0
 13 17  1  0  0  0  0
 14 12  1  0  0  0  0
 15 11  1  0  0  0  0
 16  6  1  0  0  0  0
 17 16  2  0  0  0  0
 18  4  2  0  0  0  0
 19 21  1  0  0  0  0
 20  5  1  0  0  0  0
 21 22  2  0  0  0  0
 22 16  1  0  0  0  0
 23  3  2  0  0  0  0
 24 26  2  0  0  0  0
 25 13  1  0  0  0  0
 26 23  1  0  0  0  0
 27 25  1  0  0  0  0
 28 19  1  0  0  0  0
 29 20  1  0  0  0  0
 30 20  2  0  0  0  0
 31 30  1  0  0  0  0
 32 29  2  0  0  0  0
 33 31  2  0  0  0  0
  5 15  1  0  0  0  0
 24  7  1  0  0  0  0
 33 32  1  0  0  0  0
 19 13  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (2,139)
2139

>  <Formula> (2,139)
C26H27N3O3S

>  <MolWeight> (2,139)
461.57588

>  <COMPOUND_NAME> (2,139)
WAY-625365

>  <BAR_CODE_NO> (2,139)
90459553

$$$$
WAY-625370
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
    1.7167   -1.0917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7167   -1.9167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7167   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2917    1.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208    0.9708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8917   -1.0917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5417   -1.0917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042    0.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042    0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5708    1.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1375    1.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8500    0.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2917    2.2083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042   -2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5708    2.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8500    2.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1375    2.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4375   -2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4375    0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7167    1.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3500    1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4375    0.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8333    1.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3500    2.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042   -3.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2917   -1.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208   -2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2917   -3.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208   -3.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  8  1  0  0  0  0
  5  4  1  0  0  0  0
  6  1  2  0  0  0  0
  7  1  2  0  0  0  0
  8  9  1  0  0  0  0
  9  3  2  0  0  0  0
 10 12  1  0  0  0  0
 11  5  1  0  0  0  0
 12 11  2  0  0  0  0
 13  4  2  0  0  0  0
 14  2  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 11  1  0  0  0  0
 18  2  1  0  0  0  0
 19  3  1  0  0  0  0
 20 22  1  0  0  0  0
 21 10  1  0  0  0  0
 22 19  2  0  0  0  0
 23 21  1  0  0  0  0
 24 15  1  0  0  0  0
 25 14  2  0  0  0  0
 26 14  1  0  0  0  0
 27 26  2  0  0  0  0
 28 25  1  0  0  0  0
 29 27  1  0  0  0  0
 20  8  2  0  0  0  0
 29 28  2  0  0  0  0
 15 10  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (2,140)
2140

>  <Formula> (2,140)
C23H22N2O3S

>  <MolWeight> (2,140)
406.49738

>  <COMPOUND_NAME> (2,140)
WAY-625370

>  <BAR_CODE_NO> (2,140)
90459558

$$$$
WAY-625371
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.0250    1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583    0.3458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333    1.7958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0250   -0.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8042    0.7583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8042   -0.0667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167    2.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333   -1.1042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667    3.1958    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.1292    2.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208    3.4583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167   -1.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458   -4.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667   -2.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958   -4.8542    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.3625   -3.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958   -3.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7375   -2.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6167   -3.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208    4.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542    3.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667    4.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  2  0  0  0  0
  6  5  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  1  0  0  0  0
  9  7  1  0  0  0  0
 10  7  2  0  0  0  0
 11  9  1  0  0  0  0
 12  8  1  0  0  0  0
 13 16  1  0  0  0  0
 14 12  1  0  0  0  0
 15 13  1  0  0  0  0
 16 19  2  0  0  0  0
 17 18  1  0  0  0  0
 18 14  2  0  0  0  0
 19 14  1  0  0  0  0
 20 11  1  0  0  0  0
 21  9  1  0  0  0  0
 22 21  1  0  0  0  0
  6  4  2  0  0  0  0
 20 22  1  0  0  0  0
 13 17  2  0  0  0  0
M  END
>  <Mol_ID> (2,141)
2141

>  <Formula> (2,141)
C14H14ClN3O2S2

>  <MolWeight> (2,141)
355.86286

>  <COMPOUND_NAME> (2,141)
WAY-625371

>  <BAR_CODE_NO> (2,141)
90459559

$$$$
WAY-625379
csChFnd80/06171916322D

 29 31  0  0  0  0  0  0  0  0999 V2000
   -2.4458    1.4958    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9958    2.1083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7458    2.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667   -0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9583    3.1458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8958    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2375   -0.9625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9292   -1.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4792   -1.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2333    3.5583    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.2875   -1.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8333    2.0458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0583    0.9375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167   -1.4042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.8417   -2.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9583    3.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -0.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7458    4.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2250   -2.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1500    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0875    1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7875   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5792   -3.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5417   -0.8875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7792   -3.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958   -0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333    0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1375   -3.6792    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.8667   -2.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  7  1  0  0  0  0
  5  3  2  0  0  0  0
  6  1  1  0  0  0  0
  7 22  1  0  0  0  0
  8 14  1  0  0  0  0
  9  8  1  0  0  0  0
 10  3  1  0  0  0  0
 11  9  2  0  0  0  0
 12  1  2  0  0  0  0
 13  1  2  0  0  0  0
 14  4  1  0  0  0  0
 15 11  1  0  0  0  0
 16  5  1  0  0  0  0
 17  4  2  0  0  0  0
 18 10  1  0  0  0  0
 19  9  1  0  0  0  0
 20  6  2  0  0  0  0
 21  6  1  0  0  0  0
 22 27  1  0  0  0  0
 23 25  1  0  0  0  0
 24 11  1  0  0  0  0
 25 19  2  0  0  0  0
 26 20  1  0  0  0  0
 27 21  2  0  0  0  0
 28 23  1  0  0  0  0
 29 14  1  0  0  0  0
 22 26  2  0  0  0  0
 18 16  2  0  0  0  0
 23 15  2  0  0  0  0
M  END
>  <Mol_ID> (2,142)
2142

>  <Formula> (2,142)
C18H15Cl2N3O4S2

>  <MolWeight> (2,142)
472.3654

>  <COMPOUND_NAME> (2,142)
WAY-625379

>  <BAR_CODE_NO> (2,142)
90459567

$$$$
WAY-625382
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -0.0458    2.5458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000    1.7583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2125    3.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8083    0.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0625   -0.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2750    3.9958    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9917   -5.0542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7417    2.2875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8333    2.7958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083    1.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542    1.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4417   -4.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917    3.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3583    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2125    4.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5125   -1.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8708   -0.7667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917    4.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7708   -1.9917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8917   -3.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2125   -2.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792   -4.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417   -3.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4708   -3.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917   -2.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4 14  1  0  0  0  0
  5  4  1  0  0  0  0
  6  3  1  0  0  0  0
  7 12  3  0  0  0  0
  8  1  2  0  0  0  0
  9  1  2  0  0  0  0
 10  2  1  0  0  0  0
 11  2  1  0  0  0  0
 12 21  1  0  0  0  0
 13  3  2  0  0  0  0
 14 11  1  0  0  0  0
 15 10  1  0  0  0  0
 16  6  1  0  0  0  0
 17  5  1  0  0  0  0
 18  5  2  0  0  0  0
 19 13  1  0  0  0  0
 20 17  1  0  0  0  0
 21 24  2  0  0  0  0
 22 20  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 22  1  0  0  0  0
 26 22  2  0  0  0  0
 16 19  2  0  0  0  0
  4 15  1  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (2,143)
2143

>  <Formula> (2,143)
C17H17N3O4S2

>  <MolWeight> (2,143)
391.46458

>  <COMPOUND_NAME> (2,143)
WAY-625382

>  <BAR_CODE_NO> (2,143)
90459570

$$$$
WAY-625396
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.0000   -1.8375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208   -0.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333   -1.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333   -1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4250    1.4625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4250    0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125   -0.6000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208   -3.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125    0.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1417    0.2250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1458   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1667    1.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792    1.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1458   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8583   -1.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000    2.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542    2.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8583   -1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8375    3.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0125    3.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  8  1  0  0  0  0
  8 11  1  0  0  0  0
  9  3  1  0  0  0  0
 10  2  2  0  0  0  0
 11  9  1  0  0  0  0
 12  8  2  0  0  0  0
 13  5  1  0  0  0  0
 14  7  1  0  0  0  0
 15  7  1  0  0  0  0
 16  6  1  0  0  0  0
 17 13  2  0  0  0  0
 18 15  1  0  0  0  0
 19 14  1  0  0  0  0
 20 16  2  0  0  0  0
 21 19  1  0  0  0  0
 22 18  1  0  0  0  0
  5  6  2  0  0  0  0
 17 20  1  0  0  0  0
 22 21  1  0  0  0  0
M  END
>  <Mol_ID> (2,144)
2144

>  <Formula> (2,144)
C16H19N3O2S

>  <MolWeight> (2,144)
317.40596

>  <COMPOUND_NAME> (2,144)
WAY-625396

>  <BAR_CODE_NO> (2,144)
90459585

$$$$
WAY-625453
csChFnd80/06171916322D

 33 37  0  0  0  0  0  0  0  0999 V2000
    0.5625    1.1250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2958   -1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1583    0.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2750    1.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5833   -2.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2958   -3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5833   -1.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0125   -2.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0125   -1.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2750    2.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9917    2.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5833   -0.1125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2958   -0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9750    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1500    1.8458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1583   -0.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708    1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708   -1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7042    2.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9917    3.6083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9917    1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7250   -3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4167    2.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7042    1.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5833    0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708   -0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1583   -1.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1583   -2.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7042    4.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4167    3.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5625   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2750   -2.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 13  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  7  2  0  0  0  0
  6  8  1  0  0  0  0
  7  2  1  0  0  0  0
  8  9  1  0  0  0  0
  9  2  2  0  0  0  0
 10  4  2  0  0  0  0
 11 10  1  0  0  0  0
 12 26  1  0  0  0  0
 13 12  1  0  0  0  0
 14  1  2  0  0  0  0
 15  1  2  0  0  0  0
 16  3  1  0  0  0  0
 17  3  1  0  0  0  0
 18  7  1  0  0  0  0
 19 25  1  0  0  0  0
 20  5  1  0  0  0  0
 21 11  1  0  0  0  0
 22  4  1  0  0  0  0
 23  8  2  0  0  0  0
 24 19  1  0  0  0  0
 25 22  2  0  0  0  0
 26 17  1  0  0  0  0
 27 16  1  0  0  0  0
 28 18  2  0  0  0  0
 29 28  1  0  0  0  0
 30 21  1  0  0  0  0
 31 24  1  0  0  0  0
 32 29  1  0  0  0  0
 33 32  1  0  0  0  0
 27 12  1  0  0  0  0
 19 11  2  0  0  0  0
 30 31  1  0  0  0  0
  5  6  1  0  0  0  0
 29 20  2  0  0  0  0
M  END
>  <Mol_ID> (2,145)
2145

>  <Formula> (2,145)
C24H26N2O6S

>  <MolWeight> (2,145)
470.53804

>  <COMPOUND_NAME> (2,145)
WAY-625453

>  <BAR_CODE_NO> (2,145)
90459643

$$$$
WAY-625474
csChFnd80/06171916322D

 32 35  0  0  0  0  0  0  0  0999 V2000
    2.2750   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9917    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2958    0.0833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5625    0.0833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7250    0.9083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417   -0.3292    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7042   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2750   -1.1542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2958    0.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0125   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7250    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0125    1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833   -1.1542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4458    1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417   -1.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7042   -1.1542    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.9917    0.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4167    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1583    0.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4458    2.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292   -1.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5625   -1.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7042    1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1583    2.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8708    1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292   -2.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5625   -2.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4167    0.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8708    2.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417   -2.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  1  0  0  0  0
  4  8  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7 13  1  0  0  0  0
  8  6  1  0  0  0  0
  9  3  2  0  0  0  0
 10  1  2  0  0  0  0
 11  5  1  0  0  0  0
 12  5  1  0  0  0  0
 13 12  1  0  0  0  0
 14 11  1  0  0  0  0
 15  2  2  0  0  0  0
 16  7  1  0  0  0  0
 17  8  1  0  0  0  0
 18  9  1  0  0  0  0
 19  3  1  0  0  0  0
 20  9  1  0  0  0  0
 21 16  2  0  0  0  0
 22 16  1  0  0  0  0
 23 17  1  0  0  0  0
 24 17  2  0  0  0  0
 25 19  2  0  0  0  0
 26 22  2  0  0  0  0
 27 21  1  0  0  0  0
 28 23  2  0  0  0  0
 29 24  1  0  0  0  0
 30 25  1  0  0  0  0
 31 26  1  0  0  0  0
 32 29  2  0  0  0  0
 30 20  2  0  0  0  0
 32 28  1  0  0  0  0
  7 14  1  0  0  0  0
 31 27  2  0  0  0  0
M  END
>  <Mol_ID> (2,146)
2146

>  <Formula> (2,146)
C26H26ClN3O2

>  <MolWeight> (2,146)
447.95654

>  <COMPOUND_NAME> (2,146)
WAY-625474

>  <BAR_CODE_NO> (2,146)
90459664

$$$$
WAY-625498
csChFnd80/06171916322D

 32 35  0  0  0  0  0  0  0  0999 V2000
   -1.6333    0.5333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0792   -1.9417    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.0792   -1.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208    0.1208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3458    0.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5125   -0.7042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2250   -1.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8000   -0.7042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208    1.2458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0458   -0.1792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083    0.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0625    0.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3667   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3667   -2.3542    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.8000   -2.3542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083   -1.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5125    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6542   -1.1167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7750    0.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9417   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3458    1.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2250   -1.9417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7750    1.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0625    2.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8000    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4958    0.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3667    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4958    2.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0792    0.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2083    0.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2083    1.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3 14  2  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6 17  1  0  0  0  0
  7  6  1  0  0  0  0
  8  3  1  0  0  0  0
  9  1  2  0  0  0  0
 10  1  2  0  0  0  0
 11  4  1  0  0  0  0
 12  4  1  0  0  0  0
 13  5  2  0  0  0  0
 14 19  1  0  0  0  0
 15  2  1  0  0  0  0
 16  2  2  0  0  0  0
 17 12  1  0  0  0  0
 18 11  1  0  0  0  0
 19 21  1  0  0  0  0
 20 13  1  0  0  0  0
 21  7  1  0  0  0  0
 22  5  1  0  0  0  0
 23  7  2  0  0  0  0
 24 25  1  0  0  0  0
 25 22  2  0  0  0  0
 26 30  1  0  0  0  0
 27 20  1  0  0  0  0
 28 14  1  0  0  0  0
 29 24  1  0  0  0  0
 30 28  2  0  0  0  0
 31 27  2  0  0  0  0
 32 29  2  0  0  0  0
 18  6  1  0  0  0  0
 24 20  2  0  0  0  0
 31 32  1  0  0  0  0
 26  8  2  0  0  0  0
M  END
>  <Mol_ID> (2,147)
2147

>  <Formula> (2,147)
C21H20N4O6S

>  <MolWeight> (2,147)
456.4717

>  <COMPOUND_NAME> (2,147)
WAY-625498

>  <BAR_CODE_NO> (2,147)
90459688

$$$$
WAY-625531
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -2.3583   -0.6417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8708    0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0875   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    0.4833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833   -1.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7500   -0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8708   -1.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9292   -0.7375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8917    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208    0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1833   -0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5958    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042    0.4083    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.2292    0.8583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4125    0.1583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5042   -0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3375   -0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2583    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0500    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    0.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2167   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708    1.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000    1.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1208    0.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1208   -2.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5  9  1  0  0  0  0
  6  8  2  0  0  0  0
  7 10  1  0  0  0  0
  8  1  1  0  0  0  0
  9 15  1  0  0  0  0
 10  9  2  0  0  0  0
 11  4  1  0  0  0  0
 12  2  1  0  0  0  0
 13  1  1  0  0  0  0
 14 13  1  0  0  0  0
 15 19  1  0  0  0  0
 16 11  1  0  0  0  0
 17 14  1  0  0  0  0
 18 11  2  0  0  0  0
 19 12  1  0  0  0  0
 20 14  2  0  0  0  0
 21 16  1  0  0  0  0
 22 17  1  0  0  0  0
 23 18  1  0  0  0  0
 24 20  1  0  0  0  0
 25 12  2  0  0  0  0
 26  3  1  0  0  0  0
 27  8  1  0  0  0  0
  2  6  1  0  0  0  0
 22 24  2  0  0  0  0
  4  7  2  0  0  0  0
 21 23  2  0  0  0  0
M  END
>  <Mol_ID> (2,148)
2148

>  <Formula> (2,148)
C19H17N3O4S

>  <MolWeight> (2,148)
383.42098

>  <COMPOUND_NAME> (2,148)
WAY-625531

>  <BAR_CODE_NO> (2,148)
90459721

$$$$
WAY-625533
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.6417   -0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9333   -0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3542   -0.1750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9333    0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2125   -0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6417   -1.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2125    1.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7875   -0.5875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708   -0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667   -0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7875   -0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7125   -0.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2083    0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7125    0.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7875    0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    1.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2167   -0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2167    0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  1  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  2  0  0  0  0
  6  1  2  0  0  0  0
  7 12  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  1  1  0  0  0  0
 11  3  1  0  0  0  0
 12  8  1  0  0  0  0
 13 11  1  0  0  0  0
 14  2  1  0  0  0  0
 15 14  1  0  0  0  0
 16  4  1  0  0  0  0
 17 13  1  0  0  0  0
 18 13  2  0  0  0  0
 19 18  1  0  0  0  0
 20 17  2  0  0  0  0
 21 19  2  0  0  0  0
  4  2  2  0  0  0  0
 21 20  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (2,149)
2149

>  <Formula> (2,149)
C18H19NO2

>  <MolWeight> (2,149)
281.34896

>  <COMPOUND_NAME> (2,149)
WAY-625533

>  <BAR_CODE_NO> (2,149)
90459723

$$$$
WAY-625535
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
    2.0759   -0.2963    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3345   -1.0756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2966   -0.0514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5517    0.3762    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7759   -1.6894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1345   -1.2445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2897    0.7762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6379   -0.5342    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0759    1.0244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3724    0.3762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0379   -2.4721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3897   -2.0204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6241    1.2486    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3207    1.8106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8379   -2.6376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0862    0.8382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000    1.2486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0862    0.0106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5103    0.8382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2241    1.2486    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9414    0.8382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6621    1.2624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9414    0.0244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3759    0.8486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6621   -0.3894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3759    0.0244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0897   -0.3825    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  2  0  0  0  0
 26 27  1  0  0  0  0
  7  9  2  0  0  0  0
 12 15  2  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (2,150)
2150

>  <Formula> (2,150)
C20H20ClN3O2S

>  <MolWeight> (2,150)
401.9097

>  <COMPOUND_NAME> (2,150)
WAY-625535

>  <BAR_CODE_NO> (2,150)
90459725

$$$$
WAY-625547
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
   -1.9083   -1.7750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792    3.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792    2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1667    3.4333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1875   -1.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1667    2.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6542    2.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417   -0.5375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6667    1.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6667    3.5875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9542   -0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9542    2.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6208   -2.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3125   -1.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4875   -2.4875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1875   -0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4708   -1.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9542    3.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6667    1.1125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4708   -0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417   -1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9542    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6667   -0.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3333   -1.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6208   -3.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0458   -3.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4250    1.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0458   -2.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3333   -3.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7583   -3.4250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.4792    2.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  9  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  6  2  0  0  0  0
  8 21  1  0  0  0  0
  9 19  1  0  0  0  0
 10 18  2  0  0  0  0
 11  8  1  0  0  0  0
 12  9  2  0  0  0  0
 13  1  1  0  0  0  0
 14  1  2  0  0  0  0
 15  1  2  0  0  0  0
 16  5  1  0  0  0  0
 17  5  1  0  0  0  0
 18 12  1  0  0  0  0
 19 22  1  0  0  0  0
 20 16  1  0  0  0  0
 21 17  1  0  0  0  0
 22 11  1  0  0  0  0
 23 11  2  0  0  0  0
 24 13  1  0  0  0  0
 25 13  2  0  0  0  0
 26 29  2  0  0  0  0
 27  6  1  0  0  0  0
 28 24  2  0  0  0  0
 29 25  1  0  0  0  0
 30 26  1  0  0  0  0
 31  7  1  0  0  0  0
 26 28  1  0  0  0  0
 20  8  1  0  0  0  0
 10  2  1  0  0  0  0
  4  7  1  0  0  0  0
M  END
>  <Mol_ID> (2,151)
2151

>  <Formula> (2,151)
C20H21ClN4O4S2

>  <MolWeight> (2,151)
480.98814

>  <COMPOUND_NAME> (2,151)
WAY-625547

>  <BAR_CODE_NO> (2,151)
90459737

$$$$
WAY-625610
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -0.4250   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9125   -1.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9125    0.2750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6958   -0.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6958    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000   -0.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583   -1.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8125    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6375    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0500    1.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7125    1.7958    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167    2.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2083   -2.4542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000    1.0375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8667    1.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0417    1.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1500   -2.0167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4833   -1.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4833    0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9708   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13  7  2  0  0  0  0
 14  8  2  0  0  0  0
 15 10  2  0  0  0  0
 16 15  1  0  0  0  0
 17  7  1  0  0  0  0
 18  4  1  0  0  0  0
 19  5  1  0  0  0  0
 20 19  1  0  0  0  0
  4  5  2  0  0  0  0
 18 20  1  0  0  0  0
 12 16  2  0  0  0  0
M  END
>  <Mol_ID> (2,152)
2152

>  <Formula> (2,152)
C14H14N2O2S2

>  <MolWeight> (2,152)
306.40316

>  <COMPOUND_NAME> (2,152)
WAY-625610

>  <BAR_CODE_NO> (2,152)
90459803

$$$$
WAY-625658
csChFnd80/06171916322D

 25 26  0  0  0  0  0  0  0  0999 V2000
    0.8250    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1125    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5417    2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1125    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1125   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5417    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0333   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0333   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    4.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542    4.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5417    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  9  1  0  0  0  0
  6  1  2  0  0  0  0
  7  3  2  0  0  0  0
  8  5  2  0  0  0  0
  9 11  1  0  0  0  0
 10  5  1  0  0  0  0
 11  3  1  0  0  0  0
 12 10  1  0  0  0  0
 13 18  2  0  0  0  0
 14  4  1  0  0  0  0
 15 12  1  0  0  0  0
 16 12  2  0  0  0  0
 17 15  2  0  0  0  0
 18 16  1  0  0  0  0
 19 13  1  0  0  0  0
 20 19  1  0  0  0  0
 21 14  1  0  0  0  0
 22 14  1  0  0  0  0
 23 22  1  0  0  0  0
 24 21  1  0  0  0  0
 25 23  1  0  0  0  0
 25 24  1  0  0  0  0
 17 13  1  0  0  0  0
M  END
>  <Mol_ID> (2,153)
2153

>  <Formula> (2,153)
C18H24N2O5

>  <MolWeight> (2,153)
348.39356

>  <COMPOUND_NAME> (2,153)
WAY-625658

>  <BAR_CODE_NO> (2,153)
90459851

$$$$
WAY-625668
csChFnd80/06171916322D

 31 35  0  0  0  0  0  0  0  0999 V2000
   -1.4208    2.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9125    2.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083    1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1250   -1.8667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7083    2.4833    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.7083    1.6458    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.6458    1.3875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.5333    2.6958    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5042   -2.6125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083    1.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0208    1.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0208    2.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2125    1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0583    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7417   -1.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667   -2.2542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8792   -1.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7583    0.5625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458    3.4458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6167    1.0875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208    0.3583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1875   -0.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792    0.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5375   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042    0.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -3.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3292   -2.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125   -3.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417   -4.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2667   -4.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4 15  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  6  1  0  0  0  0
  8  5  1  0  0  0  0
  9  4  1  0  0  0  0
 10  1  1  0  0  0  0
 11  7  1  0  0  0  0
 12  8  1  0  0  0  0
 13 10  1  0  0  0  0
 14  7  1  0  0  0  0
 15 23  2  0  0  0  0
 16  4  2  0  0  0  0
 17  4  2  0  0  0  0
 18  3  2  0  0  0  0
 19  2  2  0  0  0  0
 20 13  1  0  0  0  0
 21 13  2  0  0  0  0
 22 25  2  0  0  0  0
 23 26  1  0  0  0  0
 24 20  1  0  0  0  0
 25 24  1  0  0  0  0
 26 24  2  0  0  0  0
 27  9  1  0  0  0  0
 28  9  1  0  0  0  0
 29 28  1  0  0  0  0
 30 27  1  0  0  0  0
 31 29  1  0  0  0  0
  6  5  1  0  0  0  0
 14  8  1  0  0  0  0
 12 11  2  0  0  0  0
 15 22  1  0  0  0  0
 31 30  1  0  0  0  0
M  END
>  <Mol_ID> (2,154)
2154

>  <Formula> (2,154)
C22H25N3O5S

>  <MolWeight> (2,154)
443.516

>  <COMPOUND_NAME> (2,154)
WAY-625668

>  <BAR_CODE_NO> (2,154)
90459861

$$$$
WAY-625678
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -3.2208   -0.8625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7875   -0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542   -0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5083   -0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0750   -0.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9292    0.7875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667   -0.8625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9333   -0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583   -0.8625    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.2125    0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7875   -1.6875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542    0.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5083    0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9333    0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3542    1.6125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2208    0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2125   -0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792   -0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792    0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6417    0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9292    1.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6417    2.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3542    0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6458   -0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583   -1.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6458    0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3625   -0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3625    0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  9  1  0  0  0  0
  4  1  2  0  0  0  0
  5  2  1  0  0  0  0
  6 10  1  0  0  0  0
  7  3  1  0  0  0  0
  8  1  1  0  0  0  0
  9  5  1  0  0  0  0
 10 18  2  0  0  0  0
 11  2  2  0  0  0  0
 12  3  2  0  0  0  0
 13  4  1  0  0  0  0
 14  8  2  0  0  0  0
 15 24  1  0  0  0  0
 16 14  1  0  0  0  0
 17 20  2  0  0  0  0
 18 21  1  0  0  0  0
 19  7  1  0  0  0  0
 20 19  1  0  0  0  0
 21 19  2  0  0  0  0
 22  6  1  0  0  0  0
 23  6  1  0  0  0  0
 24 23  1  0  0  0  0
 25 22  1  0  0  0  0
 26  8  1  0  0  0  0
 27  9  1  0  0  0  0
 28 14  1  0  0  0  0
 29 26  2  0  0  0  0
 30 29  1  0  0  0  0
 16 13  2  0  0  0  0
 30 28  2  0  0  0  0
 10 17  1  0  0  0  0
 15 25  1  0  0  0  0
M  END
>  <Mol_ID> (2,155)
2155

>  <Formula> (2,155)
C23H23N3O4

>  <MolWeight> (2,155)
405.44642

>  <COMPOUND_NAME> (2,155)
WAY-625678

>  <BAR_CODE_NO> (2,155)
90459871

$$$$
WAY-625679
csChFnd80/06171916322D

 32 35  0  0  0  0  0  0  0  0999 V2000
   -3.0583    1.2458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0292   -1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3000   -1.4250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8500    0.4458    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.3000   -0.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1000    1.5458    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5167   -0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1583    1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5167   -1.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4750    1.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2042   -1.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3958    0.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6333    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3375   -0.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583    0.4625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5500    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0708    0.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6333    2.0708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8333   -1.0917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000   -0.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7375    0.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7375   -1.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9792   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5667    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5667   -1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7833    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2625    0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2625   -2.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9833   -0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0958   -0.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 12  1  0  0  0  0
  3  9  2  0  0  0  0
  4  1  1  0  0  0  0
  5  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  2  2  0  0  0  0
  8  1  1  0  0  0  0
  9  2  1  0  0  0  0
 10 16  1  0  0  0  0
 11  1  1  0  0  0  0
 12 22  1  0  0  0  0
 13  4  1  0  0  0  0
 14 15  1  0  0  0  0
 15  4  1  0  0  0  0
 16 18  1  0  0  0  0
 17 10  1  0  0  0  0
 18  8  1  0  0  0  0
 19  6  1  0  0  0  0
 20  8  2  0  0  0  0
 21 10  2  0  0  0  0
 22 25  1  0  0  0  0
 23 17  1  0  0  0  0
 24 17  2  0  0  0  0
 25 27  2  0  0  0  0
 26 23  2  0  0  0  0
 27 24  1  0  0  0  0
 28  6  1  0  0  0  0
 29  7  1  0  0  0  0
 30  9  1  0  0  0  0
 31 14  1  0  0  0  0
 32 14  1  0  0  0  0
 13  6  1  0  0  0  0
 19 14  1  0  0  0  0
 26 25  1  0  0  0  0
  5  3  1  0  0  0  0
M  END
>  <Mol_ID> (2,156)
2156

>  <Formula> (2,156)
C25H32N2O5

>  <MolWeight> (2,156)
440.53198

>  <COMPOUND_NAME> (2,156)
WAY-625679

>  <BAR_CODE_NO> (2,156)
90459872

$$$$
WAY-625681
csChFnd80/06171916322D

 32 35  0  0  0  0  0  0  0  0999 V2000
    2.4042    1.0708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4042    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4042    1.8958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6917   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6917   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8833   -1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792   -1.4042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5958   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0208   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2292    1.0708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5792    1.0708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3083   -1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0208   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8083   -1.2417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1625   -0.9917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8083    0.0875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2958   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4042   -1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1250   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8833   -2.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5958   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667   -0.1667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3083    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1250   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4500   -1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1250    2.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6917    2.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4042   -2.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6917    3.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1250    3.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4042    3.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5  2  2  0  0  0  0
  6 16  1  0  0  0  0
  7  4  1  0  0  0  0
  8  6  1  0  0  0  0
  9 13  1  0  0  0  0
 10  1  2  0  0  0  0
 11  1  2  0  0  0  0
 12  7  1  0  0  0  0
 13  8  2  0  0  0  0
 14 24  1  0  0  0  0
 15  9  1  0  0  0  0
 16 26  1  0  0  0  0
 17 14  1  0  0  0  0
 18 15  1  0  0  0  0
 19 25  1  0  0  0  0
 20  2  1  0  0  0  0
 21  6  2  0  0  0  0
 22  8  1  0  0  0  0
 23 12  2  0  0  0  0
 24 22  2  0  0  0  0
 25 20  2  0  0  0  0
 26 12  1  0  0  0  0
 27  3  1  0  0  0  0
 28  3  1  0  0  0  0
 29 19  1  0  0  0  0
 30 28  1  0  0  0  0
 31 27  1  0  0  0  0
 32 30  1  0  0  0  0
 32 31  1  0  0  0  0
 19  4  2  0  0  0  0
 14  9  2  0  0  0  0
 18 17  1  0  0  0  0
M  END
>  <Mol_ID> (2,157)
2157

>  <Formula> (2,157)
C22H24N2O7S

>  <MolWeight> (2,157)
460.50016

>  <COMPOUND_NAME> (2,157)
WAY-625681

>  <BAR_CODE_NO> (2,157)
90459874

$$$$
WAY-625695
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
    0.7667    0.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5542    0.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667    1.1333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042   -0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5542    1.3875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000   -0.1750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3250   -1.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0375    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6500    0.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5917   -0.9792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042   -2.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5917   -1.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208   -0.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000    1.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7375    0.9833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2333   -1.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083   -1.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8125   -2.4500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0750    0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7458   -0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5542   -2.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1875    2.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6500    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6583   -1.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208    1.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833    2.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2333    2.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  4  2  0  0  0  0
  8  2  1  0  0  0  0
  9  6  1  0  0  0  0
 10  4  1  0  0  0  0
 11  7  1  0  0  0  0
 12 10  1  0  0  0  0
 13  9  1  0  0  0  0
 14  3  1  0  0  0  0
 15  9  2  0  0  0  0
 16 13  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 13  1  0  0  0  0
 20 19  2  0  0  0  0
 21 11  1  0  0  0  0
 22 14  1  0  0  0  0
 23 14  2  0  0  0  0
 24 20  1  0  0  0  0
 25 23  1  0  0  0  0
 26 22  2  0  0  0  0
 27 25  2  0  0  0  0
  5  8  2  0  0  0  0
 12 11  2  0  0  0  0
 27 26  1  0  0  0  0
 24 17  2  0  0  0  0
M  END
>  <Mol_ID> (2,158)
2158

>  <Formula> (2,158)
C20H15FN4OS

>  <MolWeight> (2,158)
378.4227032

>  <COMPOUND_NAME> (2,158)
WAY-625695

>  <BAR_CODE_NO> (2,158)
90459888

$$$$
WAY-625714
csChFnd80/06171916322D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -0.6875   -0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083    0.3583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5125   -0.3125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083   -0.9792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792   -0.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9250    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917   -1.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7458    0.4875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917    0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042   -0.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7250   -1.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5875    1.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9208    1.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4417   -0.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2083    1.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  2  0  0  0  0
  8  5  1  0  0  0  0
  9  7  1  0  0  0  0
 10  6  1  0  0  0  0
 11  8  2  0  0  0  0
 12 10  2  0  0  0  0
 13 11  1  0  0  0  0
 14  7  1  0  0  0  0
 15  9  1  0  0  0  0
 16 13  1  0  0  0  0
 17 14  1  0  0  0  0
  5  6  2  0  0  0  0
 15 17  1  0  0  0  0
 12 11  1  0  0  0  0
M  END
>  <Mol_ID> (2,159)
2159

>  <Formula> (2,159)
C12H13N3OS

>  <MolWeight> (2,159)
247.31612

>  <COMPOUND_NAME> (2,159)
WAY-625714

>  <BAR_CODE_NO> (2,159)
90459907

$$$$
WAY-625715
csChFnd80/06171916322D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.3542   -1.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292   -0.7667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3625   -0.8167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0750    1.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3625    1.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3625    0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0750    0.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2917   -2.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8167   -1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7958    1.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3625    2.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1250   -1.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8917   -2.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7958    2.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0750    2.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7125   -2.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  7  1  0  0  0  0
  5  4  2  0  0  0  0
  6  3  1  0  0  0  0
  7  6  1  0  0  0  0
  8  1  1  0  0  0  0
  9  2  1  0  0  0  0
 10  4  1  0  0  0  0
 11  5  1  0  0  0  0
 12  9  1  0  0  0  0
 13  8  1  0  0  0  0
 14 10  1  0  0  0  0
 15 14  1  0  0  0  0
 16 13  1  0  0  0  0
 12 16  1  0  0  0  0
 15 11  1  0  0  0  0
M  END
>  <Mol_ID> (2,160)
2160

>  <Formula> (2,160)
C14H24N2

>  <MolWeight> (2,160)
220.35376

>  <COMPOUND_NAME> (2,160)
WAY-625715

>  <BAR_CODE_NO> (2,160)
90459908

$$$$
WAY-625722
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.3125    2.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4750    3.0083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917    3.4208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3125    4.0792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4750    3.8333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667   -0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0542   -0.5042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208   -0.0917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667    1.9708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167   -1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667    0.5708    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.0542    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958   -1.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667   -2.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167    1.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458    2.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958   -3.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0458   -2.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3125   -2.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -3.9042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000   -4.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  8  1  0  0  0  0
  7 12  1  0  0  0  0
  8 11  1  0  0  0  0
  9  1  1  0  0  0  0
 10  6  1  0  0  0  0
 11 15  1  0  0  0  0
 12 11  1  0  0  0  0
 13 10  2  0  0  0  0
 14 10  1  0  0  0  0
 15  9  1  0  0  0  0
 16  2  1  0  0  0  0
 17 19  1  0  0  0  0
 18 13  1  0  0  0  0
 19 14  2  0  0  0  0
 20 17  1  0  0  0  0
 21 20  1  0  0  0  0
  5  4  2  0  0  0  0
  7  6  2  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (2,161)
2161

>  <Formula> (2,161)
C13H15N5OS2

>  <MolWeight> (2,161)
321.4211

>  <COMPOUND_NAME> (2,161)
WAY-625722

>  <BAR_CODE_NO> (2,161)
90459915

$$$$
WAY-625760
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -0.3958   -1.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167   -1.9167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167   -2.7417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958   -3.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1125   -1.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1125   -2.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958   -0.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167    3.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292    1.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167    2.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292    0.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167   -0.2667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292    3.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958   -3.9792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958    3.4458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1125   -0.2667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292    4.2667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167    0.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7417    2.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7417    0.5583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7417    3.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292   -3.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8250   -1.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8250   -3.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958    4.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167    4.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7417   -2.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5458   -1.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5458   -2.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  6  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  2  0  0  0  0
  7  1  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10  9  2  0  0  0  0
 11 18  1  0  0  0  0
 12  7  1  0  0  0  0
 13 21  1  0  0  0  0
 14  4  2  0  0  0  0
 15  8  1  0  0  0  0
 16  7  2  0  0  0  0
 17 13  1  0  0  0  0
 18 12  1  0  0  0  0
 19  9  1  0  0  0  0
 20 11  2  0  0  0  0
 21 19  2  0  0  0  0
 22  3  1  0  0  0  0
 23  5  1  0  0  0  0
 24  6  1  0  0  0  0
 25 15  1  0  0  0  0
 26 17  1  0  0  0  0
 27 22  1  0  0  0  0
 28 23  2  0  0  0  0
 29 28  1  0  0  0  0
  4  3  1  0  0  0  0
 29 24  2  0  0  0  0
 13  8  2  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (2,162)
2162

>  <Formula> (2,162)
C21H18N2O6

>  <MolWeight> (2,162)
394.37742

>  <COMPOUND_NAME> (2,162)
WAY-625760

>  <BAR_CODE_NO> (2,162)
90459953

$$$$
WAY-625763
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -1.7083   -0.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1875   -0.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1875   -1.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9708   -1.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833   -0.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9708   -0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8292    1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5917    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042    1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4708   -0.0792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2417    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2417    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4708   -1.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0667    0.6333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542   -0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042   -0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542    1.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8292   -0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9333   -2.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6875   -1.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6875    0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0667    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4792    1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4083   -1.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4083   -0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9  8  2  0  0  0  0
 10 16  1  0  0  0  0
 11  5  1  0  0  0  0
 12 19  1  0  0  0  0
 13  7  1  0  0  0  0
 14  5  2  0  0  0  0
 15 12  1  0  0  0  0
 16 11  1  0  0  0  0
 17  8  1  0  0  0  0
 18 10  2  0  0  0  0
 19 17  2  0  0  0  0
 20  3  1  0  0  0  0
 21  4  1  0  0  0  0
 22  6  1  0  0  0  0
 23 13  1  0  0  0  0
 24 15  1  0  0  0  0
 25 21  2  0  0  0  0
 26 22  2  0  0  0  0
  4  6  2  0  0  0  0
 25 26  1  0  0  0  0
 12  7  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (2,163)
2163

>  <Formula> (2,163)
C20H16O6

>  <MolWeight> (2,163)
352.33744

>  <COMPOUND_NAME> (2,163)
WAY-625763

>  <BAR_CODE_NO> (2,163)
90459956

$$$$
WAY-625780
csChFnd80/06171916322D

 25 29  0  0  0  0  0  0  0  0999 V2000
   -1.1083    1.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083    2.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917   -0.5792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3250    1.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417   -1.1917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8000   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3250    2.4958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8958    2.4958    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1625    1.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6917   -1.9792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0542   -1.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708    0.3750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8958    1.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3833    1.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7375    0.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5042   -2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542   -0.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8625   -1.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2333    0.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1958    1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542   -2.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1167   -2.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0500    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5333    0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5667   -3.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3 15  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  3  1  0  0  0  0
  7  2  2  0  0  0  0
  8  2  1  0  0  0  0
  9  4  2  0  0  0  0
 10  5  2  0  0  0  0
 11  6  1  0  0  0  0
 12  4  1  0  0  0  0
 13  1  1  0  0  0  0
 14 13  2  0  0  0  0
 15 12  1  0  0  0  0
 16 11  2  0  0  0  0
 17  6  2  0  0  0  0
 18 11  1  0  0  0  0
 19 13  1  0  0  0  0
 20 14  1  0  0  0  0
 21 16  1  0  0  0  0
 22 18  2  0  0  0  0
 23 19  2  0  0  0  0
 24 23  1  0  0  0  0
 25 22  1  0  0  0  0
 14  8  1  0  0  0  0
  7  9  1  0  0  0  0
 24 20  2  0  0  0  0
 16 10  1  0  0  0  0
 21 25  2  0  0  0  0
M  END
>  <Mol_ID> (2,164)
2164

>  <Formula> (2,164)
C16H10N6OS2

>  <MolWeight> (2,164)
366.4202

>  <COMPOUND_NAME> (2,164)
WAY-625780

>  <BAR_CODE_NO> (2,164)
90459973

$$$$
WAY-625790
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -0.5458   -1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333   -0.8917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375   -1.3042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375   -0.4792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -2.3417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500   -2.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3417    3.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000    0.5583    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1750    4.7667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0500    2.5708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083   -3.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542   -2.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667    3.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8875    5.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5042    4.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3083    2.1333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500    1.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083    3.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542   -4.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1125   -3.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0500   -4.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3083   -3.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8125   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  2  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8 19  1  0  0  0  0
  9 20  1  0  0  0  0
 10  3  1  0  0  0  0
 11  9  1  0  0  0  0
 12  8  1  0  0  0  0
 13  7  2  0  0  0  0
 14  7  1  0  0  0  0
 15  9  2  0  0  0  0
 16 11  1  0  0  0  0
 17 15  1  0  0  0  0
 18  8  2  0  0  0  0
 19 10  1  0  0  0  0
 20 12  1  0  0  0  0
 21 22  1  0  0  0  0
 22 14  2  0  0  0  0
 23 13  1  0  0  0  0
 24 13  1  0  0  0  0
 25 14  1  0  0  0  0
  3  5  2  0  0  0  0
 21 23  2  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (2,165)
2165

>  <Formula> (2,165)
C17H18N4O2S2

>  <MolWeight> (2,165)
374.48042

>  <COMPOUND_NAME> (2,165)
WAY-625790

>  <BAR_CODE_NO> (2,165)
90459984

$$$$
WAY-625806
csChFnd80/06171916322D

 35 38  0  0  0  0  0  0  0  0999 V2000
    1.9875    0.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5042    0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7750    1.3750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9875    1.6333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292   -0.6625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.7750    0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292   -0.4917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7958    0.2208    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.4958   -1.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167   -0.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3000   -1.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458   -1.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792    0.9625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542    0.1458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1000   -1.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5375    1.0083    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.7292    2.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5958    0.0500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333   -1.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5583   -2.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4417    1.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4417    0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8583   -0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2875    3.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292    2.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3625   -2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0083   -2.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6667    3.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0292    3.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2583   -3.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6208   -3.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0708   -3.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2250    3.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  6  1  0  0  0  0
  4  2  1  0  0  0  0
  5  8  1  0  0  0  0
  6  1  2  0  0  0  0
  7 11  1  0  0  0  0
  8  1  1  0  0  0  0
  9  7  1  0  0  0  0
 10 14  1  0  0  0  0
 11 12  2  0  0  0  0
 12  5  1  0  0  0  0
 13 10  1  0  0  0  0
 14 21  2  0  0  0  0
 15  2  2  0  0  0  0
 16  5  2  0  0  0  0
 17  5  2  0  0  0  0
 18  9  1  0  0  0  0
 19  4  1  0  0  0  0
 20  9  2  0  0  0  0
 21 12  1  0  0  0  0
 22 13  1  0  0  0  0
 23  3  1  0  0  0  0
 24  6  1  0  0  0  0
 25 13  1  0  0  0  0
 26 19  1  0  0  0  0
 27 19  2  0  0  0  0
 28 22  1  0  0  0  0
 29 22  1  0  0  0  0
 30 27  1  0  0  0  0
 31 26  2  0  0  0  0
 32 29  1  0  0  0  0
 33 28  1  0  0  0  0
 34 32  1  0  0  0  0
 35 30  2  0  0  0  0
  4  3  1  0  0  0  0
 10  7  2  0  0  0  0
 35 31  1  0  0  0  0
 34 33  1  0  0  0  0
M  END
>  <Mol_ID> (2,166)
2166

>  <Formula> (2,166)
C24H29N5O5S

>  <MolWeight> (2,166)
499.58256

>  <COMPOUND_NAME> (2,166)
WAY-625806

>  <BAR_CODE_NO> (2,166)
90460000

$$$$
WAY-625817
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.7667   -2.0792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792   -1.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083   -1.6667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083   -2.4917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5917   -2.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3125    1.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583    2.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208    1.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292   -0.6292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3042   -2.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3042   -1.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6125    2.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6750    1.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4208    2.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292   -3.5292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0417    0.9375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3750    0.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583    3.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9708    3.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7 15  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
 10  2  1  0  0  0  0
 11  6  1  0  0  0  0
 12  6  1  0  0  0  0
 13  8  1  0  0  0  0
 14  9  2  0  0  0  0
 15 18  1  0  0  0  0
 16 14  1  0  0  0  0
 17  3  2  0  0  0  0
 18 10  1  0  0  0  0
 19 15  2  0  0  0  0
 20  9  1  0  0  0  0
 21 13  1  0  0  0  0
 22 16  1  0  0  0  0
 12 11  1  0  0  0  0
  5  4  1  0  0  0  0
 16 13  2  0  0  0  0
M  END
>  <Mol_ID> (2,167)
2167

>  <Formula> (2,167)
C16H19N3O2S

>  <MolWeight> (2,167)
317.40596

>  <COMPOUND_NAME> (2,167)
WAY-625817

>  <BAR_CODE_NO> (2,167)
90460011

$$$$
WAY-625826
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
    0.2542    0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.1542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167   -0.1542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542    1.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1583   -0.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6667   -0.9417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542    2.8083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667    2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667    1.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6792    2.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583    1.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583    2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667    3.6250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958   -3.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6458   -1.6042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583   -3.7792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4375    2.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5792    3.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9917    3.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6125   -2.9417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083   -2.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1750    1.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458   -4.4417    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.1750    2.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083   -5.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7625   -4.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8875    1.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8875    2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958   -5.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7 12  2  0  0  0  0
  8  9  2  0  0  0  0
  9  4  1  0  0  0  0
 10  8  1  0  0  0  0
 11  4  2  0  0  0  0
 12 11  1  0  0  0  0
 13 10  1  0  0  0  0
 14 21  1  0  0  0  0
 15  5  1  0  0  0  0
 16 14  1  0  0  0  0
 17 10  2  0  0  0  0
 18 13  1  0  0  0  0
 19 17  1  0  0  0  0
 20 14  2  0  0  0  0
 21 15  1  0  0  0  0
 22 11  1  0  0  0  0
 23 16  1  0  0  0  0
 24 12  1  0  0  0  0
 25 23  1  0  0  0  0
 26 23  1  0  0  0  0
 27 22  2  0  0  0  0
 28 27  1  0  0  0  0
 29 25  1  0  0  0  0
  6  5  2  0  0  0  0
  7  8  1  0  0  0  0
 28 24  2  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (2,168)
2168

>  <Formula> (2,168)
C21H20N4O2S2

>  <MolWeight> (2,168)
424.5391

>  <COMPOUND_NAME> (2,168)
WAY-625826

>  <BAR_CODE_NO> (2,168)
90460020

$$$$
WAY-625828
csChFnd80/06171916322D

 32 36  0  0  0  0  0  0  0  0999 V2000
    0.9125    0.5250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6292    0.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000   -0.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6292   -0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000    0.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9125   -1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4125    0.3708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9833   -1.0417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4125   -0.9667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5375   -0.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2333   -0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8917   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1250    0.2833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208   -1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9125    1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208    0.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208    0.5250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9125   -1.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3583   -0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6292    1.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6667   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6958   -1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8458    0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6292    2.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3417    1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4750   -1.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6625    0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5208   -1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0542    1.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3417    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9958   -0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0542    2.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  5  1  0  0  0  0
  4  2  2  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8 11  1  0  0  0  0
  9  4  1  0  0  0  0
 10  8  2  0  0  0  0
 11 14  1  0  0  0  0
 12  7  2  0  0  0  0
 13 16  1  0  0  0  0
 14  3  1  0  0  0  0
 15  1  1  0  0  0  0
 16 11  2  0  0  0  0
 17  5  2  0  0  0  0
 18  6  2  0  0  0  0
 19 10  1  0  0  0  0
 20 15  1  0  0  0  0
 21  9  1  0  0  0  0
 22 19  2  0  0  0  0
 23 19  1  0  0  0  0
 24 20  2  0  0  0  0
 25 20  1  0  0  0  0
 26 21  1  0  0  0  0
 27 23  2  0  0  0  0
 28 22  1  0  0  0  0
 29 25  2  0  0  0  0
 30 24  1  0  0  0  0
 31 27  1  0  0  0  0
 32 29  1  0  0  0  0
  4  6  1  0  0  0  0
 12  9  1  0  0  0  0
 32 30  2  0  0  0  0
 10 13  1  0  0  0  0
 31 28  2  0  0  0  0
M  END
>  <Mol_ID> (2,169)
2169

>  <Formula> (2,169)
C24H21N5O2S

>  <MolWeight> (2,169)
443.52084

>  <COMPOUND_NAME> (2,169)
WAY-625828

>  <BAR_CODE_NO> (2,169)
90460022

$$$$
WAY-625841
csChFnd80/06171916322D

 23 26  0  0  0  0  0  0  0  0999 V2000
    0.5542    1.4208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167   -2.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0417    2.0875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.2333    1.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333   -2.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8125    0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0375   -1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458   -2.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458   -1.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542    2.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792   -3.4875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958   -1.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792   -3.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667   -2.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5125   -0.7625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542    0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6167    0.4708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8667    2.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458    1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458    2.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6583    1.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6583    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7 16  1  0  0  0  0
  8  4  2  0  0  0  0
  9 13  1  0  0  0  0
 10  7  1  0  0  0  0
 11  3  1  0  0  0  0
 12  5  1  0  0  0  0
 13 10  2  0  0  0  0
 14 15  2  0  0  0  0
 15  2  1  0  0  0  0
 16 17  1  0  0  0  0
 17  6  1  0  0  0  0
 18  6  2  0  0  0  0
 19  3  1  0  0  0  0
 20  4  1  0  0  0  0
 21  8  1  0  0  0  0
 22 20  2  0  0  0  0
 23 22  1  0  0  0  0
  8 11  1  0  0  0  0
 23 21  2  0  0  0  0
  9  5  2  0  0  0  0
 14 12  1  0  0  0  0
M  END
>  <Mol_ID> (2,170)
2170

>  <Formula> (2,170)
C17H15N3O2S

>  <MolWeight> (2,170)
325.3849

>  <COMPOUND_NAME> (2,170)
WAY-625841

>  <BAR_CODE_NO> (2,170)
90460035

$$$$
WAY-625849
csChFnd80/06171916322D

 33 37  0  0  0  0  0  0  0  0999 V2000
    0.2542   -3.2750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542   -2.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1875    3.8375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1875    2.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2917    3.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708    3.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9250   -1.9625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542   -4.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708    2.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6667   -1.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -1.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542   -0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792   -3.2750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5708   -3.2750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1583   -1.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167    3.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1417    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042    0.9083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667    1.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.3333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542   -5.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583   -4.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667   -4.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542    2.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667    4.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6875    3.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6875    2.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583   -5.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667   -5.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833    5.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000    3.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000    2.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  5  1  0  0  0  0
  4 18  1  0  0  0  0
  5 17  1  0  0  0  0
  6  9  2  0  0  0  0
  7  2  1  0  0  0  0
  8  1  1  0  0  0  0
  9  4  1  0  0  0  0
 10  7  1  0  0  0  0
 11  2  2  0  0  0  0
 12 13  1  0  0  0  0
 13 10  1  0  0  0  0
 14  1  2  0  0  0  0
 15  1  2  0  0  0  0
 16 11  1  0  0  0  0
 17 25  2  0  0  0  0
 18 20  2  0  0  0  0
 19 12  1  0  0  0  0
 20 19  1  0  0  0  0
 21 12  2  0  0  0  0
 22 30  1  0  0  0  0
 23  8  1  0  0  0  0
 24  8  1  0  0  0  0
 25 20  1  0  0  0  0
 26  3  1  0  0  0  0
 27  6  1  0  0  0  0
 28  9  1  0  0  0  0
 29 23  1  0  0  0  0
 30 24  1  0  0  0  0
 31 26  1  0  0  0  0
 32 33  1  0  0  0  0
 33 28  2  0  0  0  0
 22 29  1  0  0  0  0
 16 10  2  0  0  0  0
  5  4  2  0  0  0  0
  6  3  1  0  0  0  0
 32 27  2  0  0  0  0
M  END
>  <Mol_ID> (2,171)
2171

>  <Formula> (2,171)
C24H25N3O4S2

>  <MolWeight> (2,171)
483.603

>  <COMPOUND_NAME> (2,171)
WAY-625849

>  <BAR_CODE_NO> (2,171)
90460043

$$$$
WAY-625853
csChFnd80/06171916322D

 28 30  0  0  0  0  0  0  0  0999 V2000
    0.9417   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542   -0.9042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6917   -1.8625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3042   -1.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0500   -2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2417   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0708    1.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3250    0.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2625    1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3917   -0.4625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7708   -0.1917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9625   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9875   -3.2542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958    0.5708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1125   -1.3417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7083    0.7625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083    2.1583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6208    1.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1333    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7917    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5250    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000    2.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4333    1.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6833    0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7917    0.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  6  1  0  0  0  0
  6  3  1  0  0  0  0
  7  8  2  0  0  0  0
  8 11  1  0  0  0  0
  9  7  1  0  0  0  0
 10  1  1  0  0  0  0
 11 12  1  0  0  0  0
 12 18  1  0  0  0  0
 13  2  1  0  0  0  0
 14  6  2  0  0  0  0
 15  9  2  0  0  0  0
 16  4  1  0  0  0  0
 17 12  2  0  0  0  0
 18 10  1  0  0  0  0
 19  9  1  0  0  0  0
 20  7  1  0  0  0  0
 21  8  1  0  0  0  0
 22 13  1  0  0  0  0
 23 13  1  0  0  0  0
 24 19  1  0  0  0  0
 25 26  1  0  0  0  0
 26 21  2  0  0  0  0
 27 23  1  0  0  0  0
 28 22  1  0  0  0  0
  5  4  2  0  0  0  0
 27 28  1  0  0  0  0
 25 20  2  0  0  0  0
M  END
>  <Mol_ID> (2,172)
2172

>  <Formula> (2,172)
C19H21N3O5S

>  <MolWeight> (2,172)
403.45214

>  <COMPOUND_NAME> (2,172)
WAY-625853

>  <BAR_CODE_NO> (2,172)
90460047

$$$$
WAY-625858
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    0.1792    1.5208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708    0.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5375    1.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542    0.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917    0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9583   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4458   -3.1667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1750   -2.7542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208   -0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2625    2.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9583   -3.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0167    2.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1750   -3.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1917    3.4833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2125   -1.7167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042    3.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6625   -1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292    2.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3417    2.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7250   -0.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2958    1.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    1.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2125   -4.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  1  1  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6 15  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
  9  2  1  0  0  0  0
 10  1  1  0  0  0  0
 11  7  1  0  0  0  0
 12 10  1  0  0  0  0
 13  8  1  0  0  0  0
 14 12  1  0  0  0  0
 15 17  1  0  0  0  0
 16 14  1  0  0  0  0
 17  9  1  0  0  0  0
 18 12  2  0  0  0  0
 19 18  1  0  0  0  0
 20  9  2  0  0  0  0
 21  3  1  0  0  0  0
 22  5  1  0  0  0  0
 23 11  1  0  0  0  0
  4  2  1  0  0  0  0
 16 19  2  0  0  0  0
 13 11  2  0  0  0  0
M  END
>  <Mol_ID> (2,173)
2173

>  <Formula> (2,173)
C17H18N2OS3

>  <MolWeight> (2,173)
362.53262

>  <COMPOUND_NAME> (2,173)
WAY-625858

>  <BAR_CODE_NO> (2,173)
90460052

$$$$
WAY-625875
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
    2.0167    0.8750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6958   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1833   -0.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708   -1.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1833   -1.9375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4292    1.5958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583   -0.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042    0.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9625   -0.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9625   -1.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667   -0.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7792    0.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7292    0.4625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042    1.2875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708    0.1625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2542    1.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167    2.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167   -0.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7792   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6833   -0.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6833   -2.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4292    3.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6667    2.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3958   -1.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3958   -0.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2542    3.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  2  2  0  0  0  0
  4  7  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7 11  1  0  0  0  0
  8  1  1  0  0  0  0
  9  3  1  0  0  0  0
 10  5  1  0  0  0  0
 11 12  2  0  0  0  0
 12  8  1  0  0  0  0
 13  1  2  0  0  0  0
 14  1  2  0  0  0  0
 15  7  2  0  0  0  0
 16  6  1  0  0  0  0
 17  6  1  0  0  0  0
 18  8  2  0  0  0  0
 19 20  2  0  0  0  0
 20 18  1  0  0  0  0
 21  9  1  0  0  0  0
 22 10  1  0  0  0  0
 23 17  1  0  0  0  0
 24 16  1  0  0  0  0
 25 22  2  0  0  0  0
 26 21  2  0  0  0  0
 27 23  1  0  0  0  0
 19 11  1  0  0  0  0
 27 24  1  0  0  0  0
 10  9  2  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (2,174)
2174

>  <Formula> (2,174)
C19H20N4O3S

>  <MolWeight> (2,174)
384.4521

>  <COMPOUND_NAME> (2,174)
WAY-625875

>  <BAR_CODE_NO> (2,174)
90460069

$$$$
WAY-625884
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
    2.1167   -0.4792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4042   -0.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8292   -0.0667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708    0.3458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458    0.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458   -0.4792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0250   -0.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6875   -0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4583    0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5292   -1.1917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7042    0.2333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8833    0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0250   -1.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0250    0.7583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4042   -1.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4583    1.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6875   -2.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8833    1.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708    1.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458   -2.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5417   -0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8292    0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6000    0.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6000    1.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458   -2.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5417    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2625   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3125    0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3125    1.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2625    0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  9  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  2  2  0  0  0  0
  9  5  1  0  0  0  0
 10  1  2  0  0  0  0
 11  1  2  0  0  0  0
 12  4  1  0  0  0  0
 13 17  1  0  0  0  0
 14  5  2  0  0  0  0
 15  2  1  0  0  0  0
 16  9  1  0  0  0  0
 17 15  2  0  0  0  0
 18 19  1  0  0  0  0
 19 16  2  0  0  0  0
 20 13  1  0  0  0  0
 21  3  1  0  0  0  0
 22  3  1  0  0  0  0
 23 12  1  0  0  0  0
 24 18  1  0  0  0  0
 25 20  1  0  0  0  0
 26 22  1  0  0  0  0
 27 21  1  0  0  0  0
 28 23  2  0  0  0  0
 29 24  2  0  0  0  0
 30 26  1  0  0  0  0
 30 27  1  0  0  0  0
 13  7  2  0  0  0  0
 18 12  2  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (2,175)
2175

>  <Formula> (2,175)
C22H23N3O4S

>  <MolWeight> (2,175)
425.50072

>  <COMPOUND_NAME> (2,175)
WAY-625884

>  <BAR_CODE_NO> (2,175)
90460078

$$$$
WAY-625887
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
    1.3167    1.4958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167    2.3208    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.6042    2.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042    1.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -4.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -3.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042    3.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1125    1.4958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1125   -5.1042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1125   -3.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458   -3.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -2.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458   -2.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1125   -2.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0292    2.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -1.3917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0292    3.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1125    2.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042    0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167    3.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458   -5.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1125    3.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1125   -0.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1125   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    2.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    3.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  6  1  0  0  0  0
  6 10  1  0  0  0  0
  7  3  2  0  0  0  0
  8  4  2  0  0  0  0
  9  5  2  0  0  0  0
 10 14  2  0  0  0  0
 11 13  1  0  0  0  0
 12 16  1  0  0  0  0
 13 12  2  0  0  0  0
 14 12  1  0  0  0  0
 15  2  1  0  0  0  0
 16 23  1  0  0  0  0
 17 15  1  0  0  0  0
 18  3  1  0  0  0  0
 19  4  1  0  0  0  0
 20 17  1  0  0  0  0
 21  5  1  0  0  0  0
 22  7  1  0  0  0  0
 23 24  1  0  0  0  0
 24 19  1  0  0  0  0
 25 18  2  0  0  0  0
 26 25  1  0  0  0  0
 20  7  1  0  0  0  0
 26 22  2  0  0  0  0
  6 11  2  0  0  0  0
M  END
>  <Mol_ID> (2,176)
2176

>  <Formula> (2,176)
C22H25NO3

>  <MolWeight> (2,176)
351.4388

>  <COMPOUND_NAME> (2,176)
WAY-625887

>  <BAR_CODE_NO> (2,176)
90460081

$$$$
WAY-625895
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
    0.9875   -1.4167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9875   -2.2417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8708    1.8833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458    1.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9875   -0.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1583    2.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7042   -2.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458    1.0583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8125   -1.4167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1625   -1.4167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2750   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5833    2.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2750    0.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2750    2.2958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7042   -3.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1583    3.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5833    3.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8708    3.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9875   -3.8917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7042   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4167   -2.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7042    0.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9875    1.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2958    1.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4167   -3.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2958    3.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9875   -4.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1292   -2.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0208    2.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1292   -3.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0208    3.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  6  2  0  0  0  0
  4  8  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  2  1  0  0  0  0
  8 13  1  0  0  0  0
  9  1  2  0  0  0  0
 10  1  2  0  0  0  0
 11  5  2  0  0  0  0
 12  3  1  0  0  0  0
 13 11  1  0  0  0  0
 14  4  2  0  0  0  0
 15  7  2  0  0  0  0
 16  6  1  0  0  0  0
 17 18  1  0  0  0  0
 18 16  2  0  0  0  0
 19 15  1  0  0  0  0
 20  5  1  0  0  0  0
 21  7  1  0  0  0  0
 22 20  2  0  0  0  0
 23 22  1  0  0  0  0
 24 12  1  0  0  0  0
 25 15  1  0  0  0  0
 26 17  1  0  0  0  0
 27 19  1  0  0  0  0
 28 21  2  0  0  0  0
 29 24  2  0  0  0  0
 30 28  1  0  0  0  0
 31 26  2  0  0  0  0
 23 13  2  0  0  0  0
 30 25  2  0  0  0  0
 17 12  2  0  0  0  0
 29 31  1  0  0  0  0
M  END
>  <Mol_ID> (2,177)
2177

>  <Formula> (2,177)
C23H19N3O4S

>  <MolWeight> (2,177)
433.47966

>  <COMPOUND_NAME> (2,177)
WAY-625895

>  <BAR_CODE_NO> (2,177)
90460089

$$$$
WAY-625905
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    1.1000   -0.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1000    0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1708   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8125   -1.0917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5292   -0.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5292    0.1458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8125    0.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167   -0.9292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4083    0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2417   -1.0917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8125    1.3833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4083   -0.9792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0625    1.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2333    0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8125   -1.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6458   -0.2667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958    1.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6458    1.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4708   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1000   -2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4083    1.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2333    1.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  9  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  2  1  0  0  0  0
  9  1  1  0  0  0  0
 10  3  1  0  0  0  0
 11 10  1  0  0  0  0
 12  6  2  0  0  0  0
 13  8  2  0  0  0  0
 14 10  2  0  0  0  0
 15  5  1  0  0  0  0
 16 11  2  0  0  0  0
 17  4  1  0  0  0  0
 18 16  1  0  0  0  0
 19 11  1  0  0  0  0
 20 16  1  0  0  0  0
 21 18  1  0  0  0  0
 22 17  1  0  0  0  0
 23 19  2  0  0  0  0
 24 23  1  0  0  0  0
  7  8  1  0  0  0  0
  3  5  2  0  0  0  0
 24 20  2  0  0  0  0
M  END
>  <Mol_ID> (2,178)
2178

>  <Formula> (2,178)
C16H15N3O4S

>  <MolWeight> (2,178)
345.373

>  <COMPOUND_NAME> (2,178)
WAY-625905

>  <BAR_CODE_NO> (2,178)
90460099

$$$$
WAY-625913
csChFnd80/06171916322D

 11 12  0  0  0  0  0  0  0  0999 V2000
   -0.1333    0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6833    0.1458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000    1.5708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6917    0.6750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292    1.4250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4250   -0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    1.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542   -0.8917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9125   -1.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542   -1.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4250   -1.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  4  1  0  0  0  0
  6  2  2  0  0  0  0
  7  3  1  0  0  0  0
  8  6  1  0  0  0  0
  9  6  1  0  0  0  0
 10  8  1  0  0  0  0
 11  9  1  0  0  0  0
  7  5  2  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <Mol_ID> (2,179)
2179

>  <Formula> (2,179)
C6H9N5

>  <MolWeight> (2,179)
151.16916

>  <COMPOUND_NAME> (2,179)
WAY-625913

>  <BAR_CODE_NO> (2,179)
90460107

$$$$
WAY-625932
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
   -0.5833   -1.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833   -2.5375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6458   -2.0917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333   -1.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958   -2.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3250    0.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3875   -1.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3250   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542    0.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542   -0.0917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8125    0.3125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833    1.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1250    1.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458   -3.4917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9458   -0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1250    2.0333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7750   -1.5792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9042    0.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3875    1.9333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333    2.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9042    2.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3917    1.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667   -3.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4500   -2.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7750    2.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833    3.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0125   -3.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5625   -4.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667    3.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292    2.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0750    3.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  7  1  0  0  0  0
  4  1  2  0  0  0  0
  5  3  1  0  0  0  0
  6 11  1  0  0  0  0
  7  1  1  0  0  0  0
  8  1  1  0  0  0  0
  9 10  1  0  0  0  0
 10  8  2  0  0  0  0
 11  8  1  0  0  0  0
 12  6  1  0  0  0  0
 13  9  1  0  0  0  0
 14  5  2  0  0  0  0
 15  7  2  0  0  0  0
 16 13  1  0  0  0  0
 17  4  1  0  0  0  0
 18 13  2  0  0  0  0
 19 12  2  0  0  0  0
 20 12  1  0  0  0  0
 21 16  1  0  0  0  0
 22 18  1  0  0  0  0
 23  2  1  0  0  0  0
 24  3  1  0  0  0  0
 25 20  1  0  0  0  0
 26 20  2  0  0  0  0
 27 23  1  0  0  0  0
 28 27  1  0  0  0  0
 29 26  1  0  0  0  0
 30 25  2  0  0  0  0
 31 29  2  0  0  0  0
  6  9  2  0  0  0  0
  5  2  1  0  0  0  0
 21 22  2  0  0  0  0
 31 30  1  0  0  0  0
M  END
>  <Mol_ID> (2,180)
2180

>  <Formula> (2,180)
C22H20N4O4S

>  <MolWeight> (2,180)
436.4836

>  <COMPOUND_NAME> (2,180)
WAY-625932

>  <BAR_CODE_NO> (2,180)
90460126

$$$$
WAY-625938
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
    1.5417   -1.5292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5417   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1125    1.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5417   -2.3542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1125    0.9458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6000    2.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0333    2.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292   -0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7167   -1.5292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3667   -1.5292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208    1.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0333    3.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292    0.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542   -0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292   -2.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7458    1.7708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292    2.1833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7458    3.4208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292   -3.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6000    3.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208    3.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542    0.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1125   -4.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5417    0.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1125   -4.8292    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.6000   -2.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1125   -2.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4583    2.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4583    3.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9667   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6000   -3.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  5  1  0  0  0  0
  4  1  1  0  0  0  0
  5 13  1  0  0  0  0
  6  3  1  0  0  0  0
  7 11  1  0  0  0  0
  8  2  1  0  0  0  0
  9  1  2  0  0  0  0
 10  1  2  0  0  0  0
 11  6  2  0  0  0  0
 12 21  1  0  0  0  0
 13  8  2  0  0  0  0
 14  2  2  0  0  0  0
 15  4  1  0  0  0  0
 16  7  1  0  0  0  0
 17  3  2  0  0  0  0
 18 12  1  0  0  0  0
 19 15  2  0  0  0  0
 20  6  1  0  0  0  0
 21 20  2  0  0  0  0
 22 14  1  0  0  0  0
 23 19  1  0  0  0  0
 24 22  2  0  0  0  0
 25 23  1  0  0  0  0
 26 27  2  0  0  0  0
 27 15  1  0  0  0  0
 28 16  1  0  0  0  0
 29 18  1  0  0  0  0
 30 14  1  0  0  0  0
 31 26  1  0  0  0  0
 13 24  1  0  0  0  0
 31 23  2  0  0  0  0
 12  7  2  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (2,181)
2181

>  <Formula> (2,181)
C22H19ClN2O5S

>  <MolWeight> (2,181)
458.91466

>  <COMPOUND_NAME> (2,181)
WAY-625938

>  <BAR_CODE_NO> (2,181)
90460132

$$$$
WAY-625949
csChFnd80/06171916322D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -2.4312    1.9791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1209    3.1895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1381    0.8136    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0795    1.9791    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4933    3.1895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4933    0.8136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3899    0.8136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1795    2.0136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9826    0.8136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0795   -0.3554    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5278    2.0136    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.6446   -0.3899    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0205   -0.3899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7067   -1.5588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0205   -2.7588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0619   -1.5588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6860   -3.9243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7481   -2.7588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0619   -3.9243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
  6  8  2  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (2,182)
2182

>  <Formula> (2,182)
C14H13ClN2OS

>  <MolWeight> (2,182)
292.78382

>  <COMPOUND_NAME> (2,182)
WAY-625949

>  <BAR_CODE_NO> (2,182)
90460143

$$$$
WAY-625951
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.9000   -0.3591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8448    0.5374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1517   -0.8591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7724   -0.5798    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.6793    0.8650    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0379    0.9340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3414   -0.4557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2552    0.1685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2862    0.4340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4000   -0.9557    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.1552    0.2305    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0759   -0.3591    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0517   -1.5729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1621   -1.6591    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5552    1.0340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9310   -0.6453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6069   -0.0557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4241    0.8271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4586   -0.3384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1034    1.4236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1345    0.2512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9552    1.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
 10 14  2  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
  5  8  2  0  0  0  0
  7  9  2  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (2,183)
2183

>  <Formula> (2,183)
C15H14N2O2S3

>  <MolWeight> (2,183)
350.47886

>  <COMPOUND_NAME> (2,183)
WAY-625951

>  <BAR_CODE_NO> (2,183)
90460145

$$$$
WAY-625965
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
    0.0417    0.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417    1.5375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    1.2833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2125   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3375   -1.1917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792   -1.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4917    1.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6375   -2.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7250   -2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4250   -3.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9833   -2.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792   -3.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2417    1.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4042    2.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6833    0.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6833    1.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4417   -2.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2750   -1.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5083    1.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9167    1.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667    3.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5083    0.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9208    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8292    2.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  3  1  0  0  0  0
 10  6  2  0  0  0  0
 11  4  1  0  0  0  0
 12  8  1  0  0  0  0
 13  8  2  0  0  0  0
 14 15  2  0  0  0  0
 15 13  1  0  0  0  0
 16 12  2  0  0  0  0
 17  9  1  0  0  0  0
 18  9  2  0  0  0  0
 19 11  2  0  0  0  0
 20 11  1  0  0  0  0
 21 12  1  0  0  0  0
 22 13  1  0  0  0  0
 23 20  2  0  0  0  0
 24 17  2  0  0  0  0
 25 18  1  0  0  0  0
 26 19  1  0  0  0  0
 27 23  1  0  0  0  0
 28 25  2  0  0  0  0
  2  3  1  0  0  0  0
 16 14  1  0  0  0  0
 27 26  2  0  0  0  0
 28 24  1  0  0  0  0
M  END
>  <Mol_ID> (2,184)
2184

>  <Formula> (2,184)
C24H21N3O

>  <MolWeight> (2,184)
367.44304

>  <COMPOUND_NAME> (2,184)
WAY-625965

>  <BAR_CODE_NO> (2,184)
90460159

$$$$
WAY-626001
csChFnd80/06171916322D

 23 24  0  0  0  0  0  0  0  0999 V2000
   -0.2708    3.0875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4292   -2.2667    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.6250   -2.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708    1.7583    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.5208    0.9708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292    0.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667   -3.2250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667   -1.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458    3.7708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833    3.9208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9792   -2.8792    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.5167    2.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6875   -1.4792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167    2.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3250   -1.0417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2250   -0.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8375    0.5250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3333    0.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4375   -3.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7375   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8833    1.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958   -2.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  9  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  3  1  0  0  0  0
  9 16  1  0  0  0  0
 10  1  2  0  0  0  0
 11  1  2  0  0  0  0
 12  2  1  0  0  0  0
 13 15  1  0  0  0  0
 14  2  2  0  0  0  0
 15  1  1  0  0  0  0
 16 17  1  0  0  0  0
 17  7  1  0  0  0  0
 18  7  2  0  0  0  0
 19  6  1  0  0  0  0
 20 23  1  0  0  0  0
 21  9  1  0  0  0  0
 22 19  1  0  0  0  0
 23 21  2  0  0  0  0
 13  5  1  0  0  0  0
 20  8  2  0  0  0  0
M  END
>  <Mol_ID> (2,185)
2185

>  <Formula> (2,185)
C13H17N3O6S

>  <MolWeight> (2,185)
343.35558

>  <COMPOUND_NAME> (2,185)
WAY-626001

>  <BAR_CODE_NO> (2,185)
90460195

$$$$
WAY-626068
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    1.1542    0.1958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8750   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1333    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4125   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1333    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8458   -0.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8458    1.4333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8750   -1.0417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9833   -0.2167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417   -1.0417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7000    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4125    1.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5875    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7000    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3042   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5583    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5583    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3042   -1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0167    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7292   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0167   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7292   -1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  5  1  0  0  0  0
  4  1  1  0  0  0  0
  5 12  2  0  0  0  0
  6 13  1  0  0  0  0
  7  3  1  0  0  0  0
  8  6  1  0  0  0  0
  9  2  2  0  0  0  0
 10 15  1  0  0  0  0
 11  4  2  0  0  0  0
 12 10  1  0  0  0  0
 13 16  2  0  0  0  0
 14  2  1  0  0  0  0
 15  4  1  0  0  0  0
 16 12  1  0  0  0  0
 17 14  1  0  0  0  0
 18  7  1  0  0  0  0
 19  8  1  0  0  0  0
 20 17  1  0  0  0  0
 21 17  2  0  0  0  0
 22 21  1  0  0  0  0
 23 20  2  0  0  0  0
 24 22  2  0  0  0  0
 24 23  1  0  0  0  0
  6  3  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (2,186)
2186

>  <Formula> (2,186)
C18H17NO4S

>  <MolWeight> (2,186)
343.39688

>  <COMPOUND_NAME> (2,186)
WAY-626068

>  <BAR_CODE_NO> (2,186)
90460262

$$$$
WAY-626080
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    1.6000   -2.0792    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.4542    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792    1.3458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958    0.1625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083    1.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6292   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2083    1.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167   -0.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167   -0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8875   -2.4917    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.3167   -2.4917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833    0.3208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8583   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3500   -0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333    2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6375    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9458    1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3417   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7000   -1.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0708   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2583    2.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9708    2.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4750   -1.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  8  1  0  0  0  0
  3  2  1  0  0  0  0
  4  7  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  5  2  0  0  0  0
  8  9  1  0  0  0  0
  9  6  2  0  0  0  0
 10  1  1  0  0  0  0
 11  1  2  0  0  0  0
 12  2  2  0  0  0  0
 13  4  1  0  0  0  0
 14  4  1  0  0  0  0
 15  6  1  0  0  0  0
 16  5  1  0  0  0  0
 17 19  1  0  0  0  0
 18  7  1  0  0  0  0
 19 15  2  0  0  0  0
 20 14  1  0  0  0  0
 21 13  1  0  0  0  0
 22 16  2  0  0  0  0
 23 22  1  0  0  0  0
 24 20  1  0  0  0  0
 17  8  2  0  0  0  0
 23 18  2  0  0  0  0
 24 21  1  0  0  0  0
M  END
>  <Mol_ID> (2,187)
2187

>  <Formula> (2,187)
C18H19N3O3

>  <MolWeight> (2,187)
325.36176

>  <COMPOUND_NAME> (2,187)
WAY-626080

>  <BAR_CODE_NO> (2,187)
90460274

$$$$
WAY-626101
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -1.5833   -2.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3625   -2.4292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5833   -1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8625   -2.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1500   -2.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3625   -1.0917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8500   -1.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792    1.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1500   -1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8625   -0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958   -3.3917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792    3.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292   -3.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667   -0.9375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4625   -2.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792    2.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667   -0.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9917    1.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667    1.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9917   -0.1125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9917    4.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667    2.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9917    2.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667    4.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6750   -1.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667    4.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  4  1  0  0  0  0
  6  3  1  0  0  0  0
  7  2  2  0  0  0  0
  8 11  1  0  0  0  0
  9  5  2  0  0  0  0
 10  3  2  0  0  0  0
 11 18  1  0  0  0  0
 12  4  1  0  0  0  0
 13 17  1  0  0  0  0
 14 12  1  0  0  0  0
 15  9  1  0  0  0  0
 16  5  1  0  0  0  0
 17 23  1  0  0  0  0
 18 15  1  0  0  0  0
 19  8  1  0  0  0  0
 20  8  1  0  0  0  0
 21 11  2  0  0  0  0
 22 13  2  0  0  0  0
 23 20  1  0  0  0  0
 24 19  1  0  0  0  0
 25 13  1  0  0  0  0
 26  7  1  0  0  0  0
 27 25  1  0  0  0  0
 10  9  1  0  0  0  0
  7  6  1  0  0  0  0
 16 14  2  0  0  0  0
 17 24  1  0  0  0  0
M  END
>  <Mol_ID> (2,188)
2188

>  <Formula> (2,188)
C19H20N2O4S2

>  <MolWeight> (2,188)
404.5031

>  <COMPOUND_NAME> (2,188)
WAY-626101

>  <BAR_CODE_NO> (2,188)
90460295

$$$$
WAY-626122
csChFnd80/06171916322D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -0.3708   -0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6250    0.3750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583   -1.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167   -0.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167   -1.4875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708   -1.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708    0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458    1.7958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6250   -2.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    0.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667    2.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792    1.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  4  1  0  0  0  0
  6  3  1  0  0  0  0
  7  2  2  0  0  0  0
  8  7  1  0  0  0  0
  9  6  1  0  0  0  0
 10  7  1  0  0  0  0
 11  8  1  0  0  0  0
 12 10  1  0  0  0  0
  5  6  2  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (2,189)
2189

>  <Formula> (2,189)
C7H10N4O

>  <MolWeight> (2,189)
166.1805

>  <COMPOUND_NAME> (2,189)
WAY-626122

>  <BAR_CODE_NO> (2,189)
90460316

$$$$
WAY-626163
csChFnd80/06171916322D

 22 23  0  0  0  0  0  0  0  0999 V2000
   -0.1458   -2.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7000   -1.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6625   -2.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3625   -0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667    0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0250    2.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458   -0.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4625    3.5875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167    1.5250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8042    3.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0250    4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8042    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458    0.5708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6167    0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333    2.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4000   -3.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   -2.6667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083   -1.7875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2083   -3.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0583   -1.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  7  2  0  0  0  0
  5 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7  3  1  0  0  0  0
  8  2  2  0  0  0  0
  9  6  1  0  0  0  0
 10  5  1  0  0  0  0
 11  6  2  0  0  0  0
 12  9  1  0  0  0  0
 13 11  1  0  0  0  0
 14  5  2  0  0  0  0
 15  4  1  0  0  0  0
 16 10  1  0  0  0  0
 17  1  1  0  0  0  0
 18  3  1  0  0  0  0
 19  2  1  0  0  0  0
 20 17  1  0  0  0  0
 21 19  1  0  0  0  0
 22 18  1  0  0  0  0
  8  4  1  0  0  0  0
 12 13  2  0  0  0  0
M  END
>  <Mol_ID> (2,190)
2190

>  <Formula> (2,190)
C16H19NO5

>  <MolWeight> (2,190)
305.32576

>  <COMPOUND_NAME> (2,190)
WAY-626163

>  <BAR_CODE_NO> (2,190)
90460357

$$$$
WAY-626165
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
    1.9167   -0.4292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5042    0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7958    0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2833    0.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708    0.2833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3292   -1.1417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2833   -0.3792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5583    0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792    0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667    0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0708    0.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0708   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6292   -0.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2000   -0.8417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9167    0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708    1.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792    1.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5042    1.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1542   -2.5750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9167   -1.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1542   -1.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7417    0.9958    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.5667   -1.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3292   -2.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7833    1.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7833   -0.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4958   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4958    0.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  5  1  0  0  0  0
  4  3  2  0  0  0  0
  5  8  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8 10  1  0  0  0  0
  9  2  1  0  0  0  0
 10  9  2  0  0  0  0
 11  4  1  0  0  0  0
 12  7  1  0  0  0  0
 13  1  2  0  0  0  0
 14  1  2  0  0  0  0
 15  2  2  0  0  0  0
 16  8  2  0  0  0  0
 17 18  2  0  0  0  0
 18 15  1  0  0  0  0
 19 23  1  0  0  0  0
 20  6  1  0  0  0  0
 21  6  1  0  0  0  0
 22 15  1  0  0  0  0
 23 21  1  0  0  0  0
 24 20  1  0  0  0  0
 25 11  1  0  0  0  0
 26 12  1  0  0  0  0
 27 26  2  0  0  0  0
 28 25  2  0  0  0  0
 19 24  1  0  0  0  0
 10 17  1  0  0  0  0
 12 11  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (2,191)
2191

>  <Formula> (2,191)
C18H17FN4O4S

>  <MolWeight> (2,191)
404.4153832

>  <COMPOUND_NAME> (2,191)
WAY-626165

>  <BAR_CODE_NO> (2,191)
90460359

$$$$
WAY-626196
csChFnd80/06171916322D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -0.4333   -1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542   -2.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542   -2.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333   -3.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208   -2.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1583    2.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6833   -1.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667   -1.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6000    3.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083    3.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0125    4.0417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8208    3.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667   -3.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3875    0.3708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9000    1.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6750   -0.5792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042    3.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0958    1.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792   -2.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792   -2.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1625    0.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4625    2.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4917   -3.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  5  1  0  0  0  0
  5  1  2  0  0  0  0
  6 16  1  0  0  0  0
  7  8  1  0  0  0  0
  8  1  1  0  0  0  0
  9  2  1  0  0  0  0
 10 18  1  0  0  0  0
 11  6  1  0  0  0  0
 12 10  1  0  0  0  0
 13 11  1  0  0  0  0
 14  3  1  0  0  0  0
 15  7  1  0  0  0  0
 16 19  2  0  0  0  0
 17  7  2  0  0  0  0
 18 23  2  0  0  0  0
 19 22  1  0  0  0  0
 20  9  2  0  0  0  0
 21 20  1  0  0  0  0
 22 15  1  0  0  0  0
 23 19  1  0  0  0  0
 24 21  1  0  0  0  0
  3  4  1  0  0  0  0
 21 14  2  0  0  0  0
 10  6  2  0  0  0  0
 13 12  1  0  0  0  0
M  END
>  <Mol_ID> (2,192)
2192

>  <Formula> (2,192)
C19H17NO4

>  <MolWeight> (2,192)
323.34258

>  <COMPOUND_NAME> (2,192)
WAY-626196

>  <BAR_CODE_NO> (2,192)
90460391

$$$$
WAY-626203
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.3333    0.5875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8208    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8208   -0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292   -0.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042   -0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6083    0.1750    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.6083    1.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.1417   -0.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917    0.5875    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8042   -1.5917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9625   -0.9250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5625   -0.8625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5625    2.0458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917   -0.8417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0333    0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0333    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3208   -0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3208    1.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4167   -2.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042    1.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1292   -1.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5  9  1  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8  4  1  0  0  0  0
  9  1  1  0  0  0  0
 10  8  2  0  0  0  0
 11  8  1  0  0  0  0
 12  3  2  0  0  0  0
 13  2  2  0  0  0  0
 14  5  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17  6  1  0  0  0  0
 18  7  1  0  0  0  0
 19 10  1  0  0  0  0
  9 20  1  1  0  0  0
 21 11  1  0  0  0  0
  6  7  1  0  0  0  0
 15 16  2  0  0  0  0
 21 19  1  0  0  0  0
M  END
>  <Mol_ID> (2,193)
2193

>  <Formula> (2,193)
C14H17N3O3S

>  <MolWeight> (2,193)
307.36808

>  <COMPOUND_NAME> (2,193)
WAY-626203

>  <BAR_CODE_NO> (2,193)
90460398

$$$$
WAY-626207
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
    0.3167   -1.4250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083    4.1542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1708   -2.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9500   -1.8375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1708   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9500   -1.0125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958    3.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083    2.8208    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.7625    2.0375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083    1.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0875    0.0250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9833    4.8292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208    4.9792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792    3.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792    3.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0875   -2.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4625    0.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917    1.5958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417   -1.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917   -4.4417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5542   -2.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792   -2.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5708    1.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083   -4.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1500   -3.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4625   -3.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8917   -3.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  1  1  0  0  0  0
  6  5  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 17  1  0  0  0  0
 11  5  1  0  0  0  0
 12  2  2  0  0  0  0
 13  2  2  0  0  0  0
 14  8  1  0  0  0  0
 15 14  1  0  0  0  0
 16  3  1  0  0  0  0
 17 11  1  0  0  0  0
 18 10  2  0  0  0  0
 19  1  1  0  0  0  0
 20 25  2  0  0  0  0
 21 19  1  0  0  0  0
 22 21  2  0  0  0  0
 23  9  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  1  0  0  0  0
 26 16  1  0  0  0  0
 27 16  2  0  0  0  0
  4  6  1  0  0  0  0
 20 24  1  0  0  0  0
  2 15  1  0  0  0  0
M  END
>  <Mol_ID> (2,194)
2194

>  <Formula> (2,194)
C17H21N5O3S2

>  <MolWeight> (2,194)
407.51034

>  <COMPOUND_NAME> (2,194)
WAY-626207

>  <BAR_CODE_NO> (2,194)
90460402

$$$$
WAY-626222
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
    0.8417    0.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542    1.1208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208   -0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0792    1.1208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4917    0.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167    0.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958   -0.3125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7083    0.3583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542   -0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0792   -0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7083   -0.9792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4875    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4875   -0.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3167    0.4083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958    1.1208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4917    1.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417   -1.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4917   -1.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2083    0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2083   -1.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0792    2.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542   -1.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0792   -1.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9208   -0.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9208    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  7  1  0  0  0  0
  4  2  1  0  0  0  0
  5 10  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  3  2  0  0  0  0
  9  1  1  0  0  0  0
 10  9  2  0  0  0  0
 11  3  1  0  0  0  0
 12  8  1  0  0  0  0
 13 11  1  0  0  0  0
 14  5  2  0  0  0  0
 15  6  2  0  0  0  0
 16  4  1  0  0  0  0
 17  9  1  0  0  0  0
 18 10  1  0  0  0  0
 19 12  1  0  0  0  0
 20 13  1  0  0  0  0
 21 16  1  0  0  0  0
 22 17  2  0  0  0  0
 23 22  1  0  0  0  0
 24 20  2  0  0  0  0
 25 19  2  0  0  0  0
  5  4  1  0  0  0  0
 23 18  2  0  0  0  0
 13 12  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (2,195)
2195

>  <Formula> (2,195)
C18H15N5O2

>  <MolWeight> (2,195)
333.344

>  <COMPOUND_NAME> (2,195)
WAY-626222

>  <BAR_CODE_NO> (2,195)
90460417

$$$$
WAY-626239
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
    0.0792   -1.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333    1.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458   -1.9792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0458    1.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292   -1.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000   -1.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333    2.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667   -2.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792    1.3458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7625    1.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0458    2.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7625    2.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0458    0.5208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792    2.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3875   -2.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333    0.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0917    1.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4750    1.3458    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.0458    3.8208    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.0917    2.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7167   -1.8125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.2292   -3.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8667   -3.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8125    1.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125   -4.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5292   -3.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  2  0  0  0  0
  4 14  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  2  2  0  0  0  0
  8  1  1  0  0  0  0
  9  5  1  0  0  0  0
 10  2  1  0  0  0  0
 11  4  2  0  0  0  0
 12 13  2  0  0  0  0
 13 11  1  0  0  0  0
 14 17  1  0  0  0  0
 15  7  1  0  0  0  0
 16  8  2  0  0  0  0
 17  9  1  0  0  0  0
 18 10  2  0  0  0  0
 19 11  1  0  0  0  0
 20 12  1  0  0  0  0
 21 18  1  0  0  0  0
 22 16  1  0  0  0  0
 23  8  1  0  0  0  0
 24 16  1  0  0  0  0
 25 18  1  0  0  0  0
 26 23  2  0  0  0  0
 27 26  1  0  0  0  0
  6  9  2  0  0  0  0
 27 24  2  0  0  0  0
 12  7  1  0  0  0  0
 15 21  2  0  0  0  0
M  END
>  <Mol_ID> (2,196)
2196

>  <Formula> (2,196)
C19H12BrCl2N3O2

>  <MolWeight> (2,196)
465.12748

>  <COMPOUND_NAME> (2,196)
WAY-626239

>  <BAR_CODE_NO> (2,196)
90460434

$$$$
WAY-626249
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
    2.0292   -0.9917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6167   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6833    1.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708    1.8125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583    1.1458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708    0.4833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417   -1.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9583    1.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9583    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167   -1.4042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7417   -0.5792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0292    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583   -0.2792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917    1.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6167    1.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8542    0.4333    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1042   -2.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2625   -1.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6708    1.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6708    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4292   -2.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7167   -3.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3833    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3833    1.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  5  1  0  0  0  0
  4  3  2  0  0  0  0
  5  8  1  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8 10  1  0  0  0  0
  9  2  1  0  0  0  0
 10  9  2  0  0  0  0
 11  4  1  0  0  0  0
 12  6  1  0  0  0  0
 13  1  2  0  0  0  0
 14  1  2  0  0  0  0
 15  2  2  0  0  0  0
 16  8  2  0  0  0  0
 17 18  2  0  0  0  0
 18 15  1  0  0  0  0
 19 15  1  0  0  0  0
 20  7  1  0  0  0  0
 21  7  1  0  0  0  0
 22 11  1  0  0  0  0
 23 12  1  0  0  0  0
 24 21  1  0  0  0  0
 25 20  1  0  0  0  0
 26 23  2  0  0  0  0
 27 22  2  0  0  0  0
 24 25  1  0  0  0  0
 10 17  1  0  0  0  0
 12 11  2  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (2,197)
2197

>  <Formula> (2,197)
C18H17ClN4O3S

>  <MolWeight> (2,197)
404.87058

>  <COMPOUND_NAME> (2,197)
WAY-626249

>  <BAR_CODE_NO> (2,197)
90460444

$$$$
WAY-626251
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
    0.1167   -4.1292    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.5958   -2.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167   -0.8375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167    0.8125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167   -1.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167   -3.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3125   -1.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0250   -1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5958   -2.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167    1.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292   -2.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5958   -4.5500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.8292   -4.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5958   -0.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292   -0.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5958    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292   -2.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5958    2.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292    2.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3125    1.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5958    2.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5417    1.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292    2.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3125    3.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542    2.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5417    3.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0250    2.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0250    2.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542    2.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  9  1  0  0  0  0
  3  5  1  0  0  0  0
  4 16  1  0  0  0  0
  5 11  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  7  3  0  0  0  0
  9  6  2  0  0  0  0
 10  4  1  0  0  0  0
 11 18  2  0  0  0  0
 12  1  1  0  0  0  0
 13  1  2  0  0  0  0
 14  3  1  0  0  0  0
 15  3  1  0  0  0  0
 16 15  1  0  0  0  0
 17 14  1  0  0  0  0
 18  6  1  0  0  0  0
 19 10  1  0  0  0  0
 20 10  1  0  0  0  0
 21 19  2  0  0  0  0
 22 19  1  0  0  0  0
 23 20  1  0  0  0  0
 24 20  2  0  0  0  0
 25 22  2  0  0  0  0
 26 23  2  0  0  0  0
 27 24  1  0  0  0  0
 28 21  1  0  0  0  0
 29 25  1  0  0  0  0
 30 27  2  0  0  0  0
  5  2  2  0  0  0  0
  4 17  1  0  0  0  0
 30 26  1  0  0  0  0
 29 28  2  0  0  0  0
M  END
>  <Mol_ID> (2,198)
2198

>  <Formula> (2,198)
C24H22N4O2

>  <MolWeight> (2,198)
398.45708

>  <COMPOUND_NAME> (2,198)
WAY-626251

>  <BAR_CODE_NO> (2,198)
90460446

$$$$
WAY-626256
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    0.3042   -1.4667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542   -2.0792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458   -0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458    1.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5875    2.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2875    1.3333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167   -0.9125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083   -2.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0708    3.3958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000    2.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500    1.7708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5875    4.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000    3.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9625   -3.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6625   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042   -2.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0583   -1.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542   -3.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2167   -2.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6083   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3500    0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  6  1  0  0  0  0
  5  4  1  0  0  0  0
  6 11  1  0  0  0  0
  7  1  2  0  0  0  0
  8  1  2  0  0  0  0
  9  3  1  0  0  0  0
 10  5  1  0  0  0  0
 11  9  2  0  0  0  0
 12  5  2  0  0  0  0
 13  4  2  0  0  0  0
 14 10  1  0  0  0  0
 15 12  1  0  0  0  0
 16 20  1  0  0  0  0
 17  2  1  0  0  0  0
 18  2  1  0  0  0  0
 19  3  2  0  0  0  0
 20 18  1  0  0  0  0
 21 17  1  0  0  0  0
 22 19  1  0  0  0  0
 23 22  2  0  0  0  0
 16 21  1  0  0  0  0
 23 11  1  0  0  0  0
 14 15  2  0  0  0  0
M  END
>  <Mol_ID> (2,199)
2199

>  <Formula> (2,199)
C15H16N2O5S

>  <MolWeight> (2,199)
336.36294

>  <COMPOUND_NAME> (2,199)
WAY-626256

>  <BAR_CODE_NO> (2,199)
90460451

$$$$
WAY-626306
csChFnd80/06171916322D

 31 35  0  0  0  0  0  0  0  0999 V2000
   -1.8833    1.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3708    2.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3708    1.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6542   -1.8542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8292   -1.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4917   -2.5292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1042   -3.0792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8250   -2.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1500    2.2125    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.1500    1.3875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.0583    1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6458    1.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167   -1.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1083    3.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1083    0.3458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1792    1.0833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0583    0.3708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8292   -0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917   -1.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    2.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917    0.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1750   -1.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8625    2.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8625    0.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1792   -0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167    0.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5625   -3.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3125   -2.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5042   -1.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5 13  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  4  1  0  0  0  0
  9  2  1  0  0  0  0
 10  3  1  0  0  0  0
 11  1  1  0  0  0  0
 12 11  1  0  0  0  0
 13 18  2  0  0  0  0
 14  2  2  0  0  0  0
 15  3  2  0  0  0  0
 16 12  1  0  0  0  0
 17 12  2  0  0  0  0
 18 27  1  0  0  0  0
 19 26  2  0  0  0  0
 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
 22 16  1  0  0  0  0
 23  4  1  0  0  0  0
 24  9  1  0  0  0  0
 25 10  1  0  0  0  0
 26 22  1  0  0  0  0
 27 22  2  0  0  0  0
 28  8  1  0  0  0  0
 29 23  1  0  0  0  0
 30 28  1  0  0  0  0
 31 29  1  0  0  0  0
 10  9  1  0  0  0  0
 21 20  2  0  0  0  0
 13 19  1  0  0  0  0
  8  7  2  0  0  0  0
 31 30  1  0  0  0  0
M  END
>  <Mol_ID> (2,200)
2200

>  <Formula> (2,200)
C23H25N5O3

>  <MolWeight> (2,200)
419.4763

>  <COMPOUND_NAME> (2,200)
WAY-626306

>  <BAR_CODE_NO> (2,200)
90460502

$$$$
WAY-626309
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    1.7917   -1.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2792   -2.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667   -1.5042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0250   -2.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2792   -0.8417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542   -0.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0625   -1.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0625   -1.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083    1.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5750   -3.5750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667   -0.0792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708   -0.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6833    1.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167   -3.1292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6833   -0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083   -0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083    2.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7458    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    2.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208    3.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7458    3.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9 15  1  0  0  0  0
 10  4  2  0  0  0  0
 11  6  2  0  0  0  0
 12  6  1  0  0  0  0
 13  9  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  2  0  0  0  0
 16  4  1  0  0  0  0
 17 12  1  0  0  0  0
 18 17  2  0  0  0  0
 19 17  1  0  0  0  0
 20 13  1  0  0  0  0
 21 13  2  0  0  0  0
 22 21  1  0  0  0  0
 23 20  2  0  0  0  0
 24 22  2  0  0  0  0
  8  7  2  0  0  0  0
  9 14  2  0  0  0  0
 24 23  1  0  0  0  0
M  END
>  <Mol_ID> (2,201)
2201

>  <Formula> (2,201)
C19H16N2O2S

>  <MolWeight> (2,201)
336.40754

>  <COMPOUND_NAME> (2,201)
WAY-626309

>  <BAR_CODE_NO> (2,201)
90460505

$$$$
WAY-626332
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -0.7375    1.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833    0.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167    0.5250    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.2583    2.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7375    2.8125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5250    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0250   -0.8750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792   -0.2625    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.5250    2.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833   -2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3792   -0.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0375    0.0833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792   -1.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8750    1.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6375   -1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9375    0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3333   -1.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708   -2.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -0.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7417    0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417   -1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2375    1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8042   -0.9417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6333   -2.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2375    2.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0542   -1.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3750   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9583    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9583    2.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  2  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  8  1  0  0  0  0
  8  3  1  0  0  0  0
  9  6  2  0  0  0  0
 10 18  1  0  0  0  0
 11  8  1  0  0  0  0
 12  2  2  0  0  0  0
 13  7  1  0  0  0  0
 14  7  1  0  0  0  0
 15  3  1  0  0  0  0
 16 11  1  0  0  0  0
 17 11  2  0  0  0  0
 18 14  1  0  0  0  0
 19 13  1  0  0  0  0
 20 21  2  0  0  0  0
 21 17  1  0  0  0  0
 22 16  2  0  0  0  0
 23  6  1  0  0  0  0
 24 20  1  0  0  0  0
 25 10  1  0  0  0  0
 26  9  1  0  0  0  0
 27 24  1  0  0  0  0
 28 25  1  0  0  0  0
 29 23  2  0  0  0  0
 30 29  1  0  0  0  0
  9  5  1  0  0  0  0
 30 26  2  0  0  0  0
 20 22  1  0  0  0  0
 19 10  1  0  0  0  0
M  END
>  <Mol_ID> (2,202)
2202

>  <Formula> (2,202)
C24H29N3O3

>  <MolWeight> (2,202)
407.50536

>  <COMPOUND_NAME> (2,202)
WAY-626332

>  <BAR_CODE_NO> (2,202)
90460528

$$$$
WAY-626365
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -0.5000    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000    1.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2875    0.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792    0.0625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7708    0.7333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8292    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2875    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042    0.0208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5917    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3167   -0.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3167    0.6833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3500   -0.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1000   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1000    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042    1.4458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6083   -1.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0500   -2.2875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458    2.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9000   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7667   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4083   -1.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7083   -0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9625   -1.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  7  2  1  0  0  0  0
  8 10  1  0  0  0  0
  9  2  1  0  0  0  0
 10 11  1  0  0  0  0
 11  6  1  0  0  0  0
 12  8  2  0  0  0  0
 13  8  1  0  0  0  0
 14  3  1  0  0  0  0
 15 14  1  0  0  0  0
 16 12  1  0  0  0  0
 17 13  1  0  0  0  0
 18 11  2  0  0  0  0
 19 15  2  0  0  0  0
 20 19  1  0  0  0  0
 21  9  1  0  0  0  0
 22 15  1  0  0  0  0
 23 16  1  0  0  0  0
 24 19  1  0  0  0  0
 25 22  2  0  0  0  0
 26 25  1  0  0  0  0
  5  9  2  0  0  0  0
  7  6  2  0  0  0  0
 26 24  2  0  0  0  0
 17 16  2  0  0  0  0
M  END
>  <Mol_ID> (2,203)
2203

>  <Formula> (2,203)
C18H15ClN4OS2

>  <MolWeight> (2,203)
402.9209

>  <COMPOUND_NAME> (2,203)
WAY-626365

>  <BAR_CODE_NO> (2,203)
90460562

$$$$
WAY-626394
csChFnd80/06171916322D

 29 31  0  0  0  0  0  0  0  0999 V2000
   -0.0958   -0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833   -0.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0958   -1.6542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417    3.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5583    3.4333    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.6917   -1.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6917   -0.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000    3.8750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3458    0.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000    2.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3458   -2.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8208    4.2125    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.1125    2.8208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0500    1.8625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042    1.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1583    0.6375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042    3.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042    2.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1583   -2.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042   -3.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4083   -0.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3542   -1.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583   -4.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8625    2.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0500   -3.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4083   -3.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1125   -4.7917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1542    4.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5583   -5.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4 10  2  0  0  0  0
  5  4  1  0  0  0  0
  6  7  2  0  0  0  0
  7  1  1  0  0  0  0
  8  4  1  0  0  0  0
  9  1  1  0  0  0  0
 10 14  1  0  0  0  0
 11  3  1  0  0  0  0
 12  5  1  0  0  0  0
 13  5  2  0  0  0  0
 14 15  1  0  0  0  0
 15  9  1  0  0  0  0
 16  9  2  0  0  0  0
 17 24  1  0  0  0  0
 18 10  1  0  0  0  0
 19 11  2  0  0  0  0
 20 11  1  0  0  0  0
 21  2  1  0  0  0  0
 22  6  1  0  0  0  0
 23 25  1  0  0  0  0
 24 18  2  0  0  0  0
 25 20  2  0  0  0  0
 26 19  1  0  0  0  0
 27 23  1  0  0  0  0
 28 17  1  0  0  0  0
 29 27  1  0  0  0  0
  6  3  1  0  0  0  0
 23 26  2  0  0  0  0
 17  8  2  0  0  0  0
M  END
>  <Mol_ID> (2,204)
2204

>  <Formula> (2,204)
C21H21N3O5

>  <MolWeight> (2,204)
395.40854

>  <COMPOUND_NAME> (2,204)
WAY-626394

>  <BAR_CODE_NO> (2,204)
90460592

$$$$
WAY-626403
csChFnd80/06171916322D

 34 37  0  0  0  0  0  0  0  0999 V2000
    2.2250   -0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3125    0.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5292    0.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1167    0.8708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9792   -0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5125   -0.5375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4875   -1.7750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7750   -1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4875   -0.1250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7750   -0.5375    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.8000   -0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0583   -0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458   -0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2083   -1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2083   -0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7000    1.2458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333   -0.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4542    1.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792   -0.5375    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.0583   -1.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458   -1.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3542    0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1542   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9208   -1.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9208   -0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792   -1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2750    1.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9667    2.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6333   -1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6333   -0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3042    3.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6125    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1250    3.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  5  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  1  0  0  0  0
  7  8  1  0  0  0  0
  8 10  1  0  0  0  0
  9 10  1  0  0  0  0
 10 12  1  0  0  0  0
 11  6  1  0  0  0  0
 12 13  1  0  0  0  0
 13 17  1  0  0  0  0
 14 15  2  0  0  0  0
 15  9  1  0  0  0  0
 16  2  2  0  0  0  0
 17 19  1  0  0  0  0
 18  4  1  0  0  0  0
 19 11  1  0  0  0  0
 20  8  2  0  0  0  0
 21 11  2  0  0  0  0
 22 13  2  0  0  0  0
 23  3  1  0  0  0  0
 24  5  1  0  0  0  0
 25 14  1  0  0  0  0
 26 15  1  0  0  0  0
 27 19  1  0  0  0  0
 28 18  1  0  0  0  0
 29 18  2  0  0  0  0
 30 31  1  0  0  0  0
 31 26  2  0  0  0  0
 32 29  1  0  0  0  0
 33 28  2  0  0  0  0
 34 32  2  0  0  0  0
  4  3  1  0  0  0  0
 34 33  1  0  0  0  0
 14  7  1  0  0  0  0
 25 30  2  0  0  0  0
M  END
>  <Mol_ID> (2,205)
2205

>  <Formula> (2,205)
C24H24N4O5S

>  <MolWeight> (2,205)
480.53616

>  <COMPOUND_NAME> (2,205)
WAY-626403

>  <BAR_CODE_NO> (2,205)
90460601

$$$$
WAY-626415
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
    2.1417   -1.0792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6625   -0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1417    0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9292   -0.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9292   -0.8292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8917   -1.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6375    1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0500    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792   -2.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8375   -0.4167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0500    0.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6375    2.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8750    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8750    3.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292   -2.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2875    2.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0500    3.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2875    3.8708    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417   -2.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1875   -3.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8125    1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4250    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3792   -3.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167   -2.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4000    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7 21  1  0  0  0  0
  8  7  1  0  0  0  0
  9  6  1  0  0  0  0
 10  2  1  0  0  0  0
 11  7  2  0  0  0  0
 12  8  1  0  0  0  0
 13  8  2  0  0  0  0
 14 16  2  0  0  0  0
 15  9  2  0  0  0  0
 16 13  1  0  0  0  0
 17 12  2  0  0  0  0
 18 14  1  0  0  0  0
 19  6  2  0  0  0  0
 20 19  1  0  0  0  0
 21 25  1  0  0  0  0
 22 10  1  0  0  0  0
 23 20  2  0  0  0  0
 24 15  1  0  0  0  0
 25 22  1  0  0  0  0
  3  4  1  0  0  0  0
 23 15  1  0  0  0  0
 14 17  1  0  0  0  0
M  END
>  <Mol_ID> (2,206)
2206

>  <Formula> (2,206)
C18H17FN4OS

>  <MolWeight> (2,206)
356.4171832

>  <COMPOUND_NAME> (2,206)
WAY-626415

>  <BAR_CODE_NO> (2,206)
90460614

$$$$
WAY-626446
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -0.8708    0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7000    2.1333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3583   -0.3792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3583    0.9583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9167    2.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1458   -0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1458    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4292    1.7208    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.6042    1.7208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1917    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458    0.2875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1000   -1.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4792    2.3958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1917    2.7958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9167    1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7000    1.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042    0.2875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6583   -1.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958   -2.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8583   -0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8583    1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1917    2.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9500   -3.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5958   -2.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5708   -0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5708    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333   -3.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6958   -3.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8875   -4.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  8  1  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 17  1  0  0  0  0
 11  1  1  0  0  0  0
 12  3  1  0  0  0  0
 13  2  2  0  0  0  0
 14  2  2  0  0  0  0
 15  8  1  0  0  0  0
 16 15  1  0  0  0  0
 17 11  1  0  0  0  0
 18 10  2  0  0  0  0
 19 12  1  0  0  0  0
 20 19  1  0  0  0  0
 21  6  1  0  0  0  0
 22  7  1  0  0  0  0
 23  9  1  0  0  0  0
 24 20  1  0  0  0  0
 25 20  2  0  0  0  0
 26 21  2  0  0  0  0
 27 22  2  0  0  0  0
 28 25  1  0  0  0  0
 29 24  2  0  0  0  0
 30 28  2  0  0  0  0
  6  7  2  0  0  0  0
 26 27  1  0  0  0  0
  2 16  1  0  0  0  0
 30 29  1  0  0  0  0
M  END
>  <Mol_ID> (2,207)
2207

>  <Formula> (2,207)
C22H25N3O3S2

>  <MolWeight> (2,207)
443.5822

>  <COMPOUND_NAME> (2,207)
WAY-626446

>  <BAR_CODE_NO> (2,207)
90460649

$$$$
WAY-626453
csChFnd80/06171916322D

 24 27  0  0  0  0  0  0  0  0999 V2000
    0.3500   -0.4792    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.8250    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292   -1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3500   -1.8167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4375   -0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542    0.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    1.4708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.2000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4375   -1.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8917    0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542   -1.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542    0.3458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6750    1.2583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042   -2.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1500   -0.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1500   -1.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8375    0.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8708   -0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8708   -1.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6250    0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000    2.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8083    1.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  2  0  0  0  0
  7  6  1  0  0  0  0
  8  2  1  0  0  0  0
  9  5  2  0  0  0  0
 10  8  1  0  0  0  0
 11  3  2  0  0  0  0
 12  6  1  0  0  0  0
 13  1  1  0  0  0  0
 14 10  1  0  0  0  0
 15  4  1  0  0  0  0
 16  5  1  0  0  0  0
 17  9  1  0  0  0  0
 18 12  1  0  0  0  0
 19 12  2  0  0  0  0
 20 16  2  0  0  0  0
 21 20  1  0  0  0  0
 22 19  1  0  0  0  0
 23 18  2  0  0  0  0
 24 22  2  0  0  0  0
  9  4  1  0  0  0  0
  7 10  2  0  0  0  0
 21 17  2  0  0  0  0
 24 23  1  0  0  0  0
M  END
>  <Mol_ID> (2,208)
2208

>  <Formula> (2,208)
C18H15N3O2S

>  <MolWeight> (2,208)
337.3956

>  <COMPOUND_NAME> (2,208)
WAY-626453

>  <BAR_CODE_NO> (2,208)
90460657

$$$$
WAY-626466
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    0.5667   -0.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3750   -0.3792    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.3125   -1.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167    0.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667   -1.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958   -0.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958   -1.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0875    1.2833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9292   -0.9917    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.3833    2.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6292    0.4083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8708    3.3583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0458   -0.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1500    0.3333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6000    2.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3833    4.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6000    3.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6375    1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6667   -1.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6125   -2.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1625   -3.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2250   -2.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9667   -3.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  7  1  0  0  0  0
  7  4  2  0  0  0  0
  8  3  1  0  0  0  0
  9  6  1  0  0  0  0
 10  2  1  0  0  0  0
 11 19  1  0  0  0  0
 12  2  2  0  0  0  0
 13 11  1  0  0  0  0
 14  7  1  0  0  0  0
 15  6  2  0  0  0  0
 16 11  2  0  0  0  0
 17 13  1  0  0  0  0
 18 16  1  0  0  0  0
 19  9  1  0  0  0  0
 20  5  1  0  0  0  0
 21  5  1  0  0  0  0
 22 21  1  0  0  0  0
 23 20  1  0  0  0  0
 24 22  1  0  0  0  0
 14  8  2  0  0  0  0
 24 23  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (2,209)
2209

>  <Formula> (2,209)
C17H19N3O4

>  <MolWeight> (2,209)
329.35046

>  <COMPOUND_NAME> (2,209)
WAY-626466

>  <BAR_CODE_NO> (2,209)
90460671

$$$$
WAY-626478
csChFnd80/06171916322D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -1.0208   -1.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7375   -1.3917    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.0208   -2.6292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083   -1.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7375   -0.5667    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.4500   -1.8042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042    2.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083   -3.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042   -1.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042    3.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167    1.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042   -2.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083    3.5583    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083   -0.5667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167    1.0833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8292    3.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167    3.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8292    2.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083   -3.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  2  1  0  0  0  0
  6  2  2  0  0  0  0
  7 11  2  0  0  0  0
  8  3  2  0  0  0  0
  9  4  1  0  0  0  0
 10  7  1  0  0  0  0
 11 15  1  0  0  0  0
 12  9  2  0  0  0  0
 13 10  1  0  0  0  0
 14  4  1  0  0  0  0
 15 21  1  0  0  0  0
 16 18  2  0  0  0  0
 17 16  1  0  0  0  0
 18 11  1  0  0  0  0
 19  8  1  0  0  0  0
 20 14  1  0  0  0  0
 21 20  1  0  0  0  0
 12  8  1  0  0  0  0
 17 10  2  0  0  0  0
M  END
>  <Mol_ID> (2,210)
2210

>  <Formula> (2,210)
C14H13BrN2O4

>  <MolWeight> (2,210)
353.16802

>  <COMPOUND_NAME> (2,210)
WAY-626478

>  <BAR_CODE_NO> (2,210)
90460683

$$$$
WAY-626481
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
    0.3417    1.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1292    1.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3417    2.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1292    2.7708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708    1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708    2.9250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833    1.6875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3792    0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833   -0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833    2.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708    0.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8000   -1.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708   -1.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292    0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917    0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833    0.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8917   -0.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0875   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1500   -1.7042    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8000   -2.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1333   -2.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4708   -2.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2125   -3.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3875   -3.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  2  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8  6  2  0  0  0  0
  9  2  1  0  0  0  0
 10 17  1  0  0  0  0
 11  8  1  0  0  0  0
 12  6  1  0  0  0  0
 13 10  1  0  0  0  0
 14 10  2  0  0  0  0
 15  9  2  0  0  0  0
 16  9  1  0  0  0  0
 17 12  1  0  0  0  0
 18 19  1  0  0  0  0
 19 16  2  0  0  0  0
 20 15  1  0  0  0  0
 21 18  1  0  0  0  0
 22 13  1  0  0  0  0
 23 22  1  0  0  0  0
 24 22  1  0  0  0  0
 25 24  1  0  0  0  0
 26 23  1  0  0  0  0
  5  3  1  0  0  0  0
 11  7  2  0  0  0  0
 18 20  2  0  0  0  0
 26 25  1  0  0  0  0
M  END
>  <Mol_ID> (2,211)
2211

>  <Formula> (2,211)
C19H18FN3O2S

>  <MolWeight> (2,211)
371.4285232

>  <COMPOUND_NAME> (2,211)
WAY-626481

>  <BAR_CODE_NO> (2,211)
90460686

$$$$
WAY-626490
csChFnd80/06171916322D

 30 32  0  0  0  0  0  0  0  0999 V2000
    1.6875    1.6958    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6000   -2.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3125   -2.0167    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.9750    1.2833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6000   -3.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583    0.4583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4042    2.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8833   -2.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2750    2.4083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.9833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542    1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9750    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3125   -1.1917    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -4.0333   -2.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8833   -1.1917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708   -0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8833    0.4583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8833   -3.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4042    2.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1167    1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708   -2.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8292    2.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708   -3.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8292    2.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1167    3.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5417    3.3458    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.8833   -4.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  9  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6 17  1  0  0  0  0
  7  6  1  0  0  0  0
  8  1  1  0  0  0  0
  9 18  1  0  0  0  0
 10  1  2  0  0  0  0
 11  1  2  0  0  0  0
 12  4  1  0  0  0  0
 13  4  1  0  0  0  0
 14  3  1  0  0  0  0
 15  3  2  0  0  0  0
 16 12  1  0  0  0  0
 17 13  1  0  0  0  0
 18 19  1  0  0  0  0
 19  7  1  0  0  0  0
 20  7  2  0  0  0  0
 21 26  1  0  0  0  0
 22  8  2  0  0  0  0
 23  8  1  0  0  0  0
 24  9  1  0  0  0  0
 25 27  1  0  0  0  0
 26 24  2  0  0  0  0
 27 23  2  0  0  0  0
 28 22  1  0  0  0  0
 29 25  1  0  0  0  0
 30 21  1  0  0  0  0
 25 28  2  0  0  0  0
  6 16  1  0  0  0  0
 21  5  2  0  0  0  0
M  END
>  <Mol_ID> (2,212)
2212

>  <Formula> (2,212)
C18H19ClN4O6S

>  <MolWeight> (2,212)
454.88466

>  <COMPOUND_NAME> (2,212)
WAY-626490

>  <BAR_CODE_NO> (2,212)
90460695

$$$$
WAY-626492
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -0.5458   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3333    0.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8125   -0.5125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3333   -1.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8792    1.5083    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.9667    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458   -0.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1250    0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7167    0.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3000    0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5417    1.9958    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.1250    1.8458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6375   -0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5417    0.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792    0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0375    1.2083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5833    0.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5833   -1.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8042   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792   -0.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0500    0.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0500   -1.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1375   -0.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8750   -1.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8750    0.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2875   -0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  7  2  0  0  0  0
  5  6  1  0  0  0  0
  6 10  2  0  0  0  0
  7  1  1  0  0  0  0
  8  1  1  0  0  0  0
  9  6  1  0  0  0  0
 10 14  1  0  0  0  0
 11  5  1  0  0  0  0
 12  5  2  0  0  0  0
 13  3  1  0  0  0  0
 14 15  1  0  0  0  0
 15  8  1  0  0  0  0
 16  8  2  0  0  0  0
 17  2  1  0  0  0  0
 18  4  1  0  0  0  0
 19 23  1  0  0  0  0
 20 10  1  0  0  0  0
 21 13  1  0  0  0  0
 22 13  2  0  0  0  0
 23 20  2  0  0  0  0
 24 22  1  0  0  0  0
 25 21  2  0  0  0  0
 26 24  2  0  0  0  0
  3  4  1  0  0  0  0
 26 25  1  0  0  0  0
 19  9  2  0  0  0  0
M  END
>  <Mol_ID> (2,213)
2213

>  <Formula> (2,213)
C19H17N3O4

>  <MolWeight> (2,213)
351.35598

>  <COMPOUND_NAME> (2,213)
WAY-626492

>  <BAR_CODE_NO> (2,213)
90460697

$$$$
WAY-626512
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
    0.8625    0.1458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792   -0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6958   -0.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417   -1.1625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1500   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4833   -0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9625   -0.9792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167   -1.0750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6958   -1.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4833   -1.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2792   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0250   -0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083    0.0708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9500    0.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6167    0.5208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8917   -0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708   -0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4417    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6125   -0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1125    0.7375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7875   -0.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7333    0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7042    1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7333   -2.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3667    0.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7917    2.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5417    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1250    1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2125    1.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3 12  1  0  0  0  0
  4  2  2  0  0  0  0
  5  1  1  0  0  0  0
  6  3  2  0  0  0  0
  7  6  1  0  0  0  0
  8  5  2  0  0  0  0
  9  3  1  0  0  0  0
 10  9  2  0  0  0  0
 11  2  1  0  0  0  0
 12 17  1  0  0  0  0
 13  5  1  0  0  0  0
 14  1  1  0  0  0  0
 15 11  1  0  0  0  0
 16 11  2  0  0  0  0
 17 13  1  0  0  0  0
 18 15  1  0  0  0  0
 19 16  1  0  0  0  0
 20 12  2  0  0  0  0
 21  7  1  0  0  0  0
 22  6  1  0  0  0  0
 23 14  1  0  0  0  0
 24 10  1  0  0  0  0
 25 23  1  0  0  0  0
 26 23  2  0  0  0  0
 27 26  1  0  0  0  0
 28 25  2  0  0  0  0
 29 27  2  0  0  0  0
  4  8  1  0  0  0  0
 18 19  2  0  0  0  0
 29 28  1  0  0  0  0
  7 10  1  0  0  0  0
M  END
>  <Mol_ID> (2,214)
2214

>  <Formula> (2,214)
C22H22N4OS2

>  <MolWeight> (2,214)
422.56628

>  <COMPOUND_NAME> (2,214)
WAY-626512

>  <BAR_CODE_NO> (2,214)
90460717

$$$$
WAY-626521
csChFnd80/06171916322D

 30 32  0  0  0  0  0  0  0  0999 V2000
   -0.8375    2.3833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8375    1.5583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042   -2.1542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917   -2.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8375   -0.0917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167   -2.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8375   -0.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917   -3.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8375    3.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167   -3.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6625    2.3833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0125    2.3833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5500    1.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208    1.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208   -2.1542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042   -3.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5500    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208   -1.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5500   -1.3292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5500    3.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208    3.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7375   -2.1542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8375    4.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208    4.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5500    4.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8375    5.6667    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.3042   -4.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167   -5.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167   -5.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  2  0  0  0  0
  4 15  1  0  0  0  0
  5 18  1  0  0  0  0
  6  3  1  0  0  0  0
  7  5  1  0  0  0  0
  8  4  1  0  0  0  0
  9  1  1  0  0  0  0
 10 16  1  0  0  0  0
 11  1  2  0  0  0  0
 12  1  2  0  0  0  0
 13  2  1  0  0  0  0
 14  2  1  0  0  0  0
 15 19  1  0  0  0  0
 16  8  2  0  0  0  0
 17 13  1  0  0  0  0
 18 14  1  0  0  0  0
 19  7  1  0  0  0  0
 20  7  2  0  0  0  0
 21  9  2  0  0  0  0
 22  9  1  0  0  0  0
 23  6  1  0  0  0  0
 24 25  1  0  0  0  0
 25 22  2  0  0  0  0
 26 21  1  0  0  0  0
 27 24  1  0  0  0  0
 28 16  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 24 26  2  0  0  0  0
  5 17  1  0  0  0  0
  6 10  2  0  0  0  0
M  END
>  <Mol_ID> (2,215)
2215

>  <Formula> (2,215)
C19H23ClN4O4S2

>  <MolWeight> (2,215)
470.99332

>  <COMPOUND_NAME> (2,215)
WAY-626521

>  <BAR_CODE_NO> (2,215)
90460726

$$$$
WAY-626534
csChFnd80/06171916322D

 30 34  0  0  0  0  0  0  0  0999 V2000
   -1.4833   -0.1792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042    0.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542   -0.1417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1042    0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1708   -0.4542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.9792    0.3833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6500   -0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7250    0.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1958    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2167    1.1833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0250    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833   -1.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9083   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6208    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8250   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6208    1.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0083   -1.5542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5375    0.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1292   -1.0417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3458   -0.1792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1958    1.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3458    1.4708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9083    1.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2542   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0500    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0500    1.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8250   -1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2542   -1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5375   -1.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  8  6  1  0  0  0  0
  9  1  1  0  0  0  0
 10  1  1  0  0  0  0
 11  2  1  0  0  0  0
 12 11  1  0  0  0  0
 13  4  1  0  0  0  0
 14 10  2  0  0  0  0
 15 14  1  0  0  0  0
 16  5  1  0  0  0  0
 17 24  1  0  0  0  0
 18  4  2  0  0  0  0
 19 16  2  0  0  0  0
 20  8  2  0  0  0  0
 21 15  1  0  0  0  0
 22 10  1  0  0  0  0
 23 17  1  0  0  0  0
 24 22  2  0  0  0  0
 25 19  1  0  0  0  0
 26 21  1  0  0  0  0
 27 23  1  0  0  0  0
 28 16  1  0  0  0  0
 29 30  1  0  0  0  0
 30 28  2  0  0  0  0
 13  6  1  0  0  0  0
 17 15  2  0  0  0  0
 26 27  1  0  0  0  0
 12  5  2  0  0  0  0
 29 25  2  0  0  0  0
M  END
>  <Mol_ID> (2,216)
2216

>  <Formula> (2,216)
C21H18N4O4S

>  <MolWeight> (2,216)
422.45702

>  <COMPOUND_NAME> (2,216)
WAY-626534

>  <BAR_CODE_NO> (2,216)
90460739

$$$$
WAY-626605
csChFnd80/06171916322D

 26 27  0  0  0  0  0  0  0  0999 V2000
   -2.6708   -1.3417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3833   -0.1042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9583   -0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3833   -0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9583   -0.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6708    0.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375    0.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0958   -1.3417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6708    1.1333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042   -0.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375   -1.3417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5250   -0.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917    0.3083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3292   -0.1042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375    1.1333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042   -0.9292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6708   -2.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0958    0.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6167    0.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0500    0.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4792    1.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1917    1.5458    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7625   -0.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0500    1.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7625    1.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4792    0.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  2  0  0  0  0
  6  2  1  0  0  0  0
  7  5  1  0  0  0  0
  8  4  2  0  0  0  0
  9  6  2  0  0  0  0
 10 13  1  0  0  0  0
 11  3  1  0  0  0  0
 12  7  1  0  0  0  0
 13 12  1  0  0  0  0
 14 19  1  0  0  0  0
 15  7  2  0  0  0  0
 16 10  2  0  0  0  0
 17  1  1  0  0  0  0
 18  2  1  0  0  0  0
 19 10  1  0  0  0  0
 20 14  1  0  0  0  0
 21 25  2  0  0  0  0
 22 21  1  0  0  0  0
 23 20  1  0  0  0  0
 24 20  2  0  0  0  0
 25 24  1  0  0  0  0
 26 23  2  0  0  0  0
  6  5  1  0  0  0  0
 21 26  1  0  0  0  0
M  END
>  <Mol_ID> (2,217)
2217

>  <Formula> (2,217)
C16H16ClN3O5S

>  <MolWeight> (2,217)
397.83334

>  <COMPOUND_NAME> (2,217)
WAY-626605

>  <BAR_CODE_NO> (2,217)
90460812

$$$$
WAY-626648
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
    2.1917    0.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8542   -0.6292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5792    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0375   -0.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3958   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1833    0.0708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3958   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1125    0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7333    0.3083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6708   -0.5917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1833   -1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9750   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5583    0.1208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0250    1.4208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8958   -0.8542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3083    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6667    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4875   -1.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4375   -2.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5542   -0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2542    1.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0625    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3542   -0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6125    0.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  2  0  0  0  0
  6 10  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
  9  2  1  0  0  0  0
 10 13  1  0  0  0  0
 11  7  1  0  0  0  0
 12  8  2  0  0  0  0
 13 18  1  0  0  0  0
 14  1  1  0  0  0  0
 15  9  1  0  0  0  0
 16  9  2  0  0  0  0
 17 13  2  0  0  0  0
 18 15  1  0  0  0  0
 19  4  1  0  0  0  0
 20  5  1  0  0  0  0
 21 12  1  0  0  0  0
 22 14  1  0  0  0  0
 23 14  2  0  0  0  0
 24 23  1  0  0  0  0
 25 22  2  0  0  0  0
 26 24  2  0  0  0  0
  5  2  1  0  0  0  0
 26 25  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (2,218)
2218

>  <Formula> (2,218)
C18H18N4O4

>  <MolWeight> (2,218)
354.35992

>  <COMPOUND_NAME> (2,218)
WAY-626648

>  <BAR_CODE_NO> (2,218)
90460855

$$$$
WAY-626702
csChFnd80/06171916322D

 24 27  0  0  0  0  0  0  0  0999 V2000
    0.2500    1.8500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333    2.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7292    2.5208    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.5333    2.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042    1.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2500    3.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667   -2.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458    0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7250   -3.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292   -4.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6417   -3.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042   -0.3292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7167   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583    0.6208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3875   -3.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0958   -1.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3458   -0.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6458   -2.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2500    1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2500    3.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5542    2.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9708    2.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9708    2.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7 14  1  0  0  0  0
  8  5  1  0  0  0  0
  9 16  1  0  0  0  0
 10  7  1  0  0  0  0
 11  9  1  0  0  0  0
 12 10  1  0  0  0  0
 13  8  1  0  0  0  0
 14 17  2  0  0  0  0
 15  8  2  0  0  0  0
 16 19  2  0  0  0  0
 17 18  1  0  0  0  0
 18 13  1  0  0  0  0
 19 17  1  0  0  0  0
 20  2  1  0  0  0  0
 21  4  1  0  0  0  0
 22  3  1  0  0  0  0
 23 20  2  0  0  0  0
 24 23  1  0  0  0  0
  4  6  1  0  0  0  0
 24 21  2  0  0  0  0
  9  7  2  0  0  0  0
 12 11  1  0  0  0  0
M  END
>  <Mol_ID> (2,219)
2219

>  <Formula> (2,219)
C19H20N2O3

>  <MolWeight> (2,219)
324.3737

>  <COMPOUND_NAME> (2,219)
WAY-626702

>  <BAR_CODE_NO> (2,219)
90460910

$$$$
WAY-626713
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
    0.6500   -0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0792   -0.6417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708    1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3625   -1.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6500    0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3625    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6500    1.8333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0792    0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3625    1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8500    1.6708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8500    0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3375    1.0083    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.0708   -1.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833   -1.4667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3625   -1.8792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7917    0.5958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0792    1.8333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1625    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6500   -2.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0792   -2.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5750    1.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5750    0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6500   -3.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0792   -3.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4000    0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4000    1.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8125    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  7  2  0  0  0  0
  4  1  2  0  0  0  0
  5  1  1  0  0  0  0
  6  5  2  0  0  0  0
  7  5  1  0  0  0  0
  8  3  1  0  0  0  0
  9  6  1  0  0  0  0
 10  6  1  0  0  0  0
 11  3  1  0  0  0  0
 12  7  1  0  0  0  0
 13 12  1  0  0  0  0
 14  1  1  0  0  0  0
 15 14  3  0  0  0  0
 16  4  1  0  0  0  0
 17  9  1  0  0  0  0
 18 10  1  0  0  0  0
 19 13  1  0  0  0  0
 20 16  1  0  0  0  0
 21 16  1  0  0  0  0
 22 19  1  0  0  0  0
 23 19  2  0  0  0  0
 24 20  1  0  0  0  0
 25 21  1  0  0  0  0
 26 23  1  0  0  0  0
 27 22  2  0  0  0  0
 28 26  2  0  0  0  0
  8 10  2  0  0  0  0
  9  2  2  0  0  0  0
 13 11  1  0  0  0  0
 28 27  1  0  0  0  0
M  END
>  <Mol_ID> (2,220)
2220

>  <Formula> (2,220)
C21H22N6O

>  <MolWeight> (2,220)
374.43898

>  <COMPOUND_NAME> (2,220)
WAY-626713

>  <BAR_CODE_NO> (2,220)
90460922

$$$$
WAY-626736
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -3.1708   -0.0167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1708   -1.3542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6875   -0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6125    0.7458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542    0.7458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2125    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9583   -0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9583   -1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0875    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0250    1.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0250    0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8500    1.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8500    0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6250    1.4583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8625   -0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0875   -0.6875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6250    0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4500    0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    1.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6708    0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6708   -1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3250    0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0875   -2.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3250    1.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3958   -1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3958   -0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7375    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  2  0  0  0  0
  4  6  1  0  0  0  0
  5 13  1  0  0  0  0
  6 18  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  2  0  0  0  0
  9  5  1  0  0  0  0
 10  4  1  0  0  0  0
 11  4  1  0  0  0  0
 12 10  1  0  0  0  0
 13 11  1  0  0  0  0
 14  6  2  0  0  0  0
 15  9  2  0  0  0  0
 16  3  1  0  0  0  0
 17 15  1  0  0  0  0
 18 19  1  0  0  0  0
 19 16  1  0  0  0  0
 20  9  1  0  0  0  0
 21  7  1  0  0  0  0
 22  8  1  0  0  0  0
 23 15  1  0  0  0  0
 24 17  1  0  0  0  0
 25 24  1  0  0  0  0
 26 20  2  0  0  0  0
 27 28  1  0  0  0  0
 28 21  2  0  0  0  0
 29 26  1  0  0  0  0
  2  8  1  0  0  0  0
 27 22  2  0  0  0  0
 12  5  1  0  0  0  0
 29 23  2  0  0  0  0
M  END
>  <Mol_ID> (2,221)
2221

>  <Formula> (2,221)
C23H27N3O2S

>  <MolWeight> (2,221)
409.54438

>  <COMPOUND_NAME> (2,221)
WAY-626736

>  <BAR_CODE_NO> (2,221)
90460945

$$$$
WAY-626743
csChFnd80/06171916322D

 32 35  0  0  0  0  0  0  0  0999 V2000
    1.3792   -1.5417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3792   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3792   -2.3667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4750    1.7583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458    1.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7625    2.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6667   -2.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6667   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458    0.9333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042   -1.5417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542   -1.5417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0917   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1958    2.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6667    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6667    2.1708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6667   -3.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7625    2.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1958    2.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4750    3.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0917    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3792    0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3792   -4.0167    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8125   -0.7167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458   -2.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9083    1.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458   -4.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9083    3.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5250   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7625   -2.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6208    2.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7625   -3.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6208    2.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  6  2  0  0  0  0
  5  9  1  0  0  0  0
  6  5  1  0  0  0  0
  7  3  1  0  0  0  0
  8  2  1  0  0  0  0
  9 14  1  0  0  0  0
 10  1  2  0  0  0  0
 11  1  2  0  0  0  0
 12  2  2  0  0  0  0
 13  4  1  0  0  0  0
 14  8  2  0  0  0  0
 15  5  2  0  0  0  0
 16  7  2  0  0  0  0
 17  6  1  0  0  0  0
 18 19  1  0  0  0  0
 19 17  2  0  0  0  0
 20 12  1  0  0  0  0
 21 20  2  0  0  0  0
 22 16  1  0  0  0  0
 23 12  1  0  0  0  0
 24  7  1  0  0  0  0
 25 13  1  0  0  0  0
 26 16  1  0  0  0  0
 27 18  1  0  0  0  0
 28 23  1  0  0  0  0
 29 24  2  0  0  0  0
 30 25  2  0  0  0  0
 31 29  1  0  0  0  0
 32 27  2  0  0  0  0
 14 21  1  0  0  0  0
 31 26  2  0  0  0  0
 18 13  2  0  0  0  0
 30 32  1  0  0  0  0
M  END
>  <Mol_ID> (2,222)
2222

>  <Formula> (2,222)
C23H18ClN3O4S

>  <MolWeight> (2,222)
467.92472

>  <COMPOUND_NAME> (2,222)
WAY-626743

>  <BAR_CODE_NO> (2,222)
90460952

$$$$
WAY-626804
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -1.5083    1.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208    2.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2875    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083    2.7333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6792   -1.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8750   -1.3042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2500    0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6167   -0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2875    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9375   -2.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458    0.4375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2292   -0.8625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8000   -0.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667    0.0958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1875   -0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7417   -2.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0083    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0083    2.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0792   -3.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3542   -1.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7208    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7208    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0667   -2.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9000   -3.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  6  1  0  0  0  0
  6  8  1  0  0  0  0
  7  1  1  0  0  0  0
  8 15  1  0  0  0  0
  9  3  2  0  0  0  0
 10  5  1  0  0  0  0
 11  7  1  0  0  0  0
 12  5  2  0  0  0  0
 13  7  2  0  0  0  0
 14  8  2  0  0  0  0
 15 11  1  0  0  0  0
 16 10  1  0  0  0  0
 17  3  1  0  0  0  0
 18  9  1  0  0  0  0
 19 16  1  0  0  0  0
 20 16  1  0  0  0  0
 21 17  2  0  0  0  0
 22 21  1  0  0  0  0
 23 20  1  0  0  0  0
 24 19  1  0  0  0  0
  9  4  1  0  0  0  0
 22 18  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (2,223)
2223

>  <Formula> (2,223)
C16H18N4O4

>  <MolWeight> (2,223)
330.33852

>  <COMPOUND_NAME> (2,223)
WAY-626804

>  <BAR_CODE_NO> (2,223)
90461015

$$$$
WAY-626856
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -1.6708    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9583    0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1875   -0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9042   -2.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6708    2.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5667   -2.8667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1875   -1.1417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3833    0.9208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3833    2.5708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -2.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167   -3.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4750    0.9208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4917   -3.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9042    0.0958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9583    2.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9042   -1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4750    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458    2.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1000    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1000    2.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3 18  1  0  0  0  0
  4 17  1  0  0  0  0
  5  1  2  0  0  0  0
  6  4  1  0  0  0  0
  7  3  1  0  0  0  0
  8  1  1  0  0  0  0
  9  5  1  0  0  0  0
 10  4  2  0  0  0  0
 11  6  1  0  0  0  0
 12 15  1  0  0  0  0
 13 10  1  0  0  0  0
 14  3  2  0  0  0  0
 15  2  2  0  0  0  0
 16  5  1  0  0  0  0
 17  7  1  0  0  0  0
 18 12  1  0  0  0  0
 19 16  2  0  0  0  0
 20  8  1  0  0  0  0
 21 20  1  0  0  0  0
 21  9  1  0  0  0  0
 19 15  1  0  0  0  0
 11 13  2  0  0  0  0
M  END
>  <Mol_ID> (2,224)
2224

>  <Formula> (2,224)
C15H15NO4S

>  <MolWeight> (2,224)
305.3489

>  <COMPOUND_NAME> (2,224)
WAY-626856

>  <BAR_CODE_NO> (2,224)
90461070

$$$$
WAY-626861
csChFnd80/06171916322D

 22 23  0  0  0  0  0  0  0  0999 V2000
   -0.2583    3.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5125    2.7458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292    3.7833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417    2.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458    4.1875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3875   -3.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333   -3.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417    2.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6750   -2.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6833   -2.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333   -1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292   -2.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292    4.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292   -0.6667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2583    4.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208    1.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708   -3.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6458   -4.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000   -4.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3375    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  9  1  0  0  0  0
  8  4  2  0  0  0  0
  9 13  2  0  0  0  0
 10 12  1  0  0  0  0
 11 15  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  1  0  0  0  0
 14  3  1  0  0  0  0
 15 21  1  0  0  0  0
 16  5  1  0  0  0  0
 17  4  1  0  0  0  0
 18  6  1  0  0  0  0
 19  6  1  0  0  0  0
 20  6  1  0  0  0  0
 21 22  1  0  0  0  0
 22 17  1  0  0  0  0
 16 14  1  0  0  0  0
  7 10  2  0  0  0  0
M  END
>  <Mol_ID> (2,225)
2225

>  <Formula> (2,225)
C17H24N2O2S

>  <MolWeight> (2,225)
320.44966

>  <COMPOUND_NAME> (2,225)
WAY-626861

>  <BAR_CODE_NO> (2,225)
90461075

$$$$
WAY-626869
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
    1.7542   -1.7292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0417   -1.3167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3833   -0.4917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5250    2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8125    1.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958   -0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958    2.3958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750   -2.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3417   -2.4417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1667   -1.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0417   -0.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292   -1.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8125    3.6333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8125    1.1583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958    3.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292   -0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3833   -1.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5250    3.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8125   -0.4917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750   -2.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1875   -1.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9042   -2.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1875   -3.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9042   -2.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6167   -3.3792    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.2458    1.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2458    3.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9583    2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9583    3.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3 17  1  0  0  0  0
  4  5  2  0  0  0  0
  5 14  1  0  0  0  0
  6  3  1  0  0  0  0
  7  5  1  0  0  0  0
  8  1  1  0  0  0  0
  9  1  2  0  0  0  0
 10  1  2  0  0  0  0
 11  2  1  0  0  0  0
 12  2  1  0  0  0  0
 13 15  1  0  0  0  0
 14 19  1  0  0  0  0
 15  7  2  0  0  0  0
 16 11  1  0  0  0  0
 17 12  1  0  0  0  0
 18  4  1  0  0  0  0
 19  6  1  0  0  0  0
 20  6  2  0  0  0  0
 21  8  2  0  0  0  0
 22  8  1  0  0  0  0
 23 25  1  0  0  0  0
 24 21  1  0  0  0  0
 25 22  2  0  0  0  0
 26 23  1  0  0  0  0
 27  4  1  0  0  0  0
 28 18  1  0  0  0  0
 29 27  2  0  0  0  0
 30 29  1  0  0  0  0
 23 24  2  0  0  0  0
  3 16  1  0  0  0  0
 13 18  2  0  0  0  0
 30 28  2  0  0  0  0
M  END
>  <Mol_ID> (2,226)
2226

>  <Formula> (2,226)
C20H19ClN4O4S

>  <MolWeight> (2,226)
446.90726

>  <COMPOUND_NAME> (2,226)
WAY-626869

>  <BAR_CODE_NO> (2,226)
90461083

$$$$
WAY-626915
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -0.7083    1.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9625    1.7833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583    0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7500    2.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4125   -0.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042   -0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0750    1.2583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4958    0.7458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6667   -1.6917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7292   -2.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5167   -2.9042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7500    2.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9667   -0.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9625    3.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2417   -3.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5167   -3.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542   -1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7292   -3.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750   -1.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8125   -0.2167    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.4625    1.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4625    3.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1833    2.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1833    2.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  8  1  0  0  0  0
  7  2  1  0  0  0  0
  8  5  2  0  0  0  0
  9  1  2  0  0  0  0
 10  1  2  0  0  0  0
 11  3  2  0  0  0  0
 12  6  1  0  0  0  0
 13 23  1  0  0  0  0
 14 13  1  0  0  0  0
 15  4  2  0  0  0  0
 16  6  2  0  0  0  0
 17  7  1  0  0  0  0
 18 13  2  0  0  0  0
 19 14  1  0  0  0  0
 20 22  2  0  0  0  0
 21 18  1  0  0  0  0
 22 11  1  0  0  0  0
 23 12  1  0  0  0  0
 24 11  1  0  0  0  0
 25  4  1  0  0  0  0
 26 15  1  0  0  0  0
 27 25  2  0  0  0  0
 28 27  1  0  0  0  0
 15 17  1  0  0  0  0
  8 20  1  0  0  0  0
 28 26  2  0  0  0  0
 19 21  2  0  0  0  0
M  END
>  <Mol_ID> (2,227)
2227

>  <Formula> (2,227)
C20H17ClN2O4S

>  <MolWeight> (2,227)
416.87798

>  <COMPOUND_NAME> (2,227)
WAY-626915

>  <BAR_CODE_NO> (2,227)
90461130

$$$$
WAY-626975
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -0.1125   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1125   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1125   -3.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042    2.8958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042    4.5292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1125    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1125    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1125    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167    4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1125    4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2583   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2583   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3 10  2  0  0  0  0
  4  2  1  0  0  0  0
  5  8  1  0  0  0  0
  6  4  2  0  0  0  0
  7  1  1  0  0  0  0
  8 15  1  0  0  0  0
  9  2  2  0  0  0  0
 10  9  1  0  0  0  0
 11  1  2  0  0  0  0
 12 22  1  0  0  0  0
 13  7  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 13  2  0  0  0  0
 17 13  1  0  0  0  0
 18  5  1  0  0  0  0
 19  5  1  0  0  0  0
 20  4  1  0  0  0  0
 21  6  1  0  0  0  0
 22 19  1  0  0  0  0
 23 18  1  0  0  0  0
 24 10  1  0  0  0  0
 25 20  2  0  0  0  0
 26 25  1  0  0  0  0
  3  6  1  0  0  0  0
  8 14  2  0  0  0  0
 26 21  2  0  0  0  0
 12 23  1  0  0  0  0
M  END
>  <Mol_ID> (2,228)
2228

>  <Formula> (2,228)
C21H21N3O2

>  <MolWeight> (2,228)
347.41034

>  <COMPOUND_NAME> (2,228)
WAY-626975

>  <BAR_CODE_NO> (2,228)
90461190

$$$$
WAY-627000
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
    1.5292   -0.2292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167   -0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5292   -1.5667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7417   -0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7417   -1.3125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8417   -0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5542   -0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5542   -1.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792   -0.0042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7875    0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458    0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5208   -0.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6875   -0.8417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0958   -0.1917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2333    0.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5083   -0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8458   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2583    0.9708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6750   -0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7625    0.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2292    1.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5917    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8500    1.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4917    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2917    2.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  2  1  0  0  0  0
  7  6  1  0  0  0  0
  8  6  1  0  0  0  0
  9  4  1  0  0  0  0
 10  1  1  0  0  0  0
 11 19  1  0  0  0  0
 12 20  1  0  0  0  0
 13 12  1  0  0  0  0
 14 11  1  0  0  0  0
 15 12  2  0  0  0  0
 16 13  1  0  0  0  0
 17 15  1  0  0  0  0
 18 11  2  0  0  0  0
 19  9  1  0  0  0  0
 20 14  1  0  0  0  0
 21 10  2  0  0  0  0
 22 10  1  0  0  0  0
 23 22  2  0  0  0  0
 24 21  1  0  0  0  0
 25 23  1  0  0  0  0
  3  5  1  0  0  0  0
  7  8  1  0  0  0  0
 25 24  2  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (2,229)
2229

>  <Formula> (2,229)
C18H18N4O2S

>  <MolWeight> (2,229)
354.42612

>  <COMPOUND_NAME> (2,229)
WAY-627000

>  <BAR_CODE_NO> (2,229)
90461216

$$$$
WAY-627008
csChFnd80/06171916322D

 34 38  0  0  0  0  0  0  0  0999 V2000
   -1.1583    1.9625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4125   -4.2250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458    1.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0792   -4.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8250   -5.4917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -5.4917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8708    2.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9875    0.7250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7417   -4.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7000    0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458    2.6750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5708    1.2458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667    1.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458    0.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5875    1.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4125   -3.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667    0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9875    1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3000    2.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8708    3.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7000   -0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4125    0.7250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3000    3.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5875    3.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7000   -2.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1292   -2.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4125   -0.9250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4125   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7000   -2.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1292   -2.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0208    1.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0208    3.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7333    2.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7333    3.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 16  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  2  0  0  0  0
  6  9  2  0  0  0  0
  7  1  1  0  0  0  0
  8 17  1  0  0  0  0
  9  2  1  0  0  0  0
 10  8  1  0  0  0  0
 11  1  2  0  0  0  0
 12  1  2  0  0  0  0
 13  3  1  0  0  0  0
 14  3  1  0  0  0  0
 15  7  2  0  0  0  0
 16 26  2  0  0  0  0
 17 14  1  0  0  0  0
 18 13  1  0  0  0  0
 19 15  1  0  0  0  0
 20  7  1  0  0  0  0
 21 10  1  0  0  0  0
 22 10  2  0  0  0  0
 23 24  1  0  0  0  0
 24 20  2  0  0  0  0
 25 29  2  0  0  0  0
 26 30  1  0  0  0  0
 27 21  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 28  2  0  0  0  0
 31 19  1  0  0  0  0
 32 23  1  0  0  0  0
 33 31  2  0  0  0  0
 34 32  2  0  0  0  0
 18  8  1  0  0  0  0
 23 19  2  0  0  0  0
 33 34  1  0  0  0  0
 16 25  1  0  0  0  0
  5  6  1  0  0  0  0
M  END
>  <Mol_ID> (2,230)
2230

>  <Formula> (2,230)
C23H22N6O4S

>  <MolWeight> (2,230)
478.52358

>  <COMPOUND_NAME> (2,230)
WAY-627008

>  <BAR_CODE_NO> (2,230)
90461224

$$$$
WAY-627009
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
    1.8792   -3.0417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6667   -3.2917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6667   -4.1167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8792   -4.3750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3917   -3.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2625    3.3458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833    2.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2625    2.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8625    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0458    2.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6250   -2.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0458    3.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167   -0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4125    0.7083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1792   -1.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167   -2.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9167   -0.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5625   -1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542    0.2708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000    1.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083    1.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7625    1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7625    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4750    2.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4750    3.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8 21  1  0  0  0  0
  9 13  1  0  0  0  0
 10  8  1  0  0  0  0
 11  1  1  0  0  0  0
 12 10  2  0  0  0  0
 13 18  1  0  0  0  0
 14  9  2  0  0  0  0
 15 11  2  0  0  0  0
 16 11  1  0  0  0  0
 17 15  1  0  0  0  0
 18 16  2  0  0  0  0
 19  9  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 10  1  0  0  0  0
 23 12  1  0  0  0  0
 24 22  2  0  0  0  0
 25 24  1  0  0  0  0
  3  4  1  0  0  0  0
 13 17  2  0  0  0  0
 12  6  1  0  0  0  0
 25 23  2  0  0  0  0
M  END
>  <Mol_ID> (2,231)
2231

>  <Formula> (2,231)
C18H16N6O

>  <MolWeight> (2,231)
332.35924

>  <COMPOUND_NAME> (2,231)
WAY-627009

>  <BAR_CODE_NO> (2,231)
90461225

$$$$
WAY-627013
csChFnd80/06171916322D

 32 35  0  0  0  0  0  0  0  0999 V2000
    0.7875   -0.8625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3417   -1.4792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5708   -0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1000    3.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583    2.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5875    3.9958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -1.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917    0.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0875   -2.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792    3.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917    1.9333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1750   -1.4167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4042   -0.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1000    4.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792    4.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583    1.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1625    2.3708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792   -2.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708    0.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0958   -1.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6083   -1.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3375   -1.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6375   -2.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583    5.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0250   -3.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4708   -0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -2.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6083   -2.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3792   -3.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5750   -3.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  6  1  0  0  0  0
  6 12  1  0  0  0  0
  7  5  1  0  0  0  0
  8  4  1  0  0  0  0
  9  2  1  0  0  0  0
 10  3  1  0  0  0  0
 11  5  2  0  0  0  0
 12 18  1  0  0  0  0
 13  1  2  0  0  0  0
 14  1  2  0  0  0  0
 15  7  1  0  0  0  0
 16 11  1  0  0  0  0
 17  4  1  0  0  0  0
 18  9  2  0  0  0  0
 19  6  2  0  0  0  0
 20 10  2  0  0  0  0
 21 18  1  0  0  0  0
 22 20  1  0  0  0  0
 23  8  1  0  0  0  0
 24  8  1  0  0  0  0
 25 10  1  0  0  0  0
 26 15  1  0  0  0  0
 27 20  1  0  0  0  0
 28 22  1  0  0  0  0
 29 24  1  0  0  0  0
 30 23  1  0  0  0  0
 31 25  2  0  0  0  0
 32 31  1  0  0  0  0
 21 17  2  0  0  0  0
 32 27  2  0  0  0  0
 29 30  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <Mol_ID> (2,232)
2232

>  <Formula> (2,232)
C23H25N3O5S

>  <MolWeight> (2,232)
455.5267

>  <COMPOUND_NAME> (2,232)
WAY-627013

>  <BAR_CODE_NO> (2,232)
90461229

$$$$
WAY-627018
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    0.7792    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958    0.5958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958    1.4208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2917    0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167    0.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1583    0.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5833   -0.8667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5833   -0.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9125    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2917    1.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3625   -1.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8500   -0.4542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3625    0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8417    0.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042   -0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167    1.7208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0708   -0.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2542   -0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167   -1.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8417   -1.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2542    1.0083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6208   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042   -1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3 11  2  0  0  0  0
  4  1  1  0  0  0  0
  5  1  2  0  0  0  0
  6  4  1  0  0  0  0
  7  2  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  7  1  0  0  0  0
 11  1  1  0  0  0  0
 12  8  2  0  0  0  0
 13 14  1  0  0  0  0
 14  9  2  0  0  0  0
 15  6  2  0  0  0  0
 16  6  1  0  0  0  0
 17  4  2  0  0  0  0
 18  7  2  0  0  0  0
 19 15  1  0  0  0  0
 20 16  2  0  0  0  0
 21 20  1  0  0  0  0
 22 15  1  0  0  0  0
 23 12  1  0  0  0  0
 24 20  1  0  0  0  0
  3  2  1  0  0  0  0
 21 19  2  0  0  0  0
 13 12  1  0  0  0  0
M  END
>  <Mol_ID> (2,233)
2233

>  <Formula> (2,233)
C17H15N3O3S

>  <MolWeight> (2,233)
341.3843

>  <COMPOUND_NAME> (2,233)
WAY-627018

>  <BAR_CODE_NO> (2,233)
90461234

$$$$
WAY-627036
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -1.6583   -1.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1375   -0.4875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1375   -1.8167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167    0.2750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6417    0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9208   -0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9208   -1.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042   -0.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8333   -1.1542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.2917    1.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0542    0.9875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9625    2.4583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0542   -0.4417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1167    1.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5750    3.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2875    2.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167   -1.1542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208   -0.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8792    0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6375   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6375   -1.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3500   -1.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3500   -0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  8  1  0  0  0  0
  5  4  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8 18  1  0  0  0  0
  9  1  1  0  0  0  0
 10 19  1  0  0  0  0
 11  5  1  0  0  0  0
 12 10  1  0  0  0  0
 13  5  2  0  0  0  0
 14 10  2  0  0  0  0
 15 12  1  0  0  0  0
 16 14  1  0  0  0  0
 17  8  2  0  0  0  0
 18  9  1  0  0  0  0
 19 11  1  0  0  0  0
 20  6  1  0  0  0  0
 21  7  1  0  0  0  0
 22 21  2  0  0  0  0
 23 20  2  0  0  0  0
  7  6  2  0  0  0  0
 22 23  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <Mol_ID> (2,234)
2234

>  <Formula> (2,234)
C15H13N3O4S

>  <MolWeight> (2,234)
331.34642

>  <COMPOUND_NAME> (2,234)
WAY-627036

>  <BAR_CODE_NO> (2,234)
90461253

$$$$
WAY-627048
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
    1.6292   -1.1375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5417   -0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167    1.3333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167    2.1583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6000    0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3000    0.0208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8500   -0.5917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4375   -1.3042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6000    2.5708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3125    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292    0.0958    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0167   -1.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292    0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3125    2.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6000    0.0958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292   -1.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0333    0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3833   -1.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1875   -2.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5750   -3.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0333    2.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083   -2.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708   -1.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7458    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7458    2.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3 13  1  0  0  0  0
  4  3  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  2  0  0  0  0
  7  8  2  0  0  0  0
  8  1  1  0  0  0  0
  9  4  2  0  0  0  0
 10  5  1  0  0  0  0
 11  2  1  0  0  0  0
 12  1  1  0  0  0  0
 13 11  1  0  0  0  0
 14 10  2  0  0  0  0
 15  5  2  0  0  0  0
 16 12  1  0  0  0  0
 17 10  1  0  0  0  0
 18 16  2  0  0  0  0
 19 12  2  0  0  0  0
 20 19  1  0  0  0  0
 21 14  1  0  0  0  0
 22 20  2  0  0  0  0
 23 18  1  0  0  0  0
 24 17  2  0  0  0  0
 25 24  1  0  0  0  0
  6  7  1  0  0  0  0
 22 18  1  0  0  0  0
 14  9  1  0  0  0  0
 25 21  2  0  0  0  0
M  END
>  <Mol_ID> (2,235)
2235

>  <Formula> (2,235)
C16H13N7OS

>  <MolWeight> (2,235)
351.38572

>  <COMPOUND_NAME> (2,235)
WAY-627048

>  <BAR_CODE_NO> (2,235)
90461265

$$$$
WAY-627050
csChFnd80/06171916322D

 23 26  0  0  0  0  0  0  0  0999 V2000
   -0.0583    2.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5375    1.9583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7292    2.3708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958   -1.9667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0125   -2.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583    1.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667   -1.5542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7292    1.5458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958   -1.1417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0125   -0.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083    3.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958    3.6708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083    0.5083    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1750    4.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417   -3.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958    4.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083    4.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417   -0.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083   -3.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0500   -3.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042   -3.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583   -4.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542   -4.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  9  1  0  0  0  0
  5  7  1  0  0  0  0
  6  2  1  0  0  0  0
  7 10  1  0  0  0  0
  8  3  1  0  0  0  0
  9 10  2  0  0  0  0
 10 18  1  0  0  0  0
 11  1  1  0  0  0  0
 12 11  1  0  0  0  0
 13  6  1  0  0  0  0
 14 11  2  0  0  0  0
 15  5  1  0  0  0  0
 16 12  1  0  0  0  0
 17 14  1  0  0  0  0
 18 13  1  0  0  0  0
 19 15  1  0  0  0  0
 20 15  2  0  0  0  0
 21 20  1  0  0  0  0
 22 19  2  0  0  0  0
 23 21  2  0  0  0  0
  8  6  2  0  0  0  0
 16 17  2  0  0  0  0
  5  4  2  0  0  0  0
 23 22  1  0  0  0  0
M  END
>  <Mol_ID> (2,236)
2236

>  <Formula> (2,236)
C15H10N4O2S2

>  <MolWeight> (2,236)
342.3955

>  <COMPOUND_NAME> (2,236)
WAY-627050

>  <BAR_CODE_NO> (2,236)
90461267

$$$$
WAY-627077
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    1.6000   -2.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667   -2.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000   -1.3375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667    1.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0542   -2.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292   -2.6500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.8375   -2.1375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458    1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8875   -0.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2583    1.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042   -3.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1875   -3.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667    0.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9708    1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8875    1.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458    2.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667   -1.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9708    2.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2583    2.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8875   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6875    1.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6875    2.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4000    1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4000    2.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4 13  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  5  3  0  0  0  0
  8  4  1  0  0  0  0
  9  3  1  0  0  0  0
 10  8  2  0  0  0  0
 11  2  1  0  0  0  0
 12  6  1  0  0  0  0
 13 20  1  0  0  0  0
 14 10  1  0  0  0  0
 15  4  2  0  0  0  0
 16  8  1  0  0  0  0
 17  9  2  0  0  0  0
 18 19  1  0  0  0  0
 19 16  2  0  0  0  0
 20  9  1  0  0  0  0
 21 14  1  0  0  0  0
 22 18  1  0  0  0  0
 23 21  2  0  0  0  0
 24 22  2  0  0  0  0
 11 12  2  0  0  0  0
 18 14  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (2,237)
2237

>  <Formula> (2,237)
C18H12N2O3S

>  <MolWeight> (2,237)
336.36448

>  <COMPOUND_NAME> (2,237)
WAY-627077

>  <BAR_CODE_NO> (2,237)
90461294

$$$$
WAY-627083
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
    2.5167   -1.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0042   -1.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7875   -1.4375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0042   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7875   -0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5083    1.7833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0208    1.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5083    0.4500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2875    1.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6917   -1.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2875    0.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417    0.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792   -0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542   -0.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792   -1.7417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542    1.1208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1958    1.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833    0.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4542   -1.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7500   -2.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4542   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0083    1.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0083    0.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7208    0.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7208    1.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  7  2  0  0  0  0
  7 17  1  0  0  0  0
  8  7  1  0  0  0  0
  9  6  1  0  0  0  0
 10  1  1  0  0  0  0
 11  8  1  0  0  0  0
 12 14  1  0  0  0  0
 13 10  1  0  0  0  0
 14 13  1  0  0  0  0
 15 10  2  0  0  0  0
 16 12  2  0  0  0  0
 17 18  1  0  0  0  0
 18 12  1  0  0  0  0
 19  3  1  0  0  0  0
 20  2  1  0  0  0  0
 21  5  1  0  0  0  0
 22  9  1  0  0  0  0
 23 11  1  0  0  0  0
 24 23  2  0  0  0  0
 25 22  2  0  0  0  0
  3  5  1  0  0  0  0
 11  9  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (2,238)
2238

>  <Formula> (2,238)
C19H20N2O3S

>  <MolWeight> (2,238)
356.4387

>  <COMPOUND_NAME> (2,238)
WAY-627083

>  <BAR_CODE_NO> (2,238)
90461300

$$$$
WAY-627090
csChFnd80/06171916322D

 22 23  0  0  0  0  0  0  0  0999 V2000
   -1.5750   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9292    0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3583    0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8458   -0.5917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8500    1.4250    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.5750   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3583   -1.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6875    0.2708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083    0.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5167    1.9083    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.0917    1.7625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5125    0.4583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1583   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958    1.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7750   -0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3542   -0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6708   -0.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6208    0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1042   -1.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6208   -2.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5292   -0.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 10  2  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  2  0  0  0  0
  8  2  1  0  0  0  0
  9  1  1  0  0  0  0
 10 13  1  0  0  0  0
 11  5  1  0  0  0  0
 12  5  2  0  0  0  0
 13 14  1  0  0  0  0
 14  9  1  0  0  0  0
 15  9  2  0  0  0  0
 16 20  1  0  0  0  0
 17 10  1  0  0  0  0
 18  4  1  0  0  0  0
 19  3  1  0  0  0  0
 20 17  2  0  0  0  0
 21  7  1  0  0  0  0
 22 16  1  0  0  0  0
  4  7  1  0  0  0  0
 16  8  2  0  0  0  0
M  END
>  <Mol_ID> (2,239)
2239

>  <Formula> (2,239)
C15H17N3O4

>  <MolWeight> (2,239)
303.31318

>  <COMPOUND_NAME> (2,239)
WAY-627090

>  <BAR_CODE_NO> (2,239)
90461307

$$$$
WAY-627168
csChFnd80/06171916322D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -0.4458    0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1875   -0.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708   -1.2417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458    1.5458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2333    0.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917   -0.8292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667    0.8833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2333    1.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792    1.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1875   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917   -1.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667    2.3083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1042    1.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9458    0.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9458    1.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583   -2.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042   -2.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5167    2.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5167    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6583    0.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6583    1.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0375   -3.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542   -3.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  2  1  0  0  0  0
  9  6  2  0  0  0  0
 10  8  1  0  0  0  0
 11  4  1  0  0  0  0
 12  7  1  0  0  0  0
 13 10  2  0  0  0  0
 14 10  1  0  0  0  0
 15  6  1  0  0  0  0
 16  9  1  0  0  0  0
 17 11  1  0  0  0  0
 18 12  1  0  0  0  0
 19 14  1  0  0  0  0
 20 14  1  0  0  0  0
 21 15  1  0  0  0  0
 22 21  1  0  0  0  0
 23 18  2  0  0  0  0
 24 17  2  0  0  0  0
  9  5  1  0  0  0  0
 12 11  2  0  0  0  0
 22 16  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (2,240)
2240

>  <Formula> (2,240)
C19H21N3OS

>  <MolWeight> (2,240)
339.45454

>  <COMPOUND_NAME> (2,240)
WAY-627168

>  <BAR_CODE_NO> (2,240)
90461385

$$$$
WAY-627176
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -1.2000   -0.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208   -0.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6333   -0.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6333    0.7833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208    1.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000    0.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292   -0.0417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208   -1.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542   -0.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542    0.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4875   -0.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3458   -0.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6333   -1.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3667   -0.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0875   -0.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0875    0.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3667    1.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3458   -1.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9417   -0.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208    2.0208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9417    1.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292    0.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6333   -2.5167    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    1.1958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -0.4542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0583   -1.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -1.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  7 11  1  0  0  0  0
  8  2  1  0  0  0  0
  9 19  1  0  0  0  0
 10 21  1  0  0  0  0
 11  1  1  0  0  0  0
 12  3  1  0  0  0  0
 13  8  2  0  0  0  0
 14  9  2  0  0  0  0
 15 14  1  0  0  0  0
 16 17  1  0  0  0  0
 17 10  2  0  0  0  0
 18 13  1  0  0  0  0
 19  7  1  0  0  0  0
 20  5  2  0  0  0  0
 21 22  1  0  0  0  0
 22  7  1  0  0  0  0
 23 13  1  0  0  0  0
 24 16  1  0  0  0  0
 25 15  1  0  0  0  0
 26 18  1  0  0  0  0
 27 24  1  0  0  0  0
 28 25  1  0  0  0  0
  4  3  1  0  0  0  0
 18 12  2  0  0  0  0
 10  9  1  0  0  0  0
 16 15  2  0  0  0  0
M  END
>  <Mol_ID> (2,241)
2241

>  <Formula> (2,241)
C22H22ClNO4

>  <MolWeight> (2,241)
399.86738

>  <COMPOUND_NAME> (2,241)
WAY-627176

>  <BAR_CODE_NO> (2,241)
90461393

$$$$
WAY-627497
csChFnd80/06171916322D

 23 26  0  0  0  0  0  0  0  0999 V2000
   -1.4875   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3542    0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8667    1.2750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8667   -0.0542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5750   -1.0375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7708    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2458    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0792    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0792    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583   -0.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3833   -1.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7958   -0.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7708    1.0208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1792    0.6083    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667    1.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7958   -1.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6208   -0.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5917    1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0333   -1.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6208   -1.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  9  1  0  0  0  0
  4  8  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  1  2  0  0  0  0
  8 13  1  0  0  0  0
  9 17  1  0  0  0  0
 10  6  1  0  0  0  0
 11  5  1  0  0  0  0
 12  7  1  0  0  0  0
 13 14  2  0  0  0  0
 14 10  1  0  0  0  0
 15  6  2  0  0  0  0
 16  2  1  0  0  0  0
 17 18  2  0  0  0  0
 18 14  1  0  0  0  0
 19 11  1  0  0  0  0
 20 12  1  0  0  0  0
 21 16  1  0  0  0  0
 22 20  2  0  0  0  0
 23 19  2  0  0  0  0
 11 12  2  0  0  0  0
 23 22  1  0  0  0  0
  9  8  2  0  0  0  0
  3  2  2  0  0  0  0
M  END
>  <Mol_ID> (2,242)
2242

>  <Formula> (2,242)
C17H12N2O2S2

>  <MolWeight> (2,242)
340.41938

>  <COMPOUND_NAME> (2,242)
WAY-627497

>  <BAR_CODE_NO> (2,242)
90461722

$$$$
WAY-627507
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
    1.3292   -3.1750    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.7792   -2.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0375   -1.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1083    1.6333    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.1417    2.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208    1.4583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7417   -0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792   -1.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1875    0.2333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3375    3.0833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0250   -2.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792   -3.9625    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.1417   -3.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292    2.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1417    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5417   -0.2042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208   -1.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292    3.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5750   -2.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5333    1.1208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833   -3.5167    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708    0.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4708    2.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2750    1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9833    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4 10  1  0  0  0  0
  5  4  1  0  0  0  0
  6  4  1  0  0  0  0
  7  8  1  0  0  0  0
  8  3  2  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11  5  1  0  0  0  0
 12  2  2  0  0  0  0
 13  1  1  0  0  0  0
 14  1  2  0  0  0  0
 15  5  2  0  0  0  0
 16 11  1  0  0  0  0
 17  7  2  0  0  0  0
 18 20  2  0  0  0  0
 19 15  1  0  0  0  0
 20 12  1  0  0  0  0
 21 25  1  0  0  0  0
 22 12  1  0  0  0  0
 23  6  1  0  0  0  0
 24  6  1  0  0  0  0
 25 24  1  0  0  0  0
 26 23  1  0  0  0  0
 18  8  1  0  0  0  0
 21 26  1  0  0  0  0
 16 19  2  0  0  0  0
M  END
>  <Mol_ID> (2,243)
2243

>  <Formula> (2,243)
C17H18ClN3O4S

>  <MolWeight> (2,243)
395.86052

>  <COMPOUND_NAME> (2,243)
WAY-627507

>  <BAR_CODE_NO> (2,243)
90461732

$$$$
WAY-627547
csChFnd80/06171916322D

 22 25  0  0  0  0  0  0  0  0999 V2000
   -0.5000    0.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5875    0.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2583   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8083    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958    1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4292   -1.3875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6417   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6417   -1.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292    0.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292    1.4833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4250   -1.0375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4292   -0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167   -1.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9125   -0.7167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.0875   -0.6042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292   -1.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6333    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8083    1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7375   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6333    1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0458    1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 17  1  0  0  0  0
 10  6  2  0  0  0  0
 11  2  2  0  0  0  0
 12  3  2  0  0  0  0
 13  8  1  0  0  0  0
 14  6  1  0  0  0  0
 15 13  1  0  0  0  0
 16  1  1  0  0  0  0
 17 14  2  0  0  0  0
 18  4  1  0  0  0  0
 19  5  1  0  0  0  0
 20 15  1  0  0  0  0
 21 19  2  0  0  0  0
 22 18  2  0  0  0  0
  4  5  2  0  0  0  0
  9  8  2  0  0  0  0
 22 21  1  0  0  0  0
  7 15  1  0  0  0  0
M  END
>  <Mol_ID> (2,244)
2244

>  <Formula> (2,244)
C18H15NO3

>  <MolWeight> (2,244)
293.3166

>  <COMPOUND_NAME> (2,244)
WAY-627547

>  <BAR_CODE_NO> (2,244)
90461777

$$$$
WAY-627562
csChFnd80/06171916322D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -1.6000   -1.7417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000   -2.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8875   -1.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1708   -1.7417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1708   -2.5667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8875   -2.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8875   -0.5042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1708    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3208   -2.9792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3208   -1.3292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417    1.1458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8875    1.1458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1708   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417    1.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8875   -3.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542    2.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9667    1.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542    3.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9667    3.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6875    2.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6875    3.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8 13  1  0  0  0  0
  9  2  2  0  0  0  0
 10  1  1  0  0  0  0
 11  8  1  0  0  0  0
 12  8  2  0  0  0  0
 13  7  1  0  0  0  0
 14 11  1  0  0  0  0
 15  6  1  0  0  0  0
 16 14  1  0  0  0  0
 17 16  1  0  0  0  0
 18 16  1  0  0  0  0
 19 18  1  0  0  0  0
 20 17  1  0  0  0  0
 21 19  1  0  0  0  0
  5  6  2  0  0  0  0
 21 20  1  0  0  0  0
M  END
>  <Mol_ID> (2,245)
2245

>  <Formula> (2,245)
C13H21N5O2S

>  <MolWeight> (2,245)
311.40314

>  <COMPOUND_NAME> (2,245)
WAY-627562

>  <BAR_CODE_NO> (2,245)
90461793

$$$$
WAY-627570
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    0.5792    1.9458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0625    2.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792    3.2833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083    2.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292   -0.2292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208   -0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083    3.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792    0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292    1.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8875    2.6208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375   -1.6292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -0.6750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5250    0.7208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3125   -2.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583   -3.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208    1.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208    3.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6125   -3.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7417   -3.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6375    2.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6375    3.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042   -3.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583   -4.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4500   -4.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  8  1  0  0  0  0
  6  5  1  0  0  0  0
  7  4  2  0  0  0  0
  8  9  1  0  0  0  0
  9  1  1  0  0  0  0
 10  2  2  0  0  0  0
 11  6  1  0  0  0  0
 12  6  2  0  0  0  0
 13  8  2  0  0  0  0
 14 11  1  0  0  0  0
 15 14  1  0  0  0  0
 16  4  1  0  0  0  0
 17  7  1  0  0  0  0
 18 15  1  0  0  0  0
 19 15  2  0  0  0  0
 20 16  2  0  0  0  0
 21 20  1  0  0  0  0
 22 19  1  0  0  0  0
 23 18  2  0  0  0  0
 24 22  2  0  0  0  0
  7  3  1  0  0  0  0
 21 17  2  0  0  0  0
 24 23  1  0  0  0  0
M  END
>  <Mol_ID> (2,246)
2246

>  <Formula> (2,246)
C17H15N3O4

>  <MolWeight> (2,246)
325.3187

>  <COMPOUND_NAME> (2,246)
WAY-627570

>  <BAR_CODE_NO> (2,246)
90461801

$$$$
WAY-627583
csChFnd80/06171916322D

 33 37  0  0  0  0  0  0  0  0999 V2000
    0.6250    1.1625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5208   -2.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2333   -1.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0875    0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5208   -1.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3417    1.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2333   -2.9625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9458   -2.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9458   -1.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8083   -2.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3417    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0542    2.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5208   -0.0750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2333   -0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2125    1.8833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0375    0.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8083   -1.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8083    1.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0875   -0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7667    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0875   -2.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0542    3.6458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0542    1.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6625   -2.9625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4792    2.8125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0875   -1.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7667    1.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5208    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8083   -0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8083   -3.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7667    4.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4792    3.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6250   -2.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  2  0  0  0  0
  3 14  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  3  2  0  0  0  0
 10  2  1  0  0  0  0
 11  6  2  0  0  0  0
 12 11  1  0  0  0  0
 13 29  1  0  0  0  0
 14 13  1  0  0  0  0
 15  1  2  0  0  0  0
 16  1  2  0  0  0  0
 17  5  1  0  0  0  0
 18  4  1  0  0  0  0
 19  4  1  0  0  0  0
 20 27  1  0  0  0  0
 21 26  1  0  0  0  0
 22 12  1  0  0  0  0
 23  6  1  0  0  0  0
 24  8  2  0  0  0  0
 25 20  1  0  0  0  0
 26 17  2  0  0  0  0
 27 23  2  0  0  0  0
 28 18  1  0  0  0  0
 29 19  1  0  0  0  0
 30 10  1  0  0  0  0
 31 22  1  0  0  0  0
 32 25  1  0  0  0  0
 33 21  1  0  0  0  0
 13 28  1  0  0  0  0
 20 12  2  0  0  0  0
 31 32  1  0  0  0  0
  2  7  1  0  0  0  0
 21 10  2  0  0  0  0
M  END
>  <Mol_ID> (2,247)
2247

>  <Formula> (2,247)
C24H26N2O6S

>  <MolWeight> (2,247)
470.53804

>  <COMPOUND_NAME> (2,247)
WAY-627583

>  <BAR_CODE_NO> (2,247)
90461815

$$$$
WAY-627615
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
    2.6375    0.7708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6375   -0.5625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.1250    0.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8542   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8542    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4333   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1375   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1875   -0.6417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958   -0.7167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4250   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7375   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5208    0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083    0.5208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3250    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1375    0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4250    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9500    0.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  2  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6 11  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  4  1  0  0  0  0
 10  8  1  0  0  0  0
 11 12  1  0  0  0  0
 12 18  1  0  0  0  0
 13 10  1  0  0  0  0
 14  8  2  0  0  0  0
 15  6  2  0  0  0  0
 16 14  1  0  0  0  0
 17  5  1  0  0  0  0
 18 17  2  0  0  0  0
 19  3  1  0  0  0  0
  2  4  1  0  0  0  0
 12  9  2  0  0  0  0
 13 16  2  0  0  0  0
M  END
>  <Mol_ID> (2,248)
2248

>  <Formula> (2,248)
C14H12N2OS2

>  <MolWeight> (2,248)
288.38788

>  <COMPOUND_NAME> (2,248)
WAY-627615

>  <BAR_CODE_NO> (2,248)
90461848

$$$$
WAY-627620
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -1.5708    1.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583    2.5250    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -2.2833    1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583    1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2875   -1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042   -2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042   -0.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7167   -1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2875   -2.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7167   -2.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5750   -0.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5708    0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1375    1.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1375    2.9375    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.5750   -2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5708    2.9375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1375   -1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583    0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4292   -0.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583   -0.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9958    2.1125    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6958    0.9833    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8708    2.4125    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1375   -2.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1375    0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5 11  1  0  0  0  0
  6  9  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
  9 15  1  0  0  0  0
 10  6  2  0  0  0  0
 11 17  2  0  0  0  0
 12  1  1  0  0  0  0
 13  4  1  0  0  0  0
 14  2  1  0  0  0  0
 15 24  2  0  0  0  0
 16  2  2  0  0  0  0
 17 20  1  0  0  0  0
 18 12  2  0  0  0  0
 19  8  2  0  0  0  0
 20 18  1  0  0  0  0
 21  3  1  0  0  0  0
 22  3  1  0  0  0  0
 23  3  1  0  0  0  0
 24 17  1  0  0  0  0
 25 18  1  0  0  0  0
 26  6  1  0  0  0  0
 13 25  2  0  0  0  0
  9  5  2  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Mol_ID> (2,249)
2249

>  <Formula> (2,249)
C17H10F3NO5

>  <MolWeight> (2,249)
365.2602096

>  <COMPOUND_NAME> (2,249)
WAY-627620

>  <BAR_CODE_NO> (2,249)
90461853

$$$$
WAY-627635
csChFnd80/06171916322D

 28 30  0  0  0  0  0  0  0  0999 V2000
   -2.6083   -0.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8958   -0.4417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6083    0.7958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8958    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3208   -0.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3917    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6792    0.7958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3208    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1125    0.7958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6083   -1.6792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3917   -0.4417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1750    0.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4625    0.3833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667   -0.4417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542    0.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0333   -0.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8250    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0333    0.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4625   -0.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8250   -0.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5417    0.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7500   -0.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1750   -0.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7500    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2542    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5417   -0.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2542   -0.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  8  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  9  1  0  0  0  0
  8  5  2  0  0  0  0
  9 16  1  0  0  0  0
 10  6  1  0  0  0  0
 11  1  2  0  0  0  0
 12  6  2  0  0  0  0
 13  4  1  0  0  0  0
 14 13  1  0  0  0  0
 15  9  2  0  0  0  0
 16 14  1  0  0  0  0
 17  5  1  0  0  0  0
 18 10  1  0  0  0  0
 19  8  1  0  0  0  0
 20 14  1  0  0  0  0
 21 18  1  0  0  0  0
 22 18  1  0  0  0  0
 23 17  2  0  0  0  0
 24 20  1  0  0  0  0
 25 23  1  0  0  0  0
 26 22  1  0  0  0  0
 27 21  1  0  0  0  0
 28 26  1  0  0  0  0
  3  4  2  0  0  0  0
 25 19  2  0  0  0  0
 28 27  1  0  0  0  0
M  END
>  <Mol_ID> (2,250)
2250

>  <Formula> (2,250)
C20H27N5O3

>  <MolWeight> (2,250)
385.46008

>  <COMPOUND_NAME> (2,250)
WAY-627635

>  <BAR_CODE_NO> (2,250)
90461868

$$$$
WAY-627637
csChFnd80/06171916322D

 31 35  0  0  0  0  0  0  0  0999 V2000
    0.8167    2.1583    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000   -1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000   -2.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167   -1.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6833   -1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6833   -2.6292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708   -1.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167    1.3333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167   -2.7917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5292   -1.5542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167   -0.3167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5292   -2.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083    2.1583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6417    2.1583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000    0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5292    0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167    2.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5292    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9958   -1.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2417   -2.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000    3.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5292    3.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4083   -1.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4083   -2.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5292    4.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2333   -1.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2333   -2.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000    4.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167    4.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6458   -1.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  2  2  0  0  0  0
  4 11  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  5  2  0  0  0  0
  8  1  1  0  0  0  0
  9 12  2  0  0  0  0
 10  4  2  0  0  0  0
 11 18  1  0  0  0  0
 12 10  1  0  0  0  0
 13  1  2  0  0  0  0
 14  1  2  0  0  0  0
 15  8  1  0  0  0  0
 16  8  1  0  0  0  0
 17  1  1  0  0  0  0
 18 16  1  0  0  0  0
 19 15  1  0  0  0  0
 20  7  1  0  0  0  0
 21 12  1  0  0  0  0
 22 17  2  0  0  0  0
 23 17  1  0  0  0  0
 24 20  1  0  0  0  0
 25 20  2  0  0  0  0
 26 23  2  0  0  0  0
 27 24  2  0  0  0  0
 28 25  1  0  0  0  0
 29 22  1  0  0  0  0
 30 26  1  0  0  0  0
 31 28  2  0  0  0  0
 11 19  1  0  0  0  0
 30 29  2  0  0  0  0
  9  3  1  0  0  0  0
  6  7  1  0  0  0  0
 31 27  1  0  0  0  0
M  END
>  <Mol_ID> (2,251)
2251

>  <Formula> (2,251)
C23H22N4O2S2

>  <MolWeight> (2,251)
450.57638

>  <COMPOUND_NAME> (2,251)
WAY-627637

>  <BAR_CODE_NO> (2,251)
90461870

$$$$
WAY-627654
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -1.2125    1.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7333    2.3375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9958    1.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2125    3.0083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9583    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9125   -0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667   -1.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9958    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1500    0.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9667   -1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083    0.2708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4625    0.3708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2292   -1.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7125    1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6125   -1.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7125    3.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0292   -2.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6750   -2.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667   -2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4250    1.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4250    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9292   -3.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2917   -2.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7375   -3.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6 10  1  0  0  0  0
  7  6  1  0  0  0  0
  8  3  2  0  0  0  0
  9  5  1  0  0  0  0
 10  9  1  0  0  0  0
 11  7  1  0  0  0  0
 12  5  2  0  0  0  0
 13  6  2  0  0  0  0
 14 11  1  0  0  0  0
 15  3  1  0  0  0  0
 16  7  1  0  0  0  0
 17  8  1  0  0  0  0
 18 14  2  0  0  0  0
 19 14  1  0  0  0  0
 20 16  1  0  0  0  0
 21 15  2  0  0  0  0
 22 21  1  0  0  0  0
 23 19  2  0  0  0  0
 24 18  1  0  0  0  0
 25 23  1  0  0  0  0
  8  4  1  0  0  0  0
 22 17  2  0  0  0  0
 25 24  2  0  0  0  0
M  END
>  <Mol_ID> (2,252)
2252

>  <Formula> (2,252)
C19H19N3O3

>  <MolWeight> (2,252)
337.37246

>  <COMPOUND_NAME> (2,252)
WAY-627654

>  <BAR_CODE_NO> (2,252)
90461887

$$$$
WAY-627661
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
    1.0792    1.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0625   -1.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667    1.5583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0625   -3.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0625   -0.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833   -2.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833   -2.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3458   -2.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3458   -2.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792    2.7958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3458   -0.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7917    1.5583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833   -0.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792    0.3208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3458    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667   -3.3917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7917    3.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4875   -1.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4875   -3.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7917    4.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042    2.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2083   -2.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2083   -2.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2250    3.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042    4.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2250    4.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  1  1  0  0  0  0
  4  8  2  0  0  0  0
  5 12  1  0  0  0  0
  6  2  1  0  0  0  0
  7  6  2  0  0  0  0
  8 10  1  0  0  0  0
  9  3  1  0  0  0  0
 10  2  2  0  0  0  0
 11  1  1  0  0  0  0
 12 16  1  0  0  0  0
 13  1  2  0  0  0  0
 14  5  2  0  0  0  0
 15  9  2  0  0  0  0
 16  9  1  0  0  0  0
 17  8  1  0  0  0  0
 18 11  1  0  0  0  0
 19  6  1  0  0  0  0
 20  7  1  0  0  0  0
 21 18  1  0  0  0  0
 22 18  1  0  0  0  0
 23 19  2  0  0  0  0
 24 23  1  0  0  0  0
 25 22  1  0  0  0  0
 26 21  1  0  0  0  0
 27 25  1  0  0  0  0
 27 26  1  0  0  0  0
  4  7  1  0  0  0  0
 24 20  2  0  0  0  0
M  END
>  <Mol_ID> (2,253)
2253

>  <Formula> (2,253)
C19H21N3O5

>  <MolWeight> (2,253)
371.38714

>  <COMPOUND_NAME> (2,253)
WAY-627661

>  <BAR_CODE_NO> (2,253)
90461895

$$$$
WAY-627662
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    1.4375   -1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9167   -1.7417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9167   -0.4042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7042   -1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0375    0.3583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8625    0.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7042   -0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6250   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6125   -1.0667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5125    1.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2750    1.0708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3333    1.8708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4167   -1.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2750   -0.3542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1750    2.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5083    2.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7958    3.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0375   -1.0667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4167   -0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1000    1.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1375   -1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1375   -0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8500   -1.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  8  1  0  0  0  0
  6  5  1  0  0  0  0
  7  3  1  0  0  0  0
  8 20  1  0  0  0  0
  9  1  1  0  0  0  0
 10 21  1  0  0  0  0
 11  6  1  0  0  0  0
 12 10  1  0  0  0  0
 13  4  1  0  0  0  0
 14  6  2  0  0  0  0
 15 10  2  0  0  0  0
 16 12  1  0  0  0  0
 17 15  1  0  0  0  0
 18  8  2  0  0  0  0
 19  7  1  0  0  0  0
 20  9  1  0  0  0  0
 21 11  1  0  0  0  0
 22 13  2  0  0  0  0
 23 19  2  0  0  0  0
 24 22  1  0  0  0  0
  4  7  2  0  0  0  0
 23 22  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (2,254)
2254

>  <Formula> (2,254)
C16H16N4O3S

>  <MolWeight> (2,254)
344.38824

>  <COMPOUND_NAME> (2,254)
WAY-627662

>  <BAR_CODE_NO> (2,254)
90461896

$$$$
WAY-627666
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -3.0208   -0.3667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6917    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4458   -1.1917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9792    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7333    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0208   -1.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3083    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6917    2.1083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4125    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4458   -0.3667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.7333   -1.6042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.9792    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1625   -0.3667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958   -0.3667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.5542    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8750    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958   -1.1917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1250    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4125    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1625    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7333   -2.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8417    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1250   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8417    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3 11  1  0  0  0  0
  4 13  2  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  2  0  0  0  0
  9  2  1  0  0  0  0
 10  5  1  0  0  0  0
 11  6  1  0  0  0  0
 12 18  2  0  0  0  0
 13 19  1  0  0  0  0
 14 17  1  0  0  0  0
 15  7  1  0  0  0  0
 16 14  1  0  0  0  0
 17 15  1  0  0  0  0
 18 16  1  0  0  0  0
 19 16  2  0  0  0  0
 20 15  1  0  0  0  0
 21  9  2  0  0  0  0
 22  9  1  0  0  0  0
 23 10  1  0  0  0  0
 24 11  1  0  0  0  0
 25 21  1  0  0  0  0
 26 22  2  0  0  0  0
 27 26  1  0  0  0  0
  3 10  1  0  0  0  0
  4 12  1  0  0  0  0
 27 25  2  0  0  0  0
M  END
>  <Mol_ID> (2,255)
2255

>  <Formula> (2,255)
C22H27NO4

>  <MolWeight> (2,255)
369.45408

>  <COMPOUND_NAME> (2,255)
WAY-627666

>  <BAR_CODE_NO> (2,255)
90461900

$$$$
WAY-627689
csChFnd80/06171916322D

 28 32  0  0  0  0  0  0  0  0999 V2000
   -2.4807   -0.3769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9600   -0.9976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4565   -0.7148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5358   -0.7562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4807    0.4748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9600   -1.9907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4565   -1.5183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5358   -1.6183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4876    0.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0358   -2.3631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9496   -2.3872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5289   -1.9321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5186    0.4990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4876    1.8817    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4573    0.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2366    0.3921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7469    1.8645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0228    0.9645    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2366   -0.4424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7331    1.8645    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0780    2.4852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9918    0.5335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4193    2.5024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8262    1.0059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9918   -0.4252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6538    0.5335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8262   -0.9148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6538   -0.4252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 16 19  2  0  0  0  0
 17 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
 20 23  1  0  0  0  0
 22 24  2  0  0  0  0
 22 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  2  0  0  0  0
 26 28  2  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
 18 20  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (2,256)
2256

>  <Formula> (2,256)
C23H29N3O2

>  <MolWeight> (2,256)
379.49526

>  <COMPOUND_NAME> (2,256)
WAY-627689

>  <BAR_CODE_NO> (2,256)
90461923

$$$$
WAY-627721
csChFnd80/06171916322D

 31 35  0  0  0  0  0  0  0  0999 V2000
    2.4875   -0.8542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9667   -1.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4875   -2.1917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7042   -1.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7042   -1.9417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7917   -1.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8083    1.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5125   -1.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5125   -1.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292   -0.6292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.7417   -0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3875   -0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1458    0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458   -0.8167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000    0.3458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1458    2.0958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792   -0.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3875    0.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2333   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8083   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208    0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5625   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7250    1.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5625    0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2333    1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3958    2.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917    0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5500    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8042    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417    1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2500    1.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  2  1  0  0  0  0
  7 13  1  0  0  0  0
  8  6  1  0  0  0  0
  9  6  1  0  0  0  0
 10  4  1  0  0  0  0
 11  1  1  0  0  0  0
 12 17  1  0  0  0  0
 13 19  2  0  0  0  0
 14 12  1  0  0  0  0
 15 12  2  0  0  0  0
 16 25  1  0  0  0  0
 17 10  1  0  0  0  0
 18 21  2  0  0  0  0
 19 22  1  0  0  0  0
 20 14  1  0  0  0  0
 21 20  1  0  0  0  0
 22 20  2  0  0  0  0
 23  7  1  0  0  0  0
 24  7  1  0  0  0  0
 25 24  1  0  0  0  0
 26 23  1  0  0  0  0
 27 11  2  0  0  0  0
 28 11  1  0  0  0  0
 29 28  2  0  0  0  0
 30 27  1  0  0  0  0
 31 29  1  0  0  0  0
  3  5  1  0  0  0  0
  9  8  1  0  0  0  0
 31 30  2  0  0  0  0
 13 18  1  0  0  0  0
 16 26  1  0  0  0  0
M  END
>  <Mol_ID> (2,257)
2257

>  <Formula> (2,257)
C23H25N5O2S

>  <MolWeight> (2,257)
435.5419

>  <COMPOUND_NAME> (2,257)
WAY-627721

>  <BAR_CODE_NO> (2,257)
90461955

$$$$
WAY-627259
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
    2.2417   -0.0125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5292   -0.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9542    0.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3333   -0.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6208   -0.0125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000   -0.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8125   -0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0458   -0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4750   -0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6542   -0.7292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8292    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7583   -0.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4750    0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2583   -0.2667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2583    1.0708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7458    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3333   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5292   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0458    0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7583    1.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8125   -1.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6667   -0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9542    1.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6208   -1.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6667    1.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3875    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3875    1.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  2  2  0  0  0  0
  8  4  1  0  0  0  0
  9 12  1  0  0  0  0
 10  1  2  0  0  0  0
 11  1  2  0  0  0  0
 12  8  2  0  0  0  0
 13 21  1  0  0  0  0
 14  9  1  0  0  0  0
 15 13  1  0  0  0  0
 16 14  1  0  0  0  0
 17 22  1  0  0  0  0
 18  4  2  0  0  0  0
 19  2  1  0  0  0  0
 20  8  1  0  0  0  0
 21 20  2  0  0  0  0
 22 19  2  0  0  0  0
 23  3  1  0  0  0  0
 24  3  1  0  0  0  0
 25 17  1  0  0  0  0
 26 24  1  0  0  0  0
 27 23  1  0  0  0  0
 28 26  1  0  0  0  0
 28 27  1  0  0  0  0
 17  6  2  0  0  0  0
 13  9  2  0  0  0  0
 16 15  1  0  0  0  0
M  END
>  <Mol_ID> (2,258)
2258

>  <Formula> (2,258)
C20H22N2O5S

>  <MolWeight> (2,258)
402.46408

>  <COMPOUND_NAME> (2,258)
WAY-627259

>  <BAR_CODE_NO> (2,258)
90461477

$$$$
WAY-627267
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -1.1333    1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6500    2.4708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208    2.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1333    3.1333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833    1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2417   -0.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9875   -0.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208    2.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0750    0.8458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542   -2.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1792    0.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6917   -1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0500   -1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333    0.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5417    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542   -3.8667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9417   -2.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3042   -1.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8167   -3.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6333    1.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6333    3.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0667   -4.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3500    2.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3500    2.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7 12  1  0  0  0  0
  8 11  1  0  0  0  0
  9  3  2  0  0  0  0
 10  5  1  0  0  0  0
 11 19  1  0  0  0  0
 12 10  1  0  0  0  0
 13  6  1  0  0  0  0
 14  6  1  0  0  0  0
 15  5  2  0  0  0  0
 16  7  2  0  0  0  0
 17  8  2  0  0  0  0
 18 13  1  0  0  0  0
 19 14  1  0  0  0  0
 20  8  1  0  0  0  0
 21  3  1  0  0  0  0
 22  9  1  0  0  0  0
 23 20  1  0  0  0  0
 24 21  2  0  0  0  0
 25 24  1  0  0  0  0
  9  4  1  0  0  0  0
 25 22  2  0  0  0  0
 11 18  1  0  0  0  0
M  END
>  <Mol_ID> (2,259)
2259

>  <Formula> (2,259)
C17H19N3O5

>  <MolWeight> (2,259)
345.34986

>  <COMPOUND_NAME> (2,259)
WAY-627267

>  <BAR_CODE_NO> (2,259)
90461485

$$$$
WAY-627396
csChFnd80/06171916322D

 34 38  0  0  0  0  0  0  0  0999 V2000
    0.5667    0.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792    0.7708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792    1.5958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667    2.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1500    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1500    1.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1500   -1.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1500   -0.8792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5833   -1.7042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8625   -2.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667   -2.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0083   -0.8792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9917    2.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667    2.8333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8625   -2.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792   -0.8792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5833   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2958   -2.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667   -2.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0083   -1.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2958   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1500   -3.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792   -3.3542    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.8625    0.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8625    2.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7208   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7042    1.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9917    2.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5833    1.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5833    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7042    3.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4250    2.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4250    2.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  7  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  2  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
 10 11  1  0  0  0  0
 11  8  2  0  0  0  0
 12  8  1  0  0  0  0
 13 21  1  0  0  0  0
 14  3  1  0  0  0  0
 15  4  2  0  0  0  0
 16 11  1  0  0  0  0
 17  5  2  0  0  0  0
 18 10  1  0  0  0  0
 19 10  1  0  0  0  0
 20 12  2  0  0  0  0
 21 19  1  0  0  0  0
 22 18  1  0  0  0  0
 23 20  1  0  0  0  0
 24 20  1  0  0  0  0
 25  6  1  0  0  0  0
 26  7  1  0  0  0  0
 27 13  1  0  0  0  0
 28 14  1  0  0  0  0
 29 14  2  0  0  0  0
 30 31  1  0  0  0  0
 31 25  2  0  0  0  0
 32 29  1  0  0  0  0
 33 28  2  0  0  0  0
 34 32  2  0  0  0  0
  4  3  1  0  0  0  0
 30 26  2  0  0  0  0
 23 16  2  0  0  0  0
 34 33  1  0  0  0  0
 13 22  1  0  0  0  0
M  END
>  <Mol_ID> (2,260)
2260

>  <Formula> (2,260)
C26H24ClN5O2

>  <MolWeight> (2,260)
473.95406

>  <COMPOUND_NAME> (2,260)
WAY-627396

>  <BAR_CODE_NO> (2,260)
90461617

$$$$
WAY-627420
csChFnd80/06171916322D

 33 35  0  0  0  0  0  0  0  0999 V2000
   -0.5333   -2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0125   -3.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333   -3.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542   -2.6792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542   -3.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3625    1.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5292    2.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833   -1.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042    2.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7000    2.7250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958    1.1583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7167    2.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667    1.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833   -4.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667    0.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542    3.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333   -1.0250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4667    2.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958   -1.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667    0.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958   -4.7167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542    1.2333    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3292    1.8708    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.7000    2.8458    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3125    3.0708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4875   -0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458   -3.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9250   -3.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9583    3.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2500    2.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333   -5.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0583    2.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7625    3.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8  1  1  0  0  0  0
  9  6  2  0  0  0  0
 10  9  1  0  0  0  0
 11 15  1  0  0  0  0
 12 13  2  0  0  0  0
 13  6  1  0  0  0  0
 14  3  1  0  0  0  0
 15 26  1  0  0  0  0
 16  9  1  0  0  0  0
 17  8  1  0  0  0  0
 18 12  1  0  0  0  0
 19  8  2  0  0  0  0
 20 15  2  0  0  0  0
 21 14  2  0  0  0  0
 22  7  1  0  0  0  0
 23  7  1  0  0  0  0
 24  7  1  0  0  0  0
 25 32  1  0  0  0  0
 26 17  1  0  0  0  0
 27  2  1  0  0  0  0
 28  5  1  0  0  0  0
 29 10  1  0  0  0  0
 30 10  1  0  0  0  0
 31 14  1  0  0  0  0
 32 30  1  0  0  0  0
 33 29  1  0  0  0  0
  5  3  2  0  0  0  0
 18 16  2  0  0  0  0
 25 33  1  0  0  0  0
M  END
>  <Mol_ID> (2,261)
2261

>  <Formula> (2,261)
C22H24F3N3O5

>  <MolWeight> (2,261)
467.4382696

>  <COMPOUND_NAME> (2,261)
WAY-627420

>  <BAR_CODE_NO> (2,261)
90461644

$$$$
WAY-627423
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -1.3458    1.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1667   -1.6542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583    1.7458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1333    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458    2.4083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0875    0.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4542   -1.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1333    2.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9917   -1.5542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7917   -1.1125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7792   -0.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0375   -1.6167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833    0.1208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8417   -1.7917    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.0000   -2.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6458   -0.3250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292   -0.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1792   -2.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0250   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8458    0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8458    2.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5583    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5583    2.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7 14  1  0  0  0  0
  8  4  2  0  0  0  0
  9  2  2  0  0  0  0
 10  2  2  0  0  0  0
 11 19  1  0  0  0  0
 12 11  1  0  0  0  0
 13  6  1  0  0  0  0
 14 12  1  0  0  0  0
 15 18  1  0  0  0  0
 16  6  2  0  0  0  0
 17 11  2  0  0  0  0
 18 14  1  0  0  0  0
 19 13  1  0  0  0  0
 20  4  1  0  0  0  0
 21  8  1  0  0  0  0
 22 20  2  0  0  0  0
 23 22  1  0  0  0  0
  8  5  1  0  0  0  0
 23 21  2  0  0  0  0
  2 15  1  0  0  0  0
M  END
>  <Mol_ID> (2,262)
2262

>  <Formula> (2,262)
C14H15N3O5S

>  <MolWeight> (2,262)
337.351

>  <COMPOUND_NAME> (2,262)
WAY-627423

>  <BAR_CODE_NO> (2,262)
90461647

$$$$
WAY-627451
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
    3.1667    0.5958    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6083   -0.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9917    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3417    0.5958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0958   -1.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0958   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833   -0.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8833   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4750    1.2625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8833   -0.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1667    1.4208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1667   -0.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458   -0.1167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4750   -0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9292    1.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9292   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6917    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2542    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458    1.3083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708   -1.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2542    0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042    1.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5958   -1.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5958   -0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3083   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3083   -0.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  2  2  0  0  0  0
  7 19  1  0  0  0  0
  8 18  1  0  0  0  0
  9  5  1  0  0  0  0
 10  3  1  0  0  0  0
 11  6  1  0  0  0  0
 12  1  2  0  0  0  0
 13  1  2  0  0  0  0
 14  8  1  0  0  0  0
 15  3  2  0  0  0  0
 16  4  1  0  0  0  0
 17  4  1  0  0  0  0
 18 25  1  0  0  0  0
 19 14  1  0  0  0  0
 20 10  1  0  0  0  0
 21  8  2  0  0  0  0
 22  7  2  0  0  0  0
 23 15  1  0  0  0  0
 24 16  1  0  0  0  0
 25 17  1  0  0  0  0
 26  9  1  0  0  0  0
 27 11  1  0  0  0  0
 28 26  2  0  0  0  0
 29 27  2  0  0  0  0
 18 24  1  0  0  0  0
 20 23  2  0  0  0  0
  9 11  2  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (2,263)
2263

>  <Formula> (2,263)
C20H19NO6S2

>  <MolWeight> (2,263)
433.49796

>  <COMPOUND_NAME> (2,263)
WAY-627451

>  <BAR_CODE_NO> (2,263)
90461675

$$$$
WAY-627454
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -0.1958    1.6583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9833    1.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4625    1.2458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958    0.8333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9833    0.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3833   -2.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9375   -1.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4250   -2.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792   -1.2667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6375    0.9208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1875    0.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792   -1.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7417   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6833   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2333    2.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458   -1.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2333   -0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6375   -3.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9750   -2.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5417   -0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0375   -1.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0458    2.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6833    3.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0875   -3.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7167   -3.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1000   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8417   -1.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9375    4.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2958    3.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458    4.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  7  1  0  0  0  0
  7 14  1  0  0  0  0
  8  6  2  0  0  0  0
  9  8  1  0  0  0  0
 10 11  3  0  0  0  0
 11 13  1  0  0  0  0
 12  9  1  0  0  0  0
 13 12  2  0  0  0  0
 14 17  1  0  0  0  0
 15  2  1  0  0  0  0
 16  7  2  0  0  0  0
 17  5  1  0  0  0  0
 18  6  1  0  0  0  0
 19  8  1  0  0  0  0
 20 13  1  0  0  0  0
 21 12  1  0  0  0  0
 22 15  2  0  0  0  0
 23 15  1  0  0  0  0
 24 18  2  0  0  0  0
 25 24  1  0  0  0  0
 26 27  1  0  0  0  0
 27 21  2  0  0  0  0
 28 23  2  0  0  0  0
 29 22  1  0  0  0  0
 30 28  1  0  0  0  0
  3  5  1  0  0  0  0
 30 29  2  0  0  0  0
 25 19  2  0  0  0  0
 26 20  2  0  0  0  0
M  END
>  <Mol_ID> (2,264)
2264

>  <Formula> (2,264)
C23H15N3O3S

>  <MolWeight> (2,264)
413.4485

>  <COMPOUND_NAME> (2,264)
WAY-627454

>  <BAR_CODE_NO> (2,264)
90461678

$$$$
WAY-627456
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    0.3875    2.2208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958    2.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833    1.8083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3875    1.3958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958    1.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583   -1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583    3.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583   -2.4417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1625   -1.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1000   -0.2625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583    0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917   -1.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917   -3.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000   -4.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1500   -4.8917    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.3000   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375   -3.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8542   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917   -4.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1000    3.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4583    3.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7125    4.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583    4.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1625    4.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6 10  1  0  0  0  0
  7  2  1  0  0  0  0
  8 12  1  0  0  0  0
  9  6  2  0  0  0  0
 10 11  1  0  0  0  0
 11  5  1  0  0  0  0
 12  6  1  0  0  0  0
 13  8  1  0  0  0  0
 14 19  2  0  0  0  0
 15 14  1  0  0  0  0
 16 13  1  0  0  0  0
 17 13  2  0  0  0  0
 18 16  2  0  0  0  0
 19 17  1  0  0  0  0
 20  7  1  0  0  0  0
 21  7  2  0  0  0  0
 22 21  1  0  0  0  0
 23 20  2  0  0  0  0
 24 22  2  0  0  0  0
  3  5  1  0  0  0  0
 24 23  1  0  0  0  0
 18 14  1  0  0  0  0
M  END
>  <Mol_ID> (2,265)
2265

>  <Formula> (2,265)
C17H13ClN2O3S

>  <MolWeight> (2,265)
360.81472

>  <COMPOUND_NAME> (2,265)
WAY-627456

>  <BAR_CODE_NO> (2,265)
90461680

$$$$
WAY-627457
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    0.3875    2.2208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958    2.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833    1.8083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3875    1.3958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958    1.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583   -1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583    3.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1625   -1.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1000   -0.2625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583    0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583   -2.4417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917   -1.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917   -3.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000   -4.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1500   -4.8917    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.3000   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375   -3.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8542   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917   -4.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1000    3.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4583    3.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7125    4.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583    4.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1625    4.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  9  1  0  0  0  0
  7  2  1  0  0  0  0
  8  6  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
 11 12  1  0  0  0  0
 12  6  1  0  0  0  0
 13 11  1  0  0  0  0
 14 19  2  0  0  0  0
 15 14  1  0  0  0  0
 16 13  1  0  0  0  0
 17 13  2  0  0  0  0
 18 16  2  0  0  0  0
 19 17  1  0  0  0  0
 20  7  1  0  0  0  0
 21  7  2  0  0  0  0
 22 21  1  0  0  0  0
 23 20  2  0  0  0  0
 24 22  2  0  0  0  0
  3  5  1  0  0  0  0
 24 23  1  0  0  0  0
 18 14  1  0  0  0  0
M  END
>  <Mol_ID> (2,266)
2266

>  <Formula> (2,266)
C17H13BrN2O4

>  <MolWeight> (2,266)
389.20012

>  <COMPOUND_NAME> (2,266)
WAY-627457

>  <BAR_CODE_NO> (2,266)
90461681

$$$$
WAY-627483
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
    0.9167   -0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167   -1.6042    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.6292   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3417   -0.7792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5125    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2333    0.4583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3708    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6292    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6583    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000   -2.0167    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.3708    1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6292   -2.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1583    0.6208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9458    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1583    1.9583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6458    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5125    1.6958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3417   -1.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0542   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6583    2.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9458    1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0542   -2.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7750   -0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7750   -1.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4875   -2.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  5  2  0  0  0  0
  8  6  1  0  0  0  0
  9 11  1  0  0  0  0
 10  3  1  0  0  0  0
 11 16  2  0  0  0  0
 12  2  1  0  0  0  0
 13 23  1  0  0  0  0
 14  2  2  0  0  0  0
 15  9  1  0  0  0  0
 16  8  1  0  0  0  0
 17 13  1  0  0  0  0
 18 15  1  0  0  0  0
 19  6  2  0  0  0  0
 20  7  1  0  0  0  0
 21  4  1  0  0  0  0
 22  4  1  0  0  0  0
 23 24  2  0  0  0  0
 24 16  1  0  0  0  0
 25 21  1  0  0  0  0
 26 22  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 20 10  2  0  0  0  0
 27 25  1  0  0  0  0
 13  9  2  0  0  0  0
 18 17  1  0  0  0  0
M  END
>  <Mol_ID> (2,267)
2267

>  <Formula> (2,267)
C20H21N3O5

>  <MolWeight> (2,267)
383.39784

>  <COMPOUND_NAME> (2,267)
WAY-627483

>  <BAR_CODE_NO> (2,267)
90461708

$$$$
WAY-644830
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -1.3833    2.8625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8708    2.1958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3833    1.5250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6000    2.6083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6000    1.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0875    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6458    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458   -0.6542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167   -1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667   -0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833    0.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792   -0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0458   -2.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667   -1.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6292   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292    0.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958   -2.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3125   -2.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1417    0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4375   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6917    0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  7  1  0  0  0  0
  7  3  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12  6  2  0  0  0  0
 13 11  1  0  0  0  0
 14  9  1  0  0  0  0
 15 10  1  0  0  0  0
 16 13  1  0  0  0  0
 17 13  2  0  0  0  0
 18 14  2  0  0  0  0
 19 18  1  0  0  0  0
 20 17  1  0  0  0  0
 21 16  2  0  0  0  0
 22 20  2  0  0  0  0
  5  3  1  0  0  0  0
 19 15  2  0  0  0  0
 22 21  1  0  0  0  0
M  END
>  <Mol_ID> (2,268)
2268

>  <Formula> (2,268)
C16H15N5O

>  <MolWeight> (2,268)
293.3232

>  <COMPOUND_NAME> (2,268)
WAY-644830

>  <BAR_CODE_NO> (2,268)
90479410

$$$$
WAY-644842
csChFnd80/06171916322D

 16 18  0  0  0  0  0  0  0  0999 V2000
    1.8042   -0.0542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0542   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3625   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8708    1.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3583    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9500   -1.3792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0875    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417   -1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0875    0.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3417    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8708   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1833    0.4333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3417    0.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1792   -0.5792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  9  1  0  0  0  0
  5 12  1  0  0  0  0
  6  3  1  0  0  0  0
  7 11  1  0  0  0  0
  8  2  2  0  0  0  0
  9 14  1  0  0  0  0
 10  2  1  0  0  0  0
 11 10  2  0  0  0  0
 12  7  1  0  0  0  0
 13  5  2  0  0  0  0
 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
 16  3  1  0  0  0  0
  6  8  1  0  0  0  0
  9  7  2  0  0  0  0
  5  4  1  0  0  0  0
M  END
>  <Mol_ID> (2,269)
2269

>  <Formula> (2,269)
C11H9N3OS

>  <MolWeight> (2,269)
231.27366

>  <COMPOUND_NAME> (2,269)
WAY-644842

>  <BAR_CODE_NO> (2,269)
90479424

$$$$
WAY-644846
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -0.1833    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8958    0.8458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292    0.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8958    0.0208    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.6792   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9625    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2500   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2500    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833    2.0833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9625    0.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3917    0.0208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6083   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6792   -1.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3250    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6083   -1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3250   -1.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0375   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0375   -1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  2  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  8  1  0  0  0  0
  7  3  1  0  0  0  0
  8 12  1  0  0  0  0
  9  3  1  0  0  0  0
 10  4  1  0  0  0  0
 11  1  2  0  0  0  0
 12 10  2  0  0  0  0
 13  6  2  0  0  0  0
 14  5  1  0  0  0  0
 15  6  1  0  0  0  0
 16 14  1  0  0  0  0
 17 14  2  0  0  0  0
 18 17  1  0  0  0  0
 19 16  2  0  0  0  0
 20 18  2  0  0  0  0
  8  9  2  0  0  0  0
  7  5  1  0  0  0  0
 20 19  1  0  0  0  0
M  END
>  <Mol_ID> (2,270)
2270

>  <Formula> (2,270)
C16H12O4

>  <MolWeight> (2,270)
268.26408

>  <COMPOUND_NAME> (2,270)
WAY-644846

>  <BAR_CODE_NO> (2,270)
90479428

$$$$
WAY-644863
csChFnd80/06171916322D

 32 35  0  0  0  0  0  0  0  0999 V2000
   -0.0833   -2.4542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1875    2.8125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9750    1.7333    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.9750    3.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333   -1.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2333    0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667   -3.0750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6750    0.3333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9333   -0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1875    1.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3833   -1.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4583    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958   -3.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292   -1.9042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2333    3.8583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7375   -0.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0333    0.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4458   -2.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9958   -1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2292    2.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167   -3.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792   -2.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2958   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9000    3.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167    2.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8292   -3.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667   -4.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667    1.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6542    3.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7417    2.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5750   -4.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 10  1  0  0  0  0
  3  6  1  0  0  0  0
  4 12  1  0  0  0  0
  5  1  1  0  0  0  0
  6  8  1  0  0  0  0
  7  1  1  0  0  0  0
  8  9  1  0  0  0  0
  9 11  1  0  0  0  0
 10  3  1  0  0  0  0
 11  5  2  0  0  0  0
 12  3  1  0  0  0  0
 13  1  2  0  0  0  0
 14  1  2  0  0  0  0
 15  2  1  0  0  0  0
 16  4  2  0  0  0  0
 17 20  1  0  0  0  0
 18  6  2  0  0  0  0
 19  5  1  0  0  0  0
 20 19  2  0  0  0  0
 21 15  1  0  0  0  0
 22  7  1  0  0  0  0
 23  7  1  0  0  0  0
 24 17  1  0  0  0  0
 25 21  2  0  0  0  0
 26 21  1  0  0  0  0
 27 23  1  0  0  0  0
 28 22  1  0  0  0  0
 29 26  2  0  0  0  0
 30 25  1  0  0  0  0
 31 29  1  0  0  0  0
 32 27  1  0  0  0  0
 32 28  1  0  0  0  0
 17  9  2  0  0  0  0
  4  2  1  0  0  0  0
 31 30  2  0  0  0  0
M  END
>  <Mol_ID> (2,271)
2271

>  <Formula> (2,271)
C24H29N3O4S

>  <MolWeight> (2,271)
455.56976

>  <COMPOUND_NAME> (2,271)
WAY-644863

>  <BAR_CODE_NO> (2,271)
90479445

$$$$
WAY-644870
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -1.1708    0.5750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9500    0.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9500    1.6583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6167   -0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6833    1.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708    1.9083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1042   -0.8542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7917   -0.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8917   -0.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1042    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6208    0.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1417    1.2458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3792    0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8917    0.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5333   -0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8500   -1.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7917    1.2458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542    0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083   -0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2000   -0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3708    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0375    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9583   -0.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0417   -1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4042   -2.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1125   -1.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  8  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  2  0  0  0  0
  7  4  1  0  0  0  0
  8 13  1  0  0  0  0
  9  7  1  0  0  0  0
 10  4  2  0  0  0  0
 11  2  1  0  0  0  0
 12  5  1  0  0  0  0
 13 18  1  0  0  0  0
 14 10  1  0  0  0  0
 15 11  2  0  0  0  0
 16  7  1  0  0  0  0
 17 13  2  0  0  0  0
 18 12  1  0  0  0  0
 19  1  1  0  0  0  0
 20 15  1  0  0  0  0
 21 11  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 16  1  0  0  0  0
 25 16  1  0  0  0  0
 26 20  1  0  0  0  0
  3  6  1  0  0  0  0
 23 20  2  0  0  0  0
 14  9  2  0  0  0  0
M  END
>  <Mol_ID> (2,272)
2272

>  <Formula> (2,272)
C18H22N6OS

>  <MolWeight> (2,272)
370.47188

>  <COMPOUND_NAME> (2,272)
WAY-644870

>  <BAR_CODE_NO> (2,272)
90479452

$$$$
WAY-644906
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
    0.7542   -2.9375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542   -3.7625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542   -2.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4750   -0.8750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542   -0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708    2.0208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708    2.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542    0.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708   -2.9375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5792   -2.9375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4750   -1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417    0.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3833    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417   -1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417   -0.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542    2.0208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542   -5.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417   -4.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4750   -4.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3833    4.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4750   -5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417   -5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4750    0.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417    4.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1000    2.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708    4.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1000    4.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8125    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8125    4.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4 12  1  0  0  0  0
  5 16  1  0  0  0  0
  6 13  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  5  1  0  0  0  0
 10  1  2  0  0  0  0
 11  1  2  0  0  0  0
 12  3  2  0  0  0  0
 13  9  1  0  0  0  0
 14  8  2  0  0  0  0
 15  3  1  0  0  0  0
 16 15  2  0  0  0  0
 17  6  2  0  0  0  0
 18 23  1  0  0  0  0
 19  2  1  0  0  0  0
 20  2  1  0  0  0  0
 21 14  1  0  0  0  0
 22  8  1  0  0  0  0
 23 20  1  0  0  0  0
 24 19  1  0  0  0  0
 25  9  1  0  0  0  0
 26 22  2  0  0  0  0
 27 14  1  0  0  0  0
 28 26  1  0  0  0  0
 29 21  1  0  0  0  0
 30 27  2  0  0  0  0
 31 30  1  0  0  0  0
 18 24  1  0  0  0  0
  5  4  2  0  0  0  0
 28 21  2  0  0  0  0
 31 29  2  0  0  0  0
M  END
>  <Mol_ID> (2,273)
2273

>  <Formula> (2,273)
C22H24N4O4S

>  <MolWeight> (2,273)
440.51536

>  <COMPOUND_NAME> (2,273)
WAY-644906

>  <BAR_CODE_NO> (2,273)
90479489

$$$$
WAY-644908
csChFnd80/06171916322D

 29 31  0  0  0  0  0  0  0  0999 V2000
    0.4167   -2.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167   -3.2250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167   -1.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1292   -0.3375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167    0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958    2.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167    0.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4083   -2.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2417   -2.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167   -4.8750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958   -3.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1292   -3.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1292   -1.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958    1.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0125    2.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958   -1.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958   -0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167    2.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1292   -4.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958   -4.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0125    3.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0125    5.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0125    5.8417    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7250    3.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958    3.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958    4.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7250    4.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167   -5.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1292    1.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4 13  1  0  0  0  0
  5 17  1  0  0  0  0
  6 14  1  0  0  0  0
  7  5  1  0  0  0  0
  8  1  2  0  0  0  0
  9  1  2  0  0  0  0
 10 19  1  0  0  0  0
 11  2  1  0  0  0  0
 12  2  1  0  0  0  0
 13  3  2  0  0  0  0
 14  7  1  0  0  0  0
 15  6  1  0  0  0  0
 16  3  1  0  0  0  0
 17 16  2  0  0  0  0
 18  6  2  0  0  0  0
 19 12  1  0  0  0  0
 20 11  1  0  0  0  0
 21 15  1  0  0  0  0
 22 26  1  0  0  0  0
 23 22  1  0  0  0  0
 24 21  2  0  0  0  0
 25 21  1  0  0  0  0
 26 25  2  0  0  0  0
 27 24  1  0  0  0  0
 28 10  1  0  0  0  0
 29  7  1  0  0  0  0
 10 20  1  0  0  0  0
  5  4  2  0  0  0  0
 22 27  2  0  0  0  0
M  END
>  <Mol_ID> (2,274)
2274

>  <Formula> (2,274)
C19H24FN5O3S

>  <MolWeight> (2,274)
421.4889632

>  <COMPOUND_NAME> (2,274)
WAY-644908

>  <BAR_CODE_NO> (2,274)
90479491

$$$$
WAY-644918
csChFnd80/06171916322D

 32 36  0  0  0  0  0  0  0  0999 V2000
   -2.2708    0.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0208    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4667   -1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9125   -1.9667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042   -0.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1500   -1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042   -0.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0583    1.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042   -1.7917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9583   -0.8375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7875    1.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2125   -0.0542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.5708   -0.4917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0583    1.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667   -1.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7625    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2708    2.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7708    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583    0.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7708    2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5250   -2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8250   -0.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5042    0.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5667   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4875    1.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4875    1.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6292   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3292   -2.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1167    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0542    1.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8667    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8875   -1.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  2  0  0  0  0
  5  7  1  0  0  0  0
  6 10  1  0  0  0  0
  7  6  2  0  0  0  0
  8  1  1  0  0  0  0
  9  6  1  0  0  0  0
 10 12  1  0  0  0  0
 11  1  1  0  0  0  0
 12  2  1  0  0  0  0
 13  2  2  0  0  0  0
 14  8  2  0  0  0  0
 15  3  1  0  0  0  0
 16  5  1  0  0  0  0
 17 11  1  0  0  0  0
 18  8  1  0  0  0  0
 19 12  1  0  0  0  0
 20 14  1  0  0  0  0
 21 15  1  0  0  0  0
 22 15  2  0  0  0  0
 23 16  2  0  0  0  0
 24 16  1  0  0  0  0
 25 18  2  0  0  0  0
 26 25  1  0  0  0  0
 27 22  1  0  0  0  0
 28 21  2  0  0  0  0
 29 24  2  0  0  0  0
 30 23  1  0  0  0  0
 31 29  1  0  0  0  0
 32 27  2  0  0  0  0
 14 17  1  0  0  0  0
 26 20  2  0  0  0  0
  3  5  2  0  0  0  0
 31 30  2  0  0  0  0
 32 28  1  0  0  0  0
M  END
>  <Mol_ID> (2,275)
2275

>  <Formula> (2,275)
C26H22N4OS

>  <MolWeight> (2,275)
438.54408

>  <COMPOUND_NAME> (2,275)
WAY-644918

>  <BAR_CODE_NO> (2,275)
90479501

$$$$
WAY-644925
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
    2.0667    0.0208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3542    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6417    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7875    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7875   -0.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3583    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3542    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.4333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4792    0.7333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542   -0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3583    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1458    0.1750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1458    1.5083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6333    0.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6458    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7875   -0.8042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6417    1.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6458    1.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9333    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7875   -1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2208    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667    1.6708    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.9333    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -1.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2167   -1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -2.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2167   -2.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9292   -1.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9292   -2.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  6  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  2  0  0  0  0
  7 16  1  0  0  0  0
  8  2  2  0  0  0  0
  9  4  1  0  0  0  0
 10  1  2  0  0  0  0
 11  1  2  0  0  0  0
 12 20  1  0  0  0  0
 13  7  1  0  0  0  0
 14 12  1  0  0  0  0
 15 13  1  0  0  0  0
 16 21  2  0  0  0  0
 17  4  2  0  0  0  0
 18 19  2  0  0  0  0
 19  8  1  0  0  0  0
 20 25  2  0  0  0  0
 21 23  1  0  0  0  0
 22  5  1  0  0  0  0
 23  9  1  0  0  0  0
 24  8  1  0  0  0  0
 25 21  1  0  0  0  0
 26 22  1  0  0  0  0
 27 26  2  0  0  0  0
 28 26  1  0  0  0  0
 29 28  2  0  0  0  0
 30 27  1  0  0  0  0
 31 29  1  0  0  0  0
  6 18  1  0  0  0  0
 31 30  2  0  0  0  0
 12  7  2  0  0  0  0
 15 14  1  0  0  0  0
M  END
>  <Mol_ID> (2,276)
2276

>  <Formula> (2,276)
C22H19ClN2O5S

>  <MolWeight> (2,276)
458.91466

>  <COMPOUND_NAME> (2,276)
WAY-644925

>  <BAR_CODE_NO> (2,276)
90479508

$$$$
WAY-644963
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    0.8417    1.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833   -2.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417    2.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292    1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2500   -2.6792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417    0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5542    2.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292    2.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833   -1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792   -2.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5542    1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958   -3.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1708   -3.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292   -0.9625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292   -0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2750    2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5542   -0.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000   -0.9625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833    1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4833   -4.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000    1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000    2.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  9  1  0  0  0  0
  3  7  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7 11  1  0  0  0  0
  8  4  2  0  0  0  0
  9 14  1  0  0  0  0
 10  2  2  0  0  0  0
 11  1  1  0  0  0  0
 12  5  1  0  0  0  0
 13 10  1  0  0  0  0
 14 15  1  0  0  0  0
 15  6  1  0  0  0  0
 16  7  2  0  0  0  0
 17  6  2  0  0  0  0
 18  9  2  0  0  0  0
 19  4  1  0  0  0  0
 20  8  1  0  0  0  0
 21 12  1  0  0  0  0
 22 19  2  0  0  0  0
 23 22  1  0  0  0  0
  3  8  1  0  0  0  0
 23 20  2  0  0  0  0
 13 12  2  0  0  0  0
M  END
>  <Mol_ID> (2,277)
2277

>  <Formula> (2,277)
C16H14N2O4S

>  <MolWeight> (2,277)
330.35836

>  <COMPOUND_NAME> (2,277)
WAY-644963

>  <BAR_CODE_NO> (2,277)
90479547

$$$$
WAY-645069
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    0.8375   -1.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5500   -1.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8375   -0.4792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3083    0.7583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9792   -1.7167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5500   -2.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167   -1.7167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0208    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167    0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5958   -0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3083   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5958    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667   -1.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667   -2.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667   -3.7792    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.0208    1.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9792   -2.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3083    2.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7375    2.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7375    3.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3083    3.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0208    3.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4 12  1  0  0  0  0
  5 14  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  2  0  0  0  0
  8  3  1  0  0  0  0
  9  4  1  0  0  0  0
 10  8  1  0  0  0  0
 11  8  1  0  0  0  0
 12 11  1  0  0  0  0
 13 10  1  0  0  0  0
 14  2  2  0  0  0  0
 15  6  2  0  0  0  0
 16 15  1  0  0  0  0
 17  9  1  0  0  0  0
 18  5  2  0  0  0  0
 19 17  1  0  0  0  0
 20 17  2  0  0  0  0
 21 20  1  0  0  0  0
 22 19  2  0  0  0  0
 23 21  2  0  0  0  0
  4 13  1  0  0  0  0
 18 15  1  0  0  0  0
 23 22  1  0  0  0  0
M  END
>  <Mol_ID> (2,278)
2278

>  <Formula> (2,278)
C18H20BrN3O

>  <MolWeight> (2,278)
374.2749

>  <COMPOUND_NAME> (2,278)
WAY-645069

>  <BAR_CODE_NO> (2,278)
90479654

$$$$
WAY-645098
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -0.0625    3.4833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458    4.1417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0625    4.8125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7250    4.5542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7250    3.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208    2.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833    0.3458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833   -1.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792   -0.0917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208    2.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    1.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4875   -2.4500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667   -3.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333   -1.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667   -4.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3833    1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208    1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7167   -4.9042    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667   -2.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1875   -3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4250   -3.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3625   -4.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6  8  1  0  0  0  0
  7  1  1  0  0  0  0
  8 13  1  0  0  0  0
  9  6  1  0  0  0  0
 10  6  2  0  0  0  0
 11  7  2  0  0  0  0
 12  7  1  0  0  0  0
 13 19  1  0  0  0  0
 14 16  1  0  0  0  0
 15 14  1  0  0  0  0
 16  9  1  0  0  0  0
 17 24  2  0  0  0  0
 18 11  1  0  0  0  0
 19 12  2  0  0  0  0
 20 17  1  0  0  0  0
 21 15  1  0  0  0  0
 22 15  2  0  0  0  0
 23 21  2  0  0  0  0
 24 22  1  0  0  0  0
  3  4  1  0  0  0  0
 13 18  2  0  0  0  0
 23 17  1  0  0  0  0
M  END
>  <Mol_ID> (2,279)
2279

>  <Formula> (2,279)
C16H14FN5OS

>  <MolWeight> (2,279)
343.3786632

>  <COMPOUND_NAME> (2,279)
WAY-645098

>  <BAR_CODE_NO> (2,279)
90479683

$$$$
WAY-645129
csChFnd80/06171916322D

 31 35  0  0  0  0  0  0  0  0999 V2000
   -0.6958    0.0083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833   -0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0917   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0917   -1.0750    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.6958   -1.3292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583    2.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9500    0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1708    2.8583    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.4375    2.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792   -1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4375    3.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583    3.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9000   -2.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4042   -1.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0083   -0.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542    0.2333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5750   -3.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042    1.2333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7167   -2.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542   -2.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667   -3.7167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542   -3.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667   -1.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542    2.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1500    2.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1500    3.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2125   -2.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875   -3.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8708    2.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8708    3.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  1  1  0  0  0  0
  9  6  1  0  0  0  0
 10  6  1  0  0  0  0
 11  4  1  0  0  0  0
 12 10  2  0  0  0  0
 13  9  1  0  0  0  0
 14 15  1  0  0  0  0
 15 11  2  0  0  0  0
 16  2  2  0  0  0  0
 17  3  2  0  0  0  0
 18 23  1  0  0  0  0
 19  7  2  0  0  0  0
 20 14  1  0  0  0  0
 21 11  1  0  0  0  0
 22 18  1  0  0  0  0
 23 21  2  0  0  0  0
 24  4  1  0  0  0  0
 25  9  1  0  0  0  0
 26 10  1  0  0  0  0
 27 12  1  0  0  0  0
 28 20  1  0  0  0  0
 29 22  1  0  0  0  0
 30 26  2  0  0  0  0
 31 30  1  0  0  0  0
  4  5  1  0  0  0  0
 12 13  1  0  0  0  0
 18 14  2  0  0  0  0
 31 27  2  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (2,280)
2280

>  <Formula> (2,280)
C23H23N3O5

>  <MolWeight> (2,280)
421.44582

>  <COMPOUND_NAME> (2,280)
WAY-645129

>  <BAR_CODE_NO> (2,280)
90479714

$$$$
WAY-645187
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
    3.0917   -0.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3542   -1.3542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3542   -0.5292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083    0.4875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5750   -0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8583    0.4875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5750   -1.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6167    0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6833    0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6208   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6208    1.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4458    1.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4458   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292    1.2083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0958    1.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0958   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8542   -0.2167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667   -0.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3333    0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9208   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9208    1.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1583    0.4875    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3167    0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3167   -2.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  2  0  0  0  0
  3  5  1  0  0  0  0
  4  8  1  0  0  0  0
  5  1  2  0  0  0  0
  6 12  1  0  0  0  0
  7  1  1  0  0  0  0
  8 20  1  0  0  0  0
  9  6  1  0  0  0  0
 10  4  1  0  0  0  0
 11  4  1  0  0  0  0
 12 11  1  0  0  0  0
 13 10  1  0  0  0  0
 14  8  2  0  0  0  0
 15  9  1  0  0  0  0
 16  9  2  0  0  0  0
 17 18  1  0  0  0  0
 18  1  1  0  0  0  0
 19 21  2  0  0  0  0
 20 17  1  0  0  0  0
 21 16  1  0  0  0  0
 22 15  2  0  0  0  0
 23 19  1  0  0  0  0
 24  5  1  0  0  0  0
 25  7  1  0  0  0  0
  3  2  1  0  0  0  0
  6 13  1  0  0  0  0
 19 22  1  0  0  0  0
M  END
>  <Mol_ID> (2,281)
2281

>  <Formula> (2,281)
C18H22FN3O2S

>  <MolWeight> (2,281)
363.4495832

>  <COMPOUND_NAME> (2,281)
WAY-645187

>  <BAR_CODE_NO> (2,281)
90479774

$$$$
WAY-645192
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -2.1958    0.5208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0208    0.5208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5792   -0.9125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0625   -1.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333   -0.1917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1958    1.3458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1958   -0.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9583   -0.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8042   -2.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9583    1.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042    0.5208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333    1.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7542   -0.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0625   -0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4333    1.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4333   -0.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8417   -1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3417   -0.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8417   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5167   -0.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2583   -0.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2583    1.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6708    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4 15  1  0  0  0  0
  5  4  1  0  0  0  0
  6 10  1  0  0  0  0
  7  1  2  0  0  0  0
  8  1  2  0  0  0  0
  9 14  1  0  0  0  0
 10  2  2  0  0  0  0
 11  5  2  0  0  0  0
 12  2  1  0  0  0  0
 13  9  1  0  0  0  0
 14 12  2  0  0  0  0
 15 20  1  0  0  0  0
 16  4  1  0  0  0  0
 17  3  1  0  0  0  0
 18  3  1  0  0  0  0
 19  5  1  0  0  0  0
 20 22  1  0  0  0  0
 21 16  1  0  0  0  0
 22 13  1  0  0  0  0
 23 18  1  0  0  0  0
 24 17  1  0  0  0  0
 25 23  1  0  0  0  0
 25 24  1  0  0  0  0
  9  6  2  0  0  0  0
 21 19  1  0  0  0  0
M  END
>  <Mol_ID> (2,282)
2282

>  <Formula> (2,282)
C17H26N4O3S

>  <MolWeight> (2,282)
366.47834

>  <COMPOUND_NAME> (2,282)
WAY-645192

>  <BAR_CODE_NO> (2,282)
90479779

$$$$
WAY-645202
csChFnd80/06171916322D

 30 32  0  0  0  0  0  0  0  0999 V2000
    1.4667   -3.7542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708    2.4583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833    2.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708    3.2833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7250   -2.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0542   -1.6667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833    3.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8000    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0542   -2.4917    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.8000    3.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3417   -1.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708    0.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292   -4.2542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7375   -4.5417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3917   -2.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6417   -3.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7750   -1.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833    4.5167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3417   -0.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708   -1.6667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708   -0.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3417    1.2208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5125    2.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5125    3.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4875   -1.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2042   -1.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4875   -2.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2333    3.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2333    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3 11  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8  3  1  0  0  0  0
  9  5  1  0  0  0  0
 10  8  2  0  0  0  0
 11 13  1  0  0  0  0
 12  6  1  0  0  0  0
 13 22  1  0  0  0  0
 14  1  2  0  0  0  0
 15  1  2  0  0  0  0
 16 17  1  0  0  0  0
 17  1  1  0  0  0  0
 18  6  1  0  0  0  0
 19  7  2  0  0  0  0
 20 12  1  0  0  0  0
 21 12  2  0  0  0  0
 22 20  1  0  0  0  0
 23 13  2  0  0  0  0
 24  8  1  0  0  0  0
 25 10  1  0  0  0  0
 26 18  1  0  0  0  0
 27 26  1  0  0  0  0
 28 26  1  0  0  0  0
 29 30  1  0  0  0  0
 30 24  2  0  0  0  0
 16  9  1  0  0  0  0
  7  4  1  0  0  0  0
 29 25  2  0  0  0  0
M  END
>  <Mol_ID> (2,283)
2283

>  <Formula> (2,283)
C20H25N3O6S

>  <MolWeight> (2,283)
435.494

>  <COMPOUND_NAME> (2,283)
WAY-645202

>  <BAR_CODE_NO> (2,283)
90479789

$$$$
WAY-645316
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
    2.6667    0.3375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667   -0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0792   -0.3750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8542    0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5250   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0542   -1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9458   -0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2333   -1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0875   -0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    1.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9458    0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8000   -1.0667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7333   -0.9042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3417   -0.6542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7333    0.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5125   -0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2208   -0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0542   -1.8917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0875    0.1708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2333    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708   -1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2417    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5125    0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6917   -1.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8167    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5167    1.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8500    2.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1542    1.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6667    2.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  2  0  0  0  0
  6  2  1  0  0  0  0
  7  8  1  0  0  0  0
  8 16  2  0  0  0  0
  9 21  1  0  0  0  0
 10  1  1  0  0  0  0
 11 20  1  0  0  0  0
 12  9  1  0  0  0  0
 13  7  1  0  0  0  0
 14  6  1  0  0  0  0
 15 11  1  0  0  0  0
 16 12  1  0  0  0  0
 17 13  1  0  0  0  0
 18  6  2  0  0  0  0
 19  9  2  0  0  0  0
 20 23  2  0  0  0  0
 21 14  1  0  0  0  0
 22  4  1  0  0  0  0
 23 16  1  0  0  0  0
 24  5  1  0  0  0  0
 25 10  1  0  0  0  0
 26 10  2  0  0  0  0
 27 26  1  0  0  0  0
 28 25  2  0  0  0  0
 29 27  2  0  0  0  0
  2  5  1  0  0  0  0
 29 28  1  0  0  0  0
 11  7  2  0  0  0  0
 17 15  1  0  0  0  0
M  END
>  <Mol_ID> (2,284)
2284

>  <Formula> (2,284)
C21H19N3O5

>  <MolWeight> (2,284)
393.39266

>  <COMPOUND_NAME> (2,284)
WAY-645316

>  <BAR_CODE_NO> (2,284)
90479904

$$$$
WAY-645323
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
    2.2750   -0.7042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7875   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2750    0.6333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0542   -0.4500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0542    0.3750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167   -1.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   -1.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9625   -0.0292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5667   -2.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2750    0.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9542   -2.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7500    2.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6875   -0.0292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5500    0.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1625    2.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6875    1.3958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5042   -3.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5125    1.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542   -1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9250    2.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1625    1.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9875    2.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542   -3.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9875    1.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4083    2.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  1  1  0  0  0  0
  7  6  2  0  0  0  0
  8  2  1  0  0  0  0
  9  6  1  0  0  0  0
 10 14  1  0  0  0  0
 11  7  1  0  0  0  0
 12 21  1  0  0  0  0
 13 10  2  0  0  0  0
 14  8  1  0  0  0  0
 15 12  2  0  0  0  0
 16 10  1  0  0  0  0
 17  9  2  0  0  0  0
 18 17  1  0  0  0  0
 19 16  1  0  0  0  0
 20  7  1  0  0  0  0
 21 19  1  0  0  0  0
 22 12  1  0  0  0  0
 23 15  1  0  0  0  0
 24 18  1  0  0  0  0
 25 22  1  0  0  0  0
 26 25  1  0  0  0  0
  3  5  1  0  0  0  0
 18 11  2  0  0  0  0
 26 23  1  0  0  0  0
M  END
>  <Mol_ID> (2,285)
2285

>  <Formula> (2,285)
C19H25N5OS

>  <MolWeight> (2,285)
371.4997

>  <COMPOUND_NAME> (2,285)
WAY-645323

>  <BAR_CODE_NO> (2,285)
90479911

$$$$
WAY-645332
csChFnd80/06171916322D

 34 37  0  0  0  0  0  0  0  0999 V2000
    1.6542    2.2083    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9125    0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9125    0.1375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3667    1.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9125   -1.5125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9417    2.6125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0875    2.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    1.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2417    1.4833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667    2.9125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000    1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9125   -2.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000   -0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6333   -0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000   -1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6333   -1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6333    1.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3667    0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0875    0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292    2.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6333   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833    0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000    2.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5167    2.2083    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.5167    0.5500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9125   -3.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833    2.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292    1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000   -3.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6333   -3.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9125   -4.8125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000   -5.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 11  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5 17  1  0  0  0  0
  6  1  1  0  0  0  0
  7  4  2  0  0  0  0
  8  7  1  0  0  0  0
  9  1  2  0  0  0  0
 10  1  2  0  0  0  0
 11 24  1  0  0  0  0
 12  5  1  0  0  0  0
 13 20  1  0  0  0  0
 14  3  1  0  0  0  0
 15  3  1  0  0  0  0
 16 14  1  0  0  0  0
 17 15  1  0  0  0  0
 18  2  2  0  0  0  0
 19  4  1  0  0  0  0
 20 19  2  0  0  0  0
 21  6  1  0  0  0  0
 22 12  1  0  0  0  0
 23 12  2  0  0  0  0
 24 30  2  0  0  0  0
 25 29  1  0  0  0  0
 26  8  1  0  0  0  0
 27 13  1  0  0  0  0
 28 32  2  0  0  0  0
 29 21  2  0  0  0  0
 30 21  1  0  0  0  0
 31 22  2  0  0  0  0
 32 23  1  0  0  0  0
 33 28  1  0  0  0  0
 34 33  1  0  0  0  0
 11 25  2  0  0  0  0
 13  8  2  0  0  0  0
 16  5  1  0  0  0  0
 31 28  1  0  0  0  0
M  END
>  <Mol_ID> (2,286)
2286

>  <Formula> (2,286)
C24H23F2N3O4S

>  <MolWeight> (2,286)
487.5189264

>  <COMPOUND_NAME> (2,286)
WAY-645332

>  <BAR_CODE_NO> (2,286)
90479920

$$$$
WAY-645428
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
    0.6667    2.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542    3.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292   -2.5417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6667    3.7083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292   -1.2125    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.1125   -2.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208    2.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208    3.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0750   -0.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1583   -1.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1125   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167    1.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0750   -3.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7333   -3.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6250    0.1833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0708   -4.2542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792   -2.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667    0.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7333   -0.2542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458   -2.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8958   -4.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0625   -3.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292    1.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9792    3.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8333    2.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8333    3.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458    2.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458    3.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3 10  1  0  0  0  0
  4  2  1  0  0  0  0
  5  9  1  0  0  0  0
  6 11  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  2  0  0  0  0
  9 15  1  0  0  0  0
 10  5  1  0  0  0  0
 11  5  1  0  0  0  0
 12  1  1  0  0  0  0
 13  3  1  0  0  0  0
 14 13  1  0  0  0  0
 15 18  1  0  0  0  0
 16 14  1  0  0  0  0
 17  6  2  0  0  0  0
 18 12  1  0  0  0  0
 19  9  2  0  0  0  0
 20 14  2  0  0  0  0
 21 16  1  0  0  0  0
 22 20  1  0  0  0  0
 23 12  2  0  0  0  0
 24  2  1  0  0  0  0
 25  7  1  0  0  0  0
 26  8  1  0  0  0  0
 27 25  2  0  0  0  0
 28 27  1  0  0  0  0
  8  4  1  0  0  0  0
 28 26  2  0  0  0  0
  6  3  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (2,287)
2287

>  <Formula> (2,287)
C21H20N2O5

>  <MolWeight> (2,287)
380.3939

>  <COMPOUND_NAME> (2,287)
WAY-645428

>  <BAR_CODE_NO> (2,287)
90480016

$$$$
WAY-645492
csChFnd80/06171916322D

 23 26  0  0  0  0  0  0  0  0999 V2000
   -0.2333    1.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7125    1.7250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542    1.3125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542    2.1458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333    2.3958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7250   -2.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5542   -2.9792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667   -3.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833    0.2750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5417   -2.0917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8792   -2.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5375    1.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667   -1.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4250   -0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667   -1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667   -0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8750   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1875   -1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9500    1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9500    2.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7750    2.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7750    1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1875    1.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6 13  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  1  1  0  0  0  0
 10  6  1  0  0  0  0
 11 10  1  0  0  0  0
 12  2  1  0  0  0  0
 13 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16  9  1  0  0  0  0
 17 16  2  0  0  0  0
 18 16  1  0  0  0  0
 19 12  2  0  0  0  0
 20 12  1  0  0  0  0
 21 20  2  0  0  0  0
 22 19  1  0  0  0  0
 23 21  1  0  0  0  0
  5  4  2  0  0  0  0
 13 14  2  0  0  0  0
 23 22  2  0  0  0  0
 11  8  2  0  0  0  0
M  END
>  <Mol_ID> (2,288)
2288

>  <Formula> (2,288)
C15H10N6O2

>  <MolWeight> (2,288)
306.2789

>  <COMPOUND_NAME> (2,288)
WAY-645492

>  <BAR_CODE_NO> (2,288)
90480083

$$$$
WAY-645498
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -1.6083    0.3833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8958   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3250    0.7958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833   -1.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9625   -0.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6792   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1958    1.0958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0208   -0.3292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292   -0.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2500   -1.2667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3917   -0.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8958   -0.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9625   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3917   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6792   -2.0917    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6792    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1042    0.3833    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.3250    1.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0375    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7583    0.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0375    2.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7583    1.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4 12  1  0  0  0  0
  5 10  1  0  0  0  0
  6  5  2  0  0  0  0
  7  1  2  0  0  0  0
  8  1  2  0  0  0  0
  9 17  1  0  0  0  0
 10  9  1  0  0  0  0
 11  6  1  0  0  0  0
 12  2  2  0  0  0  0
 13  2  1  0  0  0  0
 14  5  1  0  0  0  0
 15 18  1  0  0  0  0
 16  6  1  0  0  0  0
 17 13  2  0  0  0  0
 18 14  2  0  0  0  0
 19 15  1  0  0  0  0
 20  3  1  0  0  0  0
 21  3  1  0  0  0  0
 22 21  1  0  0  0  0
 23 20  1  0  0  0  0
 24 22  1  0  0  0  0
 24 23  1  0  0  0  0
  9  4  2  0  0  0  0
 15 11  2  0  0  0  0
M  END
>  <Mol_ID> (2,289)
2289

>  <Formula> (2,289)
C16H16BrFN2O3S

>  <MolWeight> (2,289)
415.2772432

>  <COMPOUND_NAME> (2,289)
WAY-645498

>  <BAR_CODE_NO> (2,289)
90480089

$$$$
WAY-645511
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -0.4500   -0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2625   -0.7917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2625    0.8583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4500    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2625   -1.6167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4500   -2.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708   -0.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708   -1.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2625    1.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6917    1.6833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6917    0.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9750    2.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9750    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708    0.8583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4500   -2.8542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4042    0.4458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9750   -2.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8833   -0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8833   -2.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4500    2.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9750    2.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6917   -1.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5958   -0.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5958   -1.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4500    2.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2625    3.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4042   -2.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  8  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  2  0  0  0  0
  9  3  1  0  0  0  0
 10 11  1  0  0  0  0
 11 13  1  0  0  0  0
 12  9  2  0  0  0  0
 13  3  1  0  0  0  0
 14  4  2  0  0  0  0
 15  6  2  0  0  0  0
 16 11  2  0  0  0  0
 17  5  1  0  0  0  0
 18  7  1  0  0  0  0
 19  8  1  0  0  0  0
 20  9  1  0  0  0  0
 21 12  1  0  0  0  0
 22 17  1  0  0  0  0
 23 18  2  0  0  0  0
 24 23  1  0  0  0  0
 25 20  2  0  0  0  0
 26 25  1  0  0  0  0
 27 22  1  0  0  0  0
  6  5  1  0  0  0  0
 24 19  2  0  0  0  0
 10 12  1  0  0  0  0
 26 21  2  0  0  0  0
M  END
>  <Mol_ID> (2,290)
2290

>  <Formula> (2,290)
C20H18N4O3

>  <MolWeight> (2,290)
362.38192

>  <COMPOUND_NAME> (2,290)
WAY-645511

>  <BAR_CODE_NO> (2,290)
90480103

$$$$
WAY-645522
csChFnd80/06171916322D

 30 32  0  0  0  0  0  0  0  0999 V2000
    0.3542    1.5333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542    0.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0750   -0.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0750   -1.7667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583    0.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542    2.3583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0750   -4.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667    0.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1792    1.5333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4708    1.5333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7875   -0.5292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583   -2.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7875   -2.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0750   -3.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542   -0.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7875   -4.6542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542    4.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7875   -3.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583   -3.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667    3.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667    2.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792    0.7083    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583   -4.6542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667    5.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583   -5.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792    4.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  6  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  5  2  0  0  0  0
  7  1  1  0  0  0  0
  8 15  1  0  0  0  0
  9  2  2  0  0  0  0
 10  1  2  0  0  0  0
 11  1  2  0  0  0  0
 12  3  2  0  0  0  0
 13  4  1  0  0  0  0
 14  4  1  0  0  0  0
 15 20  1  0  0  0  0
 16 19  2  0  0  0  0
 17  8  2  0  0  0  0
 18 26  1  0  0  0  0
 19  9  1  0  0  0  0
 20 14  1  0  0  0  0
 21 13  1  0  0  0  0
 22 23  1  0  0  0  0
 23  7  1  0  0  0  0
 24  9  1  0  0  0  0
 25  8  1  0  0  0  0
 26 22  2  0  0  0  0
 27 30  1  0  0  0  0
 28 22  1  0  0  0  0
 29 25  1  0  0  0  0
 30 28  2  0  0  0  0
 16  6  1  0  0  0  0
 27 18  2  0  0  0  0
 21 15  1  0  0  0  0
M  END
>  <Mol_ID> (2,291)
2291

>  <Formula> (2,291)
C20H22ClN3O5S

>  <MolWeight> (2,291)
451.92378

>  <COMPOUND_NAME> (2,291)
WAY-645522

>  <BAR_CODE_NO> (2,291)
90480114

$$$$
WAY-645570
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
    2.0917   -0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5167   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0917   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8042   -1.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3792    0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8042    0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5167   -0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3458    0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7708   -0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3458    1.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1208   -0.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6625   -0.1750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1208    1.3208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6083    0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4833    0.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6208   -0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3792    1.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7708   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6208    1.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0500    0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9083    0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1958   -0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9083    1.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3792   -1.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8042   -2.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8042    1.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2375    0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5167   -2.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5167    1.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2375    1.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  1  1  0  0  0  0
  6  1  2  0  0  0  0
  7  6  1  0  0  0  0
  8 16  1  0  0  0  0
  9 20  1  0  0  0  0
 10 19  1  0  0  0  0
 11  8  1  0  0  0  0
 12  5  1  0  0  0  0
 13 10  1  0  0  0  0
 14 11  1  0  0  0  0
 15  9  1  0  0  0  0
 16 21  2  0  0  0  0
 17  5  2  0  0  0  0
 18  9  2  0  0  0  0
 19 23  2  0  0  0  0
 20 12  1  0  0  0  0
 21 22  1  0  0  0  0
 22 15  1  0  0  0  0
 23 21  1  0  0  0  0
 24  3  1  0  0  0  0
 25  4  1  0  0  0  0
 26  6  1  0  0  0  0
 27  7  1  0  0  0  0
 28 25  1  0  0  0  0
 29 26  2  0  0  0  0
 30 29  1  0  0  0  0
  2  4  1  0  0  0  0
 30 27  2  0  0  0  0
 10  8  2  0  0  0  0
 14 13  1  0  0  0  0
M  END
>  <Mol_ID> (2,292)
2292

>  <Formula> (2,292)
C23H22N2O5

>  <MolWeight> (2,292)
406.43118

>  <COMPOUND_NAME> (2,292)
WAY-645570

>  <BAR_CODE_NO> (2,292)
90480163

$$$$
WAY-645576
csChFnd80/06171916322D

 35 39  0  0  0  0  0  0  0  0999 V2000
    1.5625    0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8500    0.6125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292   -0.6250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5625   -0.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292    0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8500   -1.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3417    0.4583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3417   -0.8792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8292   -0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833   -1.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2958   -0.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8500    1.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1583   -0.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833    0.6125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8500   -1.8625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4375   -1.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6042   -1.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0083   -1.0375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1583    0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9375   -0.8792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9375    0.4583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7250   -0.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4208   -0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2958    0.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4375    0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7250    0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5625    1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4042   -1.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5625    2.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2792    1.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6625   -2.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9625   -1.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9917    1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2792    3.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9917    2.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  6  1  0  0  0  0
  4  1  2  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  1  1  0  0  0  0
  8  4  1  0  0  0  0
  9  7  2  0  0  0  0
 10  3  1  0  0  0  0
 11 10  1  0  0  0  0
 12  2  1  0  0  0  0
 13 16  1  0  0  0  0
 14  5  2  0  0  0  0
 15  6  2  0  0  0  0
 16 22  2  0  0  0  0
 17  8  1  0  0  0  0
 18 11  1  0  0  0  0
 19 25  1  0  0  0  0
 20 13  1  0  0  0  0
 21 19  1  0  0  0  0
 22 18  1  0  0  0  0
 23 20  1  0  0  0  0
 24 11  2  0  0  0  0
 25 26  2  0  0  0  0
 26 22  1  0  0  0  0
 27 12  1  0  0  0  0
 28 17  1  0  0  0  0
 29 27  2  0  0  0  0
 30 27  1  0  0  0  0
 31 28  1  0  0  0  0
 32 28  1  0  0  0  0
 33 30  2  0  0  0  0
 34 29  1  0  0  0  0
 35 33  1  0  0  0  0
  9  8  1  0  0  0  0
  3  5  1  0  0  0  0
 35 34  2  0  0  0  0
 19 13  2  0  0  0  0
 23 21  1  0  0  0  0
M  END
>  <Mol_ID> (2,293)
2293

>  <Formula> (2,293)
C25H25N5O5

>  <MolWeight> (2,293)
475.4965

>  <COMPOUND_NAME> (2,293)
WAY-645576

>  <BAR_CODE_NO> (2,293)
90480169

$$$$
WAY-645586
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -2.5958   -1.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8833   -0.8667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5958    0.3708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3083   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1167    0.3708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8833   -0.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3083   -0.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4042   -0.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2625    0.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5958   -2.1042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8292   -0.0417    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.1167    1.1958    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.6917    0.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4042   -0.8667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9750   -0.0417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2625    1.1958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708    0.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4500   -0.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0333   -1.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0333    0.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5500    1.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8292    1.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5500    0.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8292   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4042    1.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7375   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7375   -0.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  7  1  0  0  0  0
  4  1  1  0  0  0  0
  5  8  1  0  0  0  0
  6  2  1  0  0  0  0
  7  4  2  0  0  0  0
  8 13  1  0  0  0  0
  9 18  1  0  0  0  0
 10  1  2  0  0  0  0
 11  5  1  0  0  0  0
 12  5  1  0  0  0  0
 13 15  1  0  0  0  0
 14  8  2  0  0  0  0
 15  9  1  0  0  0  0
 16  9  2  0  0  0  0
 17  6  1  0  0  0  0
 18 17  1  0  0  0  0
 19  4  1  0  0  0  0
 20  7  1  0  0  0  0
 21 22  1  0  0  0  0
 22 12  1  0  0  0  0
 23 11  1  0  0  0  0
 24 11  1  0  0  0  0
 25 12  1  0  0  0  0
 26 19  2  0  0  0  0
 27 26  1  0  0  0  0
  3  6  2  0  0  0  0
 27 20  2  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (2,294)
2294

>  <Formula> (2,294)
C20H25N3O4

>  <MolWeight> (2,294)
371.4302

>  <COMPOUND_NAME> (2,294)
WAY-645586

>  <BAR_CODE_NO> (2,294)
90480179

$$$$
WAY-645595
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
   -1.9333   -1.8167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208   -1.4042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542    2.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2125   -0.5792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1375    2.0500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9250   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542    3.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6458   -2.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6250    2.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3458   -1.1042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5208   -2.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083   -1.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1375    3.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6417    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2125   -1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6417    1.0708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9250    0.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6417   -0.5792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3625   -1.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6458   -3.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0833   -3.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3625   -3.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0833   -2.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7958   -3.4667    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6417    3.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4125    2.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4125    2.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9250    3.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9250    2.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3 15  1  0  0  0  0
  4 17  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  7  3  2  0  0  0  0
  8  1  1  0  0  0  0
  9  5  1  0  0  0  0
 10  1  2  0  0  0  0
 11  1  2  0  0  0  0
 12  2  1  0  0  0  0
 13  2  1  0  0  0  0
 14  7  1  0  0  0  0
 15 18  1  0  0  0  0
 16 12  1  0  0  0  0
 17 13  1  0  0  0  0
 18 19  1  0  0  0  0
 19  6  1  0  0  0  0
 20  6  2  0  0  0  0
 21  8  1  0  0  0  0
 22  8  2  0  0  0  0
 23 24  2  0  0  0  0
 24 22  1  0  0  0  0
 25 21  2  0  0  0  0
 26 23  1  0  0  0  0
 27 30  2  0  0  0  0
 28  9  1  0  0  0  0
 29  9  1  0  0  0  0
 30 31  1  0  0  0  0
 31 15  2  0  0  0  0
 23 25  1  0  0  0  0
 16  4  1  0  0  0  0
 27  7  1  0  0  0  0
 14  9  1  0  0  0  0
M  END
>  <Mol_ID> (2,295)
2295

>  <Formula> (2,295)
C22H25FN2O5S

>  <MolWeight> (2,295)
448.5077032

>  <COMPOUND_NAME> (2,295)
WAY-645595

>  <BAR_CODE_NO> (2,295)
90480188

$$$$
WAY-645605
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -0.0333   -0.0917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333    0.7333    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.7500   -0.3500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.0042   -1.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    0.9833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8208   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2292    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542   -1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8208    0.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333    1.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8125   -1.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3083    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0750   -1.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792    1.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333    3.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    2.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792    2.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333    4.0250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3375   -1.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667   -2.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3625   -3.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0125   -1.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0625   -2.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4500   -3.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  1  0  0  0  0
  9  2  1  0  0  0  0
 10  2  1  0  0  0  0
 11  4  2  0  0  0  0
 12  6  1  0  0  0  0
 13  6  2  0  0  0  0
 14 10  1  0  0  0  0
 15 10  2  0  0  0  0
 16 18  2  0  0  0  0
 17 14  2  0  0  0  0
 18 15  1  0  0  0  0
 19 16  1  0  0  0  0
 20  8  1  0  0  0  0
 21  8  1  0  0  0  0
 22 21  1  0  0  0  0
 23 20  1  0  0  0  0
 24 23  1  0  0  0  0
 25 22  1  0  0  0  0
 12  9  1  0  0  0  0
  5  7  1  0  0  0  0
 17 16  1  0  0  0  0
 25 24  1  0  0  0  0
M  END
>  <Mol_ID> (2,296)
2296

>  <Formula> (2,296)
C19H23FN2O2S

>  <MolWeight> (2,296)
362.4615232

>  <COMPOUND_NAME> (2,296)
WAY-645605

>  <BAR_CODE_NO> (2,296)
90480198

$$$$
WAY-645655
csChFnd80/06171916322D

 28 30  0  0  0  0  0  0  0  0999 V2000
   -0.4375   -2.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1500   -1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4375    1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1500    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1500    0.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1500   -1.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4375    0.1625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8708    0.1625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4375    2.6458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792   -1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4375   -3.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4375   -0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8708   -0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8708   -2.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917   -2.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792    3.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792   -3.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7042    3.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917   -3.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792   -1.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4167    4.2792    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917    2.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792    3.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917    4.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7042    3.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792   -4.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917   -4.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  8  2  0  0  0  0
  6  2  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9  3  1  0  0  0  0
 10  1  2  0  0  0  0
 11  3  2  0  0  0  0
 12  1  1  0  0  0  0
 13  6  1  0  0  0  0
 14  6  2  0  0  0  0
 15  2  2  0  0  0  0
 16 10  1  0  0  0  0
 17  9  1  0  0  0  0
 18 12  2  0  0  0  0
 19 25  2  0  0  0  0
 20 18  1  0  0  0  0
 21 10  1  0  0  0  0
 22 19  1  0  0  0  0
 23 17  1  0  0  0  0
 24 17  2  0  0  0  0
 25 24  1  0  0  0  0
 26 23  2  0  0  0  0
 27 18  1  0  0  0  0
 28 27  1  0  0  0  0
 16 20  2  0  0  0  0
  5  7  1  0  0  0  0
 19 26  1  0  0  0  0
M  END
>  <Mol_ID> (2,297)
2297

>  <Formula> (2,297)
C19H16FN5O3

>  <MolWeight> (2,297)
381.3604432

>  <COMPOUND_NAME> (2,297)
WAY-645655

>  <BAR_CODE_NO> (2,297)
90480248

$$$$
WAY-645673
csChFnd80/06171916322D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.1648    0.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3227   -0.3061    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3227    1.0273    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9898    0.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1060   -0.0519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1060    0.7731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4731    1.0273    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0685   -1.0894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2565   -0.0519    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2565    0.7731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4731   -0.3061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7398   -1.2644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9940   -2.0477    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2940   -0.6477    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8227   -0.4644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8227    1.1856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5352   -0.0519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5352    0.7731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8  2  1  0  0  0  0
  9 11  1  0  0  0  0
 10  7  2  0  0  0  0
 11  4  2  0  0  0  0
 12  8  1  0  0  0  0
 13 12  2  0  0  0  0
 14 12  1  0  0  0  0
 15  5  1  0  0  0  0
 16  6  1  0  0  0  0
 17 15  2  0  0  0  0
 18 16  2  0  0  0  0
  5  6  2  0  0  0  0
 10  9  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (2,298)
2298

>  <Formula> (2,298)
C12H9N3O2S

>  <MolWeight> (2,298)
259.28376

>  <COMPOUND_NAME> (2,298)
WAY-645673

>  <BAR_CODE_NO> (2,298)
90480267

$$$$
WAY-645700
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
    1.7125   -0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250   -0.0042    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.4333   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7125   -1.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792   -0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333    0.8208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250   -1.6542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5750    1.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250   -2.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8625    0.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1417   -0.4167    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.5750    2.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    0.8208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3583    0.9750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458    1.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8375   -3.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042   -3.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3583    2.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8458    1.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458   -0.4167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917   -1.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792   -1.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8625    2.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458    2.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  6  1  0  0  0  0
  4  1  2  0  0  0  0
  5  1  1  0  0  0  0
  6  5  2  0  0  0  0
  7  3  1  0  0  0  0
  8  4  1  0  0  0  0
  9 11  1  0  0  0  0
 10  8  1  0  0  0  0
 11 16  2  0  0  0  0
 12  2  1  0  0  0  0
 13 24  1  0  0  0  0
 14  2  2  0  0  0  0
 15  9  1  0  0  0  0
 16  7  1  0  0  0  0
 17 10  1  0  0  0  0
 18 10  1  0  0  0  0
 19 13  1  0  0  0  0
 20 15  1  0  0  0  0
 21  3  2  0  0  0  0
 22  4  1  0  0  0  0
 23  6  1  0  0  0  0
 24 25  2  0  0  0  0
 25 16  1  0  0  0  0
 23 22  2  0  0  0  0
 17 18  1  0  0  0  0
 13  9  2  0  0  0  0
 20 19  1  0  0  0  0
M  END
>  <Mol_ID> (2,299)
2299

>  <Formula> (2,299)
C17H15N3O5

>  <MolWeight> (2,299)
341.3181

>  <COMPOUND_NAME> (2,299)
WAY-645700

>  <BAR_CODE_NO> (2,299)
90480294

$$$$
WAY-645731
csChFnd80/06171916322D

 27 31  0  0  0  0  0  0  0  0999 V2000
    2.3167   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6333   -0.5792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6333    1.0708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000   -0.1417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042   -0.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5792   -0.6417    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.0000   -0.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2625   -0.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667    0.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7875    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7417   -0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1792    1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3500   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2083   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3500    0.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2250   -1.4167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6875    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4917    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8292    0.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208    0.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0625   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542   -1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0625    1.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7833   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7833    0.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 16  2  0  0  0  0
  3 22  2  0  0  0  0
  4  6  1  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  1  1  0  0  0  0
  8  1  1  0  0  0  0
  9  1  1  0  0  0  0
 10  5  1  0  0  0  0
 11  8  1  0  0  0  0
 12  7  1  0  0  0  0
 13  9  1  0  0  0  0
 14  2  1  0  0  0  0
 15 10  2  0  0  0  0
 16 15  1  0  0  0  0
 17  3  1  0  0  0  0
 18  5  2  0  0  0  0
 19 11  1  0  0  0  0
 20 13  1  0  0  0  0
 21 13  1  0  0  0  0
 22 16  1  0  0  0  0
 23 14  1  0  0  0  0
 24  6  1  0  0  0  0
 25 17  1  0  0  0  0
 26 23  2  0  0  0  0
 27 25  2  0  0  0  0
 21 12  1  0  0  0  0
 11 20  1  0  0  0  0
 19 12  1  0  0  0  0
 17 14  2  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (2,300)
2300

>  <Formula> (2,300)
C23H27N3O

>  <MolWeight> (2,300)
361.47998

>  <COMPOUND_NAME> (2,300)
WAY-645731

>  <BAR_CODE_NO> (2,300)
90480325

$$$$
WAY-645786
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
    0.5292   -0.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2417   -1.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292    0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2417   -2.0125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292   -2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1375    0.5333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2000    0.5333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9417    1.3208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167    1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833   -1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833   -2.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708    1.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1875    1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6708    2.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292   -3.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3375    3.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333    2.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208    3.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9542   -2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9000   -0.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9000   -2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4958    2.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8208    3.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6750   -2.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6125   -1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6125   -2.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3875   -2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5 11  1  0  0  0  0
  6  3  1  0  0  0  0
  7  3  2  0  0  0  0
  8  7  1  0  0  0  0
  9  6  1  0  0  0  0
 10  1  1  0  0  0  0
 11 10  2  0  0  0  0
 12  9  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15  5  2  0  0  0  0
 16 18  1  0  0  0  0
 17 12  1  0  0  0  0
 18 17  2  0  0  0  0
 19  4  1  0  0  0  0
 20 10  1  0  0  0  0
 21 11  1  0  0  0  0
 22 14  1  0  0  0  0
 23 16  1  0  0  0  0
 24 19  1  0  0  0  0
 25 20  2  0  0  0  0
 26 25  1  0  0  0  0
 27 24  1  0  0  0  0
  5  4  1  0  0  0  0
  9  8  2  0  0  0  0
 26 21  2  0  0  0  0
 16 14  2  0  0  0  0
M  END
>  <Mol_ID> (2,301)
2301

>  <Formula> (2,301)
C21H20N4O2

>  <MolWeight> (2,301)
360.4091

>  <COMPOUND_NAME> (2,301)
WAY-645786

>  <BAR_CODE_NO> (2,301)
90480381

$$$$
WAY-645789
csChFnd80/06171916322D

 12 13  0  0  0  0  0  0  0  0999 V2000
    0.0125    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7708    0.6958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667   -0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7708    1.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208   -1.0125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0125    1.7750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917    1.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0542   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667   -1.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0542   -1.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4375    2.0083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0125   -2.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  7  1  0  0  0  0
  7  1  2  0  0  0  0
  8  3  2  0  0  0  0
  9  5  1  0  0  0  0
 10  8  1  0  0  0  0
 11  4  1  0  0  0  0
 12  9  1  0  0  0  0
  4  6  1  0  0  0  0
 10  9  2  0  0  0  0
M  END
>  <Mol_ID> (2,302)
2302

>  <Formula> (2,302)
C8H8N2S2

>  <MolWeight> (2,302)
196.29252

>  <COMPOUND_NAME> (2,302)
WAY-645789

>  <BAR_CODE_NO> (2,302)
90480384

$$$$
WAY-645791
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    0.0792   -1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3500   -0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667   -1.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667    0.0333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333   -1.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333    0.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458   -1.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1750   -0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0625    1.0125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0625    0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5875   -1.3542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333   -2.2875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.1167   -2.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5875    0.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458    1.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7750    1.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4125    0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7750    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8250    0.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0625    2.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  4  2  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  6  2  0  0  0  0
  9  8  1  0  0  0  0
 10  3  1  0  0  0  0
 11 12  1  0  0  0  0
 12  9  1  0  0  0  0
 13 10  2  0  0  0  0
 14  6  1  0  0  0  0
 15  4  1  0  0  0  0
 16 10  1  0  0  0  0
 17 11  1  0  0  0  0
 18 11  1  0  0  0  0
 19 16  1  0  0  0  0
 20 18  1  0  0  0  0
 21 17  1  0  0  0  0
 22 19  1  0  0  0  0
 23 20  1  0  0  0  0
  5  3  1  0  0  0  0
  9  7  2  0  0  0  0
 23 21  1  0  0  0  0
M  END
>  <Mol_ID> (2,303)
2303

>  <Formula> (2,303)
C16H20ClN3O2S

>  <MolWeight> (2,303)
353.8669

>  <COMPOUND_NAME> (2,303)
WAY-645791

>  <BAR_CODE_NO> (2,303)
90480386

$$$$
WAY-645792
csChFnd80/06171916322D

 15 16  0  0  1  0  0  0  0  0999 V2000
    0.4000   -0.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4250   -0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8875   -0.7167    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8375    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6583    0.7583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8375   -0.7625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000    1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1792   -2.1125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8333    1.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1125    1.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8875    0.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1750   -1.6667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6667   -0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6667    0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  3  5  1  1  0  0  0
  6  4  1  0  0  0  0
  7  2  2  0  0  0  0
  8  4  2  0  0  0  0
  9  5  2  0  0  0  0
 10  6  1  0  0  0  0
 11  8  1  0  0  0  0
 12  1  1  0  0  0  0
 13  5  1  0  0  0  0
 14  3  1  0  0  0  0
 15 12  1  0  0  0  0
 15 14  1  0  0  0  0
 10 11  2  0  0  0  0
M  END
>  <Mol_ID> (2,304)
2304

>  <Formula> (2,304)
C10H11NO4

>  <MolWeight> (2,304)
209.19864

>  <COMPOUND_NAME> (2,304)
WAY-645792

>  <BAR_CODE_NO> (2,304)
90480387

$$$$
WAY-645854
csChFnd80/06171916322D

 29 31  0  0  0  0  0  0  0  0999 V2000
    0.0250    2.9833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167   -2.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4625    2.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333    0.8583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0250    1.6458    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.3625   -1.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6625   -3.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7167   -2.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   -3.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0125    3.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4500    3.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8042    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6167   -1.1542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8042    2.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0375    0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667   -0.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458   -2.1042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1292    0.4208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167   -3.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458   -3.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2750   -2.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5875    1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5667   -4.3917    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.3958    1.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3333    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8875    2.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9500    1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6958    2.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  6  1  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5  3  1  0  0  0  0
  6 14  1  0  0  0  0
  7  2  2  0  0  0  0
  8  4  1  0  0  0  0
  9  2  1  0  0  0  0
 10  7  1  0  0  0  0
 11  1  2  0  0  0  0
 12  1  2  0  0  0  0
 13 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15  1  1  0  0  0  0
 16  4  1  0  0  0  0
 17  8  1  0  0  0  0
 18  6  2  0  0  0  0
 19  8  2  0  0  0  0
 20 22  1  0  0  0  0
 21  7  1  0  0  0  0
 22  9  2  0  0  0  0
 23 16  1  0  0  0  0
 24 20  1  0  0  0  0
 25 23  2  0  0  0  0
 26 23  1  0  0  0  0
 27 26  2  0  0  0  0
 28 25  1  0  0  0  0
 29 27  1  0  0  0  0
 13  5  1  0  0  0  0
 29 28  2  0  0  0  0
 20 10  2  0  0  0  0
M  END
>  <Mol_ID> (2,305)
2305

>  <Formula> (2,305)
C20H20ClNO6S

>  <MolWeight> (2,305)
437.8939

>  <COMPOUND_NAME> (2,305)
WAY-645854

>  <BAR_CODE_NO> (2,305)
90480450

$$$$
WAY-645855
csChFnd80/06171916322D

 29 34  0  0  0  0  0  0  0  0999 V2000
   -2.2125    0.5333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2125   -0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -0.7042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1417   -0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9958   -0.5417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833    0.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9958    0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833   -0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5417   -0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3000   -0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4833    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6667   -0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9167    0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6792   -1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6042    0.7833    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.4667   -0.8667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.4958    1.7708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292   -0.2750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3250    0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1292   -0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2000   -1.6167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7167   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0750   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0500   -1.0917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3333    1.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3000    0.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1583    1.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6458    0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5 11  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  1  1  0  0  0  0
  9  7  2  0  0  0  0
 10 13  1  0  0  0  0
 11 19  1  0  0  0  0
 12  8  2  0  0  0  0
 13  5  1  0  0  0  0
 14  5  1  0  0  0  0
 15  5  1  0  0  0  0
 16 14  1  0  0  0  0
 17 15  1  0  0  0  0
 18  3  2  0  0  0  0
 19 24  1  0  0  0  0
 20 16  1  0  0  0  0
 21 17  1  0  0  0  0
 22 11  2  0  0  0  0
 23 17  1  0  0  0  0
 24  9  1  0  0  0  0
 25 10  1  0  0  0  0
 26  8  1  0  0  0  0
 27 12  1  0  0  0  0
 28 26  2  0  0  0  0
 29 28  1  0  0  0  0
  6 12  1  0  0  0  0
  9  4  1  0  0  0  0
 29 27  2  0  0  0  0
 23 16  1  0  0  0  0
 21 10  1  0  0  0  0
 20 10  1  0  0  0  0
M  END
>  <Mol_ID> (2,306)
2306

>  <Formula> (2,306)
C22H22N2O4S

>  <MolWeight> (2,306)
410.48608

>  <COMPOUND_NAME> (2,306)
WAY-645855

>  <BAR_CODE_NO> (2,306)
90480451

$$$$
WAY-645869
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -0.0500   -1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208   -1.8917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0500   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6167   -1.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6667   -0.1667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4625   -2.6750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6667    0.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0500    1.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3625   -2.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7625   -0.1667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7625    2.3083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0500    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3792    1.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7625    0.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3792    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8500   -3.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4833    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6667    2.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4833    1.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  2  0  0  0  0
  9  4  2  0  0  0  0
 10  3  2  0  0  0  0
 11 12  1  0  0  0  0
 12  8  1  0  0  0  0
 13  7  1  0  0  0  0
 14  8  1  0  0  0  0
 15 13  2  0  0  0  0
 16  9  1  0  0  0  0
 17 19  1  0  0  0  0
 18 15  1  0  0  0  0
 19 14  2  0  0  0  0
  6  9  1  0  0  0  0
 18 12  2  0  0  0  0
 17 11  2  0  0  0  0
M  END
>  <Mol_ID> (2,307)
2307

>  <Formula> (2,307)
C14H11N3O2

>  <MolWeight> (2,307)
253.25604

>  <COMPOUND_NAME> (2,307)
WAY-645869

>  <BAR_CODE_NO> (2,307)
90480466

$$$$
WAY-645876
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
   -3.0583   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3125    0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3292    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9000    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2375   -0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6167   -0.1792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4750    0.2333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6375   -0.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7458    0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9958   -0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0083   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3292    1.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5333   -1.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4875   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9125   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1875   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0417   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458    0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3875    1.1208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458   -1.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9000    1.0583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4208   -0.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2333   -0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833   -1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7542    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0417    1.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7542    1.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0417    2.2958    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.0417   -1.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667    1.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7542   -1.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  6  1  0  0  0  0
  4 16  1  0  0  0  0
  5 18  1  0  0  0  0
  6  4  1  0  0  0  0
  7  5  1  0  0  0  0
  8  2  1  0  0  0  0
  9  1  1  0  0  0  0
 10  1  1  0  0  0  0
 11  1  1  0  0  0  0
 12  3  1  0  0  0  0
 13 10  1  0  0  0  0
 14  9  1  0  0  0  0
 15 11  1  0  0  0  0
 16  7  1  0  0  0  0
 17  3  2  0  0  0  0
 18  8  1  0  0  0  0
 19  2  2  0  0  0  0
 20  5  2  0  0  0  0
 21  4  2  0  0  0  0
 22 13  1  0  0  0  0
 23 15  1  0  0  0  0
 24 15  1  0  0  0  0
 25 17  1  0  0  0  0
 26 12  2  0  0  0  0
 27 25  2  0  0  0  0
 28 26  1  0  0  0  0
 29 17  1  0  0  0  0
 30  7  1  0  0  0  0
 31 29  1  0  0  0  0
 24 14  1  0  0  0  0
 13 23  1  0  0  0  0
 22 14  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (2,308)
2308

>  <Formula> (2,308)
C23H30ClN3O4

>  <MolWeight> (2,308)
447.955

>  <COMPOUND_NAME> (2,308)
WAY-645876

>  <BAR_CODE_NO> (2,308)
90480473

$$$$
WAY-645926
csChFnd80/06171916322D

 27 28  0  0  0  0  0  0  0  0999 V2000
   -0.5708   -1.8167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083   -1.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9250   -1.3750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708   -1.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8625   -0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6708   -0.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5167    2.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3000    3.3583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5167    3.6125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2625    1.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292    2.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3000    2.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083    0.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0125   -2.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6333   -2.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2208    0.0208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542    1.3208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917   -0.8625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000    0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8125    0.8833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1583    0.9833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7333   -1.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042    2.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708   -3.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9667    2.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0750   -3.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792   -3.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  2  0  0  0  0
  6  3  1  0  0  0  0
  7 10  1  0  0  0  0
  8 12  2  0  0  0  0
  9 11  1  0  0  0  0
 10 17  1  0  0  0  0
 11  7  2  0  0  0  0
 12  7  1  0  0  0  0
 13  5  1  0  0  0  0
 14  1  1  0  0  0  0
 15  4  2  0  0  0  0
 16  6  2  0  0  0  0
 17 19  1  0  0  0  0
 18  2  1  0  0  0  0
 19 13  1  0  0  0  0
 20 10  2  0  0  0  0
 21 13  2  0  0  0  0
 22  3  1  0  0  0  0
 23 11  1  0  0  0  0
 24 14  1  0  0  0  0
 25 12  1  0  0  0  0
 26 24  1  0  0  0  0
 27 24  1  0  0  0  0
  6  5  1  0  0  0  0
  9  8  1  0  0  0  0
M  END
>  <Mol_ID> (2,309)
2309

>  <Formula> (2,309)
C17H22N4O6

>  <MolWeight> (2,309)
378.37978

>  <COMPOUND_NAME> (2,309)
WAY-645926

>  <BAR_CODE_NO> (2,309)
90480523

$$$$
WAY-645929
csChFnd80/06171916322D

 23 24  0  0  0  0  0  0  0  0999 V2000
    2.4250   -1.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6917   -1.9917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6917   -1.1667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000   -1.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9125   -0.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9125   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0500   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1875   -0.8667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1875   -2.2917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3625    0.5625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8750   -0.1542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3625   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3500    2.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5250    1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7625    3.4208    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.5250    2.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7625    1.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1125    1.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3500    1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2875    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6542   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6542   -3.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1125    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  6  2  0  0  0  0
  3  5  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  1  0  0  0  0
  7 12  1  0  0  0  0
  8  4  1  0  0  0  0
  9  4  2  0  0  0  0
 10  7  2  0  0  0  0
 11  7  1  0  0  0  0
 12  8  1  0  0  0  0
 13 17  2  0  0  0  0
 14 23  1  0  0  0  0
 15 13  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 14  1  0  0  0  0
 19 14  2  0  0  0  0
 20 11  1  0  0  0  0
 21  5  1  0  0  0  0
 22  6  1  0  0  0  0
 23 20  1  0  0  0  0
  3  2  1  0  0  0  0
 13 16  1  0  0  0  0
M  END
>  <Mol_ID> (2,310)
2310

>  <Formula> (2,310)
C16H17ClN2O4

>  <MolWeight> (2,310)
336.77018

>  <COMPOUND_NAME> (2,310)
WAY-645929

>  <BAR_CODE_NO> (2,310)
90480526

$$$$
WAY-645933
csChFnd80/06171916322D

 22 23  0  0  0  0  0  0  0  0999 V2000
    1.5750    1.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542    2.2583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5750    2.5083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167    0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0875    1.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542    1.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5500   -0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6125   -1.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8083   -1.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5125    0.2208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8708   -2.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083   -0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542   -0.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8667   -0.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1625   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208   -3.0917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083   -0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458    0.6583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2625    1.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0250    0.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6750   -2.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4000    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  6  2  0  0  0  0
  3  5  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  1  0  0  0  0
  7 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9  7  1  0  0  0  0
 10  4  1  0  0  0  0
 11  8  1  0  0  0  0
 12  7  2  0  0  0  0
 13 10  1  0  0  0  0
 14  4  2  0  0  0  0
 15 17  2  0  0  0  0
 16 11  2  0  0  0  0
 17 12  1  0  0  0  0
 18 12  1  0  0  0  0
 19  5  1  0  0  0  0
 20  6  1  0  0  0  0
 21 11  1  0  0  0  0
 22 18  1  0  0  0  0
  3  2  1  0  0  0  0
  8 15  1  0  0  0  0
M  END
>  <Mol_ID> (2,311)
2311

>  <Formula> (2,311)
C16H17NO5

>  <MolWeight> (2,311)
303.30988

>  <COMPOUND_NAME> (2,311)
WAY-645933

>  <BAR_CODE_NO> (2,311)
90480530

$$$$
WAY-645966
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
    1.2542   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542    0.5958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417   -0.6417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1750    0.5958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1750   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9667   -0.6417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3208   -0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6792   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6083   -0.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3208   -1.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0333   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4000   -0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417    1.8333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8875   -0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6792    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4000   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7458   -0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0333    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1125   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4000    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4583   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1125    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7458    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4583    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  6  2  0  0  0  0
  5  2  2  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8 10  1  0  0  0  0
  9  7  1  0  0  0  0
 10 15  1  0  0  0  0
 11  8  2  0  0  0  0
 12  8  1  0  0  0  0
 13  9  2  0  0  0  0
 14  5  1  0  0  0  0
 15  6  1  0  0  0  0
 16  9  1  0  0  0  0
 17 13  1  0  0  0  0
 18 12  2  0  0  0  0
 19 12  1  0  0  0  0
 20 13  1  0  0  0  0
 21 16  2  0  0  0  0
 22 18  1  0  0  0  0
 23 21  1  0  0  0  0
 24 19  2  0  0  0  0
 25 24  1  0  0  0  0
  4  5  1  0  0  0  0
 23 20  2  0  0  0  0
 25 22  2  0  0  0  0
M  END
>  <Mol_ID> (2,312)
2312

>  <Formula> (2,312)
C18H17N5O2

>  <MolWeight> (2,312)
335.35988

>  <COMPOUND_NAME> (2,312)
WAY-645966

>  <BAR_CODE_NO> (2,312)
90480563

$$$$
WAY-645967
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
    1.2542   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542    0.5958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417   -0.6417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1750    0.5958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1750   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9667   -0.6417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3208   -0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6792   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6083   -0.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3208   -1.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4000   -0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417    1.8333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8875   -0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0333   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6792    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4000   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1125   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7458   -0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0333    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4000    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1125    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7458    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4583   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4583    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  6  2  0  0  0  0
  5  2  2  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8 10  1  0  0  0  0
  9  7  1  0  0  0  0
 10 14  1  0  0  0  0
 11  8  2  0  0  0  0
 12  9  2  0  0  0  0
 13  5  1  0  0  0  0
 14  6  1  0  0  0  0
 15  8  1  0  0  0  0
 16  9  1  0  0  0  0
 17 12  1  0  0  0  0
 18 12  1  0  0  0  0
 19 15  1  0  0  0  0
 20 15  1  0  0  0  0
 21 16  2  0  0  0  0
 22 21  1  0  0  0  0
 23 20  1  0  0  0  0
 24 19  1  0  0  0  0
 25 23  1  0  0  0  0
  4  5  1  0  0  0  0
 22 18  2  0  0  0  0
 25 24  1  0  0  0  0
M  END
>  <Mol_ID> (2,313)
2313

>  <Formula> (2,313)
C18H23N5O2

>  <MolWeight> (2,313)
341.40752

>  <COMPOUND_NAME> (2,313)
WAY-645967

>  <BAR_CODE_NO> (2,313)
90480564

$$$$
WAY-645970
csChFnd80/06171916322D

 19 20  0  0  0  0  0  0  0  0999 V2000
    0.4167   -1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0750    2.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4083    3.1083    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958   -1.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542    2.6875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6458   -2.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6667   -0.3667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667   -1.7625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542    3.5208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0750    3.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0958   -2.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833    1.6458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125   -2.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6875    0.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458   -0.7042    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.3667    1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3500   -3.5042    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.4583   -2.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 13  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  2  0  0  0  0
  6  4  2  0  0  0  0
  7  1  1  0  0  0  0
  8  1  2  0  0  0  0
  9  5  1  0  0  0  0
 10  3  1  0  0  0  0
 11  7  1  0  0  0  0
 12 14  2  0  0  0  0
 13 17  1  0  0  0  0
 14  8  1  0  0  0  0
 15 11  2  0  0  0  0
 16  4  1  0  0  0  0
 17 11  1  0  0  0  0
 18 12  1  0  0  0  0
 19  6  1  0  0  0  0
 12  6  1  0  0  0  0
 10  9  2  0  0  0  0
M  END
>  <Mol_ID> (2,314)
2314

>  <Formula> (2,314)
C10H8Cl2N4OS2

>  <MolWeight> (2,314)
335.23272

>  <COMPOUND_NAME> (2,314)
WAY-645970

>  <BAR_CODE_NO> (2,314)
90480567

$$$$
WAY-645989
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
    0.1042   -1.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9125   -1.0750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4500   -0.6292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6125    0.3208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667   -0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7875    2.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958    0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708    3.6125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0458    2.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1500   -2.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000   -2.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083    3.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7875    4.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958    1.5458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083    4.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8500    1.9875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1417   -3.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9667   -0.1167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458    0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0958    3.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6625   -3.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6917   -4.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542   -3.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5042   -3.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  7  2  0  0  0  0
  5  2  2  0  0  0  0
  6  9  1  0  0  0  0
  7  3  1  0  0  0  0
  8  6  1  0  0  0  0
  9 14  1  0  0  0  0
 10  1  1  0  0  0  0
 11 10  1  0  0  0  0
 12  6  2  0  0  0  0
 13  8  1  0  0  0  0
 14 19  1  0  0  0  0
 15 12  1  0  0  0  0
 16  9  2  0  0  0  0
 17 11  2  0  0  0  0
 18  5  1  0  0  0  0
 19  7  1  0  0  0  0
 20  8  1  0  0  0  0
 21 11  1  0  0  0  0
 22 17  1  0  0  0  0
 23 17  1  0  0  0  0
 24 21  2  0  0  0  0
 25 24  1  0  0  0  0
  4  5  1  0  0  0  0
 25 23  2  0  0  0  0
 13 15  2  0  0  0  0
M  END
>  <Mol_ID> (2,315)
2315

>  <Formula> (2,315)
C17H18N6O2

>  <MolWeight> (2,315)
338.36382

>  <COMPOUND_NAME> (2,315)
WAY-645989

>  <BAR_CODE_NO> (2,315)
90480586

$$$$
WAY-646006
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -0.8458    2.4208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5875    1.6333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958    3.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208   -2.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1792   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833    0.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6667   -2.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6667   -3.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208   -3.4542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083   -2.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750   -1.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8833    3.4583    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583    2.6708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6250    2.1625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167    1.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1375    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3792   -1.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6125    3.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4750    0.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3792   -3.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792   -0.8917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8833    4.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958    4.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0917   -2.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0917   -3.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8042   -3.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  1  0  0  0  0
  6 18  1  0  0  0  0
  7  4  1  0  0  0  0
  8  7  2  0  0  0  0
  9 10  1  0  0  0  0
 10  4  2  0  0  0  0
 11  5  1  0  0  0  0
 12  3  1  0  0  0  0
 13  1  2  0  0  0  0
 14  1  2  0  0  0  0
 15  2  1  0  0  0  0
 16  2  1  0  0  0  0
 17  7  1  0  0  0  0
 18 16  1  0  0  0  0
 19  3  2  0  0  0  0
 20 15  1  0  0  0  0
 21  8  1  0  0  0  0
 22  5  2  0  0  0  0
 23 12  1  0  0  0  0
 24 19  1  0  0  0  0
 25 17  2  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 23 24  2  0  0  0  0
 20  6  1  0  0  0  0
  8  9  1  0  0  0  0
 26 21  2  0  0  0  0
M  END
>  <Mol_ID> (2,316)
2316

>  <Formula> (2,316)
C19H20N2O4S2

>  <MolWeight> (2,316)
404.5031

>  <COMPOUND_NAME> (2,316)
WAY-646006

>  <BAR_CODE_NO> (2,316)
90480603

$$$$
WAY-646031
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -2.0250    1.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8083    1.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8083    2.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0250    2.9458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458    2.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542   -1.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9625    0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5792   -1.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7708    0.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1625   -1.2625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7083   -0.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5250    1.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8375   -2.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2500   -1.2917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000   -0.3042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.6625   -2.5625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9167   -1.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5250    3.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7750   -1.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000   -1.7042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    1.2625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2792   -3.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2167   -2.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167   -2.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2375    1.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2375    2.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4792   -3.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6500    0.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9583    3.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  5  1  0  0  0  0
  5  1  2  0  0  0  0
  6 15  1  0  0  0  0
  7  9  1  0  0  0  0
  8 19  1  0  0  0  0
  9  1  1  0  0  0  0
 10  6  1  0  0  0  0
 11  7  1  0  0  0  0
 12  2  1  0  0  0  0
 13 22  1  0  0  0  0
 14  8  1  0  0  0  0
 15 11  1  0  0  0  0
 16 13  1  0  0  0  0
 17 14  1  0  0  0  0
 18  3  1  0  0  0  0
 19 23  2  0  0  0  0
 20  6  2  0  0  0  0
 21  7  2  0  0  0  0
 22 27  2  0  0  0  0
 23 24  1  0  0  0  0
 24 10  1  0  0  0  0
 25 12  2  0  0  0  0
 26 25  1  0  0  0  0
 27 23  1  0  0  0  0
 28 15  1  0  0  0  0
 29 26  1  0  0  0  0
  3  4  1  0  0  0  0
 26 18  2  0  0  0  0
 13  8  2  0  0  0  0
 17 16  1  0  0  0  0
M  END
>  <Mol_ID> (2,317)
2317

>  <Formula> (2,317)
C22H21NO6

>  <MolWeight> (2,317)
395.40524

>  <COMPOUND_NAME> (2,317)
WAY-646031

>  <BAR_CODE_NO> (2,317)
90480628

$$$$
WAY-646041
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
    0.6750    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0375   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6750    1.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583    0.2458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542    1.3208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0375    1.4833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9417    0.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583    1.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0375   -0.9917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0375   -3.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4708    2.3083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4708    1.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6750   -1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583   -1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0375   -2.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6750   -3.8792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6750   -2.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583   -2.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583   -3.8792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7167   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7667    0.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000    2.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1375    2.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8833    3.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0583    3.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  6  2  0  0  0  0
  9  7  2  0  0  0  0
 10  2  1  0  0  0  0
 11 16  1  0  0  0  0
 12 13  1  0  0  0  0
 13  9  1  0  0  0  0
 14 10  1  0  0  0  0
 15 10  1  0  0  0  0
 16 19  1  0  0  0  0
 17 11  2  0  0  0  0
 18 14  1  0  0  0  0
 19 15  1  0  0  0  0
 20 11  1  0  0  0  0
 21  6  1  0  0  0  0
 22  8  1  0  0  0  0
 23 12  1  0  0  0  0
 24 12  1  0  0  0  0
 25 24  1  0  0  0  0
 26 23  1  0  0  0  0
  5  8  1  0  0  0  0
  4  9  1  0  0  0  0
 16 18  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (2,318)
2318

>  <Formula> (2,318)
C19H27N5OS

>  <MolWeight> (2,318)
373.51558

>  <COMPOUND_NAME> (2,318)
WAY-646041

>  <BAR_CODE_NO> (2,318)
90480638

$$$$
WAY-646042
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -0.1655    0.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5448   -0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1621    0.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8828   -0.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2586    0.0138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5414   -1.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5483    1.2448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8793    1.2483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8828   -1.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2552    0.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1759   -1.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5966    0.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9690    1.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000    0.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6862    0.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9759    2.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3172   -0.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4000    1.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6897    2.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3172   -1.2310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4000    2.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6517   -1.7172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9897   -1.7172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9103   -2.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7379   -2.5034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  2  0  0  0  0
 17 20  1  0  0  0  0
 18 21  2  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  2  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
 19 21  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (2,319)
2319

>  <Formula> (2,319)
C20H19N5

>  <MolWeight> (2,319)
329.39836

>  <COMPOUND_NAME> (2,319)
WAY-646042

>  <BAR_CODE_NO> (2,319)
90480639

$$$$
WAY-646044
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    1.4042   -2.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2292   -3.6792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9500   -4.0917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1000    0.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2292   -2.7875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458    1.7625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458    3.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5625   -3.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6250    3.8333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542   -2.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958    2.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458    4.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458    0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083    0.8083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583    3.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583    4.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042   -1.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417   -2.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -0.4167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500   -1.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542   -0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083   -1.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0375    1.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4 13  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7 11  1  0  0  0  0
  8  5  1  0  0  0  0
  9  7  1  0  0  0  0
 10  1  1  0  0  0  0
 11  6  1  0  0  0  0
 12  9  1  0  0  0  0
 13 19  1  0  0  0  0
 14  4  2  0  0  0  0
 15  7  2  0  0  0  0
 16 15  1  0  0  0  0
 17 10  2  0  0  0  0
 18 10  1  0  0  0  0
 19 20  1  0  0  0  0
 20 22  1  0  0  0  0
 21 17  1  0  0  0  0
 22 18  2  0  0  0  0
 23  6  1  0  0  0  0
  8  3  2  0  0  0  0
 20 21  2  0  0  0  0
 12 16  2  0  0  0  0
M  END
>  <Mol_ID> (2,320)
2320

>  <Formula> (2,320)
C16H15N3O3S

>  <MolWeight> (2,320)
329.3736

>  <COMPOUND_NAME> (2,320)
WAY-646044

>  <BAR_CODE_NO> (2,320)
90480641

$$$$
WAY-646051
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    2.5167    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5250    0.3958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1917    1.1458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3417    0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042    1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9500   -1.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2667    1.6208    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.4333   -0.3667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333   -1.7042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1250   -1.0375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1125   -0.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2875   -0.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2208   -1.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2208   -0.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9375    1.1333    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.3542    2.4375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9333   -1.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1250    0.3958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9333   -0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9000   -0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7167    2.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6458   -1.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6458   -0.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3625   -1.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  5  2  0  0  0  0
  4  1  2  0  0  0  0
  5  1  1  0  0  0  0
  6 10  1  0  0  0  0
  7  1  1  0  0  0  0
  8  6  2  0  0  0  0
  9  6  1  0  0  0  0
 10 12  1  0  0  0  0
 11  2  1  0  0  0  0
 12 11  1  0  0  0  0
 13  9  1  0  0  0  0
 14  8  1  0  0  0  0
 15  7  1  0  0  0  0
 16  7  2  0  0  0  0
 17 13  1  0  0  0  0
 18 12  2  0  0  0  0
 19 14  1  0  0  0  0
 20  4  1  0  0  0  0
 21  5  1  0  0  0  0
 22 17  2  0  0  0  0
 23 19  2  0  0  0  0
 24 22  1  0  0  0  0
  2  3  1  0  0  0  0
 13 14  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (2,321)
2321

>  <Formula> (2,321)
C15H15N5O3S

>  <MolWeight> (2,321)
345.3763

>  <COMPOUND_NAME> (2,321)
WAY-646051

>  <BAR_CODE_NO> (2,321)
90480648

$$$$
WAY-646052
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
    1.5667   -1.3625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083    1.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542   -0.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9792   -2.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833    1.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958    0.8333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958    2.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292    0.7833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1833    1.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7917   -2.1625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1833    1.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2792   -0.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8500   -1.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292   -0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5667    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542    0.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6417   -2.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292    2.2083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9667   -2.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542   -3.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8958    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8958    2.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6083    1.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6083    1.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  8  1  0  0  0  0
  6  2  1  0  0  0  0
  7  2  2  0  0  0  0
  8 17  1  0  0  0  0
  9  6  1  0  0  0  0
 10  4  1  0  0  0  0
 11  7  1  0  0  0  0
 12  1  2  0  0  0  0
 13  1  2  0  0  0  0
 14  3  1  0  0  0  0
 15  3  1  0  0  0  0
 16 14  1  0  0  0  0
 17 15  1  0  0  0  0
 18  4  2  0  0  0  0
 19  5  2  0  0  0  0
 20 10  1  0  0  0  0
 21 18  1  0  0  0  0
 22  9  1  0  0  0  0
 23 11  1  0  0  0  0
 24 22  2  0  0  0  0
 25 23  2  0  0  0  0
 20 21  2  0  0  0  0
 16  8  1  0  0  0  0
  9 11  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (2,322)
2322

>  <Formula> (2,322)
C17H16N2O4S2

>  <MolWeight> (2,322)
376.44994

>  <COMPOUND_NAME> (2,322)
WAY-646052

>  <BAR_CODE_NO> (2,322)
90480649

$$$$
WAY-646055
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
   -1.0958   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5750    0.3208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5750   -1.0167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1417   -1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3583    0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3583   -0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708   -1.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667    0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1417    0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3792    1.0833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958   -1.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3792   -0.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042    1.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4417    3.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6167    1.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8542    3.9375    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.6167    3.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8542    2.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042    2.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4417    1.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958   -0.9542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0750    0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0750   -1.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1417   -2.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083   -2.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708   -0.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7875   -0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7875    0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708   -3.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958   -3.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  5  1  0  0  0  0
  9 10  1  0  0  0  0
 10  4  1  0  0  0  0
 11  9  1  0  0  0  0
 12  8  2  0  0  0  0
 13  9  2  0  0  0  0
 14 11  1  0  0  0  0
 15 19  1  0  0  0  0
 16 14  1  0  0  0  0
 17 15  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 16  2  0  0  0  0
 21 16  1  0  0  0  0
 22 12  1  0  0  0  0
 23  6  1  0  0  0  0
 24  7  1  0  0  0  0
 25  8  1  0  0  0  0
 26 12  1  0  0  0  0
 27 22  1  0  0  0  0
 28 24  2  0  0  0  0
 29 23  2  0  0  0  0
 30 25  2  0  0  0  0
 31 30  1  0  0  0  0
  7  6  2  0  0  0  0
 28 29  1  0  0  0  0
 31 26  2  0  0  0  0
 15 18  2  0  0  0  0
M  END
>  <Mol_ID> (2,323)
2323

>  <Formula> (2,323)
C25H21FN2O2S

>  <MolWeight> (2,323)
432.5098432

>  <COMPOUND_NAME> (2,323)
WAY-646055

>  <BAR_CODE_NO> (2,323)
90480652

$$$$
WAY-646058
csChFnd80/06171916322D

 27 31  0  0  0  0  0  0  0  0999 V2000
    0.5000    2.4333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417    1.6375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542    3.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708    0.0708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5708   -0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2250   -2.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667    3.8958    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042    2.1708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083    2.6875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0625   -1.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5708    1.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917    1.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2583   -3.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292   -3.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542   -3.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8208    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5417    3.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3833   -0.8417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0458   -2.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083   -2.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3917   -2.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542    4.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5417    4.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7333   -3.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958   -2.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958   -3.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4 18  1  0  0  0  0
  5  4  1  0  0  0  0
  6 10  1  0  0  0  0
  7  3  1  0  0  0  0
  8  1  2  0  0  0  0
  9  1  2  0  0  0  0
 10  5  1  0  0  0  0
 11  2  1  0  0  0  0
 12  2  1  0  0  0  0
 13 20  1  0  0  0  0
 14 22  1  0  0  0  0
 15 21  1  0  0  0  0
 16 11  1  0  0  0  0
 17  3  2  0  0  0  0
 18 12  1  0  0  0  0
 19  5  2  0  0  0  0
 20  6  1  0  0  0  0
 21  6  1  0  0  0  0
 22  6  1  0  0  0  0
 23  7  1  0  0  0  0
 24 17  1  0  0  0  0
 25 14  1  0  0  0  0
 26 15  1  0  0  0  0
 27 14  1  0  0  0  0
 23 24  2  0  0  0  0
  4 16  1  0  0  0  0
 15 27  1  0  0  0  0
 25 13  1  0  0  0  0
 26 13  1  0  0  0  0
M  END
>  <Mol_ID> (2,324)
2324

>  <Formula> (2,324)
C20H28N2O3S2

>  <MolWeight> (2,324)
408.57792

>  <COMPOUND_NAME> (2,324)
WAY-646058

>  <BAR_CODE_NO> (2,324)
90480655

$$$$
WAY-646090
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.7542    1.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5375    1.2833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542    2.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0250    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6750   -0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5375    2.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0375    1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958   -1.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0375    0.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6750   -3.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0375   -1.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6750   -0.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958   -2.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0375    2.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6750   -2.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8125    2.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8125    1.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6750    2.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6750    1.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958   -3.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1083   -2.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1083   -3.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5 12  1  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8  5  1  0  0  0  0
  9  7  1  0  0  0  0
 10 15  1  0  0  0  0
 11  5  2  0  0  0  0
 12  9  1  0  0  0  0
 13  8  1  0  0  0  0
 14  3  1  0  0  0  0
 15 13  2  0  0  0  0
 16  4  1  0  0  0  0
 17  4  1  0  0  0  0
 18 19  1  0  0  0  0
 19  7  2  0  0  0  0
 20 22  1  0  0  0  0
 21 13  1  0  0  0  0
 22 21  2  0  0  0  0
  6  4  1  0  0  0  0
 18 14  2  0  0  0  0
 20 10  2  0  0  0  0
M  END
>  <Mol_ID> (2,325)
2325

>  <Formula> (2,325)
C17H18N2O3

>  <MolWeight> (2,325)
298.33642

>  <COMPOUND_NAME> (2,325)
WAY-646090

>  <BAR_CODE_NO> (2,325)
90480687

$$$$
WAY-646092
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
    0.8792   -0.7417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000   -1.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667   -0.3292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9750    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9750    0.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000   -1.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2583    0.4958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667   -1.4542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917   -0.0250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458   -0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6875    2.1458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2583    2.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2583   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458    0.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3125   -2.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6875    0.4958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2583    2.9708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792   -2.3917    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3125   -0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3125   -3.2167    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0292   -1.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0292   -1.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6875    2.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9750    3.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5  7  1  0  0  0  0
  6  2  1  0  0  0  0
  7 14  1  0  0  0  0
  8  1  2  0  0  0  0
  9  1  2  0  0  0  0
 10  3  1  0  0  0  0
 11  3  1  0  0  0  0
 12  4  1  0  0  0  0
 13  4  2  0  0  0  0
 14 11  1  0  0  0  0
 15 10  1  0  0  0  0
 16  6  2  0  0  0  0
 17  5  2  0  0  0  0
 18 13  1  0  0  0  0
 19  6  1  0  0  0  0
 20  2  2  0  0  0  0
 21 16  1  0  0  0  0
 22 20  1  0  0  0  0
 23 22  2  0  0  0  0
 24 12  1  0  0  0  0
 25 18  1  0  0  0  0
  7 15  1  0  0  0  0
 23 16  1  0  0  0  0
 25 24  1  0  0  0  0
M  END
>  <Mol_ID> (2,326)
2326

>  <Formula> (2,326)
C15H16Cl2N2O5S

>  <MolWeight> (2,326)
407.26894

>  <COMPOUND_NAME> (2,326)
WAY-646092

>  <BAR_CODE_NO> (2,326)
90480689

$$$$
WAY-646126
csChFnd80/06171916322D

 31 35  0  0  0  0  0  0  0  0999 V2000
    0.4167   -1.2792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000   -1.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6792   -1.6917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000   -0.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6792   -0.8667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4292    2.2333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542    2.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542    1.8208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9417    2.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9417    1.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6417    0.1708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4083   -1.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6417   -2.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083    3.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6458   -0.4792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1917    0.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1625   -2.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1917   -3.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8208   -0.5667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.1292   -4.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9417   -4.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208   -3.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208   -5.0917    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8125    0.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2625    2.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4250    3.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4875    0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1000    0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958    4.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9333    3.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458    4.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6 10  2  0  0  0  0
  7  8  1  0  0  0  0
  8 10  1  0  0  0  0
  9  6  1  0  0  0  0
 10 16  1  0  0  0  0
 11  4  1  0  0  0  0
 12  1  1  0  0  0  0
 13  2  1  0  0  0  0
 14  7  1  0  0  0  0
 15 19  1  0  0  0  0
 16 11  1  0  0  0  0
 17 13  2  0  0  0  0
 18 13  1  0  0  0  0
 19 12  1  0  0  0  0
 20 21  1  0  0  0  0
 21 18  2  0  0  0  0
 22 17  1  0  0  0  0
 23 20  1  0  0  0  0
 24 15  1  0  0  0  0
 25 14  2  0  0  0  0
 26 14  1  0  0  0  0
 27 19  1  0  0  0  0
 28 27  1  0  0  0  0
 29 26  2  0  0  0  0
 30 25  1  0  0  0  0
 31 29  1  0  0  0  0
  5  3  1  0  0  0  0
 24 28  1  0  0  0  0
 20 22  2  0  0  0  0
  7  9  2  0  0  0  0
 31 30  2  0  0  0  0
M  END
>  <Mol_ID> (2,327)
2327

>  <Formula> (2,327)
C23H21FN4O2S

>  <MolWeight> (2,327)
436.5018432

>  <COMPOUND_NAME> (2,327)
WAY-646126

>  <BAR_CODE_NO> (2,327)
90480723

$$$$
WAY-646129
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -1.0333    1.7875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8292   -3.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7167   -4.1542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333    3.4375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458    2.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1292   -3.4417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333    0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3125    3.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5792   -2.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458    3.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9167   -3.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3125    2.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000   -0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3125    0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000    3.4375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458    0.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3125   -0.2750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1125   -0.2750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1125   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1125   -1.9250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000   -1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4583    1.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7542   -2.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4583    3.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3000   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1708    2.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1708    3.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 19  1  0  0  0  0
  3 11  2  0  0  0  0
  4  8  1  0  0  0  0
  5  1  1  0  0  0  0
  6  9  1  0  0  0  0
  7  1  1  0  0  0  0
  8 12  1  0  0  0  0
  9  2  2  0  0  0  0
 10  5  2  0  0  0  0
 11  2  1  0  0  0  0
 12  1  1  0  0  0  0
 13 17  1  0  0  0  0
 14  7  1  0  0  0  0
 15  8  2  0  0  0  0
 16  7  2  0  0  0  0
 17 14  1  0  0  0  0
 18 13  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 13  1  0  0  0  0
 22  5  1  0  0  0  0
 23  9  1  0  0  0  0
 24 10  1  0  0  0  0
 25 11  1  0  0  0  0
 26 22  2  0  0  0  0
 27 26  1  0  0  0  0
  4 10  1  0  0  0  0
 27 24  2  0  0  0  0
  6  3  1  0  0  0  0
M  END
>  <Mol_ID> (2,328)
2328

>  <Formula> (2,328)
C18H19N3O5S

>  <MolWeight> (2,328)
389.42556

>  <COMPOUND_NAME> (2,328)
WAY-646129

>  <BAR_CODE_NO> (2,328)
90480726

$$$$
WAY-646152
csChFnd80/06171916322D

 34 37  0  0  0  0  0  0  0  0999 V2000
    1.7000    0.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7875    0.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8708   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8708   -1.1792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0042    0.3333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5917    1.0458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4542   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5833   -1.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5833    0.0583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9875   -0.3542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3000   -1.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3000   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1583    0.0583    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667    0.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1750    1.4333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458   -0.3542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.9292    1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5833   -2.4167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667    0.8833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1583   -1.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8292    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6250   -1.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0208   -1.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0208    0.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458   -2.8292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458   -1.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417    2.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1583   -2.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7333   -1.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7333   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7792    3.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0875    2.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6000    3.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3 13  1  0  0  0  0
  4  3  1  0  0  0  0
  5  7  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  2  0  0  0  0
  8  4  1  0  0  0  0
  9  3  2  0  0  0  0
 10  1  1  0  0  0  0
 11 12  2  0  0  0  0
 12  9  1  0  0  0  0
 13 16  1  0  0  0  0
 14 10  1  0  0  0  0
 15  2  2  0  0  0  0
 16 14  1  0  0  0  0
 17  6  1  0  0  0  0
 18  8  2  0  0  0  0
 19 14  2  0  0  0  0
 20  4  1  0  0  0  0
 21  5  1  0  0  0  0
 22  7  1  0  0  0  0
 23 11  1  0  0  0  0
 24 12  1  0  0  0  0
 25 29  1  0  0  0  0
 26 16  1  0  0  0  0
 27 17  1  0  0  0  0
 28 17  2  0  0  0  0
 29 20  1  0  0  0  0
 30 31  1  0  0  0  0
 31 24  2  0  0  0  0
 32 28  1  0  0  0  0
 33 27  2  0  0  0  0
 34 32  2  0  0  0  0
  6  5  1  0  0  0  0
 34 33  1  0  0  0  0
 11  8  1  0  0  0  0
 23 30  2  0  0  0  0
M  END
>  <Mol_ID> (2,329)
2329

>  <Formula> (2,329)
C24H25N5O4S

>  <MolWeight> (2,329)
479.5514

>  <COMPOUND_NAME> (2,329)
WAY-646152

>  <BAR_CODE_NO> (2,329)
90480749

$$$$
WAY-646156
csChFnd80/06171916322D

 29 31  0  0  0  0  0  0  0  0999 V2000
    0.0542   -2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167    2.7583    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958   -1.7167    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.0375    2.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000   -3.1167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667    0.6375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167    1.4208    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.8167    0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8625   -2.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417    3.4333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5125    3.5833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458   -0.9292    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.3042    1.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3083   -1.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5375    0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167   -1.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5625   -0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6250    0.1958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3500   -3.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4125   -2.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542   -3.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958    1.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0917   -4.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8375    1.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083    0.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4500    1.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3875    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1958    2.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  1  0  0  0  0
  4  7  1  0  0  0  0
  5  1  1  0  0  0  0
  6  8  1  0  0  0  0
  7  6  1  0  0  0  0
  8 18  1  0  0  0  0
  9  1  2  0  0  0  0
 10  2  2  0  0  0  0
 11  2  2  0  0  0  0
 12  3  1  0  0  0  0
 13  7  1  0  0  0  0
 14  3  2  0  0  0  0
 15 13  1  0  0  0  0
 16  6  1  0  0  0  0
 17  9  1  0  0  0  0
 18 17  1  0  0  0  0
 19  8  2  0  0  0  0
 20  5  2  0  0  0  0
 21  9  1  0  0  0  0
 22 21  2  0  0  0  0
 23 16  1  0  0  0  0
 24 20  1  0  0  0  0
 25 23  1  0  0  0  0
 26 23  2  0  0  0  0
 27 26  1  0  0  0  0
 28 25  2  0  0  0  0
 29 27  2  0  0  0  0
 22 20  1  0  0  0  0
  2 15  1  0  0  0  0
 29 28  1  0  0  0  0
M  END
>  <Mol_ID> (2,330)
2330

>  <Formula> (2,330)
C19H21N3O6S

>  <MolWeight> (2,330)
419.45154

>  <COMPOUND_NAME> (2,330)
WAY-646156

>  <BAR_CODE_NO> (2,330)
90480753

$$$$
WAY-646160
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
    1.7167   -0.7917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7625    0.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5458    0.9333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2750    1.3458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7625    2.0208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5458    1.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083   -0.1042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5292   -0.9667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9125   -0.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7000   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458   -1.0667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8917    0.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5500   -1.6042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2625    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3625   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2625    2.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542    0.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9750    0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9750    1.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1417   -1.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0792   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7792   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458    0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8875   -0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5917   -1.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  1  0  0  0  0
  3  2  1  0  0  0  0
  4  2  2  0  0  0  0
  5  4  1  0  0  0  0
  6  3  1  0  0  0  0
  7 10  1  0  0  0  0
  8  1  1  0  0  0  0
  9  1  1  0  0  0  0
 10 23  1  0  0  0  0
 11 15  1  0  0  0  0
 12  1  2  0  0  0  0
 13  1  2  0  0  0  0
 14  3  1  0  0  0  0
 15  9  2  0  0  0  0
 16  6  1  0  0  0  0
 17  9  1  0  0  0  0
 18 14  2  0  0  0  0
 19 18  1  0  0  0  0
 20 25  1  0  0  0  0
 21  8  1  0  0  0  0
 22  8  1  0  0  0  0
 23 17  2  0  0  0  0
 24 21  1  0  0  0  0
 25 22  1  0  0  0  0
 10 11  2  0  0  0  0
 20 24  1  0  0  0  0
  6  5  2  0  0  0  0
 19 16  2  0  0  0  0
M  END
>  <Mol_ID> (2,331)
2331

>  <Formula> (2,331)
C15H15N5O3S2

>  <MolWeight> (2,331)
377.4413

>  <COMPOUND_NAME> (2,331)
WAY-646160

>  <BAR_CODE_NO> (2,331)
90480757

$$$$
WAY-646194
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -1.0875   -1.5417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0875   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8083   -1.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8083   -0.3042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5208   -1.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417    0.5208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9500    0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5208   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3625   -0.0250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0542   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750   -0.3042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042   -0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2792    1.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8083   -2.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3417   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750   -1.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1042    1.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8000    2.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2333   -1.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292    2.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4417    2.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9542    2.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2333   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2917    3.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9458   -1.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9458   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6 10  1  0  0  0  0
  7  6  2  0  0  0  0
  8  5  2  0  0  0  0
  9 12  1  0  0  0  0
 10 15  1  0  0  0  0
 11  2  1  0  0  0  0
 12 10  2  0  0  0  0
 13  7  1  0  0  0  0
 14  3  2  0  0  0  0
 15 11  1  0  0  0  0
 16  1  1  0  0  0  0
 17 13  2  0  0  0  0
 18 13  1  0  0  0  0
 19  5  1  0  0  0  0
 20 18  2  0  0  0  0
 21 17  1  0  0  0  0
 22 20  1  0  0  0  0
 23  8  1  0  0  0  0
 24 22  1  0  0  0  0
 25 19  2  0  0  0  0
 26 25  1  0  0  0  0
  8  4  1  0  0  0  0
 23 26  2  0  0  0  0
  9  7  1  0  0  0  0
 22 21  2  0  0  0  0
M  END
>  <Mol_ID> (2,332)
2332

>  <Formula> (2,332)
C20H17N3OS2

>  <MolWeight> (2,332)
379.49848

>  <COMPOUND_NAME> (2,332)
WAY-646194

>  <BAR_CODE_NO> (2,332)
90480791

$$$$
WAY-646232
csChFnd80/06171916322D

 33 37  0  0  0  0  0  0  0  0999 V2000
    1.3625   -0.7625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3625    0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667   -1.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667    0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7917   -0.7625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6417    0.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7917    0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833    0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6375    0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9250    0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708    0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4958    0.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6375    1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2125    0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3583    0.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3583    1.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833    1.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7917   -3.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9250    1.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2125    1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7917   -2.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667    1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6417    1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3625   -2.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5042    0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667   -3.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0708    0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0708    1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3625   -3.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3625    1.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7917    1.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5042    1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  5  2  0  0  0  0
  8  3  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 11 15  2  0  0  0  0
 12  6  1  0  0  0  0
 13  9  1  0  0  0  0
 14 20  1  0  0  0  0
 15 13  1  0  0  0  0
 16 10  1  0  0  0  0
 17 14  1  0  0  0  0
 18  9  2  0  0  0  0
 19 22  1  0  0  0  0
 20 21  2  0  0  0  0
 21 15  1  0  0  0  0
 22  8  2  0  0  0  0
 23  4  1  0  0  0  0
 24  6  1  0  0  0  0
 25  8  1  0  0  0  0
 26  7  1  0  0  0  0
 27 30  1  0  0  0  0
 28 16  1  0  0  0  0
 29 17  1  0  0  0  0
 30 25  2  0  0  0  0
 31 24  1  0  0  0  0
 32 23  2  0  0  0  0
 33 26  2  0  0  0  0
  4  7  1  0  0  0  0
 27 19  2  0  0  0  0
 32 33  1  0  0  0  0
 14 10  2  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (2,333)
2333

>  <Formula> (2,333)
C25H23N5O3

>  <MolWeight> (2,333)
441.48182

>  <COMPOUND_NAME> (2,333)
WAY-646232

>  <BAR_CODE_NO> (2,333)
90480829

$$$$
WAY-646260
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    0.9542   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2292   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4417    0.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292   -0.1167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4417   -0.7792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2292    0.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6542   -0.5292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9417   -0.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9417    0.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5833   -0.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292    1.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5208   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7583   -0.8292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3458   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6542    0.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9958   -0.1167    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9958   -1.5417    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.3667   -0.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5208    1.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3458    1.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7583    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8  9  1  0  0  0  0
  9  2  1  0  0  0  0
 10  7  1  0  0  0  0
 11  6  1  0  0  0  0
 12 15  1  0  0  0  0
 13  7  2  0  0  0  0
 14 10  2  0  0  0  0
 15 16  1  0  0  0  0
 16 14  1  0  0  0  0
 17 11  1  0  0  0  0
 18 12  1  0  0  0  0
 19 12  1  0  0  0  0
 20  8  1  0  0  0  0
 21 10  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
  2  6  2  0  0  0  0
 17  8  1  0  0  0  0
 23 16  2  0  0  0  0
M  END
>  <Mol_ID> (2,334)
2334

>  <Formula> (2,334)
C15H15F2N3O2S

>  <MolWeight> (2,334)
339.3603064

>  <COMPOUND_NAME> (2,334)
WAY-646260

>  <BAR_CODE_NO> (2,334)
90480861

$$$$
WAY-646320
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -0.9458    2.3125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458    0.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583    1.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7250    1.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7250    2.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792   -0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1792   -0.9292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6833    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1750   -1.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8542   -1.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4375   -1.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2417   -1.8917    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.4375    0.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5750   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4375    2.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5792   -2.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    1.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4042   -2.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    2.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  1  1  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6 11  1  0  0  0  0
  7  6  1  0  0  0  0
  8  2  1  0  0  0  0
  9  6  2  0  0  0  0
 10 13  1  0  0  0  0
 11  8  1  0  0  0  0
 12  7  1  0  0  0  0
 13 12  1  0  0  0  0
 14  4  1  0  0  0  0
 15 10  1  0  0  0  0
 16  5  1  0  0  0  0
 17 13  1  0  0  0  0
 18 20  1  0  0  0  0
 19 17  1  0  0  0  0
 20 16  2  0  0  0  0
  4  2  1  0  0  0  0
 18 14  2  0  0  0  0
 15 19  1  0  0  0  0
M  END
>  <Mol_ID> (2,335)
2335

>  <Formula> (2,335)
C16H20N2O2

>  <MolWeight> (2,335)
272.3422

>  <COMPOUND_NAME> (2,335)
WAY-646320

>  <BAR_CODE_NO> (2,335)
90480922

$$$$
WAY-646351
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.3250    0.0208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8375    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3250    1.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1042    0.2708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1042    1.0958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667   -0.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7083    0.7333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2250    1.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4958    0.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4958    1.8083    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0125    0.6833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7083    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2625   -0.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6167   -1.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4000    1.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042   -1.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667   -2.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542   -2.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958   -0.3292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9167   -2.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  1  1  0  0  0  0
  7  8  1  0  0  0  0
  8 15  1  0  0  0  0
  9  7  2  0  0  0  0
 10 12  1  0  0  0  0
 11  2  1  0  0  0  0
 12  8  2  0  0  0  0
 13  6  2  0  0  0  0
 14  6  1  0  0  0  0
 15 11  1  0  0  0  0
 16 13  1  0  0  0  0
 17 14  2  0  0  0  0
 18 17  1  0  0  0  0
 19 13  1  0  0  0  0
 20  9  1  0  0  0  0
 21 17  1  0  0  0  0
 22 19  1  0  0  0  0
  3  5  1  0  0  0  0
 18 16  2  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <Mol_ID> (2,336)
2336

>  <Formula> (2,336)
C14H15N5OS2

>  <MolWeight> (2,336)
333.4318

>  <COMPOUND_NAME> (2,336)
WAY-646351

>  <BAR_CODE_NO> (2,336)
90480953

$$$$
WAY-646391
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -1.2833    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1500    0.5625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2833    1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5625    1.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5625    0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1500    1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0625    0.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0625    1.6458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5500    0.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3208   -0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667    0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0042    2.2125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8333   -1.1417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5625   -0.6750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2917    1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667    1.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1083   -0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3208   -1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1083   -1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667   -0.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5792    1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5792   -1.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5792   -1.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2917   -0.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0042   -1.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2917   -2.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0042   -1.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  3  1  0  0  0  0
  9  7  2  0  0  0  0
 10  7  1  0  0  0  0
 11  2  1  0  0  0  0
 12 15  3  0  0  0  0
 13 10  1  0  0  0  0
 14  5  2  0  0  0  0
 15 21  1  0  0  0  0
 16  6  1  0  0  0  0
 17 10  2  0  0  0  0
 18 13  1  0  0  0  0
 19 17  1  0  0  0  0
 20 11  1  0  0  0  0
 21 16  1  0  0  0  0
 22 20  1  0  0  0  0
 23 22  1  0  0  0  0
 24 22  2  0  0  0  0
 25 24  1  0  0  0  0
 26 23  2  0  0  0  0
 27 25  2  0  0  0  0
  9  8  1  0  0  0  0
  6  4  2  0  0  0  0
 18 19  2  0  0  0  0
 27 26  1  0  0  0  0
M  END
>  <Mol_ID> (2,337)
2337

>  <Formula> (2,337)
C20H15N3OS3

>  <MolWeight> (2,337)
409.5476

>  <COMPOUND_NAME> (2,337)
WAY-646391

>  <BAR_CODE_NO> (2,337)
90480995

$$$$
WAY-646396
csChFnd80/06171916322D

 30 34  0  0  0  0  0  0  0  0999 V2000
   -1.0708    1.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9833    0.7208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208    1.8833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833    0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292    1.2708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7875    1.9583    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.4542   -2.3667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042   -2.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167   -1.2125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000   -1.7542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5000    1.5458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3125   -1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5000    3.1958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542   -0.2042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2208    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7875    2.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9167   -2.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2208    2.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792   -0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000    0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6375   -2.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9167   -3.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3500   -3.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6375   -3.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3500   -2.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0625   -3.6792    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9333    1.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9333    3.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6458    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6458    2.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
  9 12  1  0  0  0  0
 10 12  2  0  0  0  0
 11  6  1  0  0  0  0
 12 19  1  0  0  0  0
 13 16  1  0  0  0  0
 14  4  1  0  0  0  0
 15 11  1  0  0  0  0
 16  6  1  0  0  0  0
 17  8  1  0  0  0  0
 18 13  1  0  0  0  0
 19 14  1  0  0  0  0
 20  2  1  0  0  0  0
 21 17  2  0  0  0  0
 22 17  1  0  0  0  0
 23 24  1  0  0  0  0
 24 22  2  0  0  0  0
 25 21  1  0  0  0  0
 26 23  1  0  0  0  0
 27 15  1  0  0  0  0
 28 18  1  0  0  0  0
 29 27  2  0  0  0  0
 30 28  2  0  0  0  0
  5  4  2  0  0  0  0
 18 15  2  0  0  0  0
 29 30  1  0  0  0  0
  8  7  2  0  0  0  0
 23 25  2  0  0  0  0
M  END
>  <Mol_ID> (2,338)
2338

>  <Formula> (2,338)
C20H16FN5O3S

>  <MolWeight> (2,338)
425.4361432

>  <COMPOUND_NAME> (2,338)
WAY-646396

>  <BAR_CODE_NO> (2,338)
90481000

$$$$
WAY-646406
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -0.3083   -2.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958   -2.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5833   -1.8542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958   -1.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083   -1.4417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542    2.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5167    3.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9625    3.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6667    1.8750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042    1.4333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042    2.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542    3.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958    0.2083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2167    2.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3500   -3.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3500   -0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5625    0.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000    1.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1292    3.3333    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.0667    4.4917    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.9042    4.4292    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958   -3.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1583   -3.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0500    0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083    3.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.8583   -4.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4125   -4.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0500   -4.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1125   -5.6667    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  8 12  2  0  0  0  0
  9  6  1  0  0  0  0
 10 17  1  0  0  0  0
 11  6  2  0  0  0  0
 12 11  1  0  0  0  0
 13 16  1  0  0  0  0
 14  9  2  0  0  0  0
 15  2  1  0  0  0  0
 16  4  1  0  0  0  0
 17 25  1  0  0  0  0
 18 24  1  0  0  0  0
 19  7  1  0  0  0  0
 20  7  1  0  0  0  0
 21  7  1  0  0  0  0
 22 15  1  0  0  0  0
 23 15  2  0  0  0  0
 24 13  1  0  0  0  0
 25 13  1  0  0  0  0
 26 11  1  0  0  0  0
 27 28  2  0  0  0  0
 28 23  1  0  0  0  0
 29 22  2  0  0  0  0
 30 27  1  0  0  0  0
  3  4  1  0  0  0  0
 29 27  1  0  0  0  0
 10 18  1  0  0  0  0
  8 14  1  0  0  0  0
M  END
>  <Mol_ID> (2,339)
2339

>  <Formula> (2,339)
C19H16ClF4N5O

>  <MolWeight> (2,339)
441.8098528

>  <COMPOUND_NAME> (2,339)
WAY-646406

>  <BAR_CODE_NO> (2,339)
90481011

$$$$
WAY-646413
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -0.6583    1.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1083    2.4833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4083    1.0833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9542    1.5250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0625   -2.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042    0.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8500   -2.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8500   -3.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0625   -4.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208   -3.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4708    2.0458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3625   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208    2.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958   -1.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5625   -2.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5625   -4.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667   -1.4417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5250    2.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042   -0.4792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542    2.9250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2792   -2.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2792   -3.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708    3.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0833    2.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7833    3.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9917   -4.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4250    4.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2333    4.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  7  1  0  0  0  0
  5  2  1  0  0  0  0
  6 15  1  0  0  0  0
  7  3  2  0  0  0  0
  8  6  1  0  0  0  0
  9  8  2  0  0  0  0
 10 11  1  0  0  0  0
 11  6  2  0  0  0  0
 12  1  1  0  0  0  0
 13 20  1  0  0  0  0
 14 12  1  0  0  0  0
 15 13  1  0  0  0  0
 16  8  1  0  0  0  0
 17  9  1  0  0  0  0
 18 13  2  0  0  0  0
 19 14  2  0  0  0  0
 20 22  1  0  0  0  0
 21  5  1  0  0  0  0
 22  7  1  0  0  0  0
 23 16  2  0  0  0  0
 24 23  1  0  0  0  0
 25 14  1  0  0  0  0
 26 19  1  0  0  0  0
 27 19  1  0  0  0  0
 28 24  1  0  0  0  0
 29 25  2  0  0  0  0
 30 29  1  0  0  0  0
  5  4  2  0  0  0  0
 30 27  2  0  0  0  0
  9 10  1  0  0  0  0
 24 17  2  0  0  0  0
M  END
>  <Mol_ID> (2,340)
2340

>  <Formula> (2,340)
C22H21N5O3

>  <MolWeight> (2,340)
403.43384

>  <COMPOUND_NAME> (2,340)
WAY-646413

>  <BAR_CODE_NO> (2,340)
90481018

$$$$
WAY-646416
csChFnd80/06171916322D

 31 35  0  0  0  0  0  0  0  0999 V2000
   -1.6833    1.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4708    1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4708    2.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6833    2.8208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000    2.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1833    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6917   -1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6208    0.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8958    1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1833    2.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9250   -1.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8958    2.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5042   -1.3792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708   -0.2542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1792   -2.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5917   -1.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417   -0.4250    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.0042   -2.6792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2542   -1.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1167   -1.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1417   -1.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708    1.1458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6250   -3.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5625   -2.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542   -2.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8167   -3.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6833    1.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6833    2.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1708    2.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917    0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  5  1  0  0  0  0
  5  1  2  0  0  0  0
  6  2  1  0  0  0  0
  7 18  1  0  0  0  0
  8 13  1  0  0  0  0
  9  6  2  0  0  0  0
 10  3  1  0  0  0  0
 11 21  1  0  0  0  0
 12  9  1  0  0  0  0
 13  1  1  0  0  0  0
 14  7  1  0  0  0  0
 15  8  1  0  0  0  0
 16 24  1  0  0  0  0
 17 11  1  0  0  0  0
 18 15  1  0  0  0  0
 19 16  1  0  0  0  0
 20 17  1  0  0  0  0
 21 25  2  0  0  0  0
 22  7  2  0  0  0  0
 23  8  2  0  0  0  0
 24 27  2  0  0  0  0
 25 26  1  0  0  0  0
 26 14  1  0  0  0  0
 27 25  1  0  0  0  0
 28  9  1  0  0  0  0
 29 12  1  0  0  0  0
 30 28  1  0  0  0  0
 31 18  1  0  0  0  0
  3  4  1  0  0  0  0
 12 10  2  0  0  0  0
 30 29  1  0  0  0  0
 16 11  2  0  0  0  0
 20 19  1  0  0  0  0
M  END
>  <Mol_ID> (2,341)
2341

>  <Formula> (2,341)
C24H23NO6

>  <MolWeight> (2,341)
421.44252

>  <COMPOUND_NAME> (2,341)
WAY-646416

>  <BAR_CODE_NO> (2,341)
90481021

$$$$
WAY-646426
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
    0.5917    1.4208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2625   -1.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208    1.0083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5500   -2.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2625   -2.7042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5500   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9833   -2.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9833   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042    1.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5500    0.1833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2625   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208    0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8375    1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042    0.7083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1792    2.1333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8375   -1.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167    1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8375   -2.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6958   -2.7042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5500    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8375   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208   -2.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7375    1.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917   -2.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4500    1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7375    2.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4500    3.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1667    1.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1667    2.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 11  1  0  0  0  0
  3  1  1  0  0  0  0
  4  6  2  0  0  0  0
  5  7  1  0  0  0  0
  6  2  1  0  0  0  0
  7  8  1  0  0  0  0
  8  2  2  0  0  0  0
  9  1  1  0  0  0  0
 10 20  1  0  0  0  0
 11 10  1  0  0  0  0
 12  3  1  0  0  0  0
 13  3  1  0  0  0  0
 14  1  2  0  0  0  0
 15  1  2  0  0  0  0
 16  6  1  0  0  0  0
 17  9  2  0  0  0  0
 18  4  1  0  0  0  0
 19  7  2  0  0  0  0
 20 13  1  0  0  0  0
 21 12  1  0  0  0  0
 22 23  1  0  0  0  0
 23 16  2  0  0  0  0
 24 17  1  0  0  0  0
 25 22  1  0  0  0  0
 26 24  1  0  0  0  0
 27 24  2  0  0  0  0
 28 27  1  0  0  0  0
 29 26  2  0  0  0  0
 30 28  2  0  0  0  0
 21 10  1  0  0  0  0
 30 29  1  0  0  0  0
  4  5  1  0  0  0  0
 22 18  2  0  0  0  0
M  END
>  <Mol_ID> (2,342)
2342

>  <Formula> (2,342)
C23H24N2O4S

>  <MolWeight> (2,342)
424.51266

>  <COMPOUND_NAME> (2,342)
WAY-646426

>  <BAR_CODE_NO> (2,342)
90481031

$$$$
WAY-646435
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -1.9958    1.3250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9958    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7125    1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7125    0.0875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4250    1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4250    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7167   -1.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1417    0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0042   -0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7125    2.5625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2833    0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1417   -0.7375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1417   -1.9750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0042    0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2875   -1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5750    0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5708    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7125   -0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1458    1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5750   -0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2875    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1458    0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4292   -0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7167   -1.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4292   -2.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1417   -1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8583    1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8583    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  2  0  0  0  0
  7  9  1  0  0  0  0
  8 18  1  0  0  0  0
  9 15  2  0  0  0  0
 10  3  2  0  0  0  0
 11  8  1  0  0  0  0
 12  2  1  0  0  0  0
 13  8  2  0  0  0  0
 14 26  1  0  0  0  0
 15 22  1  0  0  0  0
 16 21  2  0  0  0  0
 17 11  1  0  0  0  0
 18 12  1  0  0  0  0
 19  4  1  0  0  0  0
 20  5  1  0  0  0  0
 21 17  1  0  0  0  0
 22 17  2  0  0  0  0
 23  6  1  0  0  0  0
 24  7  1  0  0  0  0
 25  7  1  0  0  0  0
 26 25  1  0  0  0  0
 27 24  1  0  0  0  0
 28 20  2  0  0  0  0
 29 28  1  0  0  0  0
  6  4  1  0  0  0  0
 29 23  2  0  0  0  0
  9 16  1  0  0  0  0
 14 27  1  0  0  0  0
M  END
>  <Mol_ID> (2,343)
2343

>  <Formula> (2,343)
C22H24N4O3

>  <MolWeight> (2,343)
392.45096

>  <COMPOUND_NAME> (2,343)
WAY-646435

>  <BAR_CODE_NO> (2,343)
90481040

$$$$
WAY-646457
csChFnd80/06171916322D

 28 32  0  0  0  0  0  0  0  0999 V2000
    2.7125    0.6208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2958   -0.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9917    0.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0750    0.4625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4250    1.0333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2958    0.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0750   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5583   -0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792   -1.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1250   -0.0917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3000    1.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667   -0.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5750   -1.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9917   -0.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8625   -0.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458   -1.0292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792    0.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5750    0.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667    0.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8625    0.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1792    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5125    1.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4125   -1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3833   -0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3167    2.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7292    1.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2333   -1.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7208   -1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 13  1  0  0  0  0
  3  1  1  0  0  0  0
  4  6  1  0  0  0  0
  5  1  1  0  0  0  0
  6 18  1  0  0  0  0
  7  2  1  0  0  0  0
  8  7  2  0  0  0  0
  9 14  1  0  0  0  0
 10  1  2  0  0  0  0
 11  1  2  0  0  0  0
 12 19  1  0  0  0  0
 13 15  2  0  0  0  0
 14  3  2  0  0  0  0
 15 16  1  0  0  0  0
 16 12  1  0  0  0  0
 17  3  1  0  0  0  0
 18 20  2  0  0  0  0
 19 17  2  0  0  0  0
 20 15  1  0  0  0  0
 21  5  1  0  0  0  0
 22  5  1  0  0  0  0
 23  7  1  0  0  0  0
 24  8  1  0  0  0  0
 25 22  1  0  0  0  0
 26 21  1  0  0  0  0
 27 23  2  0  0  0  0
 28 27  1  0  0  0  0
 25 26  1  0  0  0  0
 12  9  2  0  0  0  0
  6  2  2  0  0  0  0
  8  4  1  0  0  0  0
 28 24  2  0  0  0  0
M  END
>  <Mol_ID> (2,344)
2344

>  <Formula> (2,344)
C21H18N2O4S

>  <MolWeight> (2,344)
394.44362

>  <COMPOUND_NAME> (2,344)
WAY-646457

>  <BAR_CODE_NO> (2,344)
90481062

$$$$
WAY-646458
csChFnd80/06171916322D

 20 23  0  0  0  0  0  0  0  0999 V2000
   -0.8750   -0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6583    0.9083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8750    0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6583   -0.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1458    0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9792   -0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6917   -0.5875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9792    0.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1583   -0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667   -0.5875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542   -0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1583    1.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542    0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9958   -1.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4125    0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9625    0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6917    1.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4125   -0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8208   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3000   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6 10  1  0  0  0  0
  7  6  1  0  0  0  0
  8  6  2  0  0  0  0
  9  1  1  0  0  0  0
 10 11  1  0  0  0  0
 11  9  2  0  0  0  0
 12  3  1  0  0  0  0
 13 11  1  0  0  0  0
 14  4  1  0  0  0  0
 15 17  2  0  0  0  0
 16  5  1  0  0  0  0
 17  8  1  0  0  0  0
 18  7  2  0  0  0  0
 19 14  2  0  0  0  0
 20 19  1  0  0  0  0
  5  2  1  0  0  0  0
 12 13  2  0  0  0  0
 20 16  2  0  0  0  0
 15 18  1  0  0  0  0
M  END
>  <Mol_ID> (2,345)
2345

>  <Formula> (2,345)
C16H10N2O2

>  <MolWeight> (2,345)
262.2628

>  <COMPOUND_NAME> (2,345)
WAY-646458

>  <BAR_CODE_NO> (2,345)
90481063

$$$$
WAY-646469
csChFnd80/06171916322D

 23 24  0  0  0  0  0  0  0  0999 V2000
   -0.0583    2.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583    1.3125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7250    1.5708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458    1.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7250    2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3125    3.4333    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.3125    0.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375   -0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208   -0.8667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375    4.0417    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.1208    3.6083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0417    0.0875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5375   -1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792   -2.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708    1.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3917    2.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333   -3.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833   -4.6167    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292   -2.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5250   -2.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833   -3.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792   -3.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  5  2  0  0  0  0
  4  1  2  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  6  1  0  0  0  0
 11  6  2  0  0  0  0
 12  8  2  0  0  0  0
 13  9  1  0  0  0  0
 14 13  1  0  0  0  0
 15  4  1  0  0  0  0
 16  5  1  0  0  0  0
 17 21  1  0  0  0  0
 18 17  1  0  0  0  0
 19 14  2  0  0  0  0
 20 14  1  0  0  0  0
 21 20  2  0  0  0  0
 22 19  1  0  0  0  0
 23  9  1  0  0  0  0
  3  2  1  0  0  0  0
 17 22  2  0  0  0  0
M  END
>  <Mol_ID> (2,346)
2346

>  <Formula> (2,346)
C15H17FN4O3

>  <MolWeight> (2,346)
320.3188832

>  <COMPOUND_NAME> (2,346)
WAY-646469

>  <BAR_CODE_NO> (2,346)
90481074

$$$$
WAY-646505
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
    2.1667   -0.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3625    0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1417    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -0.0500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5667   -0.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7792   -1.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542    0.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3250    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6458   -0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9292    1.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4917   -1.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9333   -1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7167    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083   -1.1292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6458    0.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2208   -0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6667   -0.8625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3625   -1.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3292   -1.1792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3625    0.5250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8750    0.1333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1125   -1.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9333    0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2208    0.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2875    2.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    2.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3500   -0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0833   -0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0833    0.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667    0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  7  2  1  0  0  0  0
  8 23  1  0  0  0  0
  9  3  1  0  0  0  0
 10 13  1  0  0  0  0
 11  7  2  0  0  0  0
 12  1  1  0  0  0  0
 13 17  2  0  0  0  0
 14 11  1  0  0  0  0
 15  8  1  0  0  0  0
 16 24  1  0  0  0  0
 17 15  1  0  0  0  0
 18 12  1  0  0  0  0
 19 10  1  0  0  0  0
 20  5  2  0  0  0  0
 21 16  1  0  0  0  0
 22  8  2  0  0  0  0
 23 18  1  0  0  0  0
 24 25  2  0  0  0  0
 25 17  1  0  0  0  0
 26 11  1  0  0  0  0
 27 14  1  0  0  0  0
 28 18  1  0  0  0  0
 29 19  1  0  0  0  0
 30 21  1  0  0  0  0
 31 28  1  0  0  0  0
  4  3  1  0  0  0  0
 14  9  2  0  0  0  0
 16 10  2  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (2,347)
2347

>  <Formula> (2,347)
C24H26N2O5

>  <MolWeight> (2,347)
422.47364

>  <COMPOUND_NAME> (2,347)
WAY-646505

>  <BAR_CODE_NO> (2,347)
90481113

$$$$
WAY-646520
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.6042    0.8208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583   -0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542    1.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3500    0.0333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7125   -0.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1583   -1.5292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750    2.2708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083    0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833    1.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3917    0.5708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5208   -1.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6417    1.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542    2.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6417    2.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8208    0.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0708   -0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3708    0.9208    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.6417   -1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -2.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1375   -2.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2000   -1.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9417   -2.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  2  0  0  0  0
  6  5  1  0  0  0  0
  7  3  1  0  0  0  0
  8  2  1  0  0  0  0
  9  1  2  0  0  0  0
 10  1  2  0  0  0  0
 11  5  1  0  0  0  0
 12  3  2  0  0  0  0
 13  7  1  0  0  0  0
 14 12  1  0  0  0  0
 15  8  2  0  0  0  0
 16 15  1  0  0  0  0
 17 15  1  0  0  0  0
 18  6  1  0  0  0  0
 19  6  1  0  0  0  0
 20 19  1  0  0  0  0
 21 18  1  0  0  0  0
 22 20  1  0  0  0  0
 13 14  2  0  0  0  0
 11 16  2  0  0  0  0
 22 21  1  0  0  0  0
M  END
>  <Mol_ID> (2,348)
2348

>  <Formula> (2,348)
C15H17ClN2O2S2

>  <MolWeight> (2,348)
356.89068

>  <COMPOUND_NAME> (2,348)
WAY-646520

>  <BAR_CODE_NO> (2,348)
90481128

$$$$
WAY-646522
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    0.3417    1.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0542    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667    1.6708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750   -1.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3417   -0.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3417    2.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0542    2.9083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667    2.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750   -2.0417    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.0542    0.4333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0542   -1.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750    2.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3417    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0875   -2.4542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.0875    1.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0875    2.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8083    1.2583    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.3417   -2.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8083   -2.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0875   -3.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3417   -3.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750   -3.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  5  1  0  0  0  0
  5 14  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  1  1  0  0  0  0
 10  4  1  0  0  0  0
 11  2  1  0  0  0  0
 12  5  2  0  0  0  0
 13  6  1  0  0  0  0
 14 11  1  0  0  0  0
 15 10  1  0  0  0  0
 16  9  2  0  0  0  0
 17 16  1  0  0  0  0
 18 16  1  0  0  0  0
 19 10  1  0  0  0  0
 20 15  1  0  0  0  0
 21 15  1  0  0  0  0
 22 19  1  0  0  0  0
 23 22  1  0  0  0  0
 17 13  2  0  0  0  0
  8  3  2  0  0  0  0
 23 21  1  0  0  0  0
M  END
>  <Mol_ID> (2,349)
2349

>  <Formula> (2,349)
C17H20BrN3O2

>  <MolWeight> (2,349)
378.2636

>  <COMPOUND_NAME> (2,349)
WAY-646522

>  <BAR_CODE_NO> (2,349)
90481130

$$$$
WAY-646544
csChFnd80/06171916322D

 32 36  0  0  0  0  0  0  0  0999 V2000
    1.2792   -0.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6917   -1.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -1.4917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5792   -0.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8292   -0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458    0.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9250    1.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708    2.0583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333    0.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6208    1.4458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6458    2.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0708    2.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1125   -2.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3583    1.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958   -0.0250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0708    2.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8583    1.8750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8583    3.2125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3458    2.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1250   -0.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6458    2.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0250   -1.5292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3583    3.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9417   -2.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8917   -1.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3542   -2.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3375   -3.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000   -0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5042   -2.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5542   -3.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500   -3.7042    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6  9  1  0  0  0  0
  7  6  1  0  0  0  0
  8 10  1  0  0  0  0
  9 16  1  0  0  0  0
 10  9  2  0  0  0  0
 11  7  1  0  0  0  0
 12  1  1  0  0  0  0
 13 15  1  0  0  0  0
 14  3  1  0  0  0  0
 15 11  2  0  0  0  0
 16 21  1  0  0  0  0
 17 24  1  0  0  0  0
 18 13  1  0  0  0  0
 19 17  1  0  0  0  0
 20 18  1  0  0  0  0
 21 12  1  0  0  0  0
 22 11  1  0  0  0  0
 23 12  2  0  0  0  0
 24 22  2  0  0  0  0
 25 14  1  0  0  0  0
 26 14  2  0  0  0  0
 27  2  1  0  0  0  0
 28 30  2  0  0  0  0
 29  4  1  0  0  0  0
 30 26  1  0  0  0  0
 31 25  2  0  0  0  0
 32 28  1  0  0  0  0
  3  4  1  0  0  0  0
 28 31  1  0  0  0  0
  7  8  2  0  0  0  0
 17 13  2  0  0  0  0
 20 19  1  0  0  0  0
M  END
>  <Mol_ID> (2,350)
2350

>  <Formula> (2,350)
C23H18FN3O4S

>  <MolWeight> (2,350)
451.4701232

>  <COMPOUND_NAME> (2,350)
WAY-646544

>  <BAR_CODE_NO> (2,350)
90481152

$$$$
WAY-646877
csChFnd80/06171916322D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -0.1250    2.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083    2.8708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6625    2.4583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667   -0.5917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6625    3.2833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3833    1.4125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1250    3.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167   -1.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667   -1.9917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1750    0.8000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.8875   -0.1542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5125   -2.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958   -2.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5958   -1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5500   -3.7375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458   -2.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792    0.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4 11  1  0  0  0  0
  5  4  1  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  5  1  0  0  0  0
 10  9  2  0  0  0  0
 11  7  1  0  0  0  0
 12  4  2  0  0  0  0
 13 10  1  0  0  0  0
 14 17  1  0  0  0  0
 15  9  1  0  0  0  0
 16 14  1  0  0  0  0
 17 15  2  0  0  0  0
 18 11  1  0  0  0  0
  8  6  2  0  0  0  0
 14 13  2  0  0  0  0
M  END
>  <Mol_ID> (2,351)
2351

>  <Formula> (2,351)
C10H9ClN4OS2

>  <MolWeight> (2,351)
300.78766

>  <COMPOUND_NAME> (2,351)
WAY-646877

>  <BAR_CODE_NO> (2,351)
90481491

$$$$
WAY-646943
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
    2.5875   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8542   -0.8042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1125    1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9500    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8542    0.0208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0667    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1250    0.3208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0667   -1.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5250    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7125    1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7625   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3625   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3500    0.3208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3625    1.0333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1125   -0.3917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9500   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3625   -1.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5250    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8167    1.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1250    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1875   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8167   -1.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6000   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1875   -1.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9500   -2.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1125    2.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7125    2.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  8  2  0  0  0  0
  3  9  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  7 10  1  0  0  0  0
  8  1  1  0  0  0  0
  9 13  1  0  0  0  0
 10  3  2  0  0  0  0
 11  1  1  0  0  0  0
 12  4  1  0  0  0  0
 13 11  1  0  0  0  0
 14  4  2  0  0  0  0
 15  9  2  0  0  0  0
 16 12  2  0  0  0  0
 17 16  1  0  0  0  0
 18  3  1  0  0  0  0
 19  6  1  0  0  0  0
 20 10  1  0  0  0  0
 21 12  1  0  0  0  0
 22  8  1  0  0  0  0
 23 21  2  0  0  0  0
 24 23  1  0  0  0  0
 25 17  1  0  0  0  0
 26 18  2  0  0  0  0
 27 26  1  0  0  0  0
  5  2  1  0  0  0  0
 27 20  2  0  0  0  0
 24 17  2  0  0  0  0
M  END
>  <Mol_ID> (2,352)
2352

>  <Formula> (2,352)
C21H20N2O4

>  <MolWeight> (2,352)
364.3945

>  <COMPOUND_NAME> (2,352)
WAY-646943

>  <BAR_CODE_NO> (2,352)
90481557

$$$$
WAY-646951
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -1.0125    1.8708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000   -1.4292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9250    1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6833    0.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2333    1.3250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8208    2.0375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167   -2.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167   -1.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000   -3.0792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2125   -1.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2125   -2.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2125    0.6333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4000    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9292   -3.0792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2125   -0.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167   -0.1917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5708    3.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792    2.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7750   -1.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167   -1.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417    3.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917    2.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    3.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9250   -1.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9250   -3.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4375    4.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6458   -1.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6458   -2.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 11  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  7  8  1  0  0  0  0
  8  2  1  0  0  0  0
  9 12  1  0  0  0  0
 10  2  1  0  0  0  0
 11 16  1  0  0  0  0
 12 10  2  0  0  0  0
 13  3  1  0  0  0  0
 14  1  1  0  0  0  0
 15  7  2  0  0  0  0
 16 13  1  0  0  0  0
 17 11  2  0  0  0  0
 18 14  1  0  0  0  0
 19 14  2  0  0  0  0
 20  8  1  0  0  0  0
 21  8  1  0  0  0  0
 22 18  2  0  0  0  0
 23 19  1  0  0  0  0
 24 23  2  0  0  0  0
 25 10  1  0  0  0  0
 26 12  1  0  0  0  0
 27 24  1  0  0  0  0
 28 25  2  0  0  0  0
 29 28  1  0  0  0  0
  4  5  1  0  0  0  0
 22 24  1  0  0  0  0
  9  7  1  0  0  0  0
 29 26  2  0  0  0  0
M  END
>  <Mol_ID> (2,353)
2353

>  <Formula> (2,353)
C20H20N6O2S

>  <MolWeight> (2,353)
408.4768

>  <COMPOUND_NAME> (2,353)
WAY-646951

>  <BAR_CODE_NO> (2,353)
90481565

$$$$
WAY-646958
csChFnd80/06171916322D

 23 26  0  0  0  0  0  0  0  0999 V2000
   -0.8458   -0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5875    0.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458    0.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1250    0.7208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5875   -0.5167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1250   -0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6250   -0.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6250    0.5583    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1125   -0.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042    0.7208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8833   -1.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292    2.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4958   -2.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7083   -2.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042    1.5458    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.1250   -1.7542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8917    2.8083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1500    1.7708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042   -0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042   -1.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167   -2.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9667    2.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7167    2.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  7  1  1  0  0  0  0
  8  3  1  0  0  0  0
  9  7  2  0  0  0  0
 10  2  1  0  0  0  0
 11  7  1  0  0  0  0
 12 15  1  0  0  0  0
 13 11  1  0  0  0  0
 14 11  1  0  0  0  0
 15 10  1  0  0  0  0
 16  6  2  0  0  0  0
 17 12  1  0  0  0  0
 18 12  2  0  0  0  0
 19  5  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 15  1  0  0  0  0
 23 22  1  0  0  0  0
  9  8  1  0  0  0  0
  4  2  2  0  0  0  0
 14 13  1  0  0  0  0
 17 23  1  0  0  0  0
M  END
>  <Mol_ID> (2,354)
2354

>  <Formula> (2,354)
C16H16N2O3S2

>  <MolWeight> (2,354)
348.43984

>  <COMPOUND_NAME> (2,354)
WAY-646958

>  <BAR_CODE_NO> (2,354)
90481572

$$$$
WAY-646979
csChFnd80/06171916322D

 21 24  0  0  0  0  0  0  0  0999 V2000
    1.6917   -0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833   -0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917   -0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3125   -0.1042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458    1.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6708   -0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2708   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4042   -0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0375    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5833    0.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8333   -0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792   -1.3875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6583   -0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2083    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6500    0.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4042   -1.3750    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    1.6917    0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1167   -0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4042    1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1250    0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 13  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  9  1  0  0  0  0
  6 11  1  0  0  0  0
  7 10  1  0  0  0  0
  8  1  2  0  0  0  0
  9  2  1  0  0  0  0
 10  2  1  0  0  0  0
 11  2  1  0  0  0  0
 12  3  2  0  0  0  0
 13  4  1  0  0  0  0
 14  7  1  0  0  0  0
 15  6  1  0  0  0  0
 16  6  1  0  0  0  0
 17  8  1  0  0  0  0
 18  1  1  0  0  0  0
 19  8  1  0  0  0  0
 20 18  2  0  0  0  0
 21 20  1  0  0  0  0
 21 19  2  0  0  0  0
 16  5  1  0  0  0  0
  7 15  1  0  0  0  0
 14  5  1  0  0  0  0
M  END
>  <Mol_ID> (2,355)
2355

>  <Formula> (2,355)
C18H22INO

>  <MolWeight> (2,355)
395.27785

>  <COMPOUND_NAME> (2,355)
WAY-646979

>  <BAR_CODE_NO> (2,355)
90481593

$$$$
WAY-646986
csChFnd80/06171916322D

 32 35  0  0  1  0  0  0  0  0999 V2000
   -2.8708    0.6333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8708   -0.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1583    1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1583   -0.6042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6583   -0.4500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4458    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6583    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292   -0.6042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4458   -0.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8417   -0.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1458    0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167   -0.1917    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7042   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1583    1.8708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5625   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0125   -0.1917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8417    0.6333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042   -1.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7250   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5625   -1.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2750   -0.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9917   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2750   -1.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9917   -1.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9875    1.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9583    0.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042    1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292    1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7042   -1.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8083    1.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2958    1.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
 12  8  1  6  0  0  0
  9  6  2  0  0  0  0
 10  8  1  0  0  0  0
 11  7  2  0  0  0  0
 12 13  1  0  0  0  0
 13 16  1  0  0  0  0
 14  3  2  0  0  0  0
 15 10  1  0  0  0  0
 16 19  1  0  0  0  0
 17 10  2  0  0  0  0
 18 13  2  0  0  0  0
 19  9  1  0  0  0  0
 20 15  1  0  0  0  0
 21 15  2  0  0  0  0
 22 12  1  0  0  0  0
 23 21  1  0  0  0  0
 24 20  2  0  0  0  0
 25 23  2  0  0  0  0
 26  7  1  0  0  0  0
 27 11  1  0  0  0  0
 28 22  1  0  0  0  0
 29 22  1  0  0  0  0
 30 25  1  0  0  0  0
 31 26  2  0  0  0  0
 32 31  1  0  0  0  0
  5 11  1  0  0  0  0
  9  4  1  0  0  0  0
 32 27  2  0  0  0  0
 25 24  1  0  0  0  0
M  END
>  <Mol_ID> (2,356)
2356

>  <Formula> (2,356)
C24H23N3O4S

>  <MolWeight> (2,356)
449.52212

>  <COMPOUND_NAME> (2,356)
WAY-646986

>  <BAR_CODE_NO> (2,356)
90481600

$$$$
WAY-646993
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
    2.8750   -0.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1417   -1.0417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000    0.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1417   -0.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3625    0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3625   -1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8125    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4250    0.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8375    0.0833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0500   -0.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6625    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6375    0.0833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000   -0.6292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0750    0.7958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0750   -0.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8125    1.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9000   -0.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1042    0.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8375    1.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1042   -2.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3125    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3125   -1.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000    2.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4250    2.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1458   -1.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1458    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5500   -0.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  1  0  0  0  0
  7 12  1  0  0  0  0
  8  3  2  0  0  0  0
  9  8  1  0  0  0  0
 10  1  1  0  0  0  0
 11  9  1  0  0  0  0
 12 10  1  0  0  0  0
 13  7  2  0  0  0  0
 14 11  2  0  0  0  0
 15 11  1  0  0  0  0
 16  3  1  0  0  0  0
 17 15  1  0  0  0  0
 18  5  1  0  0  0  0
 19  8  1  0  0  0  0
 20  6  1  0  0  0  0
 21 17  1  0  0  0  0
 22 17  2  0  0  0  0
 23 16  2  0  0  0  0
 24 23  1  0  0  0  0
 25 22  1  0  0  0  0
 26 21  2  0  0  0  0
 27 25  2  0  0  0  0
  4  2  1  0  0  0  0
 24 19  2  0  0  0  0
 27 26  1  0  0  0  0
M  END
>  <Mol_ID> (2,357)
2357

>  <Formula> (2,357)
C21H20N2O4

>  <MolWeight> (2,357)
364.3945

>  <COMPOUND_NAME> (2,357)
WAY-646993

>  <BAR_CODE_NO> (2,357)
90481607

$$$$
WAY-646995
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -2.0875   -1.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708   -1.1042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0875    0.1333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8000   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5250   -0.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8000   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0792    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542    0.9583    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.9000    0.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6667    1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3792    0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542   -0.2792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0875   -2.3417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0500    1.7458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2042    0.9083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5125   -1.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5125    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6875    1.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2333   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2333   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5042    1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  8  1  0  0  0  0
  4  1  1  0  0  0  0
  5  7  2  0  0  0  0
  6  2  1  0  0  0  0
  7 14  1  0  0  0  0
  8  4  2  0  0  0  0
  9  5  1  0  0  0  0
 10  7  1  0  0  0  0
 11  9  1  0  0  0  0
 12 10  1  0  0  0  0
 13 11  1  0  0  0  0
 14 17  1  0  0  0  0
 15  1  2  0  0  0  0
 16 13  2  0  0  0  0
 17  6  1  0  0  0  0
 18 13  1  0  0  0  0
 19  4  1  0  0  0  0
 20  8  1  0  0  0  0
 21 18  1  0  0  0  0
 22 19  2  0  0  0  0
 23 22  1  0  0  0  0
 24 21  1  0  0  0  0
  3  6  2  0  0  0  0
 23 20  2  0  0  0  0
 12  9  2  0  0  0  0
M  END
>  <Mol_ID> (2,358)
2358

>  <Formula> (2,358)
C16H15N3O3S2

>  <MolWeight> (2,358)
361.4386

>  <COMPOUND_NAME> (2,358)
WAY-646995

>  <BAR_CODE_NO> (2,358)
90481609

$$$$
WAY-646625
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.9089    1.0946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3847    0.3336    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8987    2.2946    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8223    0.3556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8223   -1.1394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5278    1.1213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2444    0.8114    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5278   -1.9051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2444   -1.5952    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2151    0.3556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1195   -0.3737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2151   -1.1394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2913    1.0480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9845    0.3114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5826    0.2847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9693   -1.1886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6910    1.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5672   -1.2152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8915    1.0191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2605   -1.9519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9236    0.4070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  2  1  0  0  0  0
 10  1  1  0  0  0  0
 17  2  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  2  0  0  0  0
  8 12  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  2  0  0  0  0
 19 21  1  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (2,359)
2359

>  <Formula> (2,359)
C16H15N3O2

>  <MolWeight> (2,359)
281.3092

>  <COMPOUND_NAME> (2,359)
WAY-646625

>  <BAR_CODE_NO> (2,359)
90481234

$$$$
WAY-646755
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -0.6458    2.4708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6458    1.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1583    1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333    1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333    2.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6750   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792   -0.7792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3875    0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7917   -2.5167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167   -1.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167    0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7375   -1.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5417   -1.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1458    0.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2417   -3.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1458    2.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1792   -2.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4375   -2.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8583    1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8583    2.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  1  1  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6 11  1  0  0  0  0
  7  6  1  0  0  0  0
  8  2  1  0  0  0  0
  9 13  1  0  0  0  0
 10  6  2  0  0  0  0
 11  8  1  0  0  0  0
 12  7  1  0  0  0  0
 13 12  2  0  0  0  0
 14  4  1  0  0  0  0
 15 18  1  0  0  0  0
 16  5  1  0  0  0  0
 17 12  1  0  0  0  0
 18 17  2  0  0  0  0
 19 20  1  0  0  0  0
 20 16  2  0  0  0  0
  4  2  1  0  0  0  0
 19 14  2  0  0  0  0
 15  9  2  0  0  0  0
M  END
>  <Mol_ID> (2,360)
2360

>  <Formula> (2,360)
C16H15N3O

>  <MolWeight> (2,360)
265.3098

>  <COMPOUND_NAME> (2,360)
WAY-646755

>  <BAR_CODE_NO> (2,360)
90481368

$$$$
CL-207134
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
    3.4939   -0.3864    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4939   -1.9156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1497    0.3701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9633    0.0762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1497   -2.7048    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9633   -2.3946    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -0.3864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1497    1.9156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8775   -1.1429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.9320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5061    0.3701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8558   -0.3864    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5061    1.9156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1837    0.3701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5279   -0.3701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1837    1.9156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8775    0.3864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5279   -1.9156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5279    2.7048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8775    1.9320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8775   -2.6884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  2  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (2,361)
2361

>  <Formula> (2,361)
C15H15N3O2S

>  <MolWeight> (2,361)
301.3635

>  <COMPOUND_NAME> (2,361)
CL-207134

>  <BAR_CODE_NO> (2,361)
390585

$$$$
CL-392670
csChFnd80/06171916322D

 14 16  0  0  0  0  0  0  0  0999 V2000
    0.1305    0.2763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2316    0.7315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1305   -1.1409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3719    0.9936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0695   -0.4409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0798    1.8901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2316   -1.5961    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3719   -1.8582    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6202    0.2660    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3512    2.4281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4316    0.0074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4316    1.4315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6202   -1.1409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8788   -1.8478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  8 13  2  0  0  0  0
 13 14  1  0  0  0  0
  5  7  1  0  0  0  0
  9 13  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (2,362)
2362

>  <Formula> (2,362)
C10H10N2OS

>  <MolWeight> (2,362)
206.2642

>  <COMPOUND_NAME> (2,362)
CL-392670

>  <BAR_CODE_NO> (2,362)
90446145

$$$$
CL-430380
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -1.0241    0.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0241    1.2036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0552   -0.7067    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0552   -0.6067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0552    1.8140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1138    1.9726    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1069   -0.3860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0759    0.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0759    1.2036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0138    1.7554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9069   -1.2446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5655    0.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0931    1.7933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6759    2.7450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5655   -2.3860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0862   -0.9964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1138    1.2243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3552   -3.2446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8759   -1.8343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5345   -2.9964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  2  0  0  0  0
 11 15  1  0  0  0  0
 11 16  2  0  0  0  0
 13 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 18 20  1  0  0  0  0
  8  9  1  0  0  0  0
 10 12  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (2,363)
2363

>  <Formula> (2,363)
C16H14N2O2

>  <MolWeight> (2,363)
266.29456

>  <COMPOUND_NAME> (2,363)
CL-430380

>  <BAR_CODE_NO> (2,363)
90446204

$$$$
SD-95898
csChFnd80/06171916322D

 22 23  0  0  0  0  0  0  0  0999 V2000
   -4.8214    0.1297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7743    1.2038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3206    0.8340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9139   -0.6099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9610   -1.6839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4147   -1.3141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5544   -3.1277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6015   -4.2018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1809    2.6476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2735    1.9080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1802    1.5383    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2751    0.4995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2273    2.6123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6810    2.2426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0876    0.7987    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0406   -0.2753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5868    0.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5413    0.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5884    1.5030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9480   -1.0149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4017   -1.3847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8083   -2.8285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  2  9  1  0  0  0  0
  3 10  1  0  0  0  0
 10 11  1  0  0  0  0
  1 12  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 11  1  0  0  0  0
 11 13  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (2,364)
2364

>  <Formula> (2,364)
C14H20N2O6

>  <MolWeight> (2,364)
312.3184

>  <COMPOUND_NAME> (2,364)
SD-95898

>  <BAR_CODE_NO> (2,364)
90446077

$$$$
WAY-273146
csChFnd80/06171916322D

 36 40  0  0  0  0  0  0  0  0999 V2000
   -3.8708    6.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1708    6.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708    5.4417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    5.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    6.6667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4500    5.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1708    7.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8833    7.9042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    4.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5958    7.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4583    6.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708    3.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    5.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8625    2.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    5.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8958    8.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4583    7.9042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3000    7.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5708    4.2042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    4.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5958    9.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3083    8.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5708    2.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000    5.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2875    5.4375    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.0250    5.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1458    2.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6042    5.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2833    2.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5625    1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083    5.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4708    6.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042    5.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2792    6.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1458    1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8583    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  2  1  0  0  0  0
  8 10  1  0  0  0  0
  9  4  2  0  0  0  0
 10  5  2  0  0  0  0
 11  2  1  0  0  0  0
 12  9  1  0  0  0  0
 13  6  1  0  0  0  0
 14 12  1  0  0  0  0
 15  3  1  0  0  0  0
 16  8  1  0  0  0  0
 17  7  2  0  0  0  0
 18 10  1  0  0  0  0
 19 12  2  0  0  0  0
 20 13  2  0  0  0  0
 21 22  1  0  0  0  0
 22 18  2  0  0  0  0
 23 14  2  0  0  0  0
 24 25  1  0  0  0  0
 25 15  1  0  0  0  0
 26 13  1  0  0  0  0
 27 14  1  0  0  0  0
 28 24  1  0  0  0  0
 29 23  1  0  0  0  0
 30 23  1  0  0  0  0
 31 26  1  0  0  0  0
 32 25  1  0  0  0  0
 33 31  1  0  0  0  0
 34 32  1  0  0  0  0
 35 27  2  0  0  0  0
 36 35  1  0  0  0  0
  6 11  2  0  0  0  0
  7  8  1  0  0  0  0
 21 16  2  0  0  0  0
 34 28  1  0  0  0  0
 30 36  2  0  0  0  0
M  END
>  <Mol_ID> (2,365)
2365

>  <Formula> (2,365)
C27H26N4O5

>  <MolWeight> (2,365)
486.51914

>  <COMPOUND_NAME> (2,365)
WAY-273146

>  <BAR_CODE_NO> (2,365)
391090

$$$$
WAY-273175
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
    1.4042   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4042    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167   -0.9917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6125   -0.8292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8292   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8292    0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292   -0.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6125    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5625   -0.9917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167    1.4958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2792   -0.5792    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.4958   -1.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2792    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7167   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542   -3.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958   -2.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708   -3.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  2  0  0  0  0
  6  5  1  0  0  0  0
  7  2  1  0  0  0  0
  8  4  1  0  0  0  0
  9  2  1  0  0  0  0
 10  5  1  0  0  0  0
 11  4  1  0  0  0  0
 12  7  2  0  0  0  0
 13 10  1  0  0  0  0
 14 11  2  0  0  0  0
 15 11  1  0  0  0  0
 16 13  1  0  0  0  0
 17 13  1  0  0  0  0
 18 16  1  0  0  0  0
 19 15  2  0  0  0  0
 20 14  1  0  0  0  0
 21 19  1  0  0  0  0
  8  9  2  0  0  0  0
  6  7  1  0  0  0  0
 21 20  2  0  0  0  0
M  END
>  <Mol_ID> (2,366)
2366

>  <Formula> (2,366)
C15H16N4OS

>  <MolWeight> (2,366)
300.37874

>  <COMPOUND_NAME> (2,366)
WAY-273175

>  <BAR_CODE_NO> (2,366)
391119

$$$$
WAY-273235
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.4042   -0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4042    0.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167   -0.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6125   -0.4375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8292   -0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8292    0.6458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167    1.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292    0.2458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6125    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167   -1.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5625   -0.6000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167    1.8958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958   -1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417   -1.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542   -2.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958   -2.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708   -2.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2792   -0.1875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.5708   -3.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2792    0.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7167   -0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  2  0  0  0  0
  6  5  1  0  0  0  0
  7  2  1  0  0  0  0
  8  4  1  0  0  0  0
  9  2  1  0  0  0  0
 10  4  1  0  0  0  0
 11  5  1  0  0  0  0
 12  7  2  0  0  0  0
 13 10  2  0  0  0  0
 14 10  1  0  0  0  0
 15 14  2  0  0  0  0
 16 13  1  0  0  0  0
 17 15  1  0  0  0  0
 18 11  1  0  0  0  0
 19 17  1  0  0  0  0
 20 18  1  0  0  0  0
 21 18  1  0  0  0  0
 22 20  1  0  0  0  0
  8  9  2  0  0  0  0
  6  7  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (2,367)
2367

>  <Formula> (2,367)
C16H18N4OS

>  <MolWeight> (2,367)
314.40532

>  <COMPOUND_NAME> (2,367)
WAY-273235

>  <BAR_CODE_NO> (2,367)
391179

$$$$
WAY-273263
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
    1.7917   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7917    0.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042   -0.6667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042   -0.5042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2292   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2292    0.5750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042    0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5250    0.1708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042    0.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125   -1.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9542   -0.6750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042    1.8208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1083   -1.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -1.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167   -2.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9417   -2.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4083   -2.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1708   -3.6042    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.6667   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6667    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3917   -0.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  2  0  0  0  0
  6  5  1  0  0  0  0
  7  2  1  0  0  0  0
  8  4  1  0  0  0  0
  9  2  1  0  0  0  0
 10  4  1  0  0  0  0
 11  5  1  0  0  0  0
 12  7  2  0  0  0  0
 13 10  2  0  0  0  0
 14 10  1  0  0  0  0
 15 16  1  0  0  0  0
 16 14  2  0  0  0  0
 17 13  1  0  0  0  0
 18 15  1  0  0  0  0
 19 11  1  0  0  0  0
 20 19  1  0  0  0  0
 21 19  1  0  0  0  0
  9  8  2  0  0  0  0
  7  6  1  0  0  0  0
 17 15  2  0  0  0  0
M  END
>  <Mol_ID> (2,368)
2368

>  <Formula> (2,368)
C14H13FN4OS

>  <MolWeight> (2,368)
304.3426232

>  <COMPOUND_NAME> (2,368)
WAY-273263

>  <BAR_CODE_NO> (2,368)
391207

$$$$
WAY-273314
csChFnd80/06171916322D

 31 35  0  0  0  0  0  0  0  0999 V2000
   -2.4208    1.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4208    1.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7083    0.7958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708    1.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7083    2.0083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0708    0.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7208    1.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7208    1.7750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0708    2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7292    3.2083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292    3.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5250    1.3583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6000    4.4042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4042    3.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3417    4.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3708    0.6458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0708    2.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833    0.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208    1.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083    3.6083    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4750    2.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0708   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5750    0.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7375    2.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9750    1.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0875    3.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9542    4.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7250    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6375    4.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7042    3.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  2  1  0  0  0  0
 10 11  2  0  0  0  0
 11 20  1  0  0  0  0
 12  4  1  0  0  0  0
 13 11  1  0  0  0  0
 14 10  1  0  0  0  0
 15 13  1  0  0  0  0
 16  7  2  0  0  0  0
 17  9  2  0  0  0  0
 18 12  1  0  0  0  0
 19 12  1  0  0  0  0
 20 25  1  0  0  0  0
 21  5  1  0  0  0  0
 22  6  1  0  0  0  0
 23 19  1  0  0  0  0
 24 18  1  0  0  0  0
 25 21  1  0  0  0  0
 26 23  1  0  0  0  0
 27 14  1  0  0  0  0
 28 15  1  0  0  0  0
 29 26  1  0  0  0  0
 30 28  2  0  0  0  0
 31 27  2  0  0  0  0
  8  9  1  0  0  0  0
  5  4  1  0  0  0  0
 26 24  1  0  0  0  0
 15 14  2  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (2,369)
2369

>  <Formula> (2,369)
C21H24N6O3S

>  <MolWeight> (2,369)
440.51866

>  <COMPOUND_NAME> (2,369)
WAY-273314

>  <BAR_CODE_NO> (2,369)
391258

$$$$
WAY-273325
csChFnd80/06171916322D

 32 36  0  0  0  0  0  0  0  0999 V2000
    3.3792   -4.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3792   -3.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1667   -4.9125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6500   -4.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6625   -5.0667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9417   -3.8292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9417   -4.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6625   -3.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1667   -3.5667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4750   -4.2875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8625   -2.2417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3125   -1.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7167   -0.9167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6125   -1.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5417   -1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167   -5.0792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6625   -2.5792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9250   -3.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4917   -1.8042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.4250   -2.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6625   -5.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2250   -3.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8542   -5.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2417   -2.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7542   -3.6250    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.6917   -5.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3667   -2.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2167   -0.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1375   -4.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2250   -2.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9750   -0.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0500   -1.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  5  1  0  0  0  0
  8  2  1  0  0  0  0
  9  2  1  0  0  0  0
 10  4  1  0  0  0  0
 11 12  2  0  0  0  0
 12 19  1  0  0  0  0
 13 12  1  0  0  0  0
 14 11  1  0  0  0  0
 15 13  1  0  0  0  0
 16  7  2  0  0  0  0
 17  8  2  0  0  0  0
 18 10  1  0  0  0  0
 19 24  1  0  0  0  0
 20  9  1  0  0  0  0
 21  5  1  0  0  0  0
 22  6  1  0  0  0  0
 23 10  1  0  0  0  0
 24 20  1  0  0  0  0
 25 18  1  0  0  0  0
 26 23  1  0  0  0  0
 27 14  1  0  0  0  0
 28 15  1  0  0  0  0
 29 26  1  0  0  0  0
 30 25  1  0  0  0  0
 31 28  2  0  0  0  0
 32 27  2  0  0  0  0
  9  4  1  0  0  0  0
  8  6  1  0  0  0  0
 29 25  1  0  0  0  0
 14 15  2  0  0  0  0
 32 31  1  0  0  0  0
M  END
>  <Mol_ID> (2,370)
2370

>  <Formula> (2,370)
C22H26N6O3S

>  <MolWeight> (2,370)
454.54524

>  <COMPOUND_NAME> (2,370)
WAY-273325

>  <BAR_CODE_NO> (2,370)
391269

$$$$
WAY-273335
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
    3.7042   -4.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7042   -3.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4917   -4.8792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9917   -5.0375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9750   -4.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2792   -3.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2792   -4.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9917   -3.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4917   -3.5417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917   -4.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6250   -1.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1750   -2.2292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5625   -5.0417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4417   -4.3292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9917   -2.5625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8792   -0.8417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1667   -4.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2417   -3.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7500   -2.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9917   -5.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5625   -3.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8125   -1.7875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.9792   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0042   -5.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0667   -3.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6792   -0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2292   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5625   -2.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2667   -4.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5167   -2.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7042   -3.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  2  0  0  0  0
  6  7  1  0  0  0  0
  7  4  1  0  0  0  0
  8  2  1  0  0  0  0
  9  2  1  0  0  0  0
 10  5  1  0  0  0  0
 11 22  1  0  0  0  0
 12 11  1  0  0  0  0
 13  7  2  0  0  0  0
 14 25  1  0  0  0  0
 15  8  2  0  0  0  0
 16 11  2  0  0  0  0
 17 10  1  0  0  0  0
 18 10  1  0  0  0  0
 19  9  1  0  0  0  0
 20  4  1  0  0  0  0
 21  6  1  0  0  0  0
 22 28  1  0  0  0  0
 23 12  2  0  0  0  0
 24 17  1  0  0  0  0
 25 18  1  0  0  0  0
 26 16  1  0  0  0  0
 27 26  2  0  0  0  0
 28 19  1  0  0  0  0
 29 14  1  0  0  0  0
 30 23  1  0  0  0  0
 31 29  1  0  0  0  0
  9  5  1  0  0  0  0
  8  6  1  0  0  0  0
 24 14  1  0  0  0  0
 23 27  1  0  0  0  0
M  END
>  <Mol_ID> (2,371)
2371

>  <Formula> (2,371)
C20H28N8O2S

>  <MolWeight> (2,371)
444.55372

>  <COMPOUND_NAME> (2,371)
WAY-273335

>  <BAR_CODE_NO> (2,371)
391279

$$$$
WAY-273348
csChFnd80/06171916322D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -2.2500    3.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6125    1.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0125    2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9958    3.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2250    2.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8125    3.6750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1333    4.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2958    2.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5000    3.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6958    4.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9583    2.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0208    5.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458    4.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2333    3.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4583    2.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5833    6.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208    5.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8333    6.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  3  1  0  0  0  0
  9  4  1  0  0  0  0
 10  7  1  0  0  0  0
 11  5  1  0  0  0  0
 12 10  1  0  0  0  0
 13 10  2  0  0  0  0
 14  9  2  0  0  0  0
 15 14  1  0  0  0  0
 16 12  2  0  0  0  0
 17 13  1  0  0  0  0
 18 17  2  0  0  0  0
  2  5  1  0  0  0  0
 11 15  2  0  0  0  0
 18 16  1  0  0  0  0
M  END
>  <Mol_ID> (2,372)
2372

>  <Formula> (2,372)
C16H15NS

>  <MolWeight> (2,372)
253.362

>  <COMPOUND_NAME> (2,372)
WAY-273348

>  <BAR_CODE_NO> (2,372)
391292

$$$$
WAY-273431
csChFnd80/06171916322D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -3.1500    2.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7958    2.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1500    1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4375    2.7958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4375    1.5833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4458    2.5625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7958    1.4375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0000    2.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7958    3.6875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4458    1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1500    4.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5000    3.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8500    4.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1958    3.6833    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5083    5.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1500    4.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8500    4.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  2  0  0  0  0
  7  3  1  0  0  0  0
  8  4  2  0  0  0  0
  9  2  1  0  0  0  0
 10  7  2  0  0  0  0
 11  9  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
 17 15  1  0  0  0  0
  8  5  1  0  0  0  0
 10  6  1  0  0  0  0
 17 13  2  0  0  0  0
M  END
>  <Mol_ID> (2,373)
2373

>  <Formula> (2,373)
C11H8FN5

>  <MolWeight> (2,373)
229.2131232

>  <COMPOUND_NAME> (2,373)
WAY-273431

>  <BAR_CODE_NO> (2,373)
391375

$$$$
WAY-273437
csChFnd80/06171916322D

 16 18  0  0  0  0  0  0  0  0999 V2000
    0.1383   -0.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1099   -0.1205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1383   -0.5515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4107   -0.1791    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1099    0.1588    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3513   -0.2688    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1099   -0.6895    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4107   -0.6412    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5797   -0.4101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3513    0.3002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1383    0.3002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3513   -0.5515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3513    0.5899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1383    0.5899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1099    0.7312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1099    1.0105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
  7 12  2  0  0  0  0
  8  9  2  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (2,374)
2374

>  <Formula> (2,374)
C10H13N5O

>  <MolWeight> (2,374)
219.24312

>  <COMPOUND_NAME> (2,374)
WAY-273437

>  <BAR_CODE_NO> (2,374)
391383

$$$$
WAY-273439
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -3.1500    2.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1500    1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4375    2.7958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7958    2.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4375    1.5833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7958    1.4375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4458    2.5625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0000    2.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7958    3.6875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4458    1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5000    5.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1500    6.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5000    5.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7958    5.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1500    4.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1500    4.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7958    5.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458    6.3167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1500    7.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458    7.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5083    7.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000    7.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  2  1  0  0  0  0
  7  4  2  0  0  0  0
  8  3  2  0  0  0  0
  9  4  1  0  0  0  0
 10  7  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  1  0  0  0  0
 16  9  1  0  0  0  0
 17 15  2  0  0  0  0
 18 11  1  0  0  0  0
 19 12  1  0  0  0  0
 20 18  1  0  0  0  0
 21 19  1  0  0  0  0
 22 20  1  0  0  0  0
  8  5  1  0  0  0  0
 10  6  2  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (2,375)
2375

>  <Formula> (2,375)
C15H17N5O2

>  <MolWeight> (2,375)
299.32778

>  <COMPOUND_NAME> (2,375)
WAY-273439

>  <BAR_CODE_NO> (2,375)
391385

$$$$
WAY-273492
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -2.0125    1.7375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0125    2.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6625    1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3083    1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6625    2.8625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3083    2.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3583    2.8708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0208    1.5083    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708    1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6625    0.6125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583    2.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583    3.6125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0208    2.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917    2.4958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2625    5.2417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7083    2.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208    1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708    0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4583    2.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7083    3.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7083    4.7417    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.7208    0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708    1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708    0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9583    5.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917    0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583    5.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208    5.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  2  0  0  0  0
  6  4  2  0  0  0  0
  7  2  1  0  0  0  0
  8  4  1  0  0  0  0
  9  1  1  0  0  0  0
 10  3  2  0  0  0  0
 11 16  1  0  0  0  0
 12 11  1  0  0  0  0
 13  6  1  0  0  0  0
 14 11  2  0  0  0  0
 15 21  1  0  0  0  0
 16  7  1  0  0  0  0
 17  9  1  0  0  0  0
 18  9  2  0  0  0  0
 19  8  1  0  0  0  0
 20 12  1  0  0  0  0
 21 20  1  0  0  0  0
 22 18  1  0  0  0  0
 23 17  2  0  0  0  0
 24 22  2  0  0  0  0
 25 15  1  0  0  0  0
 26 24  1  0  0  0  0
 27 21  1  0  0  0  0
 28 27  1  0  0  0  0
  5  6  1  0  0  0  0
 23 24  1  0  0  0  0
 13 19  1  0  0  0  0
 28 25  1  0  0  0  0
M  END
>  <Mol_ID> (2,376)
2376

>  <Formula> (2,376)
C20H23N3O3S2

>  <MolWeight> (2,376)
417.54492

>  <COMPOUND_NAME> (2,376)
WAY-273492

>  <BAR_CODE_NO> (2,376)
391437

$$$$
WAY-273524
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
    5.8750   -9.0167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8750   -8.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1542   -9.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4292   -9.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1542   -7.7667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4292   -8.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5917   -9.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6042   -7.7625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6417   -9.2667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.1542  -10.2667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0500   -7.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0500   -6.9292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5917  -10.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6417   -7.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7667   -8.1792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3250   -8.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1542   -8.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3292   -6.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8750  -10.6792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3167   -9.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3125  -10.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8667  -11.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6042   -6.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3292   -5.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0417   -9.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0417  -10.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8792   -6.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6125   -5.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8792   -5.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  2  0  0  0  0
  6  4  2  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  4  1  0  0  0  0
 10  3  2  0  0  0  0
 11 16  1  0  0  0  0
 12 11  1  0  0  0  0
 13  7  2  0  0  0  0
 14  6  1  0  0  0  0
 15 11  2  0  0  0  0
 16  8  1  0  0  0  0
 17  9  1  0  0  0  0
 18 12  1  0  0  0  0
 19 13  1  0  0  0  0
 20  7  1  0  0  0  0
 21 13  1  0  0  0  0
 22 19  1  0  0  0  0
 23 18  1  0  0  0  0
 24 18  1  0  0  0  0
 25 20  2  0  0  0  0
 26 25  1  0  0  0  0
 27 23  1  0  0  0  0
 28 24  1  0  0  0  0
 29 28  1  0  0  0  0
  6  5  1  0  0  0  0
 26 21  2  0  0  0  0
 14 17  1  0  0  0  0
 29 27  1  0  0  0  0
M  END
>  <Mol_ID> (2,377)
2377

>  <Formula> (2,377)
C21H25N3O3S2

>  <MolWeight> (2,377)
431.5715

>  <COMPOUND_NAME> (2,377)
WAY-273524

>  <BAR_CODE_NO> (2,377)
391469

$$$$
WAY-273531
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    5.8875   -7.7875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1625   -8.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8875   -6.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4417   -7.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1625   -6.5292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4417   -6.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6042   -8.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6542   -8.0417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.1625   -9.0375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6167   -6.5292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.6042   -9.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6542   -6.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1667   -7.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8875   -9.4417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3292   -7.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3375   -6.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3250   -9.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8792  -10.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0625   -6.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0500   -8.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7792   -6.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0500   -9.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  2  0  0  0  0
  6  5  1  0  0  0  0
  7  1  1  0  0  0  0
  8  4  1  0  0  0  0
  9  2  2  0  0  0  0
 10  3  1  0  0  0  0
 11  7  2  0  0  0  0
 12  6  1  0  0  0  0
 13  8  1  0  0  0  0
 14 11  1  0  0  0  0
 15  7  1  0  0  0  0
 16 10  1  0  0  0  0
 17 11  1  0  0  0  0
 18 14  1  0  0  0  0
 19 16  1  0  0  0  0
 20 15  2  0  0  0  0
 21 19  1  0  0  0  0
 22 20  1  0  0  0  0
  6  4  2  0  0  0  0
 22 17  2  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <Mol_ID> (2,378)
2378

>  <Formula> (2,378)
C16H18N2O2S2

>  <MolWeight> (2,378)
334.45632

>  <COMPOUND_NAME> (2,378)
WAY-273531

>  <BAR_CODE_NO> (2,378)
391476

$$$$
WAY-273567
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -2.0125    1.7375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0125    2.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6625    1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3083    1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6625    2.8625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3083    2.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3583    2.8708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0208    1.5083    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708    1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6625    0.6125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0208    2.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708    0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208    1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4583    2.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708    0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708    1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208    0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7083    2.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792    0.2333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2292    0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0625    2.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7083    1.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8792    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  2  0  0  0  0
  6  4  2  0  0  0  0
  7  2  1  0  0  0  0
  8  4  1  0  0  0  0
  9  1  1  0  0  0  0
 10  3  2  0  0  0  0
 11  6  1  0  0  0  0
 12  9  2  0  0  0  0
 13  9  1  0  0  0  0
 14  8  1  0  0  0  0
 15 16  1  0  0  0  0
 16 13  2  0  0  0  0
 17 12  1  0  0  0  0
 18  7  1  0  0  0  0
 19 15  1  0  0  0  0
 20 19  1  0  0  0  0
 21 18  1  0  0  0  0
 22 18  1  0  0  0  0
 23 20  1  0  0  0  0
 17 15  2  0  0  0  0
  5  6  1  0  0  0  0
 11 14  1  0  0  0  0
M  END
>  <Mol_ID> (2,379)
2379

>  <Formula> (2,379)
C17H20N2O2S2

>  <MolWeight> (2,379)
348.4829

>  <COMPOUND_NAME> (2,379)
WAY-273567

>  <BAR_CODE_NO> (2,379)
391512

$$$$
WAY-273618
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -2.0125    1.7375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0125    2.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6625    1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3083    1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6625    2.8625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3083    2.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3583    2.8708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583    2.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583    3.6208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0208    1.5083    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708    1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6625    0.6125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7083    2.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917    2.4958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0208    2.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208    1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708    0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4583    2.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708    0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208    0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708    1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792    0.2333    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.6208    4.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5875    3.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083    4.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292    4.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  2  0  0  0  0
  6  4  2  0  0  0  0
  7  2  1  0  0  0  0
  8 13  1  0  0  0  0
  9  8  1  0  0  0  0
 10  4  1  0  0  0  0
 11  1  1  0  0  0  0
 12  3  2  0  0  0  0
 13  7  1  0  0  0  0
 14  8  2  0  0  0  0
 15  6  1  0  0  0  0
 16 11  1  0  0  0  0
 17 11  2  0  0  0  0
 18 10  1  0  0  0  0
 19 20  2  0  0  0  0
 20 17  1  0  0  0  0
 21 16  2  0  0  0  0
 22 19  1  0  0  0  0
 23  9  1  0  0  0  0
 24  9  1  0  0  0  0
 25 23  1  0  0  0  0
 26 24  1  0  0  0  0
 21 19  1  0  0  0  0
  5  6  1  0  0  0  0
 15 18  1  0  0  0  0
 26 25  1  0  0  0  0
M  END
>  <Mol_ID> (2,380)
2380

>  <Formula> (2,380)
C18H18ClN3O2S2

>  <MolWeight> (2,380)
407.93742

>  <COMPOUND_NAME> (2,380)
WAY-273618

>  <BAR_CODE_NO> (2,380)
391563

$$$$
WAY-273630
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -2.0125    1.7375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0125    2.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6625    1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3083    1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6625    2.8625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3083    2.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3583    2.8708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0208    1.5083    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708    1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6625    0.6125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583    2.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7083    4.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2625    5.2417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583    3.6208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583    5.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9583    5.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208    5.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0208    2.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917    2.4958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7083    2.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708    0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208    1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7083    3.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4583    2.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708    0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208    0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708    1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792    0.2333    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  2  0  0  0  0
  6  4  2  0  0  0  0
  7  2  1  0  0  0  0
  8  4  1  0  0  0  0
  9  1  1  0  0  0  0
 10  3  2  0  0  0  0
 11 20  1  0  0  0  0
 12 23  1  0  0  0  0
 13 12  1  0  0  0  0
 14 11  1  0  0  0  0
 15 12  2  0  0  0  0
 16 13  1  0  0  0  0
 17 15  1  0  0  0  0
 18  6  1  0  0  0  0
 19 11  2  0  0  0  0
 20  7  1  0  0  0  0
 21  9  2  0  0  0  0
 22  9  1  0  0  0  0
 23 14  1  0  0  0  0
 24  8  1  0  0  0  0
 25 27  1  0  0  0  0
 26 21  1  0  0  0  0
 27 22  2  0  0  0  0
 28 25  1  0  0  0  0
 26 25  2  0  0  0  0
  5  6  1  0  0  0  0
 18 24  1  0  0  0  0
 17 16  2  0  0  0  0
M  END
>  <Mol_ID> (2,381)
2381

>  <Formula> (2,381)
C19H16ClN3O3S2

>  <MolWeight> (2,381)
433.93164

>  <COMPOUND_NAME> (2,381)
WAY-273630

>  <BAR_CODE_NO> (2,381)
391575

$$$$
WAY-273631
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -2.0125    1.7375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0125    2.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6625    1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3083    1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6625    2.8625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3083    2.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3583    2.8708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0208    1.5083    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708    1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6625    0.6125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583    2.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583    3.6125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0208    2.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917    2.4958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2625    5.2417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7083    2.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708    0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208    1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4583    2.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708    0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7083    3.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208    0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708    1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7083    4.7417    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.5792    0.2333    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.9583    5.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583    5.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208    5.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  2  0  0  0  0
  6  4  2  0  0  0  0
  7  2  1  0  0  0  0
  8  4  1  0  0  0  0
  9  1  1  0  0  0  0
 10  3  2  0  0  0  0
 11 16  1  0  0  0  0
 12 11  1  0  0  0  0
 13  6  1  0  0  0  0
 14 11  2  0  0  0  0
 15 24  1  0  0  0  0
 16  7  1  0  0  0  0
 17  9  2  0  0  0  0
 18  9  1  0  0  0  0
 19  8  1  0  0  0  0
 20 23  1  0  0  0  0
 21 12  1  0  0  0  0
 22 17  1  0  0  0  0
 23 18  2  0  0  0  0
 24 21  1  0  0  0  0
 25 20  1  0  0  0  0
 26 15  1  0  0  0  0
 27 24  1  0  0  0  0
 28 27  1  0  0  0  0
 22 20  2  0  0  0  0
  5  6  1  0  0  0  0
 13 19  1  0  0  0  0
 28 26  1  0  0  0  0
M  END
>  <Mol_ID> (2,382)
2382

>  <Formula> (2,382)
C19H20ClN3O3S2

>  <MolWeight> (2,382)
437.9634

>  <COMPOUND_NAME> (2,382)
WAY-273631

>  <BAR_CODE_NO> (2,382)
391576

$$$$
WAY-273657
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -2.0125    1.7375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0125    2.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6625    1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3083    1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6625    2.8625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3083    2.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3583    2.8708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0208    1.5083    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708    1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6625    0.6125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583    2.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7083    4.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2625    5.2417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583    3.6208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583    5.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9583    5.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208    5.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0208    2.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917    2.4958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7083    2.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708    0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208    1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7083    3.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4583    2.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708    0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208    0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708    1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792    0.2333    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  2  0  0  0  0
  6  4  2  0  0  0  0
  7  2  1  0  0  0  0
  8  4  1  0  0  0  0
  9  1  1  0  0  0  0
 10  3  2  0  0  0  0
 11 20  1  0  0  0  0
 12 23  1  0  0  0  0
 13 12  1  0  0  0  0
 14 11  1  0  0  0  0
 15 12  2  0  0  0  0
 16 13  1  0  0  0  0
 17 15  1  0  0  0  0
 18  6  1  0  0  0  0
 19 11  2  0  0  0  0
 20  7  1  0  0  0  0
 21  9  2  0  0  0  0
 22  9  1  0  0  0  0
 23 14  1  0  0  0  0
 24  8  1  0  0  0  0
 25 27  1  0  0  0  0
 26 21  1  0  0  0  0
 27 22  2  0  0  0  0
 28 25  1  0  0  0  0
 26 25  2  0  0  0  0
  5  6  1  0  0  0  0
 18 24  1  0  0  0  0
 17 16  2  0  0  0  0
M  END
>  <Mol_ID> (2,383)
2383

>  <Formula> (2,383)
C19H16BrN3O3S2

>  <MolWeight> (2,383)
478.38264

>  <COMPOUND_NAME> (2,383)
WAY-273657

>  <BAR_CODE_NO> (2,383)
391602

$$$$
WAY-273658
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -2.0125    1.7375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0125    2.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6625    1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3083    1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6625    2.8625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3083    2.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3583    2.8708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0208    1.5083    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708    1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6625    0.6125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583    2.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583    3.6125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0208    2.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917    2.4958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2625    5.2417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7083    2.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708    0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208    1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4583    2.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708    0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7083    3.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208    0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708    1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7083    4.7417    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.5792    0.2333    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.9583    5.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583    5.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208    5.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  2  0  0  0  0
  6  4  2  0  0  0  0
  7  2  1  0  0  0  0
  8  4  1  0  0  0  0
  9  1  1  0  0  0  0
 10  3  2  0  0  0  0
 11 16  1  0  0  0  0
 12 11  1  0  0  0  0
 13  6  1  0  0  0  0
 14 11  2  0  0  0  0
 15 24  1  0  0  0  0
 16  7  1  0  0  0  0
 17  9  2  0  0  0  0
 18  9  1  0  0  0  0
 19  8  1  0  0  0  0
 20 23  1  0  0  0  0
 21 12  1  0  0  0  0
 22 17  1  0  0  0  0
 23 18  2  0  0  0  0
 24 21  1  0  0  0  0
 25 20  1  0  0  0  0
 26 15  1  0  0  0  0
 27 24  1  0  0  0  0
 28 27  1  0  0  0  0
 22 20  2  0  0  0  0
  5  6  1  0  0  0  0
 13 19  1  0  0  0  0
 28 26  1  0  0  0  0
M  END
>  <Mol_ID> (2,384)
2384

>  <Formula> (2,384)
C19H20BrN3O3S2

>  <MolWeight> (2,384)
482.4144

>  <COMPOUND_NAME> (2,384)
WAY-273658

>  <BAR_CODE_NO> (2,384)
391603

$$$$
WAY-273668
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -2.0125    1.7375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0125    2.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6625    1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3083    1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6625    2.8625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3083    2.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417    3.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000    3.6083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3583    2.8708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2250    4.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0208    1.5083    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1500    2.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708    1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583    2.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917    2.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6625    0.6125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9750    4.3292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0208    2.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7083    2.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208    1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708    0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4583    2.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708    0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8500    4.9792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708    1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208    0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792    0.2333    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.2250    5.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  2  0  0  0  0
  6  4  2  0  0  0  0
  7  8  1  0  0  0  0
  8 14  1  0  0  0  0
  9  2  1  0  0  0  0
 10  7  1  0  0  0  0
 11  4  1  0  0  0  0
 12 15  1  0  0  0  0
 13  1  1  0  0  0  0
 14 19  1  0  0  0  0
 15 14  2  0  0  0  0
 16  3  2  0  0  0  0
 17 10  2  0  0  0  0
 18  6  1  0  0  0  0
 19  9  1  0  0  0  0
 20 13  1  0  0  0  0
 21 13  2  0  0  0  0
 22 11  1  0  0  0  0
 23 26  2  0  0  0  0
 24 10  1  0  0  0  0
 25 20  2  0  0  0  0
 26 21  1  0  0  0  0
 27 23  1  0  0  0  0
 28 24  1  0  0  0  0
 25 23  1  0  0  0  0
  5  6  1  0  0  0  0
 18 22  1  0  0  0  0
 12  7  2  0  0  0  0
M  END
>  <Mol_ID> (2,385)
2385

>  <Formula> (2,385)
C19H15BrN2O4S2

>  <MolWeight> (2,385)
479.3674

>  <COMPOUND_NAME> (2,385)
WAY-273668

>  <BAR_CODE_NO> (2,385)
391613

$$$$
WAY-273698
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -2.0125    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208    2.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833    1.5958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7500    2.4583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2833    1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6125    0.7375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9958    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2250    1.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208    2.8583    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0375    0.3208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458    1.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5000    2.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    3.5708    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.9583    1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4833    3.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500    4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2333    2.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4583    1.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9833    3.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  4  1  0  0  0  0
  4  6  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  7  1  0  0  0  0
 10  3  1  0  0  0  0
 11  6  2  0  0  0  0
 12  4  1  0  0  0  0
 13  8  1  0  0  0  0
 14 10  1  0  0  0  0
 15  9  1  0  0  0  0
 16 14  1  0  0  0  0
 17 14  1  0  0  0  0
 18 13  2  0  0  0  0
 19 15  2  0  0  0  0
 20 16  1  0  0  0  0
  8  9  2  0  0  0  0
  3  5  2  0  0  0  0
 19 18  1  0  0  0  0
M  END
>  <Mol_ID> (2,386)
2386

>  <Formula> (2,386)
C15H17N3OS

>  <MolWeight> (2,386)
287.37998

>  <COMPOUND_NAME> (2,386)
WAY-273698

>  <BAR_CODE_NO> (2,386)
391643

$$$$
WAY-273710
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -2.0125    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833    1.5958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2833    1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7500    2.4583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208    2.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6125    0.7375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9958    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2250    1.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208    2.8583    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0375    0.3208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500    4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792    3.9833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    3.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458    1.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4875    4.8292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5000    2.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9583    1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0125    5.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2333    2.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4583    1.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208    6.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  7  1  0  0  0  0
 10  6  1  0  0  0  0
 11  4  2  0  0  0  0
 12 14  1  0  0  0  0
 13 12  2  0  0  0  0
 14 10  1  0  0  0  0
 15  3  1  0  0  0  0
 16 12  1  0  0  0  0
 17  8  1  0  0  0  0
 18  9  1  0  0  0  0
 19 16  1  0  0  0  0
 20 17  2  0  0  0  0
 21 18  2  0  0  0  0
 22 19  1  0  0  0  0
  8  9  2  0  0  0  0
  6  5  2  0  0  0  0
 21 20  1  0  0  0  0
M  END
>  <Mol_ID> (2,387)
2387

>  <Formula> (2,387)
C15H15N3O3S

>  <MolWeight> (2,387)
317.3629

>  <COMPOUND_NAME> (2,387)
WAY-273710

>  <BAR_CODE_NO> (2,387)
391655

$$$$
WAY-273813
csChFnd80/06171916322D

 34 38  0  0  0  0  0  0  0  0999 V2000
   -2.0125    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833    1.5958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2833    1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208    2.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7500    2.4583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6125    0.7375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9958    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0125    5.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708    6.1292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2250    1.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7417    5.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208    2.8583    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4875    4.8292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6167    6.4417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0500    1.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1125    5.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500    4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0375    0.3208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792    3.9833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    3.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4500    1.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1792    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167    1.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1792    1.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5000    2.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9583    1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1542    0.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8625    5.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6625    1.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2333    2.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4583    1.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3875    1.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8  3  1  0  0  0  0
  9 14  1  0  0  0  0
 10  9  2  0  0  0  0
 11  7  1  0  0  0  0
 12  9  1  0  0  0  0
 13  5  1  0  0  0  0
 14 18  1  0  0  0  0
 15 10  1  0  0  0  0
 16  2  1  0  0  0  0
 17 12  2  0  0  0  0
 18 21  1  0  0  0  0
 19  4  2  0  0  0  0
 20 18  2  0  0  0  0
 21 13  1  0  0  0  0
 22 16  1  0  0  0  0
 23 16  2  0  0  0  0
 24 25  2  0  0  0  0
 25 23  1  0  0  0  0
 26 22  2  0  0  0  0
 27  8  1  0  0  0  0
 28 11  1  0  0  0  0
 29 24  1  0  0  0  0
 30 17  1  0  0  0  0
 31 29  1  0  0  0  0
 32 27  2  0  0  0  0
 33 28  2  0  0  0  0
 34 31  1  0  0  0  0
  8 11  2  0  0  0  0
  5  6  2  0  0  0  0
 33 32  1  0  0  0  0
 26 24  1  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <Mol_ID> (2,388)
2388

>  <Formula> (2,388)
C24H21N5O4S

>  <MolWeight> (2,388)
475.51964

>  <COMPOUND_NAME> (2,388)
WAY-273813

>  <BAR_CODE_NO> (2,388)
391758

$$$$
WAY-273881
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -3.1583    2.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5083    2.8583    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.8583    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5083    1.3583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8583    2.4833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8000    2.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5083    3.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2083    1.3583    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5083    5.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8000    3.6083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8625    3.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    3.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    4.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8625    4.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8000    1.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5000    5.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4583    2.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4583    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8500    6.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1500    6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  6  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8  3  1  0  0  0  0
  9  4  2  0  0  0  0
 10 14  1  0  0  0  0
 11  7  2  0  0  0  0
 12  8  2  0  0  0  0
 13  8  1  0  0  0  0
 14 13  2  0  0  0  0
 15 12  1  0  0  0  0
 16  2  1  0  0  0  0
 17 10  1  0  0  0  0
 18  7  1  0  0  0  0
 19 18  1  0  0  0  0
 20 17  1  0  0  0  0
 21 17  1  0  0  0  0
  4  5  1  0  0  0  0
 16 19  1  0  0  0  0
 10 15  2  0  0  0  0
M  END
>  <Mol_ID> (2,389)
2389

>  <Formula> (2,389)
C17H20N2OS

>  <MolWeight> (2,389)
300.4185

>  <COMPOUND_NAME> (2,389)
WAY-273881

>  <BAR_CODE_NO> (2,389)
391826

$$$$
WAY-273887
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -3.1583    2.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5083    2.8583    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.8583    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5083    1.3583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8583    2.4833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8000    2.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5083    3.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2083    1.3583    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8000    3.6083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    3.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8625    3.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8000    1.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    4.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8625    4.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5083    5.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4583    2.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4583    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5000    5.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1458    6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  6  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8  3  1  0  0  0  0
  9  4  2  0  0  0  0
 10  7  2  0  0  0  0
 11  8  1  0  0  0  0
 12  8  2  0  0  0  0
 13  2  1  0  0  0  0
 14 11  2  0  0  0  0
 15 12  1  0  0  0  0
 16 15  2  0  0  0  0
 17  7  1  0  0  0  0
 18 17  1  0  0  0  0
 19 16  1  0  0  0  0
 20 19  1  0  0  0  0
  4  5  1  0  0  0  0
 13 18  1  0  0  0  0
 16 14  1  0  0  0  0
M  END
>  <Mol_ID> (2,390)
2390

>  <Formula> (2,390)
C16H18N2OS

>  <MolWeight> (2,390)
286.39192

>  <COMPOUND_NAME> (2,390)
WAY-273887

>  <BAR_CODE_NO> (2,390)
391832

$$$$
WAY-273972
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -2.0125    2.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500    3.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6125    1.9958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2250    2.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9958    3.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0375    2.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458    2.7333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2958    2.2208    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.1292    1.7833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042    3.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6000    1.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2458    0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2333    0.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9583    2.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5000    3.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208    1.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2250    2.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3417    3.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4583    2.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2333    3.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8917    4.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7750    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042    4.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  1  1  0  0  0  0
  9  6  2  0  0  0  0
 10  6  1  0  0  0  0
 11  3  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14  4  1  0  0  0  0
 15  5  1  0  0  0  0
 16  8  1  0  0  0  0
 17 10  2  0  0  0  0
 18 10  1  0  0  0  0
 19 14  2  0  0  0  0
 20 15  2  0  0  0  0
 21 18  2  0  0  0  0
 22 17  1  0  0  0  0
 23 21  1  0  0  0  0
  4  5  2  0  0  0  0
 20 19  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (2,391)
2391

>  <Formula> (2,391)
C19H19N3O

>  <MolWeight> (2,391)
305.37366

>  <COMPOUND_NAME> (2,391)
WAY-273972

>  <BAR_CODE_NO> (2,391)
391917

$$$$
WAY-274003
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -2.6125    1.9958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500    3.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0125    2.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2250    2.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9958    3.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2250    2.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6000    1.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667    3.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3917    2.0833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5125    3.0333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4792    3.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    4.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8542    4.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2958    2.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1417    4.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0250    3.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4000    4.8542    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9583    2.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5000    3.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2458    0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333    2.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458    2.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9000    1.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2333    0.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4583    2.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2333    3.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6 10  1  0  0  0  0
  7  1  1  0  0  0  0
  8  6  1  0  0  0  0
  9  6  2  0  0  0  0
 10 21  1  0  0  0  0
 11  8  2  0  0  0  0
 12  8  1  0  0  0  0
 13 15  1  0  0  0  0
 14  3  1  0  0  0  0
 15 12  2  0  0  0  0
 16 11  1  0  0  0  0
 17 13  1  0  0  0  0
 18  4  1  0  0  0  0
 19  5  1  0  0  0  0
 20  7  1  0  0  0  0
 21 22  1  0  0  0  0
 22 14  1  0  0  0  0
 23 20  1  0  0  0  0
 24 20  1  0  0  0  0
 25 18  2  0  0  0  0
 26 25  1  0  0  0  0
  2  5  1  0  0  0  0
 19 26  2  0  0  0  0
 16 13  2  0  0  0  0
M  END
>  <Mol_ID> (2,392)
2392

>  <Formula> (2,392)
C21H24FN3O

>  <MolWeight> (2,392)
353.4331632

>  <COMPOUND_NAME> (2,392)
WAY-274003

>  <BAR_CODE_NO> (2,392)
391948

$$$$
WAY-274010
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -2.7125    2.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5375    2.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2333    3.0833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4583    1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7958    1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1250    1.1458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5375    2.6458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9250    3.5250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6750    1.3708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0833    4.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208    3.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2083    1.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7583    0.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1208    0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9833    1.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458    4.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958    5.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5458    0.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1500    0.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833    5.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  2  2  0  0  0  0
  6  4  1  0  0  0  0
  7  3  2  0  0  0  0
  8  3  2  0  0  0  0
  9  3  1  0  0  0  0
 10  5  1  0  0  0  0
 11  4  1  0  0  0  0
 12  9  1  0  0  0  0
 13  9  2  0  0  0  0
 14 10  2  0  0  0  0
 15 10  1  0  0  0  0
 16 11  1  0  0  0  0
 17 16  1  0  0  0  0
 18 14  1  0  0  0  0
 19 13  1  0  0  0  0
 20 12  2  0  0  0  0
 21 15  2  0  0  0  0
 22 21  1  0  0  0  0
 23 19  2  0  0  0  0
  6  5  1  0  0  0  0
 20 23  1  0  0  0  0
 22 18  2  0  0  0  0
M  END
>  <Mol_ID> (2,393)
2393

>  <Formula> (2,393)
C17H15NO3S2

>  <MolWeight> (2,393)
345.4359

>  <COMPOUND_NAME> (2,393)
WAY-274010

>  <BAR_CODE_NO> (2,393)
391955

$$$$
WAY-274011
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -0.5999    0.0106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0999   -1.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4449    1.1658    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1033    0.0106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4068   -2.3652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4035   -1.9031    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5035    2.3003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6999    2.1486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6001    0.0969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6033   -1.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5656   -0.8618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0035    3.7658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0139    2.0106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0033   -2.1169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0139   -1.3066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1070    4.9175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0622    3.1037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9551   -3.6204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3585   -1.3652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4104   -2.7514    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0691   -0.1997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5656    4.5589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2620   -4.4411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6654   -2.2100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6104    5.6865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6171   -3.7169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  3  9  2  0  0  0  0
  4 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 18  2  0  0  0  0
 14 19  1  0  0  0  0
 15 20  1  0  0  0  0
 15 21  2  0  0  0  0
 16 22  1  0  0  0  0
 18 23  1  0  0  0  0
 19 24  2  0  0  0  0
 22 25  1  0  0  0  0
 23 26  2  0  0  0  0
  5 10  1  0  0  0  0
 17 22  2  0  0  0  0
 24 26  1  0  0  0  0
M  END
>  <Mol_ID> (2,394)
2394

>  <Formula> (2,394)
C18H16N2O4S2

>  <MolWeight> (2,394)
388.46064

>  <COMPOUND_NAME> (2,394)
WAY-274011

>  <BAR_CODE_NO> (2,394)
391956

$$$$
WAY-274012
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    0.0248   -0.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3179   -1.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8110    0.5759    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0856   -0.1448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6270   -1.8828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3765   -1.7000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6110    1.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0248    1.3586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6041   -0.2103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4787   -1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2558   -0.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6937    1.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3110    2.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5304   -1.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4834    1.8828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0972    3.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3683   -0.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7649   -2.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1937    2.9586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4339   -1.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8407   -2.9414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0075    3.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6821   -2.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  3  9  2  0  0  0  0
  4 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  2  0  0  0  0
 10 14  1  0  0  0  0
 12 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  2  0  0  0  0
 19 22  1  0  0  0  0
 20 23  2  0  0  0  0
  5 10  1  0  0  0  0
 16 19  2  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (2,395)
2395

>  <Formula> (2,395)
C17H15NO3S2

>  <MolWeight> (2,395)
345.4359

>  <COMPOUND_NAME> (2,395)
WAY-274012

>  <BAR_CODE_NO> (2,395)
391957

$$$$
WAY-274014
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -2.7125    2.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5375    2.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2333    3.0833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4583    1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7958    1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1250    1.1458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6750    1.3708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9250    3.5250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5375    2.6458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1208    0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9000    0.2708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0833    4.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208    3.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9500   -0.7917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833    5.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958    5.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458    4.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958    5.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -5.2083    1.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7583    0.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9833    1.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5458    0.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1500    0.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  2  2  0  0  0  0
  6  4  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  1  0  0  0  0
  9  3  2  0  0  0  0
 10  3  2  0  0  0  0
 11 16  1  0  0  0  0
 12  5  1  0  0  0  0
 13 11  2  0  0  0  0
 14  7  1  0  0  0  0
 15  7  2  0  0  0  0
 16  8  1  0  0  0  0
 17 11  1  0  0  0  0
 18 20  2  0  0  0  0
 19 14  2  0  0  0  0
 20 15  1  0  0  0  0
 21 18  1  0  0  0  0
 22 12  2  0  0  0  0
 23 12  1  0  0  0  0
 24 22  1  0  0  0  0
 25 23  2  0  0  0  0
 26 25  1  0  0  0  0
  6  5  1  0  0  0  0
 19 18  1  0  0  0  0
 26 24  2  0  0  0  0
M  END
>  <Mol_ID> (2,396)
2396

>  <Formula> (2,396)
C17H13ClN2O4S2

>  <MolWeight> (2,396)
408.87912

>  <COMPOUND_NAME> (2,396)
WAY-274014

>  <BAR_CODE_NO> (2,396)
391959

$$$$
WAY-274020
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -2.7125    2.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5375    2.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2333    3.0833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4583    1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7958    1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1250    1.1458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6750    1.3708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5375    2.6458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9250    3.5250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1208    0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9000    0.2708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7583    0.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1958    1.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9500   -0.7917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1292    0.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9708    1.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5375    0.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9292    0.6000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0833    4.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208    3.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958    5.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458    4.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833    5.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  2  2  0  0  0  0
  6  4  1  0  0  0  0
  7  4  1  0  0  0  0
  8  3  2  0  0  0  0
  9  3  2  0  0  0  0
 10  5  1  0  0  0  0
 11  3  1  0  0  0  0
 12 14  1  0  0  0  0
 13 12  2  0  0  0  0
 14  7  1  0  0  0  0
 15 10  1  0  0  0  0
 16 10  2  0  0  0  0
 17 12  1  0  0  0  0
 18 19  2  0  0  0  0
 19 16  1  0  0  0  0
 20 15  2  0  0  0  0
 21 18  1  0  0  0  0
 22 11  1  0  0  0  0
 23 11  2  0  0  0  0
 24 22  2  0  0  0  0
 25 23  1  0  0  0  0
 26 25  2  0  0  0  0
  6  5  1  0  0  0  0
 24 26  1  0  0  0  0
 20 18  1  0  0  0  0
M  END
>  <Mol_ID> (2,397)
2397

>  <Formula> (2,397)
C17H13FN2O4S2

>  <MolWeight> (2,397)
392.4245232

>  <COMPOUND_NAME> (2,397)
WAY-274020

>  <BAR_CODE_NO> (2,397)
391965

$$$$
WAY-274023
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -2.7125    2.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5375    2.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2333    3.0833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4583    1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7958    1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1250    1.1458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6750    1.3708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9250    3.5250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5375    2.6458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1208    0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9000    0.2708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0833    4.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208    3.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7583    0.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1958    1.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9500   -0.7917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833    5.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1292    0.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958    5.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9708    1.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458    4.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5375    0.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9292    0.6000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958    5.7500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  2  2  0  0  0  0
  6  4  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  1  0  0  0  0
  9  3  2  0  0  0  0
 10  3  2  0  0  0  0
 11  5  1  0  0  0  0
 12 16  1  0  0  0  0
 13 12  2  0  0  0  0
 14  7  1  0  0  0  0
 15  7  2  0  0  0  0
 16  8  1  0  0  0  0
 17 11  1  0  0  0  0
 18 11  2  0  0  0  0
 19 12  1  0  0  0  0
 20 24  2  0  0  0  0
 21 23  2  0  0  0  0
 22 14  2  0  0  0  0
 23 18  1  0  0  0  0
 24 15  1  0  0  0  0
 25 17  2  0  0  0  0
 26 21  1  0  0  0  0
 27 20  1  0  0  0  0
  6  5  1  0  0  0  0
 22 20  1  0  0  0  0
 21 25  1  0  0  0  0
M  END
>  <Mol_ID> (2,398)
2398

>  <Formula> (2,398)
C17H12F2N2O4S2

>  <MolWeight> (2,398)
410.4149864

>  <COMPOUND_NAME> (2,398)
WAY-274023

>  <BAR_CODE_NO> (2,398)
391968

$$$$
WAY-274024
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -2.7125    2.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5375    2.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2333    3.0833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4583    1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7958    1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1250    1.1458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9250    3.5250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5375    2.6458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6750    1.3708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0833    4.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208    3.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1958    1.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7583    0.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833    5.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1292    0.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958    5.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9708    1.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458    4.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5375    0.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9292    0.6000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958    5.7500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  2  2  0  0  0  0
  6  4  1  0  0  0  0
  7  3  1  0  0  0  0
  8  3  2  0  0  0  0
  9  3  2  0  0  0  0
 10  5  1  0  0  0  0
 11  4  1  0  0  0  0
 12  7  1  0  0  0  0
 13  7  2  0  0  0  0
 14 10  2  0  0  0  0
 15 10  1  0  0  0  0
 16 20  2  0  0  0  0
 17 21  1  0  0  0  0
 18 12  2  0  0  0  0
 19 14  1  0  0  0  0
 20 13  1  0  0  0  0
 21 15  2  0  0  0  0
 22 17  1  0  0  0  0
 23 16  1  0  0  0  0
 24 11  1  0  0  0  0
  6  5  1  0  0  0  0
 18 16  1  0  0  0  0
 17 19  2  0  0  0  0
M  END
>  <Mol_ID> (2,399)
2399

>  <Formula> (2,399)
C16H11F2NO3S2

>  <MolWeight> (2,399)
367.3902464

>  <COMPOUND_NAME> (2,399)
WAY-274024

>  <BAR_CODE_NO> (2,399)
391969

$$$$
WAY-274027
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -2.7125    2.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5375    2.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2333    3.0833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4583    1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7958    1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1250    1.1458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9250    3.5250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5375    2.6458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8458    0.5833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2583    1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6750    1.3708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6583    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9208    1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0833    4.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208    3.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458    4.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958    5.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833    5.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  2  2  0  0  0  0
  6  4  1  0  0  0  0
  7  5  1  0  0  0  0
  8  3  2  0  0  0  0
  9  3  2  0  0  0  0
 10  3  1  0  0  0  0
 11  7  1  0  0  0  0
 12  7  2  0  0  0  0
 13  4  1  0  0  0  0
 14 11  1  0  0  0  0
 15 12  1  0  0  0  0
 16 10  1  0  0  0  0
 17 10  2  0  0  0  0
 18 13  1  0  0  0  0
 19 17  1  0  0  0  0
 20 16  2  0  0  0  0
 21 19  2  0  0  0  0
  6  5  1  0  0  0  0
 20 21  1  0  0  0  0
 14 15  2  0  0  0  0
M  END
>  <Mol_ID> (2,400)
2400

>  <Formula> (2,400)
C14H11NO4S2

>  <MolWeight> (2,400)
321.37144

>  <COMPOUND_NAME> (2,400)
WAY-274027

>  <BAR_CODE_NO> (2,400)
391972

$$$$
WAY-274028
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -2.7125    2.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5375    2.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2333    3.0833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4583    1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7958    1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1250    1.1458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9250    3.5250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5375    2.6458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8458    0.5833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2583    1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6750    1.3708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6583    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9208    1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0833    4.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208    3.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1208    0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958    5.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458    4.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833    5.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  2  2  0  0  0  0
  6  4  1  0  0  0  0
  7  5  1  0  0  0  0
  8  3  2  0  0  0  0
  9  3  2  0  0  0  0
 10  3  1  0  0  0  0
 11  7  1  0  0  0  0
 12  7  2  0  0  0  0
 13  4  1  0  0  0  0
 14 11  1  0  0  0  0
 15 12  1  0  0  0  0
 16 10  1  0  0  0  0
 17 10  2  0  0  0  0
 18 13  1  0  0  0  0
 19 18  1  0  0  0  0
 20 16  2  0  0  0  0
 21 17  1  0  0  0  0
 22 21  2  0  0  0  0
  6  5  1  0  0  0  0
 20 22  1  0  0  0  0
 14 15  2  0  0  0  0
M  END
>  <Mol_ID> (2,401)
2401

>  <Formula> (2,401)
C15H13NO4S2

>  <MolWeight> (2,401)
335.39802

>  <COMPOUND_NAME> (2,401)
WAY-274028

>  <BAR_CODE_NO> (2,401)
391973

$$$$
WAY-274029
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -2.7125    2.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5375    2.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2333    3.0833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4583    1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7958    1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1250    1.1458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9250    3.5250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5375    2.6458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8458    0.5833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2583    1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6750    1.3708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6583    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9208    1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0833    4.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208    3.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1208    0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9000    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458    4.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958    5.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833    5.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  2  2  0  0  0  0
  6  4  1  0  0  0  0
  7  5  1  0  0  0  0
  8  3  2  0  0  0  0
  9  3  2  0  0  0  0
 10  3  1  0  0  0  0
 11  7  1  0  0  0  0
 12  7  2  0  0  0  0
 13  4  1  0  0  0  0
 14 11  1  0  0  0  0
 15 12  1  0  0  0  0
 16 10  1  0  0  0  0
 17 10  2  0  0  0  0
 18 13  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 17  1  0  0  0  0
 22 16  2  0  0  0  0
 23 21  2  0  0  0  0
  6  5  1  0  0  0  0
 22 23  1  0  0  0  0
 14 15  2  0  0  0  0
M  END
>  <Mol_ID> (2,402)
2402

>  <Formula> (2,402)
C16H15NO4S2

>  <MolWeight> (2,402)
349.4246

>  <COMPOUND_NAME> (2,402)
WAY-274029

>  <BAR_CODE_NO> (2,402)
391974

$$$$
WAY-274033
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -2.7125    2.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5375    2.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2333    3.0833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4583    1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7958    1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1250    1.1458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5375    2.6458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9250    3.5250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8458    0.5833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2583    1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6750    1.3708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6583    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9208    1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0833    4.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208    3.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833    5.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958    5.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458    4.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958    5.7500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1208    0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  2  2  0  0  0  0
  6  4  1  0  0  0  0
  7  5  1  0  0  0  0
  8  3  1  0  0  0  0
  9  3  2  0  0  0  0
 10  3  2  0  0  0  0
 11  7  1  0  0  0  0
 12  7  2  0  0  0  0
 13  4  1  0  0  0  0
 14 11  1  0  0  0  0
 15 12  1  0  0  0  0
 16  8  1  0  0  0  0
 17  8  2  0  0  0  0
 18 20  2  0  0  0  0
 19 16  2  0  0  0  0
 20 17  1  0  0  0  0
 21 18  1  0  0  0  0
 22 13  1  0  0  0  0
 23 22  1  0  0  0  0
  6  5  1  0  0  0  0
 19 18  1  0  0  0  0
 14 15  2  0  0  0  0
M  END
>  <Mol_ID> (2,403)
2403

>  <Formula> (2,403)
C15H12FNO4S2

>  <MolWeight> (2,403)
353.3884832

>  <COMPOUND_NAME> (2,403)
WAY-274033

>  <BAR_CODE_NO> (2,403)
391978

$$$$
WAY-274060
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
    6.6375   -8.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3667   -7.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9667   -9.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8542   -7.2417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6917   -7.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0875   -6.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5417   -7.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2875   -8.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4375   -8.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6417   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9250   -6.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1292   -7.9250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0417   -8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0417   -5.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3250   -5.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6292   -9.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8750   -5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1667   -5.6875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.9792   -7.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8042   -5.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4750   -8.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0167  -10.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4917   -6.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1667   -7.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9167   -8.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2042  -11.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  2  1  0  0  0  0
  8  3  1  0  0  0  0
  9  1  1  0  0  0  0
 10  6  2  0  0  0  0
 11  6  1  0  0  0  0
 12  5  2  0  0  0  0
 13  9  2  0  0  0  0
 14 10  1  0  0  0  0
 15 11  2  0  0  0  0
 16  9  1  0  0  0  0
 17 15  1  0  0  0  0
 18 15  1  0  0  0  0
 19  7  1  0  0  0  0
 20 10  1  0  0  0  0
 21  8  1  0  0  0  0
 22 16  1  0  0  0  0
 23 20  1  0  0  0  0
 24 19  2  0  0  0  0
 25 21  2  0  0  0  0
 26 22  1  0  0  0  0
  7  8  2  0  0  0  0
 25 24  1  0  0  0  0
 17 14  2  0  0  0  0
M  END
>  <Mol_ID> (2,404)
2404

>  <Formula> (2,404)
C19H17ClN2O4

>  <MolWeight> (2,404)
372.80228

>  <COMPOUND_NAME> (2,404)
WAY-274060

>  <BAR_CODE_NO> (2,404)
392005

$$$$
WAY-274151
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -2.2500    2.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8125    2.9583    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0125    1.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9958    2.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6125    1.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3750    3.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2250    1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6250    3.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1958    2.5208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4333    3.3958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958    4.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083    2.8333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542    4.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917    4.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6000    0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5000    2.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7417    4.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9583    1.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6292    3.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792    3.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625    3.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1792    5.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2333    2.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4583    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  4  2  0  0  0  0
  8  6  1  0  0  0  0
  9  2  2  0  0  0  0
 10  2  2  0  0  0  0
 11  8  1  0  0  0  0
 12  8  2  0  0  0  0
 13 11  1  0  0  0  0
 14 13  1  0  0  0  0
 15  5  1  0  0  0  0
 16  4  1  0  0  0  0
 17 14  2  0  0  0  0
 18  7  1  0  0  0  0
 19 20  1  0  0  0  0
 20 13  2  0  0  0  0
 21 19  2  0  0  0  0
 22 17  1  0  0  0  0
 23 16  2  0  0  0  0
 24 23  1  0  0  0  0
  5  7  1  0  0  0  0
 18 24  2  0  0  0  0
 21 17  1  0  0  0  0
M  END
>  <Mol_ID> (2,405)
2405

>  <Formula> (2,405)
C18H18N2O3S

>  <MolWeight> (2,405)
342.41212

>  <COMPOUND_NAME> (2,405)
WAY-274151

>  <BAR_CODE_NO> (2,405)
392096

$$$$
WAY-274188
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -2.2500    2.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8125    2.9583    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6125    1.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0125    1.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9958    2.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3750    3.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2250    1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6250    3.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958    4.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4333    3.3958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1958    2.5208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6000    0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083    2.8333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2458    0.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5458   -0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5000    2.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2083   -1.0917    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2333   -0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9000    0.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8750   -1.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5500    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542    4.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083    4.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9583    1.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2333    2.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0750    5.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917    4.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4583    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6750    5.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  2  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  5  2  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  2  2  0  0  0  0
 11  2  2  0  0  0  0
 12  3  1  0  0  0  0
 13  8  2  0  0  0  0
 14 12  1  0  0  0  0
 15 21  2  0  0  0  0
 16  5  1  0  0  0  0
 17 15  1  0  0  0  0
 18 14  1  0  0  0  0
 19 14  2  0  0  0  0
 20 18  2  0  0  0  0
 21 19  1  0  0  0  0
 22  9  1  0  0  0  0
 23  9  1  0  0  0  0
 24  7  1  0  0  0  0
 25 16  2  0  0  0  0
 26 23  1  0  0  0  0
 27 22  1  0  0  0  0
 28 25  1  0  0  0  0
 29 26  1  0  0  0  0
  3  7  1  0  0  0  0
 24 28  2  0  0  0  0
 15 20  1  0  0  0  0
 29 27  1  0  0  0  0
M  END
>  <Mol_ID> (2,406)
2406

>  <Formula> (2,406)
C22H23FN2O3S

>  <MolWeight> (2,406)
414.4930232

>  <COMPOUND_NAME> (2,406)
WAY-274188

>  <BAR_CODE_NO> (2,406)
392133

$$$$
WAY-277028
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    0.3500   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1500   -0.4375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4500    0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9875   -0.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6500   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542    0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4708    0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0375    0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000   -0.1542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500   -0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292    0.6333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5708    0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3625    0.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8500   -1.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.1625    0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0208    0.2708    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.4042    0.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0500   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0708    0.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4708    0.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458   -0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8375   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2167   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  2  0  0  0  0
  7  6  1  0  0  0  0
  8  3  1  0  0  0  0
  9  5  1  0  0  0  0
 10  8  1  0  0  0  0
 11  3  2  0  0  0  0
 12  9  1  0  0  0  0
 13 18  1  0  0  0  0
 14 10  1  0  0  0  0
 15 12  1  0  0  0  0
 16 13  1  0  0  0  0
 17  8  2  0  0  0  0
 18 21  2  0  0  0  0
 19 20  1  0  0  0  0
 20 15  2  0  0  0  0
 21 15  1  0  0  0  0
 22 10  2  0  0  0  0
 23 17  1  0  0  0  0
 24 23  2  0  0  0  0
  5  7  2  0  0  0  0
 22 24  1  0  0  0  0
 19 13  2  0  0  0  0
M  END
>  <Mol_ID> (2,407)
2407

>  <Formula> (2,407)
C16H11BrClN3OS2

>  <MolWeight> (2,407)
440.76504

>  <COMPOUND_NAME> (2,407)
WAY-277028

>  <BAR_CODE_NO> (2,407)
389727

$$$$
WAY-277104
csChFnd80/06171916322D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -3.0418    1.0692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2073   -0.1067    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4211    1.0692    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5694    2.3243    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8245   -0.1067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8418    2.3761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7004    3.1623    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0832   -1.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1349    1.1002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1521    2.8761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3065   -1.3653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0479   -0.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9962   -2.5619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4582   -0.1722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4237   -2.5826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1099   -1.4101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5099   -1.4860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1237   -2.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
  6  7  2  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <Mol_ID> (2,408)
2408

>  <Formula> (2,408)
C12H13N3O2S

>  <MolWeight> (2,408)
263.31552

>  <COMPOUND_NAME> (2,408)
WAY-277104

>  <BAR_CODE_NO> (2,408)
389803

$$$$
WAY-277216
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
    3.8125   -2.1375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6417   -2.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0792   -1.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4792   -2.2792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8542   -3.0167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6167   -1.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3667    0.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3375   -0.4500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6250    0.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875   -3.5625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0792   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8125   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1000    0.8333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8750    0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1750    0.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3500   -0.5417    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.1792   -2.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6000    0.4583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6250    1.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8750    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6125   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1750    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2833    0.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9875   -2.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2125   -1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  8  1  0  0  0  0
  8 11  1  0  0  0  0
  9  7  1  0  0  0  0
 10  2  2  0  0  0  0
 11  3  1  0  0  0  0
 12  6  2  0  0  0  0
 13  7  2  0  0  0  0
 14  9  1  0  0  0  0
 15 14  2  0  0  0  0
 16 12  1  0  0  0  0
 17  6  1  0  0  0  0
 18 15  1  0  0  0  0
 19  9  2  0  0  0  0
 20 19  1  0  0  0  0
 21 12  1  0  0  0  0
 22 20  2  0  0  0  0
 23 18  1  0  0  0  0
 24 17  2  0  0  0  0
 25 24  1  0  0  0  0
  5  4  1  0  0  0  0
 25 21  2  0  0  0  0
 22 15  1  0  0  0  0
M  END
>  <Mol_ID> (2,409)
2409

>  <Formula> (2,409)
C17H15ClN4O2S

>  <MolWeight> (2,409)
374.8446

>  <COMPOUND_NAME> (2,409)
WAY-277216

>  <BAR_CODE_NO> (2,409)
389916

$$$$
WAY-277222
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.4042   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4000   -0.3792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000    0.2333    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.5458    0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000    0.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9667   -0.6542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2292    0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292   -1.9542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000   -0.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9292    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9708    0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4625    1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8833    1.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7458    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2458    1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6833    1.5958    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.6292   -1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  1  0  0  0  0
  9  7  1  0  0  0  0
 10  7  2  0  0  0  0
 11  6  2  0  0  0  0
 12  9  1  0  0  0  0
 13 10  1  0  0  0  0
 14  8  1  0  0  0  0
 15  8  2  0  0  0  0
 16 18  2  0  0  0  0
 17 14  2  0  0  0  0
 18 15  1  0  0  0  0
 19 16  1  0  0  0  0
 20  6  1  0  0  0  0
  4  5  1  0  0  0  0
 13 12  2  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (2,410)
2410

>  <Formula> (2,410)
C15H13BrN2O2

>  <MolWeight> (2,410)
333.17992

>  <COMPOUND_NAME> (2,410)
WAY-277222

>  <BAR_CODE_NO> (2,410)
389922

$$$$
WAY-277235
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -1.8958    2.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3125    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3125    2.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708    2.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8958    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6000    2.9708    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.6000    1.3208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1000    1.4708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1000    2.8125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4625    2.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2500    2.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708    3.7958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9542    2.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6000    3.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708    1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6667    2.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2500    3.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8958    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6667    3.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9542    4.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3125    5.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8958    5.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6000    5.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  6  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  1  0  0  0  0
  7  5  1  0  0  0  0
  8  2  2  0  0  0  0
  9  3  1  0  0  0  0
 10  4  1  0  0  0  0
 11  9  2  0  0  0  0
 12 10  1  0  0  0  0
 13  4  2  0  0  0  0
 14 12  2  0  0  0  0
 15  6  1  0  0  0  0
 16  5  1  0  0  0  0
 17 14  1  0  0  0  0
 18 12  1  0  0  0  0
 19 15  1  0  0  0  0
 20 15  2  0  0  0  0
 21 22  1  0  0  0  0
 22 18  2  0  0  0  0
 23 19  2  0  0  0  0
 24 20  1  0  0  0  0
 25 24  2  0  0  0  0
  2  7  1  0  0  0  0
 11  8  1  0  0  0  0
 23 25  1  0  0  0  0
 17 21  2  0  0  0  0
M  END
>  <Mol_ID> (2,411)
2411

>  <Formula> (2,411)
C18H16N6O

>  <MolWeight> (2,411)
332.35924

>  <COMPOUND_NAME> (2,411)
WAY-277235

>  <BAR_CODE_NO> (2,411)
389935

$$$$
WAY-277237
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -1.8958    2.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3125    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3125    2.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708    2.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6000    2.9708    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.8958    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6000    1.3208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1000    1.4708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1000    2.8125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4625    2.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6000    3.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2500    2.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708    3.7958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9542    2.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8958    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6000    5.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708    1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8958    5.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3125    5.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6000    6.2542    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.6667    2.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2500    3.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6667    3.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9542    4.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  1  0  0  0  0
  3  5  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  2  0  0  0  0
  7  6  1  0  0  0  0
  8  2  2  0  0  0  0
  9  3  1  0  0  0  0
 10  4  1  0  0  0  0
 11  9  2  0  0  0  0
 12  5  1  0  0  0  0
 13 10  1  0  0  0  0
 14  4  2  0  0  0  0
 15 13  2  0  0  0  0
 16 12  1  0  0  0  0
 17 12  2  0  0  0  0
 18 20  2  0  0  0  0
 19  6  1  0  0  0  0
 20 17  1  0  0  0  0
 21 16  2  0  0  0  0
 22 18  1  0  0  0  0
 23 15  1  0  0  0  0
 24 13  1  0  0  0  0
 25 26  1  0  0  0  0
 26 24  2  0  0  0  0
  3  2  1  0  0  0  0
 18 21  1  0  0  0  0
 11  8  1  0  0  0  0
 23 25  2  0  0  0  0
M  END
>  <Mol_ID> (2,412)
2412

>  <Formula> (2,412)
C18H15BrN6O

>  <MolWeight> (2,412)
411.2553

>  <COMPOUND_NAME> (2,412)
WAY-277237

>  <BAR_CODE_NO> (2,412)
389937

$$$$
WAY-277253
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -1.7208    2.9833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0500    2.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3958    2.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3083    1.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1375    1.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208    3.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7958    2.1958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1750    2.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7458    3.2708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708    2.7458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1875    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4375    4.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958    4.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208    5.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4333    5.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000    5.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208    6.2792    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9708    2.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0208    1.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3500    2.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6333    0.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5875    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4167    0.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  2  0  0  0  0
  6  8  1  0  0  0  0
  7  1  1  0  0  0  0
  8  9  1  0  0  0  0
  9  3  1  0  0  0  0
 10  6  2  0  0  0  0
 11  2  1  0  0  0  0
 12  6  1  0  0  0  0
 13  7  1  0  0  0  0
 14  7  2  0  0  0  0
 15 17  2  0  0  0  0
 16 13  2  0  0  0  0
 17 14  1  0  0  0  0
 18 15  1  0  0  0  0
 19 12  2  0  0  0  0
 20 12  1  0  0  0  0
 21 11  1  0  0  0  0
 22 20  2  0  0  0  0
 23 19  1  0  0  0  0
 24 22  1  0  0  0  0
  5  4  1  0  0  0  0
 16 15  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (2,413)
2413

>  <Formula> (2,413)
C17H15FN4OS

>  <MolWeight> (2,413)
342.3906032

>  <COMPOUND_NAME> (2,413)
WAY-277253

>  <BAR_CODE_NO> (2,413)
389953

$$$$
WAY-277282
csChFnd80/06171916322D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -4.5333    3.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5500    2.4958    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9583    3.7333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2250    3.4958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2708    2.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6875    2.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0833    4.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7875    4.7167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5083    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5333    1.5750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2667    1.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6333    5.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8000    4.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0583    6.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2250    5.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3583    5.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  3  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
 10  5  1  0  0  0  0
 11 10  1  0  0  0  0
 12  9  1  0  0  0  0
 13  9  1  0  0  0  0
 14 12  1  0  0  0  0
 15 13  1  0  0  0  0
 16 15  1  0  0  0  0
  6  5  2  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <Mol_ID> (2,414)
2414

>  <Formula> (2,414)
C10H15N3OS2

>  <MolWeight> (2,414)
257.3756

>  <COMPOUND_NAME> (2,414)
WAY-277282

>  <BAR_CODE_NO> (2,414)
389982

$$$$
WAY-277306
csChFnd80/06171916322D

 24 28  0  0  0  0  0  0  0  0999 V2000
    0.2684    0.0121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4649    1.2413    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4524    0.4246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2726   -0.8129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0601   -1.0629    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5434   -0.3879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0476    0.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1316    1.7163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4399   -1.2379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1649   -0.0004    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1976    1.7330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1524   -0.8254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3226   -1.8462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8899    2.5038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0649    2.5080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9441    1.5288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4441    3.1080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1351   -2.0087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7726   -2.4712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5024    2.1330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2566    2.9205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3976   -2.7879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0434   -3.2504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8476   -3.4129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  4  1  0  0  0  0
  6  7  2  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  4  1  0  0  0  0
 10  3  2  0  0  0  0
 11  2  1  0  0  0  0
 12  9  2  0  0  0  0
 13  5  1  0  0  0  0
 14  8  2  0  0  0  0
 15 11  1  0  0  0  0
 16  8  1  0  0  0  0
 17 14  1  0  0  0  0
 18 13  2  0  0  0  0
 19 13  1  0  0  0  0
 20 16  2  0  0  0  0
 21 20  1  0  0  0  0
 22 18  1  0  0  0  0
 23 19  2  0  0  0  0
 24 23  1  0  0  0  0
  5  6  1  0  0  0  0
 10 12  1  0  0  0  0
 15 14  1  0  0  0  0
 22 24  2  0  0  0  0
 17 21  2  0  0  0  0
M  END
>  <Mol_ID> (2,415)
2415

>  <Formula> (2,415)
C19H15N5

>  <MolWeight> (2,415)
313.3559

>  <COMPOUND_NAME> (2,415)
WAY-277306

>  <BAR_CODE_NO> (2,415)
390006

$$$$
WAY-277349
csChFnd80/06171916322D

 29 33  0  0  0  0  0  0  0  0999 V2000
    1.7125   -0.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792   -1.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0417   -1.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1250   -1.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917   -1.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1667   -0.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7042    0.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7792   -1.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6875    1.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5750   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7125   -3.2667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8917    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6917    2.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7417   -0.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4125    1.8958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9042    2.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792   -2.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3042    0.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9875    0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6125   -2.3167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0375   -2.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1292    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7292    0.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3500   -0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4167    0.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792    0.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9750    1.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4042    1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7042    1.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  2  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  6  1  0  0  0  0
  9 18  1  0  0  0  0
 10  8  1  0  0  0  0
 11 21  1  0  0  0  0
 12 23  1  0  0  0  0
 13  9  1  0  0  0  0
 14 10  2  0  0  0  0
 15 12  1  0  0  0  0
 16 13  1  0  0  0  0
 17  4  1  0  0  0  0
 18 22  2  0  0  0  0
 19  7  1  0  0  0  0
 20  8  2  0  0  0  0
 21  5  1  0  0  0  0
 22 14  1  0  0  0  0
 23 24  2  0  0  0  0
 24 22  1  0  0  0  0
 25  7  2  0  0  0  0
 26 19  1  0  0  0  0
 27 19  2  0  0  0  0
 28 25  1  0  0  0  0
 29 28  2  0  0  0  0
  4  5  1  0  0  0  0
 11 17  1  0  0  0  0
 27 29  1  0  0  0  0
  9 12  2  0  0  0  0
 16 15  1  0  0  0  0
M  END
>  <Mol_ID> (2,416)
2416

>  <Formula> (2,416)
C22H19N3O3S

>  <MolWeight> (2,416)
405.46956

>  <COMPOUND_NAME> (2,416)
WAY-277349

>  <BAR_CODE_NO> (2,416)
390049

$$$$
WAY-277368
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
    8.0985   10.0166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0985   10.8281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5083    9.5371    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9550   10.8035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9919   10.0658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7993    9.6109    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7993   11.2339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5002   10.8281    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4714    8.7133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5002   10.0166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3648   11.3487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1600    8.2502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7296    8.3239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7952   12.0700    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3853    7.0411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6845    7.4878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1231    7.4264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3485    6.2173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9634   12.5003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5902   11.1151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5492   12.1438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5207   12.4880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2461   12.0823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6066    5.8361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5615    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9591   12.6971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   11.6642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1721   12.4634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8 10  1  0  0  0  0
  9  3  1  0  0  0  0
 10  6  2  0  0  0  0
 11  4  1  0  0  0  0
 12  9  2  0  0  0  0
 13  9  1  0  0  0  0
 14  7  1  0  0  0  0
 15 16  1  0  0  0  0
 16 13  2  0  0  0  0
 17 12  1  0  0  0  0
 18 15  1  0  0  0  0
 19 23  1  0  0  0  0
 20 11  1  0  0  0  0
 21 11  2  0  0  0  0
 22 14  1  0  0  0  0
 23 22  1  0  0  0  0
 24 18  1  0  0  0  0
 25 24  1  0  0  0  0
 26 21  1  0  0  0  0
 27 20  2  0  0  0  0
 28 26  2  0  0  0  0
  5  4  2  0  0  0  0
  7  8  2  0  0  0  0
 17 15  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (2,417)
2417

>  <Formula> (2,417)
C22H22N4O2

>  <MolWeight> (2,417)
374.43568

>  <COMPOUND_NAME> (2,417)
WAY-277368

>  <BAR_CODE_NO> (2,417)
390068

$$$$
WAY-277545
csChFnd80/06171916322D

 32 35  0  0  0  0  0  0  0  0999 V2000
    9.0669    8.3305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1965    6.2971    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.7991    9.1088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7196    8.3263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9748    9.1088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3891    7.8368    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.8577    8.0878    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.9831    6.0544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3556    8.7656    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0417    7.2761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9079    8.1506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2677    9.7824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4057    6.5439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7447   10.4435    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4183    9.7196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9831    5.5021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4099    7.1004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8325    7.0334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6150    9.5439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4309    6.7196    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7990    5.9791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2175    7.3515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0082    6.2301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4350    7.5983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5523    8.5941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5438    5.5440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1588    5.2510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5898    6.6067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3680    6.3556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9370    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    9.2175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2887    7.8159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 13  1  0  0  0  0
  3  1  2  0  0  0  0
  4  6  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9 11  1  0  0  0  0
 10  7  1  0  0  0  0
 11  4  1  0  0  0  0
 12  3  1  0  0  0  0
 13 22  1  0  0  0  0
 14 12  3  0  0  0  0
 15  5  1  0  0  0  0
 16  2  2  0  0  0  0
 17  2  2  0  0  0  0
 18 10  1  0  0  0  0
 19 15  1  0  0  0  0
 20 10  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 18  2  0  0  0  0
 24 18  1  0  0  0  0
 25  9  1  0  0  0  0
 26 29  1  0  0  0  0
 27  8  1  0  0  0  0
 28  8  1  0  0  0  0
 29 28  1  0  0  0  0
 30 27  1  0  0  0  0
 31 25  1  0  0  0  0
 32 25  1  0  0  0  0
  4  5  2  0  0  0  0
 19  9  1  0  0  0  0
 21 13  2  0  0  0  0
 30 26  1  0  0  0  0
M  END
>  <Mol_ID> (2,418)
2418

>  <Formula> (2,418)
C22H26N4O4S2

>  <MolWeight> (2,418)
474.59624

>  <COMPOUND_NAME> (2,418)
WAY-277545

>  <BAR_CODE_NO> (2,418)
390245

$$$$
WAY-277567
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -3.1750    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4333    1.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8458    2.5708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2708    1.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5208    2.0833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8458    0.0208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    1.8958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5208    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5125    2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1750    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7625    1.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8458    3.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5625   -0.3917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2333   -0.3542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833    1.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208    0.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4833    3.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542    1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167    2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667    1.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1375    3.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6625    3.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7250    4.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5125    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6 10  1  0  0  0  0
  7  1  1  0  0  0  0
  8  4  1  0  0  0  0
  9  7  1  0  0  0  0
 10  2  1  0  0  0  0
 11  9  1  0  0  0  0
 12  3  1  0  0  0  0
 13  6  2  0  0  0  0
 14  6  2  0  0  0  0
 15 11  2  0  0  0  0
 16 15  1  0  0  0  0
 17  9  2  0  0  0  0
 18 20  1  0  0  0  0
 19 11  1  0  0  0  0
 20 19  2  0  0  0  0
 21 12  1  0  0  0  0
 22 12  1  0  0  0  0
 23 12  1  0  0  0  0
 24 16  1  0  0  0  0
 25 18  1  0  0  0  0
  4  5  2  0  0  0  0
  6  8  1  0  0  0  0
 18 16  2  0  0  0  0
M  END
>  <Mol_ID> (2,419)
2419

>  <Formula> (2,419)
C18H23N3O3S

>  <MolWeight> (2,419)
361.45852

>  <COMPOUND_NAME> (2,419)
WAY-277567

>  <BAR_CODE_NO> (2,419)
390267

$$$$
WAY-277686
csChFnd80/06171916322D

 29 33  0  0  0  0  0  0  0  0999 V2000
   -3.1750    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4333    1.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8458    2.5708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2708    1.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5208    2.0833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8458    0.0208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    1.8958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5208    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5125    2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1750    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7625    1.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8458    3.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7625    1.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2333   -0.3542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5625   -0.3917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0125    2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6167    2.1958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5917    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292    1.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4833    3.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833    1.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0250    0.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6000    3.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0708    3.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8458    5.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0708    4.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6083    4.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8458    6.0917    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6 10  1  0  0  0  0
  7  1  1  0  0  0  0
  8  4  1  0  0  0  0
  9  7  1  0  0  0  0
 10  2  1  0  0  0  0
 11  9  1  0  0  0  0
 12  3  1  0  0  0  0
 13 16  2  0  0  0  0
 14  6  2  0  0  0  0
 15  6  2  0  0  0  0
 16 11  1  0  0  0  0
 17 23  2  0  0  0  0
 18 13  1  0  0  0  0
 19 17  1  0  0  0  0
 20 18  1  0  0  0  0
 21  9  2  0  0  0  0
 22 11  2  0  0  0  0
 23 22  1  0  0  0  0
 24 12  1  0  0  0  0
 25 12  2  0  0  0  0
 26 27  2  0  0  0  0
 27 25  1  0  0  0  0
 28 24  2  0  0  0  0
 29 26  1  0  0  0  0
  4  5  2  0  0  0  0
  6  8  1  0  0  0  0
 26 28  1  0  0  0  0
 17 13  1  0  0  0  0
 20 19  1  0  0  0  0
M  END
>  <Mol_ID> (2,420)
2420

>  <Formula> (2,420)
C19H14ClN3O5S

>  <MolWeight> (2,420)
431.84956

>  <COMPOUND_NAME> (2,420)
WAY-277686

>  <BAR_CODE_NO> (2,420)
390386

$$$$
WAY-277701
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -3.1750    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4333    1.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8458    2.5708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2708    1.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5208    2.0833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8458    0.0208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5208    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    1.8958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1750    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5125    2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8458    3.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2333   -0.3542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5625   -0.3917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4833    3.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0708    3.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6000    3.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7625    1.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8458    5.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0708    4.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6083    4.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8458    6.0917    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167    2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7750    1.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417    3.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    3.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5500    2.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5792    3.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  9  1  0  0  0  0
  7  4  1  0  0  0  0
  8  1  1  0  0  0  0
  9  2  1  0  0  0  0
 10  8  1  0  0  0  0
 11  3  1  0  0  0  0
 12  6  2  0  0  0  0
 13  6  2  0  0  0  0
 14 10  2  0  0  0  0
 15 11  2  0  0  0  0
 16 11  1  0  0  0  0
 17 10  1  0  0  0  0
 18 20  1  0  0  0  0
 19 15  1  0  0  0  0
 20 16  2  0  0  0  0
 21 18  1  0  0  0  0
 22 17  1  0  0  0  0
 23 22  1  0  0  0  0
 24 22  1  0  0  0  0
 25 24  1  0  0  0  0
 26 23  1  0  0  0  0
 27 25  1  0  0  0  0
  4  5  2  0  0  0  0
  6  7  1  0  0  0  0
 18 19  2  0  0  0  0
 27 26  1  0  0  0  0
M  END
>  <Mol_ID> (2,421)
2421

>  <Formula> (2,421)
C19H22FN3O3S

>  <MolWeight> (2,421)
391.4596832

>  <COMPOUND_NAME> (2,421)
WAY-277701

>  <BAR_CODE_NO> (2,421)
390401

$$$$
WAY-277750
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -3.1750    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8458    2.5708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4333    1.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5208    2.0833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2708    1.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8458    0.0208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5208    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8458    3.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    1.8958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1750    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0708    3.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5125    2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5625   -0.3917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2333   -0.3542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4833    3.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0750    4.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7625    1.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0250    2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5667    3.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6000    3.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7750    1.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292    3.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8042    3.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5542    2.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3125    3.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3417    3.6750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6083    4.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8458    5.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3083    5.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1000    3.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6 10  1  0  0  0  0
  7  5  1  0  0  0  0
  8  2  1  0  0  0  0
  9  1  1  0  0  0  0
 10  3  1  0  0  0  0
 11  8  2  0  0  0  0
 12  9  1  0  0  0  0
 13  6  2  0  0  0  0
 14  6  2  0  0  0  0
 15 12  2  0  0  0  0
 16 11  1  0  0  0  0
 17 12  1  0  0  0  0
 18 17  1  0  0  0  0
 19 23  1  0  0  0  0
 20  8  1  0  0  0  0
 21 18  2  0  0  0  0
 22 18  1  0  0  0  0
 23 22  2  0  0  0  0
 24 21  1  0  0  0  0
 25 11  1  0  0  0  0
 26 19  1  0  0  0  0
 27 20  2  0  0  0  0
 28 27  1  0  0  0  0
 29 16  1  0  0  0  0
 30 26  1  0  0  0  0
  5  4  2  0  0  0  0
  6  7  1  0  0  0  0
 28 16  2  0  0  0  0
 19 24  2  0  0  0  0
M  END
>  <Mol_ID> (2,422)
2422

>  <Formula> (2,422)
C22H23N3O4S

>  <MolWeight> (2,422)
425.50072

>  <COMPOUND_NAME> (2,422)
WAY-277750

>  <BAR_CODE_NO> (2,422)
390450

$$$$
WAY-277762
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -3.1750    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8458    2.5708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4333    1.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5208    2.0833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2708    1.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8458    0.0208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    1.8958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5208    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8458    3.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5125    2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1750    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7625    1.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0708    3.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2333   -0.3542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5625   -0.3917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6000    3.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667    2.3083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4833    3.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6875    1.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0750    4.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6375    1.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1750    0.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6083    4.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8458    5.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3125    3.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8458    6.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6 11  1  0  0  0  0
  7  1  1  0  0  0  0
  8  5  1  0  0  0  0
  9  2  1  0  0  0  0
 10  7  1  0  0  0  0
 11  3  1  0  0  0  0
 12 10  1  0  0  0  0
 13  9  2  0  0  0  0
 14  6  2  0  0  0  0
 15  6  2  0  0  0  0
 16  9  1  0  0  0  0
 17 12  1  0  0  0  0
 18 10  2  0  0  0  0
 19 12  2  0  0  0  0
 20 13  1  0  0  0  0
 21 17  1  0  0  0  0
 22 19  1  0  0  0  0
 23 16  2  0  0  0  0
 24 23  1  0  0  0  0
 25 13  1  0  0  0  0
 26 24  1  0  0  0  0
  5  4  2  0  0  0  0
  6  8  1  0  0  0  0
 21 22  2  0  0  0  0
 24 20  2  0  0  0  0
M  END
>  <Mol_ID> (2,423)
2423

>  <Formula> (2,423)
C18H17N3O4S

>  <MolWeight> (2,423)
371.41028

>  <COMPOUND_NAME> (2,423)
WAY-277762

>  <BAR_CODE_NO> (2,423)
390462

$$$$
WAY-277776
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -3.2375    2.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9083    2.8208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    2.3333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4958    1.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3333    1.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3833    2.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9083    3.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7000    2.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1708    4.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9083    0.2708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2375    0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7625    3.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1708    4.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4500    5.3292    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.6250    4.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6250    4.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9333    2.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9083    5.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2583    3.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  2  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9  7  2  0  0  0  0
 10 11  1  0  0  0  0
 11  4  1  0  0  0  0
 12  8  2  0  0  0  0
 13  5  1  0  0  0  0
 14  9  1  0  0  0  0
 15 14  1  0  0  0  0
 16  7  1  0  0  0  0
 17 16  2  0  0  0  0
 18  8  1  0  0  0  0
 19 17  1  0  0  0  0
 20 18  1  0  0  0  0
  5  3  2  0  0  0  0
 10 13  1  0  0  0  0
 19 14  2  0  0  0  0
M  END
>  <Mol_ID> (2,424)
2424

>  <Formula> (2,424)
C14H14ClN3OS

>  <MolWeight> (2,424)
307.79846

>  <COMPOUND_NAME> (2,424)
WAY-277776

>  <BAR_CODE_NO> (2,424)
390476

$$$$
WAY-277804
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -3.2375    2.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9083    2.8208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    2.3333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4958    1.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3833    2.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3333    1.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9083    3.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7000    2.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9333    2.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083    3.0250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1708    4.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458    1.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792    1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9083    0.2708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7625    3.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2375    0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1833    4.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    2.6625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -4.6250    4.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4500    3.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6250    4.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9083    5.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4500    5.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  2  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12  7  2  0  0  0  0
 13  9  2  0  0  0  0
 14 13  1  0  0  0  0
 15 17  1  0  0  0  0
 16  8  2  0  0  0  0
 17  4  1  0  0  0  0
 18 12  1  0  0  0  0
 19  6  1  0  0  0  0
 20 11  1  0  0  0  0
 21  7  1  0  0  0  0
 22 12  1  0  0  0  0
 23 21  2  0  0  0  0
 24 23  1  0  0  0  0
 25 18  1  0  0  0  0
  6  3  2  0  0  0  0
 15 19  1  0  0  0  0
 11 14  2  0  0  0  0
 24 18  2  0  0  0  0
M  END
>  <Mol_ID> (2,425)
2425

>  <Formula> (2,425)
C18H16BrN3O2S

>  <MolWeight> (2,425)
418.30754

>  <COMPOUND_NAME> (2,425)
WAY-277804

>  <BAR_CODE_NO> (2,425)
390504

$$$$
WAY-277822
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -2.4500    1.6208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4500    2.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0125    2.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1625    2.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1625    1.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2458    4.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5125    4.5792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2208    3.5458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2125    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4833    3.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458    4.9667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9542    4.8917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4833    0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8083    2.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0125    4.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833    5.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8083    1.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542    5.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7167    4.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2458    0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9833    1.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4583    2.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4583    1.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5125   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458    1.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0125    0.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  1  1  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6 10  1  0  0  0  0
  7  6  1  0  0  0  0
  8  2  1  0  0  0  0
  9  1  1  0  0  0  0
 10  8  1  0  0  0  0
 11  6  2  0  0  0  0
 12 18  1  0  0  0  0
 13  9  1  0  0  0  0
 14  4  1  0  0  0  0
 15  7  1  0  0  0  0
 16  7  1  0  0  0  0
 17  5  1  0  0  0  0
 18 16  1  0  0  0  0
 19 15  1  0  0  0  0
 20 13  2  0  0  0  0
 21 13  1  0  0  0  0
 22 23  1  0  0  0  0
 23 17  2  0  0  0  0
 24 20  1  0  0  0  0
 25 21  2  0  0  0  0
 26 25  1  0  0  0  0
  2  4  1  0  0  0  0
 22 14  2  0  0  0  0
 24 26  2  0  0  0  0
 12 19  1  0  0  0  0
M  END
>  <Mol_ID> (2,426)
2426

>  <Formula> (2,426)
C21H22N2O2S

>  <MolWeight> (2,426)
366.47658

>  <COMPOUND_NAME> (2,426)
WAY-277822

>  <BAR_CODE_NO> (2,426)
390522

$$$$
WAY-277873
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -2.3750    1.2833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3750    0.4583    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0458    1.7625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7083    1.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7875    2.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9708    2.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0958    3.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2750    3.2208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3708   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    3.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5583    0.4583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2083    0.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4333    2.3833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9250    1.5083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2458    4.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0833   -0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500   -0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3583   -2.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0750   -1.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6458   -1.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3583   -2.8417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4083    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4250    4.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7333    5.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0708   -3.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8958    4.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5583    5.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  2  0  0  0  0
  6  4  2  0  0  0  0
  7  8  1  0  0  0  0
  8  5  1  0  0  0  0
  9  2  1  0  0  0  0
 10  7  1  0  0  0  0
 11  2  2  0  0  0  0
 12  2  2  0  0  0  0
 13  7  2  0  0  0  0
 14  4  1  0  0  0  0
 15 10  2  0  0  0  0
 16  9  2  0  0  0  0
 17  9  1  0  0  0  0
 18 20  1  0  0  0  0
 19 16  1  0  0  0  0
 20 17  2  0  0  0  0
 21 18  1  0  0  0  0
 22 10  1  0  0  0  0
 23 15  1  0  0  0  0
 24 15  1  0  0  0  0
 25 21  1  0  0  0  0
 26 22  2  0  0  0  0
 27 26  1  0  0  0  0
  6  5  1  0  0  0  0
 19 18  2  0  0  0  0
 24 27  2  0  0  0  0
M  END
>  <Mol_ID> (2,427)
2427

>  <Formula> (2,427)
C18H17N3O5S

>  <MolWeight> (2,427)
387.40968

>  <COMPOUND_NAME> (2,427)
WAY-277873

>  <BAR_CODE_NO> (2,427)
390573

$$$$
WAY-277874
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -2.3750    1.2833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3750    0.4583    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0458    1.7625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7083    1.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7875    2.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9708    2.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0958    3.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2750    3.2208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3708   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2083    0.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5583    0.4583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    3.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4333    2.3833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9250    1.5083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500   -0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0833   -0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4083    3.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2458    4.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3583   -2.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6458   -1.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0750   -1.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8958    4.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7250    5.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5583    5.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3583   -2.8417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0292    5.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0708   -3.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  2  0  0  0  0
  6  4  2  0  0  0  0
  7  8  1  0  0  0  0
  8  5  1  0  0  0  0
  9  2  1  0  0  0  0
 10  2  2  0  0  0  0
 11  2  2  0  0  0  0
 12  7  1  0  0  0  0
 13  7  2  0  0  0  0
 14  4  1  0  0  0  0
 15  9  1  0  0  0  0
 16  9  2  0  0  0  0
 17 12  1  0  0  0  0
 18 12  2  0  0  0  0
 19 21  2  0  0  0  0
 20 15  2  0  0  0  0
 21 16  1  0  0  0  0
 22 17  2  0  0  0  0
 23 18  1  0  0  0  0
 24 23  2  0  0  0  0
 25 19  1  0  0  0  0
 26 24  1  0  0  0  0
 27 25  1  0  0  0  0
  6  5  1  0  0  0  0
 19 20  1  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <Mol_ID> (2,428)
2428

>  <Formula> (2,428)
C18H17N3O5S

>  <MolWeight> (2,428)
387.40968

>  <COMPOUND_NAME> (2,428)
WAY-277874

>  <BAR_CODE_NO> (2,428)
390574

$$$$
WAY-277876
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
    0.7813   -0.1861    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7813   -1.0111    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1105    0.2931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4480    0.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3688    1.0806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1855    1.0806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9395    1.6639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4270    2.3306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1187    1.7514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7855   -1.8361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5980   -1.0111    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0520   -1.0194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0895    3.0848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2770    0.9139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2313    0.0389    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0730   -2.2569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5063   -2.2486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2687    3.1723    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.7980   -3.4861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5105   -3.0736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0813   -3.0736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2520    2.2431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7980   -4.3111    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5770    3.7348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0855   -4.7236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7395    2.9098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4020    3.6473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  2  0  0  0  0
  6  4  2  0  0  0  0
  7  9  1  0  0  0  0
  8  7  1  0  0  0  0
  9  5  1  0  0  0  0
 10  2  1  0  0  0  0
 11  2  2  0  0  0  0
 12  2  2  0  0  0  0
 13  8  2  0  0  0  0
 14  7  2  0  0  0  0
 15  4  1  0  0  0  0
 16 10  2  0  0  0  0
 17 10  1  0  0  0  0
 18 13  1  0  0  0  0
 19 20  1  0  0  0  0
 20 17  2  0  0  0  0
 21 16  1  0  0  0  0
 22  8  1  0  0  0  0
 23 19  1  0  0  0  0
 24 13  1  0  0  0  0
 25 23  1  0  0  0  0
 26 22  2  0  0  0  0
 27 26  1  0  0  0  0
  5  6  1  0  0  0  0
 19 21  2  0  0  0  0
 27 24  2  0  0  0  0
M  END
>  <Mol_ID> (2,429)
2429

>  <Formula> (2,429)
C17H14BrN3O5S

>  <MolWeight> (2,429)
452.27916

>  <COMPOUND_NAME> (2,429)
WAY-277876

>  <BAR_CODE_NO> (2,429)
390576

$$$$
WAY-277880
csChFnd80/06171916322D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -0.2583    0.6958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667    0.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542    1.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2583   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542   -0.5417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8917    1.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6042    0.6875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0458   -0.3875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542    1.9333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8917    1.9333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0458    0.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5250    0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6000   -0.1375    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.3125   -0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8792   -0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3125   -1.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  2  1  0  0  0  0
  7  5  1  0  0  0  0
  8  6  1  0  0  0  0
  9  4  1  0  0  0  0
 10  3  2  0  0  0  0
 11  6  2  0  0  0  0
 12  1  1  0  0  0  0
 13 12  1  0  0  0  0
 14  8  1  0  0  0  0
 15 14  1  0  0  0  0
 16 14  1  0  0  0  0
 17 15  1  0  0  0  0
  9 13  1  0  0  0  0
  7  2  2  0  0  0  0
M  END
>  <Mol_ID> (2,430)
2430

>  <Formula> (2,430)
C11H15N3O2S

>  <MolWeight> (2,430)
253.3207

>  <COMPOUND_NAME> (2,430)
WAY-277880

>  <BAR_CODE_NO> (2,430)
390580

$$$$
WAY-277890
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -3.2500    2.8458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8875    2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    3.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5083    2.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833    2.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9583    1.4375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1458    1.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333    1.9583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3333    2.0583    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2917    2.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1833    3.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8208    3.3458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667    1.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9208    3.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542    0.7333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    2.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417    2.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6792    1.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1500    0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292    3.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9042    2.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  2  0  0  0  0
  7  6  1  0  0  0  0
  8  5  1  0  0  0  0
  9  4  1  0  0  0  0
 10  8  1  0  0  0  0
 11  3  2  0  0  0  0
 12  5  2  0  0  0  0
 13 10  2  0  0  0  0
 14  1  1  0  0  0  0
 15 13  1  0  0  0  0
 16 14  1  0  0  0  0
 17 10  1  0  0  0  0
 18 13  1  0  0  0  0
 19 15  1  0  0  0  0
 20 17  2  0  0  0  0
 21 20  1  0  0  0  0
 16  9  1  0  0  0  0
  2  7  2  0  0  0  0
 21 18  2  0  0  0  0
M  END
>  <Mol_ID> (2,431)
2431

>  <Formula> (2,431)
C14H13N3O2S2

>  <MolWeight> (2,431)
319.40192

>  <COMPOUND_NAME> (2,431)
WAY-277890

>  <BAR_CODE_NO> (2,431)
390594

$$$$
WAY-277913
csChFnd80/06171916322D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -4.0958    3.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2708    3.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3500    2.3458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0125    2.3458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6833    1.8625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    3.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7833    3.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6250    2.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1208    2.2875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5583    5.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9708    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8083    2.8708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4083    3.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2458    4.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8958    4.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7500    5.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4708    2.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8 11  1  0  0  0  0
  9  8  2  0  0  0  0
 10 16  1  0  0  0  0
 11  7  1  0  0  0  0
 12  8  1  0  0  0  0
 13  6  1  0  0  0  0
 14  6  1  0  0  0  0
 15 13  1  0  0  0  0
 16 14  1  0  0  0  0
 17 12  1  0  0  0  0
  4  5  1  0  0  0  0
 10 15  1  0  0  0  0
M  END
>  <Mol_ID> (2,432)
2432

>  <Formula> (2,432)
C9H13N3O4S

>  <MolWeight> (2,432)
259.28222

>  <COMPOUND_NAME> (2,432)
WAY-277913

>  <BAR_CODE_NO> (2,432)
390617

$$$$
WAY-277917
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
   -2.1500    1.2875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5625    2.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8958    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2333    2.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9750    1.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1375    3.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333    3.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8583   -1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5708    3.3833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3750   -2.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8583    3.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1375    2.5625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6833   -1.6375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5208   -0.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917    4.6167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7083   -2.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5625   -2.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6708    0.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708   -2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2333   -3.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4000   -3.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0333    2.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0083   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792    3.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333    4.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5250    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792    5.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917    3.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792   -4.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    1.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3333    0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  1  1  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6 11  1  0  0  0  0
  7  6  1  0  0  0  0
  8 14  1  0  0  0  0
  9  2  1  0  0  0  0
 10  8  1  0  0  0  0
 11  9  1  0  0  0  0
 12  6  2  0  0  0  0
 13  8  2  0  0  0  0
 14 23  1  0  0  0  0
 15 27  1  0  0  0  0
 16 10  2  0  0  0  0
 17 10  1  0  0  0  0
 18  1  1  0  0  0  0
 19 17  2  0  0  0  0
 20 16  1  0  0  0  0
 21 19  1  0  0  0  0
 22  4  1  0  0  0  0
 23 18  1  0  0  0  0
 24  7  1  0  0  0  0
 25  7  1  0  0  0  0
 26  5  1  0  0  0  0
 27 25  1  0  0  0  0
 28 24  1  0  0  0  0
 29 21  1  0  0  0  0
 30 31  1  0  0  0  0
 31 26  2  0  0  0  0
  4  2  1  0  0  0  0
 30 22  2  0  0  0  0
 21 20  2  0  0  0  0
 15 28  1  0  0  0  0
M  END
>  <Mol_ID> (2,433)
2433

>  <Formula> (2,433)
C24H27N3O3S

>  <MolWeight> (2,433)
437.55448

>  <COMPOUND_NAME> (2,433)
WAY-277917

>  <BAR_CODE_NO> (2,433)
390621

$$$$
WAY-277933
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
    2.8000   -1.4542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667   -2.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6375   -0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9042   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4417   -2.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6042   -1.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9417   -1.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542   -0.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3042   -0.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6042   -2.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9917   -1.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8167   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2125   -2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6167   -2.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9667   -0.2792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1250   -2.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9917    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792   -0.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1250   -1.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0042   -2.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5500    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2250   -3.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042   -2.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167    1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  5  2  0  0  0  0
  8  4  2  0  0  0  0
  9  6  1  0  0  0  0
 10  3  2  0  0  0  0
 11  2  2  0  0  0  0
 12  9  2  0  0  0  0
 13  6  2  0  0  0  0
 14 15  2  0  0  0  0
 15 13  1  0  0  0  0
 16  9  1  0  0  0  0
 17  5  1  0  0  0  0
 18  4  1  0  0  0  0
 19  8  1  0  0  0  0
 20  7  1  0  0  0  0
 21 14  1  0  0  0  0
 22 16  1  0  0  0  0
 23 21  1  0  0  0  0
 24 27  1  0  0  0  0
 25 26  1  0  0  0  0
 26 17  2  0  0  0  0
 27 18  2  0  0  0  0
  7  8  1  0  0  0  0
 14 12  1  0  0  0  0
 24 19  2  0  0  0  0
 25 20  2  0  0  0  0
M  END
>  <Mol_ID> (2,434)
2434

>  <Formula> (2,434)
C22H17NO4

>  <MolWeight> (2,434)
359.37468

>  <COMPOUND_NAME> (2,434)
WAY-277933

>  <BAR_CODE_NO> (2,434)
390638

$$$$
WAY-277934
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
    2.8000   -1.4542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667   -2.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6375   -0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6042   -1.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9042   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4417   -2.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542   -0.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9417   -1.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8167   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5917   -0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6167   -2.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8292   -3.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9917   -1.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6042   -2.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3042   -0.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2125   -2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4167   -0.3542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2500   -4.0667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1750    0.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6292   -3.7042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9917    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1250   -2.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1250   -1.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792   -0.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2167   -3.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3417    0.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042   -2.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167    1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8  6  2  0  0  0  0
  9  7  2  0  0  0  0
 10  4  2  0  0  0  0
 11  5  1  0  0  0  0
 12 10  1  0  0  0  0
 13 12  1  0  0  0  0
 14  5  2  0  0  0  0
 15  2  2  0  0  0  0
 16  3  2  0  0  0  0
 17 12  2  0  0  0  0
 18 11  2  0  0  0  0
 19 13  2  0  0  0  0
 20 11  1  0  0  0  0
 21 13  1  0  0  0  0
 22  6  1  0  0  0  0
 23  7  1  0  0  0  0
 24  9  1  0  0  0  0
 25  8  1  0  0  0  0
 26 21  1  0  0  0  0
 27 20  1  0  0  0  0
 28 31  1  0  0  0  0
 29 30  1  0  0  0  0
 30 23  2  0  0  0  0
 31 22  2  0  0  0  0
  9  8  1  0  0  0  0
 17 14  1  0  0  0  0
 25 28  2  0  0  0  0
 29 24  2  0  0  0  0
M  END
>  <Mol_ID> (2,435)
2435

>  <Formula> (2,435)
C24H17NO6

>  <MolWeight> (2,435)
415.39488

>  <COMPOUND_NAME> (2,435)
WAY-277934

>  <BAR_CODE_NO> (2,435)
390639

$$$$
WAY-277984
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
    3.2042   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9167   -0.7792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4917   -0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4917   -1.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0625   -4.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792   -4.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3417   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2042   -2.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4917   -4.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9167   -1.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6417   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2042    0.4583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792   -2.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792   -2.8417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2042   -4.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708   -4.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4917   -3.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6417    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0625   -3.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0625   -0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3500   -2.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3417   -5.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0625   -1.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708   -3.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958   -4.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9292    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3542    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9292    1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3542    1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6417    2.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  6  1  0  0  0  0
  6  9  1  0  0  0  0
  7  5  2  0  0  0  0
  8  4  1  0  0  0  0
  9 17  1  0  0  0  0
 10  2  1  0  0  0  0
 11  2  1  0  0  0  0
 12  1  2  0  0  0  0
 13  4  2  0  0  0  0
 14 13  1  0  0  0  0
 15  9  2  0  0  0  0
 16  7  1  0  0  0  0
 17 14  1  0  0  0  0
 18 11  1  0  0  0  0
 19  3  2  0  0  0  0
 20  5  1  0  0  0  0
 21 19  1  0  0  0  0
 22 20  2  0  0  0  0
 23  7  1  0  0  0  0
 24 21  2  0  0  0  0
 25 22  1  0  0  0  0
 26 16  1  0  0  0  0
 27 18  1  0  0  0  0
 28 18  2  0  0  0  0
 29 27  2  0  0  0  0
 30 28  1  0  0  0  0
 31 30  2  0  0  0  0
  8 10  1  0  0  0  0
 13 24  1  0  0  0  0
 31 29  1  0  0  0  0
 25 16  2  0  0  0  0
M  END
>  <Mol_ID> (2,436)
2436

>  <Formula> (2,436)
C26H26N2O3

>  <MolWeight> (2,436)
414.49624

>  <COMPOUND_NAME> (2,436)
WAY-277984

>  <BAR_CODE_NO> (2,436)
390689

$$$$
WAY-278001
csChFnd80/06171916322D

 32 35  0  0  0  0  0  0  0  0999 V2000
    3.2042   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9167   -0.8792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4917   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4917   -1.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0625   -4.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792   -4.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3417   -4.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2042   -2.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4917   -4.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9167   -1.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6417   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2042    0.3583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792   -2.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792   -2.9417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2042   -4.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708   -4.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4917   -3.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6417    0.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6417    2.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3625    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9292    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9292    1.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3625    1.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0625   -3.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0625   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3500   -2.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3417   -5.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0625   -1.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708   -3.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958   -4.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6417    2.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  6  1  0  0  0  0
  6  9  1  0  0  0  0
  7  5  2  0  0  0  0
  8  4  1  0  0  0  0
  9 17  1  0  0  0  0
 10  2  1  0  0  0  0
 11  2  1  0  0  0  0
 12  1  2  0  0  0  0
 13  4  2  0  0  0  0
 14 13  1  0  0  0  0
 15  9  2  0  0  0  0
 16  7  1  0  0  0  0
 17 14  1  0  0  0  0
 18 11  1  0  0  0  0
 19  3  2  0  0  0  0
 20 23  2  0  0  0  0
 21 18  1  0  0  0  0
 22 18  2  0  0  0  0
 23 22  1  0  0  0  0
 24 21  2  0  0  0  0
 25  5  1  0  0  0  0
 26 19  1  0  0  0  0
 27 25  2  0  0  0  0
 28  7  1  0  0  0  0
 29 26  2  0  0  0  0
 30 27  1  0  0  0  0
 31 16  1  0  0  0  0
 32 20  1  0  0  0  0
  8 10  1  0  0  0  0
 29 13  1  0  0  0  0
 20 24  1  0  0  0  0
 30 16  2  0  0  0  0
M  END
>  <Mol_ID> (2,437)
2437

>  <Formula> (2,437)
C27H28N2O3

>  <MolWeight> (2,437)
428.52282

>  <COMPOUND_NAME> (2,437)
WAY-278001

>  <BAR_CODE_NO> (2,437)
390706

$$$$
WAY-278038
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
    1.3042   -0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4417   -2.0625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1042   -0.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0417    0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292   -0.5167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0375   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2292   -2.3042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2875   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6542   -1.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6542   -1.2542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2292   -2.8542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0792   -1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3458    1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6792   -1.6375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0417   -2.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4667   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2542   -2.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6792   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8000   -2.7917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4042   -3.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8292   -1.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5167    1.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8500   -0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0958    2.1458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1917   -3.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6167   -1.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4083    0.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458    1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042    2.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1125    3.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 10  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  5  1  0  0  0  0
  8  2  1  0  0  0  0
  9  3  1  0  0  0  0
 10 17  1  0  0  0  0
 11  2  2  0  0  0  0
 12  2  2  0  0  0  0
 13  9  1  0  0  0  0
 14  6  1  0  0  0  0
 15  9  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 13  2  0  0  0  0
 19 13  1  0  0  0  0
 20 27  1  0  0  0  0
 21  8  1  0  0  0  0
 22  8  1  0  0  0  0
 23  4  1  0  0  0  0
 24  7  1  0  0  0  0
 25 14  1  0  0  0  0
 26 21  1  0  0  0  0
 27 22  1  0  0  0  0
 28 24  2  0  0  0  0
 29 14  2  0  0  0  0
 30 25  1  0  0  0  0
 31 30  1  0  0  0  0
  7  6  2  0  0  0  0
 29 28  1  0  0  0  0
 16 10  2  0  0  0  0
 26 20  1  0  0  0  0
M  END
>  <Mol_ID> (2,438)
2438

>  <Formula> (2,438)
C21H23N3O5S2

>  <MolWeight> (2,438)
461.55442

>  <COMPOUND_NAME> (2,438)
WAY-278038

>  <BAR_CODE_NO> (2,438)
390743

$$$$
WAY-278043
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
    3.4375   -1.4625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2042   -1.1667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083   -1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5750   -0.9750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2583    0.0583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3458   -2.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208   -0.6250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2917   -2.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6500   -1.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7250   -2.2417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1500   -0.6875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0875   -2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417    1.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8417   -1.7000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.1625   -3.3917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -2.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042   -1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7250   -2.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2292   -1.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3417   -0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3917    1.4833    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.9750   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8250    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7042   -2.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6167   -1.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1167   -0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6542    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5792    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7542   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  1  1  0  0  0  0
  4  7  1  0  0  0  0
  5  4  1  0  0  0  0
  6  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  4  2  0  0  0  0
  9  2  1  0  0  0  0
 10 14  1  0  0  0  0
 11  1  1  0  0  0  0
 12  1  2  0  0  0  0
 13  1  2  0  0  0  0
 14 21  1  0  0  0  0
 15  9  1  0  0  0  0
 16  3  1  0  0  0  0
 17 10  2  0  0  0  0
 18 11  2  0  0  0  0
 19 11  1  0  0  0  0
 20 18  1  0  0  0  0
 21 19  2  0  0  0  0
 22  3  1  0  0  0  0
 23 15  1  0  0  0  0
 24  9  2  0  0  0  0
 25 15  2  0  0  0  0
 26 16  1  0  0  0  0
 27 16  1  0  0  0  0
 28 22  1  0  0  0  0
 29 24  1  0  0  0  0
 30 29  2  0  0  0  0
 31 28  1  0  0  0  0
 14 20  2  0  0  0  0
 27 31  1  0  0  0  0
  2  6  2  0  0  0  0
 25 30  1  0  0  0  0
M  END
>  <Mol_ID> (2,439)
2439

>  <Formula> (2,439)
C21H21ClN4O4S

>  <MolWeight> (2,439)
460.93384

>  <COMPOUND_NAME> (2,439)
WAY-278043

>  <BAR_CODE_NO> (2,439)
390748

$$$$
WAY-278064
csChFnd80/06171916322D

 33 36  0  0  0  0  0  0  0  0999 V2000
    3.1750   -1.4417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9417   -1.1542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4708   -1.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3125   -0.9542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667   -0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208    0.0750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083   -2.0417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9833   -0.6042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292   -2.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792   -1.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0792   -0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792   -1.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9542    0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4625   -2.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875   -0.6667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4917   -0.5792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -2.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8542   -0.0542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.3542   -1.3917    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.1000   -3.3792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792    1.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2375   -2.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7417   -1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4625   -2.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667   -1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5625    1.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4875    2.4375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7125   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3917    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167    1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9917    0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9875   -1.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1625    2.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  7  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8  3  2  0  0  0  0
  9 17  1  0  0  0  0
 10  2  1  0  0  0  0
 11  2  1  0  0  0  0
 12  1  1  0  0  0  0
 13  5  1  0  0  0  0
 14  1  2  0  0  0  0
 15  1  2  0  0  0  0
 16 18  1  0  0  0  0
 17 25  1  0  0  0  0
 18 11  1  0  0  0  0
 19 10  1  0  0  0  0
 20  9  2  0  0  0  0
 21 13  1  0  0  0  0
 22 12  2  0  0  0  0
 23 12  1  0  0  0  0
 24 22  1  0  0  0  0
 25 23  2  0  0  0  0
 26 21  2  0  0  0  0
 27 26  1  0  0  0  0
 28 13  2  0  0  0  0
 29 28  1  0  0  0  0
 30 29  2  0  0  0  0
 31 18  1  0  0  0  0
 32 19  1  0  0  0  0
 33 27  1  0  0  0  0
 17 24  2  0  0  0  0
 19 16  1  0  0  0  0
  5  6  2  0  0  0  0
 26 30  1  0  0  0  0
M  END
>  <Mol_ID> (2,440)
2440

>  <Formula> (2,440)
C22H24N4O6S

>  <MolWeight> (2,440)
472.51416

>  <COMPOUND_NAME> (2,440)
WAY-278064

>  <BAR_CODE_NO> (2,440)
390769

$$$$
WAY-278065
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
    3.4042   -1.4417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333   -1.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417   -0.9542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042   -0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2875    0.0750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708   -2.0417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -0.6042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1792   -1.1542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667   -2.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6167   -1.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1875    0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6917   -2.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1167   -0.6667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0542   -2.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292   -3.3792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1125    1.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9792   -1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4667   -2.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2000   -1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6917   -2.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7250   -0.5792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8167   -1.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3125   -0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7917    1.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7167    2.4375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9417   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5875   -1.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0875   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6292    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5542    1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3917    2.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  6  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  2  2  0  0  0  0
  8  1  1  0  0  0  0
  9 14  1  0  0  0  0
 10  1  1  0  0  0  0
 11  4  1  0  0  0  0
 12  1  2  0  0  0  0
 13  1  2  0  0  0  0
 14 20  2  0  0  0  0
 15  9  2  0  0  0  0
 16 11  1  0  0  0  0
 17 10  1  0  0  0  0
 18 10  2  0  0  0  0
 19 17  2  0  0  0  0
 20 18  1  0  0  0  0
 21 28  1  0  0  0  0
 22  8  1  0  0  0  0
 23  8  1  0  0  0  0
 24 16  2  0  0  0  0
 25 24  1  0  0  0  0
 26 11  2  0  0  0  0
 27 22  1  0  0  0  0
 28 23  1  0  0  0  0
 29 26  1  0  0  0  0
 30 29  2  0  0  0  0
 31 25  1  0  0  0  0
 19 14  1  0  0  0  0
 27 21  1  0  0  0  0
  4  5  2  0  0  0  0
 24 30  1  0  0  0  0
M  END
>  <Mol_ID> (2,441)
2441

>  <Formula> (2,441)
C20H20N4O6S

>  <MolWeight> (2,441)
444.461

>  <COMPOUND_NAME> (2,441)
WAY-278065

>  <BAR_CODE_NO> (2,441)
390770

$$$$
WAY-278119
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -1.6333    1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833    1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9250    1.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2583    1.1375    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.2250    1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3458    2.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1458    2.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2250    2.6208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3833    2.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417    2.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542    1.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6833    2.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0167    2.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3458    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7875    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0833    0.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2750    3.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1708    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7792    3.6458    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -4.1708    0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    1.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5708   -0.1167    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6833   -0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1333   -0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5000   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208   -1.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  2  0  0  0  0
  7  9  1  0  0  0  0
  8  5  1  0  0  0  0
  9 12  1  0  0  0  0
 10  8  1  0  0  0  0
 11  5  2  0  0  0  0
 12  1  1  0  0  0  0
 13 11  1  0  0  0  0
 14  3  1  0  0  0  0
 15  2  2  0  0  0  0
 16  4  1  0  0  0  0
 17  9  2  0  0  0  0
 18  6  1  0  0  0  0
 19 10  1  0  0  0  0
 20 14  2  0  0  0  0
 21 20  1  0  0  0  0
 22 20  1  0  0  0  0
 23 16  1  0  0  0  0
 24 16  2  0  0  0  0
 25 23  2  0  0  0  0
 26 24  1  0  0  0  0
 27 26  2  0  0  0  0
  7  6  1  0  0  0  0
 13 10  2  0  0  0  0
 27 25  1  0  0  0  0
 18 21  2  0  0  0  0
M  END
>  <Mol_ID> (2,442)
2442

>  <Formula> (2,442)
C20H14Br2N2O3

>  <MolWeight> (2,442)
490.14476

>  <COMPOUND_NAME> (2,442)
WAY-278119

>  <BAR_CODE_NO> (2,442)
390824

$$$$
WAY-278155
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -1.6333    1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9250    1.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833    1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2583    1.1375    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.3458    2.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1458    2.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3833    2.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2250    1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6833    2.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3458    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208    2.6208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7875    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5625    1.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0833    0.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2750    3.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5375    2.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1708    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292    2.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1708    0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    1.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5708   -0.1167    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6833   -0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1333   -0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5000   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208   -1.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  2  0  0  0  0
  6  7  1  0  0  0  0
  7  9  1  0  0  0  0
  8  3  1  0  0  0  0
  9  1  1  0  0  0  0
 10  2  1  0  0  0  0
 11  8  1  0  0  0  0
 12  3  2  0  0  0  0
 13  8  2  0  0  0  0
 14  4  1  0  0  0  0
 15  7  2  0  0  0  0
 16 11  1  0  0  0  0
 17  5  1  0  0  0  0
 18 13  1  0  0  0  0
 19 10  2  0  0  0  0
 20 19  1  0  0  0  0
 21 19  1  0  0  0  0
 22 14  1  0  0  0  0
 23 14  2  0  0  0  0
 24 22  2  0  0  0  0
 25 23  1  0  0  0  0
 26 25  2  0  0  0  0
  6  5  1  0  0  0  0
 18 16  2  0  0  0  0
 26 24  1  0  0  0  0
 17 20  2  0  0  0  0
M  END
>  <Mol_ID> (2,443)
2443

>  <Formula> (2,443)
C20H15ClN2O3

>  <MolWeight> (2,443)
366.7977

>  <COMPOUND_NAME> (2,443)
WAY-278155

>  <BAR_CODE_NO> (2,443)
390860

$$$$
WAY-278188
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -3.2708    2.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0083    1.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0958    2.5458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3458    1.7583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6750    1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6000    0.4875    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
   -2.7833    3.2125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4250    0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3458    1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9708    3.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    3.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1125   -0.1792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6250    2.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3958    3.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2458    3.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4833    3.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8208    4.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5458    4.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4958    6.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7333    4.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8750    3.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8333    6.7917    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0292    5.1792    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9708    5.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6750    5.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6375    4.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3375    5.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  9  1  0  0  0  0
  7  1  1  0  0  0  0
  8  5  1  0  0  0  0
  9  2  1  0  0  0  0
 10  7  1  0  0  0  0
 11  3  1  0  0  0  0
 12  6  2  0  0  0  0
 13 10  2  0  0  0  0
 14 11  2  0  0  0  0
 15 11  1  0  0  0  0
 16 10  1  0  0  0  0
 17 16  1  0  0  0  0
 18 20  1  0  0  0  0
 19 25  1  0  0  0  0
 20 15  2  0  0  0  0
 21 14  1  0  0  0  0
 22 19  1  0  0  0  0
 23 18  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  2  0  0  0  0
 26 17  2  0  0  0  0
 27 17  1  0  0  0  0
  4  5  2  0  0  0  0
  8  6  1  0  0  0  0
 21 18  2  0  0  0  0
 24 19  2  0  0  0  0
M  END
>  <Mol_ID> (2,444)
2444

>  <Formula> (2,444)
C19H15F2N3O2S

>  <MolWeight> (2,444)
387.4031064

>  <COMPOUND_NAME> (2,444)
WAY-278188

>  <BAR_CODE_NO> (2,444)
390893

$$$$
WAY-278198
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -3.2708    2.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0083    1.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0958    2.5458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3458    1.7583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6750    1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6000    0.4875    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
   -2.7833    3.2125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4250    0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3458    1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9708    3.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    3.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1125   -0.1792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6250    2.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4833    3.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8250    4.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3958    3.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2458    3.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6375    4.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5458    4.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7333    4.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8833    3.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9708    5.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0292    5.1792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6750    5.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458    5.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4958    6.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7958    5.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7083    5.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  9  1  0  0  0  0
  7  1  1  0  0  0  0
  8  5  1  0  0  0  0
  9  2  1  0  0  0  0
 10  7  1  0  0  0  0
 11  3  1  0  0  0  0
 12  6  2  0  0  0  0
 13 10  2  0  0  0  0
 14 10  1  0  0  0  0
 15 14  1  0  0  0  0
 16 11  2  0  0  0  0
 17 11  1  0  0  0  0
 18 15  2  0  0  0  0
 19 20  1  0  0  0  0
 20 17  2  0  0  0  0
 21 16  1  0  0  0  0
 22 18  1  0  0  0  0
 23 19  1  0  0  0  0
 24 25  2  0  0  0  0
 25 15  1  0  0  0  0
 26 24  1  0  0  0  0
 27 22  1  0  0  0  0
 28 23  1  0  0  0  0
  4  5  2  0  0  0  0
  8  6  1  0  0  0  0
 21 19  2  0  0  0  0
 22 26  2  0  0  0  0
M  END
>  <Mol_ID> (2,445)
2445

>  <Formula> (2,445)
C21H21N3O3S

>  <MolWeight> (2,445)
395.47474

>  <COMPOUND_NAME> (2,445)
WAY-278198

>  <BAR_CODE_NO> (2,445)
390903

$$$$
WAY-278214
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -3.2708    2.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0958    2.5458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0083    1.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3458    1.7583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6750    1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6000    0.4875    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
   -2.7833    3.2125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    3.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4250    0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3458    1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9708    3.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1125   -0.1792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3958    3.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6250    2.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2458    3.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4833    3.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7208    2.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8750    3.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7333    4.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5458    4.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6 10  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  5  1  0  0  0  0
 10  3  1  0  0  0  0
 11  7  1  0  0  0  0
 12  6  2  0  0  0  0
 13  8  2  0  0  0  0
 14 11  2  0  0  0  0
 15  8  1  0  0  0  0
 16 11  1  0  0  0  0
 17 13  1  0  0  0  0
 18 13  1  0  0  0  0
 19 15  2  0  0  0  0
 20 19  1  0  0  0  0
  4  5  2  0  0  0  0
  9  6  1  0  0  0  0
 18 20  2  0  0  0  0
M  END
>  <Mol_ID> (2,446)
2446

>  <Formula> (2,446)
C14H15N3O2S

>  <MolWeight> (2,446)
289.3528

>  <COMPOUND_NAME> (2,446)
WAY-278214

>  <BAR_CODE_NO> (2,446)
390919

$$$$
WAY-278234
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -3.2708    2.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0083    1.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0958    2.5458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3458    1.7583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6750    1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7833    3.2125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6000    0.4875    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
   -1.9708    3.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4250    0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3458    1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    3.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1125   -0.1792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6250    2.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3958    3.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2458    3.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4833    3.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5458    4.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7333    4.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8833    3.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0292    5.1792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8208    4.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6625    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7083    5.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1875    4.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3375    5.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7 10  1  0  0  0  0
  8  6  1  0  0  0  0
  9  5  1  0  0  0  0
 10  2  1  0  0  0  0
 11  3  1  0  0  0  0
 12  7  2  0  0  0  0
 13  8  2  0  0  0  0
 14 11  2  0  0  0  0
 15 11  1  0  0  0  0
 16  8  1  0  0  0  0
 17 18  1  0  0  0  0
 18 15  2  0  0  0  0
 19 14  1  0  0  0  0
 20 17  1  0  0  0  0
 21 16  1  0  0  0  0
 22 16  1  0  0  0  0
 23 20  1  0  0  0  0
 24 22  1  0  0  0  0
 25 21  1  0  0  0  0
  4  5  2  0  0  0  0
  9  7  1  0  0  0  0
 19 17  2  0  0  0  0
M  END
>  <Mol_ID> (2,447)
2447

>  <Formula> (2,447)
C18H23N3O3S

>  <MolWeight> (2,447)
361.45852

>  <COMPOUND_NAME> (2,447)
WAY-278234

>  <BAR_CODE_NO> (2,447)
390939

$$$$
WAY-278266
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -3.2708    2.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0083    1.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0958    2.5458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3458    1.7583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6750    1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7833    3.2125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6000    0.4875    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
   -1.9708    3.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4250    0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3458    1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    3.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4833    3.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1125   -0.1792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6250    2.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6625    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8208    4.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5250    5.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1875    4.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3333    5.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458    5.7792    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -4.2458    3.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3958    3.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0708    3.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7 10  1  0  0  0  0
  8  6  1  0  0  0  0
  9  5  1  0  0  0  0
 10  2  1  0  0  0  0
 11  3  1  0  0  0  0
 12  8  1  0  0  0  0
 13  7  2  0  0  0  0
 14  8  2  0  0  0  0
 15 12  2  0  0  0  0
 16 12  1  0  0  0  0
 17 19  1  0  0  0  0
 18 15  1  0  0  0  0
 19 16  2  0  0  0  0
 20 17  1  0  0  0  0
 21 11  1  0  0  0  0
 22 11  1  0  0  0  0
 23 11  1  0  0  0  0
  4  5  2  0  0  0  0
  9  7  1  0  0  0  0
 18 17  2  0  0  0  0
M  END
>  <Mol_ID> (2,448)
2448

>  <Formula> (2,448)
C16H18BrN3O2S

>  <MolWeight> (2,448)
396.30202

>  <COMPOUND_NAME> (2,448)
WAY-278266

>  <BAR_CODE_NO> (2,448)
390971

$$$$
WAY-278271
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -3.2708    2.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0083    1.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0958    2.5458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3458    1.7583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6750    1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7833    3.2125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9708    3.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6000    0.4875    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
   -1.4833    3.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4250    0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3458    1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    3.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1125   -0.1792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6625    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6250    2.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3250    2.9708    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8208    4.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2458    3.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3958    3.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0708    3.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833    4.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3333    5.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208    5.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8 11  1  0  0  0  0
  9  7  1  0  0  0  0
 10  5  1  0  0  0  0
 11  2  1  0  0  0  0
 12  3  1  0  0  0  0
 13  8  2  0  0  0  0
 14  9  2  0  0  0  0
 15  7  2  0  0  0  0
 16 14  1  0  0  0  0
 17  9  1  0  0  0  0
 18 12  1  0  0  0  0
 19 12  1  0  0  0  0
 20 12  1  0  0  0  0
 21 14  1  0  0  0  0
 22 17  2  0  0  0  0
 23 22  1  0  0  0  0
  4  5  2  0  0  0  0
 10  8  1  0  0  0  0
 21 23  2  0  0  0  0
M  END
>  <Mol_ID> (2,449)
2449

>  <Formula> (2,449)
C16H18FN3O2S

>  <MolWeight> (2,449)
335.3964232

>  <COMPOUND_NAME> (2,449)
WAY-278271

>  <BAR_CODE_NO> (2,449)
390976

$$$$
WAY-278296
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -3.2708    2.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0083    1.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0958    2.5458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3458    1.7583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6750    1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7833    3.2125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6000    0.4875    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
   -1.9708    3.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292    4.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4250    0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3458    1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    3.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1875    4.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4833    3.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6625    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1125   -0.1792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6250    2.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0917    3.5833    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2292    4.8917    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.3792    4.2125    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5250    5.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8208    4.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3333    5.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2458    3.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3958    3.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0708    3.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7 11  1  0  0  0  0
  8  6  1  0  0  0  0
  9 13  1  0  0  0  0
 10  5  1  0  0  0  0
 11  2  1  0  0  0  0
 12  3  1  0  0  0  0
 13 15  1  0  0  0  0
 14  8  1  0  0  0  0
 15 14  2  0  0  0  0
 16  7  2  0  0  0  0
 17  8  2  0  0  0  0
 18  9  1  0  0  0  0
 19  9  1  0  0  0  0
 20  9  1  0  0  0  0
 21 23  1  0  0  0  0
 22 14  1  0  0  0  0
 23 22  2  0  0  0  0
 24 12  1  0  0  0  0
 25 12  1  0  0  0  0
 26 12  1  0  0  0  0
  4  5  2  0  0  0  0
 10  7  1  0  0  0  0
 13 21  2  0  0  0  0
M  END
>  <Mol_ID> (2,450)
2450

>  <Formula> (2,450)
C17H18F3N3O2S

>  <MolWeight> (2,450)
385.4039296

>  <COMPOUND_NAME> (2,450)
WAY-278296

>  <BAR_CODE_NO> (2,450)
391001

$$$$
WAY-335217
csChFnd80/06171916322D

 32 35  0  0  0  0  0  0  0  0999 V2000
   -3.8708    3.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7250    4.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083    3.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    4.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4375    3.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    3.3958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083    2.9833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9333    1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4333    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7250    5.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208    1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4583    3.0875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2833    4.5125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6167    1.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9583    0.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208    2.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3167    0.4208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958    4.2125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1458    1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6250   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2333    1.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1500    5.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4375    5.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5667    2.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1458    2.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    2.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2208    2.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4333    0.4875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.4333    2.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083    5.4500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8625    1.3250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9083    2.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8 21  1  0  0  0  0
  9 11  1  0  0  0  0
 10 23  1  0  0  0  0
 11 16  2  0  0  0  0
 12  1  2  0  0  0  0
 13  1  2  0  0  0  0
 14 24  1  0  0  0  0
 15  8  1  0  0  0  0
 16  7  1  0  0  0  0
 17 14  1  0  0  0  0
 18  3  2  0  0  0  0
 19 25  1  0  0  0  0
 20 15  1  0  0  0  0
 21 27  2  0  0  0  0
 22  4  1  0  0  0  0
 23 22  2  0  0  0  0
 24 32  2  0  0  0  0
 25 29  2  0  0  0  0
 26  6  1  0  0  0  0
 27 26  1  0  0  0  0
 28  9  1  0  0  0  0
 29 16  1  0  0  0  0
 30 10  1  0  0  0  0
 31 19  1  0  0  0  0
 32 27  1  0  0  0  0
 10  2  2  0  0  0  0
  8 14  2  0  0  0  0
 20 17  1  0  0  0  0
 19  9  2  0  0  0  0
M  END
>  <Mol_ID> (2,451)
2451

>  <Formula> (2,451)
C21H15ClF2N2O5S

>  <MolWeight> (2,451)
480.8690064

>  <COMPOUND_NAME> (2,451)
WAY-335217

>  <BAR_CODE_NO> (2,451)
310218

$$$$
WAY-335280
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
    6.4667   -3.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4667   -3.1042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0417   -3.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7542   -4.3417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7542   -2.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2542   -4.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0417   -3.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2542   -2.8542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3292   -2.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7417   -3.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3250   -1.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6042   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6000   -0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0292   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3125   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875   -1.8792    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.7542   -1.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0292   -0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3042    0.6000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.3250   -4.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  7  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  2  0  0  0  0
  7  4  2  0  0  0  0
  8  2  1  0  0  0  0
  9  3  1  0  0  0  0
 10  6  1  0  0  0  0
 11  9  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 11  2  0  0  0  0
 15 18  2  0  0  0  0
 16 12  1  0  0  0  0
 17  5  1  0  0  0  0
 18 14  1  0  0  0  0
 19 15  1  0  0  0  0
 20  7  1  0  0  0  0
  8 10  2  0  0  0  0
  5  3  2  0  0  0  0
 15 13  1  0  0  0  0
M  END
>  <Mol_ID> (2,452)
2452

>  <Formula> (2,452)
C14H12ClFN4

>  <MolWeight> (2,452)
290.7232832

>  <COMPOUND_NAME> (2,452)
WAY-335280

>  <BAR_CODE_NO> (2,452)
310281

$$$$
WAY-628601
csChFnd80/06171916322D

 23 26  0  0  0  0  0  0  0  0999 V2000
    0.3538   -3.6404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5629   -4.5473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8490   -2.2190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0227   -4.2321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7978   -3.6854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6980   -6.0652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0064   -0.9841    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3669   -2.2383    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2028   -5.7308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1807   -4.3222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0064   -6.6570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0616   -6.7020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6239    0.3730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4986   -1.1063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3029   -5.8401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2315    1.6144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3798    0.1222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7237    1.4793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6049    2.7142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9617    4.0971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1035    2.5792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8364    5.3384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1997    6.7020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
 10 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
  5  8  1  0  0  0  0
  9 11  2  0  0  0  0
 12 15  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (2,453)
2453

>  <Formula> (2,453)
C18H19N3O2

>  <MolWeight> (2,453)
309.36236

>  <COMPOUND_NAME> (2,453)
WAY-628601

>  <BAR_CODE_NO> (2,453)
90462859

$$$$
WAY-628605
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
    0.3542    2.4958    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6125    3.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042    1.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292    3.9583    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6625   -0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417    2.2458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4250    2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3917    3.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542    1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7083    1.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4083    0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6125    4.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4708   -0.8125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3917    4.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1083   -1.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000    0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9583    0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708   -2.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708   -3.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1875   -2.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8750   -3.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792   -4.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292   -4.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1333   -4.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833   -5.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5 11  1  0  0  0  0
  6  1  2  0  0  0  0
  7  1  2  0  0  0  0
  8  2  2  0  0  0  0
  9  3  1  0  0  0  0
 10  3  1  0  0  0  0
 11 17  1  0  0  0  0
 12  4  1  0  0  0  0
 13  5  2  0  0  0  0
 14  8  1  0  0  0  0
 15  5  1  0  0  0  0
 16  9  1  0  0  0  0
 17 10  1  0  0  0  0
 18 15  1  0  0  0  0
 19 20  1  0  0  0  0
 20 18  1  0  0  0  0
 21 19  1  0  0  0  0
 22 19  2  0  0  0  0
 23 22  1  0  0  0  0
 24 21  2  0  0  0  0
 25 23  2  0  0  0  0
 16 11  1  0  0  0  0
 12 14  2  0  0  0  0
 25 24  1  0  0  0  0
M  END
>  <Mol_ID> (2,454)
2454

>  <Formula> (2,454)
C18H22N2O3S2

>  <MolWeight> (2,454)
378.50888

>  <COMPOUND_NAME> (2,454)
WAY-628605

>  <BAR_CODE_NO> (2,454)
90462863

$$$$
WAY-628616
csChFnd80/06171916322D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -0.1208    0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8375   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917   -0.0917    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.5500    0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917   -0.9250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208    1.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2625   -0.0917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042    0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042    1.1375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5500    1.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8375    1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917   -2.5750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8375   -0.9250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208   -1.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042   -1.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9833    0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167    1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208   -2.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042   -2.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2625    1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9833    1.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7375    1.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7375    0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  1  2  0  0  0  0
  7  4  1  0  0  0  0
  8  3  1  0  0  0  0
  9  8  2  0  0  0  0
 10 11  2  0  0  0  0
 11  6  1  0  0  0  0
 12 19  1  0  0  0  0
 13  2  1  0  0  0  0
 14  5  1  0  0  0  0
 15  5  1  0  0  0  0
 16  7  2  0  0  0  0
 17  9  1  0  0  0  0
 18 14  1  0  0  0  0
 19 15  1  0  0  0  0
 20  8  1  0  0  0  0
 21 10  1  0  0  0  0
 22 21  2  0  0  0  0
 23 24  1  0  0  0  0
 24 20  2  0  0  0  0
  4 10  1  0  0  0  0
 12 18  1  0  0  0  0
 16 22  1  0  0  0  0
 23 17  2  0  0  0  0
M  END
>  <Mol_ID> (2,455)
2455

>  <Formula> (2,455)
C19H19N3O2

>  <MolWeight> (2,455)
321.37306

>  <COMPOUND_NAME> (2,455)
WAY-628616

>  <BAR_CODE_NO> (2,455)
90462876

$$$$
WAY-628635
csChFnd80/06171916322D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -0.1458   -0.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7375    2.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2250    2.8958    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958    0.0458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4000   -1.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6625   -0.3917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958    1.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7375    3.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417    2.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417    3.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458    0.8333    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.1542   -1.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1083   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9542   -1.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5125   -2.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4500   -3.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542   -3.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  2  0  0  0  0
  7 11  1  0  0  0  0
  8  3  1  0  0  0  0
  9  2  2  0  0  0  0
 10  9  1  0  0  0  0
 11  4  1  0  0  0  0
 12  5  1  0  0  0  0
 13 11  1  0  0  0  0
 14 12  1  0  0  0  0
 15 12  2  0  0  0  0
 16 15  1  0  0  0  0
 17 14  2  0  0  0  0
 18 16  2  0  0  0  0
 18 17  1  0  0  0  0
  8 10  2  0  0  0  0
M  END
>  <Mol_ID> (2,456)
2456

>  <Formula> (2,456)
C14H16N2OS

>  <MolWeight> (2,456)
260.35464

>  <COMPOUND_NAME> (2,456)
WAY-628635

>  <BAR_CODE_NO> (2,456)
90462896

$$$$
WAY-628650
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    2.8542   -1.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1625    1.6958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1292   -1.5292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1625    0.3583    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6833    1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1292   -0.7042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3417   -0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3417   -1.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9458    1.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0292   -1.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9458    0.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917   -0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6167   -0.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792   -1.1167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583    1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0917    0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458    0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792    0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0917   -2.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6625    1.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6625    0.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3750    0.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3750    1.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  2  0  0  0  0
  3  8  2  0  0  0  0
  4  5  1  0  0  0  0
  5 15  1  0  0  0  0
  6  7  1  0  0  0  0
  7  1  2  0  0  0  0
  8  1  1  0  0  0  0
  9  2  1  0  0  0  0
 10  1  1  0  0  0  0
 11  4  1  0  0  0  0
 12 13  1  0  0  0  0
 13 10  1  0  0  0  0
 14 12  2  0  0  0  0
 15 17  1  0  0  0  0
 16  7  1  0  0  0  0
 17 18  1  0  0  0  0
 18 12  1  0  0  0  0
 19  8  1  0  0  0  0
 20  9  1  0  0  0  0
 21 11  1  0  0  0  0
 22 21  2  0  0  0  0
 23 20  2  0  0  0  0
  6  3  1  0  0  0  0
 11  9  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (2,457)
2457

>  <Formula> (2,457)
C17H18N2O3S

>  <MolWeight> (2,457)
330.40142

>  <COMPOUND_NAME> (2,457)
WAY-628650

>  <BAR_CODE_NO> (2,457)
90462911

$$$$
WAY-628671
csChFnd80/06171916322D

 28 30  0  0  0  0  0  0  0  0999 V2000
   -1.1000    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1000   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8833    0.3208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3708   -0.3417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3833    0.4833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3833   -1.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8833   -1.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0417    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3833   -1.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0417    1.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0958    3.2958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542    1.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458    2.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1000   -2.4042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    1.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292    1.7208    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1375    1.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5875    1.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292   -2.4042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1375   -1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1875    1.7208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292   -3.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9000    1.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0417   -3.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  1  2  0  0  0  0
  6  2  2  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  8  1  0  0  0  0
 10  8  2  0  0  0  0
 11  6  1  0  0  0  0
 12  9  2  0  0  0  0
 13 15  3  0  0  0  0
 14 12  1  0  0  0  0
 15 21  1  0  0  0  0
 16  9  1  0  0  0  0
 17 11  2  0  0  0  0
 18 22  1  0  0  0  0
 19 12  1  0  0  0  0
 20  3  1  0  0  0  0
 21 20  1  0  0  0  0
 22 16  2  0  0  0  0
 23 11  1  0  0  0  0
 24  7  1  0  0  0  0
 25 18  1  0  0  0  0
 26 23  1  0  0  0  0
 27 25  1  0  0  0  0
 28 26  1  0  0  0  0
  7  4  2  0  0  0  0
 10  6  1  0  0  0  0
 18 14  2  0  0  0  0
M  END
>  <Mol_ID> (2,458)
2458

>  <Formula> (2,458)
C20H19FN4O3

>  <MolWeight> (2,458)
382.3882632

>  <COMPOUND_NAME> (2,458)
WAY-628671

>  <BAR_CODE_NO> (2,458)
90462932

$$$$
WAY-628713
csChFnd80/06171916322D

 26 30  0  0  0  0  0  0  0  0999 V2000
    0.3292    0.2583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208    0.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7625    0.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5917    0.7625    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.6375   -0.0792    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.0083   -0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083    1.0958    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7958    0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4292   -0.2750    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5375    1.0333    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.7958    0.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9500    0.3458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583   -1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8875    1.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8792    0.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667   -1.1167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4875    1.7583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458   -1.7167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1125   -1.4042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5083   -0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5083    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2917   -2.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2208    0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2208    0.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0875   -2.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  3  1  0  0  0  0
  7  2  2  0  0  0  0
  8  2  1  0  0  0  0
  9  7  1  0  0  0  0
 10  6  1  0  0  0  0
 11  5  1  0  0  0  0
 12  8  1  0  0  0  0
 13 11  1  0  0  0  0
 14  7  1  0  0  0  0
 15 11  1  0  0  0  0
 16 10  1  0  0  0  0
 17  3  2  0  0  0  0
 18  4  2  0  0  0  0
 19 14  2  0  0  0  0
 20 14  1  0  0  0  0
 21  9  1  0  0  0  0
 22 12  1  0  0  0  0
 23 20  1  0  0  0  0
 24 21  1  0  0  0  0
 25 22  1  0  0  0  0
 26 23  1  0  0  0  0
  5  6  1  0  0  0  0
  9 12  2  0  0  0  0
 13 10  1  0  0  0  0
 16 15  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (2,459)
2459

>  <Formula> (2,459)
C19H19NO5S

>  <MolWeight> (2,459)
373.42286

>  <COMPOUND_NAME> (2,459)
WAY-628713

>  <BAR_CODE_NO> (2,459)
90462974

$$$$
WAY-628723
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
    0.2250    0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2875    1.1375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0125    0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792    1.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1333    0.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000    1.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4875    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0625   -0.7542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5542    0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583   -0.0917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7417    1.9333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6750   -2.3917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6125    1.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458   -1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6458   -1.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3208    0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4625   -2.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708   -1.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4667   -0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167    0.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4333    1.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7833    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9875   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292   -1.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8917   -0.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  2  1  0  0  0  0
  7  5  2  0  0  0  0
  8  7  1  0  0  0  0
  9  3  1  0  0  0  0
 10  1  1  0  0  0  0
 11  4  2  0  0  0  0
 12 17  1  0  0  0  0
 13  5  1  0  0  0  0
 14  8  1  0  0  0  0
 15  8  1  0  0  0  0
 16  7  1  0  0  0  0
 17 15  1  0  0  0  0
 18 14  1  0  0  0  0
 19  9  1  0  0  0  0
 20  9  2  0  0  0  0
 21 13  2  0  0  0  0
 22 21  1  0  0  0  0
 23 20  1  0  0  0  0
 24 19  2  0  0  0  0
 25 23  2  0  0  0  0
  6  4  1  0  0  0  0
 25 24  1  0  0  0  0
 22 16  2  0  0  0  0
 12 18  1  0  0  0  0
M  END
>  <Mol_ID> (2,460)
2460

>  <Formula> (2,460)
C20H21N3O2

>  <MolWeight> (2,460)
335.39964

>  <COMPOUND_NAME> (2,460)
WAY-628723

>  <BAR_CODE_NO> (2,460)
90462986

$$$$
WAY-628726
csChFnd80/06171916322D

 32 36  0  0  0  0  0  0  0  0999 V2000
   -0.2708   -0.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9333   -1.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1417   -2.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6833   -2.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000   -1.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708   -0.1292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417    0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417    1.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417    2.7583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1625    2.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1625    1.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8750    2.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708    1.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708    2.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208   -1.1792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9625    3.5833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1625   -0.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6292    2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7667    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1792    3.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1792   -1.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9833    1.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9833    2.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9875   -2.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8333   -3.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6958    1.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6958    2.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3125   -4.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4708   -3.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1333   -4.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  5  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9 14  2  0  0  0  0
 10 11  2  0  0  0  0
 11  8  1  0  0  0  0
 12 10  1  0  0  0  0
 13  8  2  0  0  0  0
 14 13  1  0  0  0  0
 15  2  2  0  0  0  0
 16 12  1  0  0  0  0
 17  4  1  0  0  0  0
 18  7  2  0  0  0  0
 19 12  2  0  0  0  0
 20 16  1  0  0  0  0
 21 19  1  0  0  0  0
 22  3  1  0  0  0  0
 23  5  1  0  0  0  0
 24 13  1  0  0  0  0
 25 14  1  0  0  0  0
 26 17  1  0  0  0  0
 27 17  2  0  0  0  0
 28 24  2  0  0  0  0
 29 28  1  0  0  0  0
 30 27  1  0  0  0  0
 31 26  2  0  0  0  0
 32 30  2  0  0  0  0
  3  4  1  0  0  0  0
  9 10  1  0  0  0  0
 32 31  1  0  0  0  0
 29 25  2  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (2,461)
2461

>  <Formula> (2,461)
C25H20N4O2S

>  <MolWeight> (2,461)
440.5169

>  <COMPOUND_NAME> (2,461)
WAY-628726

>  <BAR_CODE_NO> (2,461)
90462989

$$$$
WAY-628769
csChFnd80/06171916322D

 21 22  0  0  0  0  0  0  0  0999 V2000
    0.2375    1.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833   -0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375    0.3375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9500    1.5750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1958    0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833   -0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1958   -1.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1958   -2.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833    1.5750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833   -2.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375   -1.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375   -2.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792    2.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083   -0.0750    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.1958    1.1625    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083   -2.5500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6667    1.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9500    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6667    2.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792    1.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833   -3.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  2  0  0  0  0
  6  2  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  1  2  0  0  0  0
 10 12  1  0  0  0  0
 11  6  1  0  0  0  0
 12 11  2  0  0  0  0
 13 19  1  0  0  0  0
 14  5  1  0  0  0  0
 15  5  1  0  0  0  0
 16  8  1  0  0  0  0
 17  4  1  0  0  0  0
 18  4  1  0  0  0  0
 19 18  1  0  0  0  0
 20 17  1  0  0  0  0
 21 10  1  0  0  0  0
 13 20  1  0  0  0  0
 10  8  2  0  0  0  0
M  END
>  <Mol_ID> (2,462)
2462

>  <Formula> (2,462)
C14H15Cl2FN2O2

>  <MolWeight> (2,462)
333.1855032

>  <COMPOUND_NAME> (2,462)
WAY-628769

>  <BAR_CODE_NO> (2,462)
90463036

$$$$
WAY-628840
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -0.1125    1.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7083    1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417    0.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6250   -1.8917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4625    0.2125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6500   -0.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667    1.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5333    1.0500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6167   -1.5917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5708   -3.2417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8125    1.8750    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542    2.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5958    2.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4458   -1.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2750   -2.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167    0.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -3.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208   -2.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9417    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833    3.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6667    2.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792   -0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8000   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  7  1  0  0  0  0
  5  4  1  0  0  0  0
  6  2  1  0  0  0  0
  7  6  1  0  0  0  0
  8  3  2  0  0  0  0
  9  2  2  0  0  0  0
 10  4  2  0  0  0  0
 11 18  1  0  0  0  0
 12  8  1  0  0  0  0
 13  1  1  0  0  0  0
 14  1  1  0  0  0  0
 15  5  1  0  0  0  0
 16  5  1  0  0  0  0
 17  3  1  0  0  0  0
 18 16  1  0  0  0  0
 19 15  1  0  0  0  0
 20  8  1  0  0  0  0
 21 14  1  0  0  0  0
 22 13  1  0  0  0  0
 23 17  2  0  0  0  0
 24 23  1  0  0  0  0
 21 22  1  0  0  0  0
 24 20  2  0  0  0  0
 11 19  1  0  0  0  0
M  END
>  <Mol_ID> (2,463)
2463

>  <Formula> (2,463)
C18H22FNO4

>  <MolWeight> (2,463)
335.3699832

>  <COMPOUND_NAME> (2,463)
WAY-628840

>  <BAR_CODE_NO> (2,463)
90463112

$$$$
WAY-628841
csChFnd80/06171916322D

 21 22  0  0  0  0  0  0  0  0999 V2000
    0.7792   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6500    1.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3625    1.8083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4917   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667    0.1583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7792   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6500    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6500   -1.0792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667    1.8083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7958    2.6333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4917   -2.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4917    0.1583    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4917   -3.1417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3625    2.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0833    1.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7958    1.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0833    3.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042   -3.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  8  1  0  0  0  0
  4  3  1  0  0  0  0
  5  1  2  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  6  1  0  0  0  0
  9  2  2  0  0  0  0
 10  3  2  0  0  0  0
 11 19  1  0  0  0  0
 12  5  1  0  0  0  0
 13  7  2  0  0  0  0
 14  5  1  0  0  0  0
 15 13  1  0  0  0  0
 16 13  1  0  0  0  0
 17  4  1  0  0  0  0
 18  4  1  0  0  0  0
 19 18  1  0  0  0  0
 20 17  1  0  0  0  0
 21 15  1  0  0  0  0
 12 16  2  0  0  0  0
 11 20  1  0  0  0  0
M  END
>  <Mol_ID> (2,464)
2464

>  <Formula> (2,464)
C14H16ClNO4S

>  <MolWeight> (2,464)
329.79914

>  <COMPOUND_NAME> (2,464)
WAY-628841

>  <BAR_CODE_NO> (2,464)
90463113

$$$$
WAY-628842
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
    1.7417    0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4542   -0.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4083   -0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208    0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3125    0.0500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0250   -0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7417    0.8750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4083   -1.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8333   -0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208    0.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8792   -1.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4542   -1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1667    0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8792   -0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1667   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5458    0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8333   -1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8333    1.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4083    1.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5458   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8333    2.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4083    2.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2583   -0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208    2.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2583   -1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  5  1  0  0  0  0
  4  3  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  7  1  2  0  0  0  0
  8  3  2  0  0  0  0
  9  4  1  0  0  0  0
 10  4  1  0  0  0  0
 11 14  1  0  0  0  0
 12  2  1  0  0  0  0
 13  2  1  0  0  0  0
 14 13  1  0  0  0  0
 15 12  1  0  0  0  0
 16  9  1  0  0  0  0
 17  9  2  0  0  0  0
 18 10  2  0  0  0  0
 19 10  1  0  0  0  0
 20 17  1  0  0  0  0
 21 18  1  0  0  0  0
 22 19  2  0  0  0  0
 23 16  2  0  0  0  0
 24 22  1  0  0  0  0
 25 20  2  0  0  0  0
 11 15  1  0  0  0  0
 24 21  2  0  0  0  0
 25 23  1  0  0  0  0
M  END
>  <Mol_ID> (2,465)
2465

>  <Formula> (2,465)
C20H21NO4

>  <MolWeight> (2,465)
339.38504

>  <COMPOUND_NAME> (2,465)
WAY-628842

>  <BAR_CODE_NO> (2,465)
90463114

$$$$
WAY-628893
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -1.3333    0.3208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8208    0.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8208   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6083   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6083    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0958   -0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7292   -0.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2042   -0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5625    1.7708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5625   -1.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792   -0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417   -1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083   -1.1125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6167   -1.1125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9667    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9667   -1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6167    0.3208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3208   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3208    1.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4417    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0333    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0333   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8542    1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9 12  1  0  0  0  0
 10  2  2  0  0  0  0
 11  3  2  0  0  0  0
 12 17  1  0  0  0  0
 13  8  1  0  0  0  0
 14  8  1  0  0  0  0
 15  7  2  0  0  0  0
 16  9  2  0  0  0  0
 17 14  1  0  0  0  0
 18 13  1  0  0  0  0
 19  9  1  0  0  0  0
 20  4  1  0  0  0  0
 21  5  1  0  0  0  0
 22 19  1  0  0  0  0
 23 21  2  0  0  0  0
 24 20  2  0  0  0  0
 25 22  1  0  0  0  0
  4  5  2  0  0  0  0
 24 23  1  0  0  0  0
 12 18  1  0  0  0  0
M  END
>  <Mol_ID> (2,466)
2466

>  <Formula> (2,466)
C18H20N2O5

>  <MolWeight> (2,466)
344.3618

>  <COMPOUND_NAME> (2,466)
WAY-628893

>  <BAR_CODE_NO> (2,466)
90463165

$$$$
WAY-628919
csChFnd80/06171916322D

 22 23  0  0  0  0  0  0  0  0999 V2000
   -2.5958   -0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3750    0.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8583   -0.5542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5958   -0.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9250    0.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3750   -1.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2500    0.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708    0.0083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0083    1.1625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3375   -0.6667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167    0.6458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6333    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6750    0.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0917    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6333   -2.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3417    0.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7625    0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1792   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9292   -0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5167    0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6000   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  2  0  0  0  0
  7 12  1  0  0  0  0
  8  5  1  0  0  0  0
  9  5  2  0  0  0  0
 10  7  2  0  0  0  0
 11  7  1  0  0  0  0
 12  8  1  0  0  0  0
 13  2  1  0  0  0  0
 14 11  1  0  0  0  0
 15 17  1  0  0  0  0
 16  6  1  0  0  0  0
 17 14  1  0  0  0  0
 18 15  2  0  0  0  0
 19 15  1  0  0  0  0
 20 19  2  0  0  0  0
 21 18  1  0  0  0  0
 22 20  1  0  0  0  0
  3  6  1  0  0  0  0
 22 21  2  0  0  0  0
M  END
>  <Mol_ID> (2,467)
2467

>  <Formula> (2,467)
C17H19NO4

>  <MolWeight> (2,467)
301.33706

>  <COMPOUND_NAME> (2,467)
WAY-628919

>  <BAR_CODE_NO> (2,467)
90463191

$$$$
WAY-628992
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
    1.2042    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2250    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4875    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2250    1.8333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042    1.8333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4875    2.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4875   -0.2292    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.2250   -0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9167    0.5958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0500    1.0083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4875    3.0708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042   -0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458    0.5958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6583   -0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9167   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3708   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6583   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9167   -1.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0833   -0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3708   -1.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6292   -0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6292   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0833   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  6  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7  3  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  1  2  0  0  0  0
 11  2  2  0  0  0  0
 12  6  2  0  0  0  0
 13  7  1  0  0  0  0
 14  9  2  0  0  0  0
 15  9  1  0  0  0  0
 16 13  2  0  0  0  0
 17 13  1  0  0  0  0
 18 15  1  0  0  0  0
 19 15  2  0  0  0  0
 20 17  2  0  0  0  0
 21 18  2  0  0  0  0
 22 19  1  0  0  0  0
 23 16  1  0  0  0  0
 24 20  1  0  0  0  0
 25 22  2  0  0  0  0
  2  4  1  0  0  0  0
 24 23  2  0  0  0  0
 25 21  1  0  0  0  0
M  END
>  <Mol_ID> (2,468)
2468

>  <Formula> (2,468)
C19H16N2O4

>  <MolWeight> (2,468)
336.34134

>  <COMPOUND_NAME> (2,468)
WAY-628992

>  <BAR_CODE_NO> (2,468)
90463266

$$$$
WAY-628994
csChFnd80/06171916322D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -1.8465    1.5734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8465    0.1665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5603    2.3044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0982    2.3044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0982   -0.5646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5603   -0.5646    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6535    1.6113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5603    3.7492    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3120    1.5734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3120    0.1665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5603   -2.0094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6535    0.1940    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9053    2.3044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8465   -2.6991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6535   -2.6991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8777   -0.5266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8777   -1.9439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1191    0.1940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1191   -2.6646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3708   -0.5266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3708   -1.9439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  2  0  0  0  0
 11 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
  9 10  2  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (2,469)
2469

>  <Formula> (2,469)
C16H14N2O3

>  <MolWeight> (2,469)
282.29396

>  <COMPOUND_NAME> (2,469)
WAY-628994

>  <BAR_CODE_NO> (2,469)
90463269

$$$$
WAY-629032
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -1.1583    0.9833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000   -0.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5875   -0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958    0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000    1.7458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917   -1.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9417    0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8875   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4750   -2.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7125    0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6792   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4500    1.4333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083    0.5958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333   -1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0708   -0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4333    3.1833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1958    2.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4333    1.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542   -2.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208   -2.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4292    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000   -1.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8458    2.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6083    3.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417   -3.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2292   -3.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  6  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  2  0  0  0  0
  7 15  1  0  0  0  0
  8  2  1  0  0  0  0
  9  2  1  0  0  0  0
 10  7  1  0  0  0  0
 11  8  2  0  0  0  0
 12  9  2  0  0  0  0
 13  1  2  0  0  0  0
 14  1  2  0  0  0  0
 15 16  2  0  0  0  0
 16  4  1  0  0  0  0
 17 24  1  0  0  0  0
 18  5  1  0  0  0  0
 19  5  1  0  0  0  0
 20 10  1  0  0  0  0
 21 10  1  0  0  0  0
 22  8  1  0  0  0  0
 23  9  1  0  0  0  0
 24 19  1  0  0  0  0
 25 18  1  0  0  0  0
 26 21  1  0  0  0  0
 27 20  1  0  0  0  0
 17 25  1  0  0  0  0
  7  3  2  0  0  0  0
 11 12  1  0  0  0  0
 27 26  1  0  0  0  0
M  END
>  <Mol_ID> (2,470)
2470

>  <Formula> (2,470)
C20H27N3O3S

>  <MolWeight> (2,470)
389.51168

>  <COMPOUND_NAME> (2,470)
WAY-629032

>  <BAR_CODE_NO> (2,470)
90463308

$$$$
WAY-629084
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    2.3167    0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1750   -0.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042   -0.3250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0292   -0.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3958    0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5375    0.0875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8917    0.0875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.3958    0.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1833   -0.1667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1833    1.1708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6708    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167    0.9125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6833   -0.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1750   -1.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4625   -0.3250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6833    1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9708    0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2583   -0.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500    0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9708    0.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0292   -1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4625   -1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8917    0.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -1.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5 13  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8 16  1  0  0  0  0
  9  5  1  0  0  0  0
 10  8  1  0  0  0  0
 11  9  1  0  0  0  0
 12  1  2  0  0  0  0
 13 17  2  0  0  0  0
 14  2  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  2  0  0  0  0
 17 18  1  0  0  0  0
 18  6  1  0  0  0  0
 19  4  2  0  0  0  0
 20 17  1  0  0  0  0
 21  4  1  0  0  0  0
 22 24  1  0  0  0  0
 23  7  1  0  0  0  0
 24 21  2  0  0  0  0
 22 15  2  0  0  0  0
  8  5  2  0  0  0  0
 11 10  1  0  0  0  0
M  END
>  <Mol_ID> (2,471)
2471

>  <Formula> (2,471)
C17H16N2O5

>  <MolWeight> (2,471)
328.31934

>  <COMPOUND_NAME> (2,471)
WAY-629084

>  <BAR_CODE_NO> (2,471)
90463363

$$$$
WAY-629119
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
    0.2167    0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958    0.7000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.9292    1.5250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167    1.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958    1.5250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167   -0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2125    0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6417    0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167    2.7708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958   -0.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2125   -0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9250    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292   -0.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6458   -0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6458    0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9250   -0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3583   -0.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6417   -0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3625    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292   -1.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0708   -0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6417   -2.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0750    0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3625   -0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0750   -0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  6  1  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8  3  1  0  0  0  0
  9  2  1  0  0  0  0
 10  5  2  0  0  0  0
 11  7  2  0  0  0  0
 12  8  2  0  0  0  0
 13  8  1  0  0  0  0
 14  7  1  0  0  0  0
 15 16  1  0  0  0  0
 16 13  2  0  0  0  0
 17 12  1  0  0  0  0
 18 15  1  0  0  0  0
 19  9  1  0  0  0  0
 20  9  2  0  0  0  0
 21 14  1  0  0  0  0
 22 18  1  0  0  0  0
 23 21  1  0  0  0  0
 24 20  1  0  0  0  0
 25 19  2  0  0  0  0
 26 24  2  0  0  0  0
  5  4  1  0  0  0  0
 15 17  2  0  0  0  0
 26 25  1  0  0  0  0
M  END
>  <Mol_ID> (2,472)
2472

>  <Formula> (2,472)
C20H20N2O4

>  <MolWeight> (2,472)
352.3838

>  <COMPOUND_NAME> (2,472)
WAY-629119

>  <BAR_CODE_NO> (2,472)
90463400

$$$$
WAY-629159
csChFnd80/06171916322D

 20 21  0  0  0  0  0  0  0  0999 V2000
    2.4241    1.5064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9862    1.0685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2483    0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9690    2.9685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9103   -0.4453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3207    2.0064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3690   -0.9557    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7931    0.3685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3931    3.2305    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9310    4.1374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4069   -1.1936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3931    2.0443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7310   -0.4453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4414   -2.7315    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0897   -1.1936    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0897   -2.7315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4034   -0.4453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4034   -3.5281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7655   -1.1936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7655   -2.7833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
  5  7  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (2,473)
2473

>  <Formula> (2,473)
C14H20N2O4

>  <MolWeight> (2,473)
280.3196

>  <COMPOUND_NAME> (2,473)
WAY-629159

>  <BAR_CODE_NO> (2,473)
90463441

$$$$
WAY-629195
csChFnd80/06171916322D

 24 27  0  0  0  0  0  0  0  0999 V2000
    2.3292   -0.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3292    0.3708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5500   -0.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0500   -0.8667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4833    0.0083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2708    1.0833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2708    0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0500    0.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4833    1.3375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667   -0.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7625    0.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5500    0.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7625   -0.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1708    0.6708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9333   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417   -0.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0500    1.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4792   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8500   -1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6875    0.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3583   -0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5208   -1.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2708   -1.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7  5  1  0  0  0  0
  8  2  1  0  0  0  0
  9 15  1  0  0  0  0
 10  9  2  0  0  0  0
 11  3  1  0  0  0  0
 12 14  1  0  0  0  0
 13  2  1  0  0  0  0
 14  4  2  0  0  0  0
 15 17  1  0  0  0  0
 16  7  1  0  0  0  0
 17 11  1  0  0  0  0
 18  8  1  0  0  0  0
 19 14  1  0  0  0  0
 20 16  2  0  0  0  0
 21 16  1  0  0  0  0
 22 21  2  0  0  0  0
 23 20  1  0  0  0  0
 24 22  1  0  0  0  0
 11 13  2  0  0  0  0
  8 12  2  0  0  0  0
  7  6  2  0  0  0  0
 24 23  2  0  0  0  0
M  END
>  <Mol_ID> (2,474)
2474

>  <Formula> (2,474)
C17H15N5OS

>  <MolWeight> (2,474)
337.3989

>  <COMPOUND_NAME> (2,474)
WAY-629195

>  <BAR_CODE_NO> (2,474)
90463481

$$$$
WAY-629203
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -1.5583    1.6583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7750    1.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2875    2.0708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7750    2.7375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5583    2.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042   -1.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3500   -0.5042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4125   -1.4667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0542   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208    0.6208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417   -0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2708    1.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042   -2.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2708    2.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9875    1.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9875    2.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083   -0.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2875    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167   -2.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6667   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417   -1.7375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3667   -3.6417    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7 11  1  0  0  0  0
  8  6  1  0  0  0  0
  9  6  2  0  0  0  0
 10  2  1  0  0  0  0
 11 18  1  0  0  0  0
 12  1  1  0  0  0  0
 13  9  1  0  0  0  0
 14  5  1  0  0  0  0
 15 12  2  0  0  0  0
 16 15  1  0  0  0  0
 17 11  2  0  0  0  0
 18 10  1  0  0  0  0
 19 13  2  0  0  0  0
 20  8  2  0  0  0  0
 21  9  1  0  0  0  0
 22 19  1  0  0  0  0
  4  3  1  0  0  0  0
 16 14  2  0  0  0  0
 20 19  1  0  0  0  0
M  END
>  <Mol_ID> (2,475)
2475

>  <Formula> (2,475)
C13H9Cl2N5OS

>  <MolWeight> (2,475)
354.21446

>  <COMPOUND_NAME> (2,475)
WAY-629203

>  <BAR_CODE_NO> (2,475)
90463489

$$$$
WAY-629204
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -1.9208   -0.7375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208    0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958    0.0875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.2083    0.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2083   -1.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958   -0.7375    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.7083    0.3458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7083   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1958   -0.3250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167    1.3250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167   -1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9375    0.0875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9375    1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167   -1.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9375   -0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9375   -2.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9625   -1.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3625   -2.3875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958    1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9375    2.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3625    1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    2.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3625    2.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  7  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  5  1  0  0  0  0
  8  2  2  0  0  0  0
  9  1  1  0  0  0  0
 10  9  2  0  0  0  0
 11  6  1  0  0  0  0
 12  7  1  0  0  0  0
 13  6  2  0  0  0  0
 14 11  1  0  0  0  0
 15 12  1  0  0  0  0
 16 12  2  0  0  0  0
 17 18  2  0  0  0  0
 18 16  1  0  0  0  0
 19 15  2  0  0  0  0
 20  9  1  0  0  0  0
 21 17  1  0  0  0  0
 22 11  1  0  0  0  0
 23 14  1  0  0  0  0
 24 14  1  0  0  0  0
 25 24  1  0  0  0  0
 26 23  1  0  0  0  0
 27 25  1  0  0  0  0
 10  8  1  0  0  0  0
  4  3  1  0  0  0  0
 17 19  1  0  0  0  0
 27 26  1  0  0  0  0
M  END
>  <Mol_ID> (2,476)
2476

>  <Formula> (2,476)
C19H24ClN5OS

>  <MolWeight> (2,476)
405.94476

>  <COMPOUND_NAME> (2,476)
WAY-629204

>  <BAR_CODE_NO> (2,476)
90463491

$$$$
WAY-629233
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
    1.1542   -1.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3458    2.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1375    1.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208    0.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5208    1.7208    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.4833    2.5875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.9583    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208    1.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2750   -0.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8667   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542   -2.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2250    2.1708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4375   -0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167    1.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2750   -1.6792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5792   -1.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8667   -2.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5792   -2.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8667   -0.4417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6875    3.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8458    2.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8667   -3.7417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5083    3.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5792   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5792   -4.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  6  1  0  0  0  0
  3  4  1  0  0  0  0
  4 10  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  3  1  0  0  0  0
  8  3  1  0  0  0  0
  9  1  1  0  0  0  0
 10 14  1  0  0  0  0
 11  1  2  0  0  0  0
 12  1  1  0  0  0  0
 13  2  2  0  0  0  0
 14  9  1  0  0  0  0
 15  4  2  0  0  0  0
 16  9  2  0  0  0  0
 17 11  1  0  0  0  0
 18 12  2  0  0  0  0
 19 18  1  0  0  0  0
 20 11  1  0  0  0  0
 21  6  1  0  0  0  0
 22  5  1  0  0  0  0
 23 18  1  0  0  0  0
 24 21  1  0  0  0  0
 25 20  1  0  0  0  0
 26 23  1  0  0  0  0
 17 19  2  0  0  0  0
  2  5  1  0  0  0  0
 24 22  1  0  0  0  0
M  END
>  <Mol_ID> (2,477)
2477

>  <Formula> (2,477)
C20H24O6

>  <MolWeight> (2,477)
360.40096

>  <COMPOUND_NAME> (2,477)
WAY-629233

>  <BAR_CODE_NO> (2,477)
90463520

$$$$
WAY-629234
csChFnd80/06171916322D

 20 21  0  0  0  0  0  0  0  0999 V2000
    2.2125   -0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4792   -1.3750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4792   -0.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6917   -0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6917   -1.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3875   -0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1500   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9750   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2625    0.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2625   -0.9625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0875    0.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    1.1833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3250    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417    0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417   -2.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7375    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7375    0.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5625    0.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5625    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9750    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  2  0  0  0  0
  3  4  1  0  0  0  0
  4  1  2  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  8  1  0  0  0  0
  8  6  1  0  0  0  0
  9  7  1  0  0  0  0
 10  7  2  0  0  0  0
 11  9  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14  4  1  0  0  0  0
 15  5  1  0  0  0  0
 16 13  1  0  0  0  0
 17 13  2  0  0  0  0
 18 17  1  0  0  0  0
 19 16  2  0  0  0  0
 20 18  2  0  0  0  0
  3  2  1  0  0  0  0
 20 19  1  0  0  0  0
M  END
>  <Mol_ID> (2,478)
2478

>  <Formula> (2,478)
C15H17NO4

>  <MolWeight> (2,478)
275.29978

>  <COMPOUND_NAME> (2,478)
WAY-629234

>  <BAR_CODE_NO> (2,478)
90463521

$$$$
WAY-629256
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.9792    0.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667    1.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458   -1.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7000    1.0708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667   -1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792   -0.1667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333   -2.6375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792    2.3083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7000    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1958   -1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3375   -2.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792   -1.8167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7500   -2.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458    0.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458    2.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1583    1.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1583    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  5  1  0  0  0  0
  4  1  1  0  0  0  0
  5 11  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  9  1  0  0  0  0
  9  4  2  0  0  0  0
 10  2  1  0  0  0  0
 11  6  1  0  0  0  0
 12  3  2  0  0  0  0
 13  7  1  0  0  0  0
 14  5  2  0  0  0  0
 15 12  1  0  0  0  0
 16  2  1  0  0  0  0
 17 10  1  0  0  0  0
 18 16  2  0  0  0  0
 19 18  1  0  0  0  0
  8 10  2  0  0  0  0
 19 17  2  0  0  0  0
 13 15  2  0  0  0  0
M  END
>  <Mol_ID> (2,479)
2479

>  <Formula> (2,479)
C14H10N2O2S

>  <MolWeight> (2,479)
270.3064

>  <COMPOUND_NAME> (2,479)
WAY-629256

>  <BAR_CODE_NO> (2,479)
90463544

$$$$
WAY-629274
csChFnd80/06171916322D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -0.1875    1.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6750    2.6458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917    2.2333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917    3.0583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1875    3.3125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458   -0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458    1.1958    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042   -0.8167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9583   -0.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1500   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    2.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   -0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583   -1.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042   -2.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7625   -1.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9125   -2.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583   -3.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  9  1  0  0  0  0
  7  1  1  0  0  0  0
  8  6  1  0  0  0  0
  9  7  1  0  0  0  0
 10  6  2  0  0  0  0
 11  8  1  0  0  0  0
 12  2  1  0  0  0  0
 13  8  1  0  0  0  0
 14 11  1  0  0  0  0
 15 11  1  0  0  0  0
 16 13  1  0  0  0  0
 17 15  1  0  0  0  0
 18 14  1  0  0  0  0
 19 17  1  0  0  0  0
  5  4  2  0  0  0  0
 19 18  1  0  0  0  0
M  END
>  <Mol_ID> (2,480)
2480

>  <Formula> (2,480)
C12H21N5OS

>  <MolWeight> (2,480)
283.39304

>  <COMPOUND_NAME> (2,480)
WAY-629274

>  <BAR_CODE_NO> (2,480)
90463562

$$$$
WAY-629309
csChFnd80/06171916322D

 27 31  0  0  0  0  0  0  0  0999 V2000
   -2.6281    0.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2143    0.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4695    0.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2143    1.5966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7902   -0.4862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3695    0.1345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5281   -0.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1695    1.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3488    1.5966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9488    0.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2902   -0.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9350    0.7966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0902    0.8586    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9902   -0.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3305    0.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1857    0.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6098   -0.6207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6098    0.8586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4719   -0.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8857   -1.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8857    0.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7305   -1.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7512    0.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1512   -0.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3167   -1.9862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9719   -0.7655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0857   -1.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
 22 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
  5  7  1  0  0  0  0
  9 10  1  0  0  0  0
 12 14  1  0  0  0  0
 23 24  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (2,481)
2481

>  <Formula> (2,481)
C18H13N5O3S

>  <MolWeight> (2,481)
379.39252

>  <COMPOUND_NAME> (2,481)
WAY-629309

>  <BAR_CODE_NO> (2,481)
90463599

$$$$
WAY-629318
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -0.1750   -2.6417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750   -3.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7333   -2.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1917   -3.1750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4375   -2.0917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958   -3.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4750   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042   -4.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5583    3.1125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5292   -3.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167   -4.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000    2.6750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0250   -0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2917    1.1083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2625    1.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0375    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7708    0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5875   -0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083    3.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5375   -2.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792    4.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7875    4.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083    5.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792    4.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  2  0  0  0  0
  7 17  1  0  0  0  0
  8  3  1  0  0  0  0
  9  2  2  0  0  0  0
 10  7  1  0  0  0  0
 11  4  1  0  0  0  0
 12  9  1  0  0  0  0
 13  7  2  0  0  0  0
 14  8  1  0  0  0  0
 15  8  2  0  0  0  0
 16 18  1  0  0  0  0
 17 16  1  0  0  0  0
 18 19  2  0  0  0  0
 19 15  1  0  0  0  0
 20 14  2  0  0  0  0
 21 10  1  0  0  0  0
 22  3  1  0  0  0  0
 23 21  1  0  0  0  0
 24 21  1  0  0  0  0
 25 24  1  0  0  0  0
 26 23  1  0  0  0  0
 11 12  2  0  0  0  0
 18 20  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (2,482)
2482

>  <Formula> (2,482)
C18H22N2O4S2

>  <MolWeight> (2,482)
394.50828

>  <COMPOUND_NAME> (2,482)
WAY-629318

>  <BAR_CODE_NO> (2,482)
90463609

$$$$
WAY-629330
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -1.2250   -1.5542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0083   -0.4792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0083   -1.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458   -0.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2250   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167   -0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7250   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7250   -1.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292    0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917   -0.1750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292   -0.8917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4375   -0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4375   -1.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792   -0.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5542    0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9667    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292    1.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5542    1.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9667    2.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6 10  1  0  0  0  0
  7  2  1  0  0  0  0
  8  3  1  0  0  0  0
  9  6  1  0  0  0  0
 10 14  1  0  0  0  0
 11  6  2  0  0  0  0
 12 13  1  0  0  0  0
 13  8  2  0  0  0  0
 14  4  1  0  0  0  0
 15  9  2  0  0  0  0
 16  9  1  0  0  0  0
 17 15  1  0  0  0  0
 18 16  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
  2  5  1  0  0  0  0
 12  7  2  0  0  0  0
 19 17  2  0  0  0  0
M  END
>  <Mol_ID> (2,483)
2483

>  <Formula> (2,483)
C16H14N2O2

>  <MolWeight> (2,483)
266.29456

>  <COMPOUND_NAME> (2,483)
WAY-629330

>  <BAR_CODE_NO> (2,483)
90463622

$$$$
WAY-629340
csChFnd80/06171916322D

 22 23  0  0  0  0  0  0  0  0999 V2000
    0.3792   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6417   -0.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9375   -2.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083    1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500    3.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208   -1.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0875   -0.3542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7375    3.8958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417    1.8333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4417   -0.7917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292    3.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500    4.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292    4.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208    0.8750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792   -3.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3417    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083    2.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6833   -2.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7417   -2.1917    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.4833   -2.8792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1250   -3.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7375   -3.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  4  1  0  0  0  0
 10  2  2  0  0  0  0
 11  5  2  0  0  0  0
 12  8  1  0  0  0  0
 13 11  1  0  0  0  0
 14  4  2  0  0  0  0
 15  3  1  0  0  0  0
 16  7  1  0  0  0  0
 17  9  1  0  0  0  0
 18  6  2  0  0  0  0
 19  3  1  0  0  0  0
 20 18  1  0  0  0  0
 21 18  1  0  0  0  0
 22 20  1  0  0  0  0
 15 21  2  0  0  0  0
 12 13  2  0  0  0  0
M  END
>  <Mol_ID> (2,484)
2484

>  <Formula> (2,484)
C15H14ClNO4S

>  <MolWeight> (2,484)
339.79396

>  <COMPOUND_NAME> (2,484)
WAY-629340

>  <BAR_CODE_NO> (2,484)
90463632

$$$$
WAY-629354
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    0.1792   -1.2292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708   -2.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833    3.2333    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.3708   -0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208    4.1292    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.4625    1.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7792   -4.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792   -2.6292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083    2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000   -3.9417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0625    3.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7083    4.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833   -2.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042   -4.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9292   -4.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292    4.0292    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.3167   -5.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708   -0.7875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667    1.7333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583    0.8083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5708    5.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2250   -3.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208    0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2875    4.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  9  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6 20  1  0  0  0  0
  7 22  1  0  0  0  0
  8  2  1  0  0  0  0
  9  6  1  0  0  0  0
 10  7  1  0  0  0  0
 11  3  1  0  0  0  0
 12  5  1  0  0  0  0
 13  2  2  0  0  0  0
 14  7  2  0  0  0  0
 15 10  1  0  0  0  0
 16 11  1  0  0  0  0
 17 14  1  0  0  0  0
 18  4  2  0  0  0  0
 19  6  2  0  0  0  0
 20 23  1  0  0  0  0
 21  5  1  0  0  0  0
 22  8  1  0  0  0  0
 23  4  1  0  0  0  0
 24 16  1  0  0  0  0
 15 17  2  0  0  0  0
 12 16  1  0  0  0  0
 24 21  1  0  0  0  0
M  END
>  <Mol_ID> (2,485)
2485

>  <Formula> (2,485)
C17H22N2O5

>  <MolWeight> (2,485)
334.36698

>  <COMPOUND_NAME> (2,485)
WAY-629354

>  <BAR_CODE_NO> (2,485)
90463646

$$$$
WAY-629379
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
    1.1375   -0.8375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958   -0.8375    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.2958   -0.0125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167   -1.2500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5667   -0.0125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8500   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1375   -0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208   -0.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167   -2.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5667   -0.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8500    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208    1.6375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083    1.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208    2.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2792    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958   -2.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1375   -2.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4375    2.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083    2.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1375   -3.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958   -3.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083    3.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4375    3.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208    4.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167   -3.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5 12  1  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8  1  1  0  0  0  0
  9  6  2  0  0  0  0
 10  4  1  0  0  0  0
 11  7  1  0  0  0  0
 12  8  1  0  0  0  0
 13 14  1  0  0  0  0
 14  6  1  0  0  0  0
 15 13  1  0  0  0  0
 16  2  1  0  0  0  0
 17  5  1  0  0  0  0
 18 10  1  0  0  0  0
 19 10  2  0  0  0  0
 20 15  2  0  0  0  0
 21 15  1  0  0  0  0
 22 19  1  0  0  0  0
 23 18  2  0  0  0  0
 24 21  2  0  0  0  0
 25 20  1  0  0  0  0
 26 24  1  0  0  0  0
 27 22  2  0  0  0  0
  5 11  1  0  0  0  0
 27 23  1  0  0  0  0
 26 25  2  0  0  0  0
M  END
>  <Mol_ID> (2,486)
2486

>  <Formula> (2,486)
C22H29N3O2

>  <MolWeight> (2,486)
367.48456

>  <COMPOUND_NAME> (2,486)
WAY-629379

>  <BAR_CODE_NO> (2,486)
90463671

$$$$
WAY-629385
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -0.7583    1.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8125   -1.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458    1.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458    0.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6167   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667   -1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292    0.0083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458    2.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2917    0.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917   -1.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708    0.2208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292    0.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583    2.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7792   -2.7917    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.6792   -1.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6167   -1.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2625    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2500   -0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2583    2.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333   -2.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667   -2.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9292   -2.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9750    1.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5625   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9750    2.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  8  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8 10  1  0  0  0  0
  9  3  2  0  0  0  0
 10  4  1  0  0  0  0
 11  6  2  0  0  0  0
 12  4  2  0  0  0  0
 13  5  2  0  0  0  0
 14  7  1  0  0  0  0
 15 11  1  0  0  0  0
 16  2  1  0  0  0  0
 17  2  1  0  0  0  0
 18  3  1  0  0  0  0
 19  6  1  0  0  0  0
 20  9  1  0  0  0  0
 21 11  1  0  0  0  0
 22 17  1  0  0  0  0
 23 16  1  0  0  0  0
 24 18  2  0  0  0  0
 25 19  2  0  0  0  0
 26 24  1  0  0  0  0
 27 25  1  0  0  0  0
  9 14  1  0  0  0  0
 26 20  2  0  0  0  0
 23 22  1  0  0  0  0
 27 21  2  0  0  0  0
M  END
>  <Mol_ID> (2,487)
2487

>  <Formula> (2,487)
C22H22FNO3

>  <MolWeight> (2,487)
367.4133832

>  <COMPOUND_NAME> (2,487)
WAY-629385

>  <BAR_CODE_NO> (2,487)
90463677

$$$$
WAY-629389
csChFnd80/06171916322D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -0.2750   -2.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583   -2.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2750   -3.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333   -1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042   -2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167    0.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167   -0.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667    1.4083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3375   -1.2125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1250    0.4583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208    3.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333    0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333   -4.2917    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.6167    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3625    2.8083    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.4208    3.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417    3.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3625    4.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  2  0  0  0  0
  6  5  1  0  0  0  0
  7 13  1  0  0  0  0
  8  4  1  0  0  0  0
  9  7  1  0  0  0  0
 10  4  2  0  0  0  0
 11  7  2  0  0  0  0
 12 16  1  0  0  0  0
 13  8  1  0  0  0  0
 14  3  1  0  0  0  0
 15  9  1  0  0  0  0
 16 15  1  0  0  0  0
 17 12  1  0  0  0  0
 18 16  1  0  0  0  0
 19 18  1  0  0  0  0
  6  3  2  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (2,488)
2488

>  <Formula> (2,488)
C12H14BrNO5

>  <MolWeight> (2,488)
332.14726

>  <COMPOUND_NAME> (2,488)
WAY-629389

>  <BAR_CODE_NO> (2,488)
90463682

$$$$
WAY-629396
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
    1.9292   -0.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4417   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7125   -0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6750    0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7125   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6167   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9292   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0958    0.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2250    0.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667    0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042   -0.5167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5833    0.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8583    0.1958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042   -1.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5833    1.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3625    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3625    1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6208    0.9083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6208   -0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2708    0.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0292    0.6583    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167   -0.2167    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.6750   -2.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667    1.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9667    1.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6125    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  2  2  0  0  0  0
  8 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10  4  1  0  0  0  0
 11  4  2  0  0  0  0
 12  6  1  0  0  0  0
 13  9  1  0  0  0  0
 14  8  1  0  0  0  0
 15  6  2  0  0  0  0
 16  9  2  0  0  0  0
 17 13  1  0  0  0  0
 18 16  1  0  0  0  0
 19  8  2  0  0  0  0
 20 12  1  0  0  0  0
 21 14  1  0  0  0  0
 22 10  1  0  0  0  0
 23 11  1  0  0  0  0
 24  7  1  0  0  0  0
 25 27  2  0  0  0  0
 26 10  2  0  0  0  0
 27 11  1  0  0  0  0
  5  7  1  0  0  0  0
 25 26  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (2,489)
2489

>  <Formula> (2,489)
C18H14ClFN2O5

>  <MolWeight> (2,489)
392.7655632

>  <COMPOUND_NAME> (2,489)
WAY-629396

>  <BAR_CODE_NO> (2,489)
90463689

$$$$
WAY-629432
csChFnd80/06171916322D

 22 25  0  0  0  0  0  0  0  0999 V2000
   -1.5208   -0.1542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.6625    0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042    0.8833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2250    0.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4125    0.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583   -0.5417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4125   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1625   -0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042   -0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7375   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9833   -0.0042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708    0.6083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9583   -0.8667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2875    1.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4667    0.1583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6917    1.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5208    0.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0958    1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542   -1.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417   -1.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5917   -1.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  8  1  0  0  0  0
  3  5  1  0  0  0  0
  4  1  1  0  0  0  0
  5 16  1  0  0  0  0
  6  1  1  0  0  0  0
  7 10  1  0  0  0  0
  8  7  1  0  0  0  0
  9  6  1  0  0  0  0
 10  9  2  0  0  0  0
 11  4  1  0  0  0  0
 12  1  2  0  0  0  0
 13  1  2  0  0  0  0
 14  4  2  0  0  0  0
 15  2  2  0  0  0  0
 16 18  2  0  0  0  0
 17 11  1  0  0  0  0
 18  9  1  0  0  0  0
 19 14  1  0  0  0  0
 20 22  1  0  0  0  0
 21 10  1  0  0  0  0
 22 21  2  0  0  0  0
 17 19  2  0  0  0  0
  5  7  2  0  0  0  0
  3  2  1  0  0  0  0
 20  8  2  0  0  0  0
M  END
>  <Mol_ID> (2,490)
2490

>  <Formula> (2,490)
C15H10N2O3S2

>  <MolWeight> (2,490)
330.3815

>  <COMPOUND_NAME> (2,490)
WAY-629432

>  <BAR_CODE_NO> (2,490)
90463730

$$$$
WAY-629434
csChFnd80/06171916322D

 20 21  0  0  0  0  0  0  0  0999 V2000
    0.3542    0.5833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542   -0.2417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583   -0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583   -1.4792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542    1.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1792    0.5833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4708    0.5833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0750   -0.2417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0750   -1.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542   -1.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667    1.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583    1.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583    2.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667    2.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542    3.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0750   -2.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542   -2.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583   -3.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542    3.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583   -3.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  2  0  0  0  0
  7  1  2  0  0  0  0
  8  3  2  0  0  0  0
  9  4  1  0  0  0  0
 10  4  1  0  0  0  0
 11  5  1  0  0  0  0
 12  5  2  0  0  0  0
 13 12  1  0  0  0  0
 14 11  2  0  0  0  0
 15 13  2  0  0  0  0
 16  9  1  0  0  0  0
 17 10  1  0  0  0  0
 18 17  1  0  0  0  0
 19 15  1  0  0  0  0
 20 18  1  0  0  0  0
 15 14  1  0  0  0  0
 18 16  1  0  0  0  0
M  END
>  <Mol_ID> (2,491)
2491

>  <Formula> (2,491)
C14H20N2O3S

>  <MolWeight> (2,491)
296.3852

>  <COMPOUND_NAME> (2,491)
WAY-629434

>  <BAR_CODE_NO> (2,491)
90463732

$$$$
WAY-629493
csChFnd80/06171916322D

 28 30  0  0  0  0  0  0  0  0999 V2000
    0.2542    0.9458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1750   -1.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542    2.5958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4625   -1.1167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1750   -2.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4625   -0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667    1.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4625    1.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667   -0.2917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8958   -1.1167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542    3.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8958   -2.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4625   -2.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4625    2.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667    2.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1750   -4.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8958   -3.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4625   -3.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667    3.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1750   -4.8292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4625   -5.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6792    3.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667    4.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4625   -6.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6792    5.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3917    3.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3917    4.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  5  1  0  0  0  0
  4 15  1  0  0  0  0
  5  7  1  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8  1  1  0  0  0  0
  9  1  1  0  0  0  0
 10  2  2  0  0  0  0
 11  3  2  0  0  0  0
 12  4  1  0  0  0  0
 13  6  2  0  0  0  0
 14  6  1  0  0  0  0
 15  9  1  0  0  0  0
 16  8  1  0  0  0  0
 17 19  1  0  0  0  0
 18 13  1  0  0  0  0
 19 14  2  0  0  0  0
 20 12  1  0  0  0  0
 21 17  1  0  0  0  0
 22 21  1  0  0  0  0
 23 20  1  0  0  0  0
 24 20  2  0  0  0  0
 25 22  1  0  0  0  0
 26 24  1  0  0  0  0
 27 23  2  0  0  0  0
 28 26  2  0  0  0  0
  4 16  1  0  0  0  0
 17 18  2  0  0  0  0
 28 27  1  0  0  0  0
M  END
>  <Mol_ID> (2,492)
2492

>  <Formula> (2,492)
C22H27N3O3

>  <MolWeight> (2,492)
381.46808

>  <COMPOUND_NAME> (2,492)
WAY-629493

>  <BAR_CODE_NO> (2,492)
90463792

$$$$
WAY-629529-A
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
    7.2042    0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7167    1.1083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0750    0.0250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7167   -0.2292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7917   -0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9292    0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3625   -0.3875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9292    0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5042    0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3625   -1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7917   -1.2125    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.2167   -0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0292    0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0750   -1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5042    0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2167    1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.6250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4417    1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4417   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6792    0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2667    1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2667   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5042    0.4375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5042   -1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9167    1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  5  2  0  0  0  0
  4  1  1  0  0  0  0
  5  9  1  0  0  0  0
  6  4  1  0  0  0  0
  7  3  1  0  0  0  0
  8  2  1  0  0  0  0
  9 12  2  0  0  0  0
 10 14  1  0  0  0  0
 11  5  1  0  0  0  0
 12  6  1  0  0  0  0
 13  1  1  0  0  0  0
 14 11  1  0  0  0  0
 15 16  2  0  0  0  0
 16  8  1  0  0  0  0
 17 10  2  0  0  0  0
 18 13  1  0  0  0  0
 19 13  2  0  0  0  0
 20 22  2  0  0  0  0
 21 18  2  0  0  0  0
 22 19  1  0  0  0  0
 23 20  1  0  0  0  0
 24 11  1  0  0  0  0
 25 23  1  0  0  0  0
  6  8  2  0  0  0  0
 21 20  1  0  0  0  0
  9 15  1  0  0  0  0
 10  7  1  0  0  0  0
M  END
>  <Mol_ID> (2,493)
2493

>  <Formula> (2,493)
C19H18N4O2

>  <MolWeight> (2,493)
334.37182

>  <COMPOUND_NAME> (2,493)
WAY-629529-A

>  <BAR_CODE_NO> (2,493)
90611010

$$$$
WAY-629533
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.1748    0.2014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0382   -0.3656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1612    0.7024    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4268   -0.7226    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9278   -0.3806    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7478    0.1864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6742    0.3634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3368    1.0444    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4972    1.2214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4418   -1.3136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6052   -0.5126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1048    0.6874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2302    1.7554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0882    1.1644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0712   -1.6136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9608   -1.6136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5542    2.2324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9758   -2.2016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0532   -2.2166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4272    1.6654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1392    2.1994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4418   -2.4836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  7  3  2  0  0  0  0
  8  3  2  0  0  0  0
  9  3  1  0  0  0  0
 10  4  1  0  0  0  0
 11  2  1  0  0  0  0
 12  6  1  0  0  0  0
  9 13  2  0  0  0  0
 14  9  1  0  0  0  0
 10 15  2  0  0  0  0
 16 10  1  0  0  0  0
 17 13  1  0  0  0  0
 18 16  2  0  0  0  0
 19 15  1  0  0  0  0
 20 14  2  0  0  0  0
 21 20  1  0  0  0  0
 22 18  1  0  0  0  0
  5  4  1  0  0  0  0
 17 21  2  0  0  0  0
 19 22  2  0  0  0  0
M  END
>  <Mol_ID> (2,494)
2494

>  <Formula> (2,494)
C16H14N2O3S

>  <MolWeight> (2,494)
314.35896

>  <COMPOUND_NAME> (2,494)
WAY-629533

>  <BAR_CODE_NO> (2,494)
90463836

$$$$
WAY-629547
csChFnd80/06171916322D

 18 19  0  0  0  0  0  0  0  0999 V2000
    0.7250    0.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542   -0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3625   -1.1625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6375    1.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3625   -0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1500   -1.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6333   -0.7500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958    0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1500   -0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042    1.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1417    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1417   -1.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0542    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5625   -0.8542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208    1.4583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4083   -2.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7250    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  6  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  2  0  0  0  0
  6  9  1  0  0  0  0
  7  3  2  0  0  0  0
  8 10  1  0  0  0  0
  9  2  1  0  0  0  0
 10  6  2  0  0  0  0
 11  5  1  0  0  0  0
 12  4  2  0  0  0  0
 13  2  2  0  0  0  0
 14 11  2  0  0  0  0
 15  4  1  0  0  0  0
 16  5  1  0  0  0  0
 17  7  1  0  0  0  0
 18 14  1  0  0  0  0
 14 12  1  0  0  0  0
  8  7  1  0  0  0  0
M  END
>  <Mol_ID> (2,495)
2495

>  <Formula> (2,495)
C13H13NO3S

>  <MolWeight> (2,495)
263.31222

>  <COMPOUND_NAME> (2,495)
WAY-629547

>  <BAR_CODE_NO> (2,495)
90463854

$$$$
WAY-629609
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
    0.1667   -2.3667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.5667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1583   -2.2292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458   -2.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8917    2.6333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8208   -1.4792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3750    3.2958    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.1042    2.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417    1.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5500   -0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042    3.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8917    3.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2917   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333   -3.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917    1.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9542    1.6708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8500    0.4458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083    0.0083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917    3.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083    2.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083    4.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3833   -3.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0375   -4.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208    2.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208    3.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0500   -4.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4708   -4.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -5.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  2  0  0  0  0
  5  9  1  0  0  0  0
  6  2  1  0  0  0  0
  7  5  1  0  0  0  0
  8  5  1  0  0  0  0
  9 15  1  0  0  0  0
 10  2  1  0  0  0  0
 11  8  2  0  0  0  0
 12  7  1  0  0  0  0
 13 10  1  0  0  0  0
 14  4  1  0  0  0  0
 15 17  1  0  0  0  0
 16  9  2  0  0  0  0
 17 13  1  0  0  0  0
 18 13  2  0  0  0  0
 19  7  1  0  0  0  0
 20  8  1  0  0  0  0
 21 11  1  0  0  0  0
 22 14  1  0  0  0  0
 23 14  2  0  0  0  0
 24 20  2  0  0  0  0
 25 24  1  0  0  0  0
 26 23  1  0  0  0  0
 27 22  2  0  0  0  0
 28 26  2  0  0  0  0
  3  6  2  0  0  0  0
 28 27  1  0  0  0  0
 11 12  1  0  0  0  0
 25 21  2  0  0  0  0
M  END
>  <Mol_ID> (2,496)
2496

>  <Formula> (2,496)
C20H19N5O3

>  <MolWeight> (2,496)
377.39656

>  <COMPOUND_NAME> (2,496)
WAY-629609

>  <BAR_CODE_NO> (2,496)
90463917

$$$$
WAY-312781
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -1.9209   -0.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1588    0.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3105    0.2379    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6899   -0.9241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6519    1.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8899    0.6621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7002   -0.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9381   -0.9241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8830    1.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1209    1.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0101    0.0241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6209    1.9379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7274    0.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3895   -0.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7274   -0.4759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0412    0.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3895   -0.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6895   -0.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0412   -1.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6895   -0.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2791   -1.1862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8998   -0.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
  7  8  2  0  0  0  0
 10 12  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (2,497)
2497

>  <Formula> (2,497)
C16H13N3O2S

>  <MolWeight> (2,497)
311.35832

>  <COMPOUND_NAME> (2,497)
WAY-312781

>  <BAR_CODE_NO> (2,497)
3917487

$$$$
WAY-345894
csChFnd80/06171916322D

 19 20  0  0  0  0  0  0  0  0999 V2000
   13.1792   -4.8792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3417   -4.9042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   14.2250   -3.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2667   -6.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3917   -3.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9792   -3.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -5.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4542   -6.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3125   -1.7375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5667   -3.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6292   -6.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7375   -1.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9292   -8.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6417   -1.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6542   -4.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7500   -8.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8250   -5.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9292   -8.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9542   -6.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  2  0  0  0  0
  7  4  2  0  0  0  0
  8  2  1  0  0  0  0
  9  5  2  0  0  0  0
 10  5  1  0  0  0  0
 11  8  1  0  0  0  0
 12  3  1  0  0  0  0
 13  4  1  0  0  0  0
 14 10  1  0  0  0  0
 15 11  1  0  0  0  0
 16 11  2  0  0  0  0
 17 15  2  0  0  0  0
 18 16  1  0  0  0  0
 19 18  2  0  0  0  0
  6  7  1  0  0  0  0
 19 17  1  0  0  0  0
M  END
>  <Mol_ID> (2,498)
2498

>  <Formula> (2,498)
C16H19NO2

>  <MolWeight> (2,498)
257.32756

>  <COMPOUND_NAME> (2,498)
WAY-345894

>  <BAR_CODE_NO> (2,498)
2554760

$$$$
WAY-313284
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
    3.6358    2.1462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4290    2.8669    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6358    0.7368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2119    0.7368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4290    0.0641    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2119    2.1462    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8635    2.8509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4290    4.2764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0808    2.1462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0321    0.0481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2119    4.9544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8796    4.2603    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2119    6.3264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8635    0.0481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2981    2.8242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6623    4.9650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0151    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5046    2.1141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6358    6.3638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4290    7.0526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4672    0.7261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7059    2.7868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9071    2.0716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6578    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9018    0.6727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  5  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  7  1  0  0  0  0
 10  4  2  0  0  0  0
 11  8  1  0  0  0  0
 12  7  2  0  0  0  0
 13 11  2  0  0  0  0
 14  3  1  0  0  0  0
 15  9  1  0  0  0  0
 16  8  2  0  0  0  0
 17 13  1  0  0  0  0
 18 15  1  0  0  0  0
 19 16  1  0  0  0  0
 20 19  2  0  0  0  0
 21 17  1  0  0  0  0
 22 18  1  0  0  0  0
 23 18  1  0  0  0  0
 24 23  1  0  0  0  0
 25 22  1  0  0  0  0
 26 24  1  0  0  0  0
  4  6  1  0  0  0  0
 20 13  1  0  0  0  0
 26 25  1  0  0  0  0
M  END
>  <Mol_ID> (2,499)
2499

>  <Formula> (2,499)
C20H26N2O4

>  <MolWeight> (2,499)
358.43144

>  <COMPOUND_NAME> (2,499)
WAY-313284

>  <BAR_CODE_NO> (2,499)
3918141

$$$$
WAY-311621
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.0759    0.0138    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.5655    0.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7345    0.1483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0759   -0.8103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5655    1.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2793    0.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1207    0.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2207   -0.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -1.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6241   -1.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0483    1.8345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2793    1.7483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9897    0.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7586    1.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0103   -0.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2138   -1.3379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8034   -2.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6207   -2.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9897    1.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7138    0.0966    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.2621    2.3345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7207   -0.6759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1000   -2.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  2  0  0  0  0
  9 17  1  0  0  0  0
 10 18  2  0  0  0  0
 12 19  1  0  0  0  0
 13 20  1  0  0  0  0
 14 21  2  0  0  0  0
 15 22  1  0  0  0  0
 17 23  2  0  0  0  0
 11 14  1  0  0  0  0
 13 19  2  0  0  0  0
 18 23  1  0  0  0  0
M  END
>  <Mol_ID> (2,500)
2500

>  <Formula> (2,500)
C18H17BrN2O2

>  <MolWeight> (2,500)
373.24378

>  <COMPOUND_NAME> (2,500)
WAY-311621

>  <BAR_CODE_NO> (2,500)
3916053

$$$$
WAY-218800
csChFnd80/06171916322D

 17 19  0  0  0  0  0  0  0  0999 V2000
    1.7201   -0.0807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5615    0.6434    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3891   -1.3980    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7925   -0.9186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9097    1.2676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4765   -0.2359    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0304   -1.4945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0546   -0.4117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1753    1.7779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7972    0.0952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6903   -2.6497    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.2477    0.9365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7454   -0.8773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1730    1.4055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0627   -0.5497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4937    1.7365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4420    0.7538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
  6  7  1  0  0  0  0
  9 12  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (2,501)
2501

>  <Formula> (2,501)
C13H17N3S

>  <MolWeight> (2,501)
247.35918

>  <COMPOUND_NAME> (2,501)
WAY-218800

>  <BAR_CODE_NO> (2,501)
3917446

$$$$
WAY-312769
csChFnd80/06171916322D

 21 22  0  0  0  0  0  0  0  0999 V2000
    0.1586   -0.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1483   -0.2414    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.1586   -0.7724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4621   -0.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1483    0.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4483   -0.4103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1483   -0.9414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4621   -0.9517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7862   -0.4103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4621    0.1241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4483    0.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1586    0.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4483   -0.7724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7862   -0.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4483    0.6483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1586    0.6483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7621   -0.9517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1483    0.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1483    1.1862    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.4483    1.3483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1517    1.3483    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  2  0  0  0  0
 15 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
  7 13  1  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (2,502)
2502

>  <Formula> (2,502)
C13H13N3O5

>  <MolWeight> (2,502)
291.25942

>  <COMPOUND_NAME> (2,502)
WAY-312769

>  <BAR_CODE_NO> (2,502)
3917470

$$$$
WAY-310339
csChFnd80/06171916322D

 24 28  0  0  0  0  0  0  0  0999 V2000
   -0.5862    0.3724    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.5862   -0.4517    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.1241    0.7828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000    0.7828    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.1241   -0.8655    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.3000   -0.8069    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.8448    0.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1241    1.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5138   -0.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0138    0.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8483   -0.4517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1241   -1.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0138   -0.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5621    0.7828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8448    2.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8448   -2.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5931   -2.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5621    1.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8379    2.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8379   -2.9310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5862   -2.9310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5621    3.2793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1241    3.2724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1241   -3.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  2  0  0  0  0
  8 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  2  0  0  0  0
 17 21  1  0  0  0  0
 19 22  1  0  0  0  0
 19 23  2  0  0  0  0
 20 24  1  0  0  0  0
  6  9  1  0  0  0  0
  7 11  1  0  0  0  0
 10 13  1  0  0  0  0
 15 18  2  0  0  0  0
 21 24  2  0  0  0  0
M  END
>  <Mol_ID> (2,503)
2503

>  <Formula> (2,503)
C21H21NO2

>  <MolWeight> (2,503)
319.39694

>  <COMPOUND_NAME> (2,503)
WAY-310339

>  <BAR_CODE_NO> (2,503)
3914546

$$$$
CL-254606
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.3685   -1.2804    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.0819   -1.7623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2804   -2.5324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6205   -0.3685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0898    0.1701    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0819   -3.3072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4096   -0.9874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3685   -3.7844    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8253   -2.5324    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4646    1.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4096   -4.0821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7561   -1.7623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7214    2.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0425    1.7765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7561   -3.3072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1026   -0.9874    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.7214    3.6002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1860    1.5733    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1860    4.0821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1026    2.8253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  2  0  0  0  0
  4 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  2  0  0  0  0
 10 13  1  0  0  0  0
 10 14  2  0  0  0  0
 11 15  2  0  0  0  0
 12 16  1  0  0  0  0
 13 17  2  0  0  0  0
 13 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
  6  8  1  0  0  0  0
 12 15  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (2,504)
2504

>  <Formula> (2,504)
C14H10BrNO4

>  <MolWeight> (2,504)
336.1375

>  <COMPOUND_NAME> (2,504)
CL-254606

>  <BAR_CODE_NO> (2,504)
3915650

$$$$
WAY-344125
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    8.5917   -4.4292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000   -4.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5792   -6.0667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3792   -5.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7750   -6.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5500   -4.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5792   -5.3417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.0000   -7.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3875   -6.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2042   -7.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4292   -4.6167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1792   -6.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7500   -2.2125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9875   -5.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8875   -3.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7917   -6.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4000   -8.4500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.6917   -2.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1875   -5.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.3417    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.4792   -3.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6375   -2.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8  9  2  0  0  0  0
  9 12  1  0  0  0  0
 10  8  1  0  0  0  0
 11  6  2  0  0  0  0
 12  7  1  0  0  0  0
 13 18  2  0  0  0  0
 14  9  1  0  0  0  0
 15  1  1  0  0  0  0
 16 19  1  0  0  0  0
 17  8  1  0  0  0  0
 18  6  1  0  0  0  0
 19 14  2  0  0  0  0
 20 16  1  0  0  0  0
 21 11  1  0  0  0  0
 22 13  1  0  0  0  0
  3  5  1  0  0  0  0
 21 22  2  0  0  0  0
 10 16  2  0  0  0  0
M  END
>  <Mol_ID> (2,505)
2505

>  <Formula> (2,505)
C14H11BrFN5S

>  <MolWeight> (2,505)
380.2380432

>  <COMPOUND_NAME> (2,505)
WAY-344125

>  <BAR_CODE_NO> (2,505)
2554382

$$$$
WAY-221828
csChFnd80/06171916322D

 21 22  0  0  0  0  0  0  0  0999 V2000
    4.7395    4.3220    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.5035    3.6100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9837    3.6100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5035    2.1692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7068    5.7056    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2839    1.4818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4872    6.3849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9646    0.1065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7068    1.4818    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0722    2.1692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5895    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4626    7.7684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2062    2.3658    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.6713    4.8623    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2199    2.8977    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.6413    8.4560    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.2839    5.6727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2103    8.4477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0722    6.2949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0314    7.7110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  5  1  0  0  0  0
  8  6  1  0  0  0  0
  9  4  2  0  0  0  0
 10  6  2  0  0  0  0
 11  8  1  0  0  0  0
 12  7  2  0  0  0  0
 13 10  1  0  0  0  0
 14  3  1  0  0  0  0
 15  3  1  0  0  0  0
 16  3  1  0  0  0  0
 17 12  1  0  0  0  0
 18  7  1  0  0  0  0
 19 12  1  0  0  0  0
 20 18  2  0  0  0  0
 21 20  1  0  0  0  0
 19 21  2  0  0  0  0
 13 11  2  0  0  0  0
M  END
>  <Mol_ID> (2,506)
2506

>  <Formula> (2,506)
C13H10Cl3FN2O2

>  <MolWeight> (2,506)
351.5881032

>  <COMPOUND_NAME> (2,506)
WAY-221828

>  <BAR_CODE_NO> (2,506)
3917360

$$$$
GI-1046
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -0.0933    0.8241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3757    0.5138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6140    0.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0757    1.3759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3757   -0.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8239    0.8552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7140    0.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6239    1.3759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1036   -0.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8653   -0.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3653    0.7138    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2450   -0.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2830   -0.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0830   -0.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8757   -0.8655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3347   -0.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3830   -0.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3860   -1.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9140   -1.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  2  0  0  0  0
  7 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  2  0  0  0  0
 12 16  1  0  0  0  0
 13 17  2  0  0  0  0
 14 18  2  0  0  0  0
 16 19  2  0  0  0  0
  6  8  1  0  0  0  0
 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (2,507)
2507

>  <Formula> (2,507)
C15H13N3S

>  <MolWeight> (2,507)
267.34882

>  <COMPOUND_NAME> (2,507)
GI-1046

>  <BAR_CODE_NO> (2,507)
3917811

$$$$
WAY-312120
csChFnd80/06171916322D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -1.5042    0.3609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5042   -0.9598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2422    0.7816    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6766    0.9747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2422   -1.3703    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5663   -1.6599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5372   -0.2772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7973    0.2678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7387   -1.0496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8303   -0.5460    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7096    0.4402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0096    0.1747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2923    1.6954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8923    1.1678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
  5  7  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <Mol_ID> (2,508)
2508

>  <Formula> (2,508)
C10H14N2OS

>  <MolWeight> (2,508)
210.29596

>  <COMPOUND_NAME> (2,508)
WAY-312120

>  <BAR_CODE_NO> (2,508)
3916700

$$$$
WAY-311226
csChFnd80/06171916322D

 32 35  0  0  0  0  0  0  0  0999 V2000
    0.0276   -0.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6414    0.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6931    0.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0276   -0.9034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3103   -0.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6414    1.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3690   -0.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6931    1.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6414   -1.2897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3103   -0.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9931    0.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3103    1.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0414    0.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3690    1.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0207   -1.3345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9931    1.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0414    1.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7448   -0.1655    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7310   -0.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7448    1.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4586   -0.5517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1793    0.5483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3586   -0.8724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7310   -0.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4069   -1.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1069   -0.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4069    0.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0724   -0.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7690   -0.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0724   -0.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3931   -0.1172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7414    0.2621    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  2  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  0  0  0  0
 15 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 18 22  2  0  0  0  0
 18 23  2  0  0  0  0
 19 24  2  0  0  0  0
 19 25  1  0  0  0  0
 21 26  1  0  0  0  0
 24 27  1  0  0  0  0
 25 28  2  0  0  0  0
 26 29  1  0  0  0  0
 27 30  2  0  0  0  0
 29 31  1  0  0  0  0
 30 32  1  0  0  0  0
  9 10  2  0  0  0  0
 12 16  1  0  0  0  0
 14 17  2  0  0  0  0
 28 30  1  0  0  0  0
M  END
>  <Mol_ID> (2,509)
2509

>  <Formula> (2,509)
C23H21FN4O3S

>  <MolWeight> (2,509)
452.5012432

>  <COMPOUND_NAME> (2,509)
WAY-311226

>  <BAR_CODE_NO> (2,509)
3915595

$$$$
WAY-310822
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
    0.7862   -0.8276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3724   -1.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6552   -0.8276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3724   -0.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4862   -1.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0655   -0.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4862   -0.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9138   -0.8276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9138   -2.3069    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.9241   -0.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6345    0.6655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7655   -0.8276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3448    0.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3552   -0.8276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1931   -0.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1931    0.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1931   -0.8276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0448   -0.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7655    0.6655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6241   -0.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4759    0.6655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4724   -0.0862    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.3448    0.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0448    1.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7552    1.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4759    2.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3276    2.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  2  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 15 19  2  0  0  0  0
 16 20  1  0  0  0  0
 18 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
  7  8  1  0  0  0  0
 17 20  2  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (2,510)
2510

>  <Formula> (2,510)
C20H21Cl2N3O2

>  <MolWeight> (2,510)
406.30564

>  <COMPOUND_NAME> (2,510)
WAY-310822

>  <BAR_CODE_NO> (2,510)
3915102

$$$$
WAY-313318
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -0.5207    1.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000    0.9138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5207    1.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1724    0.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6414    1.5172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4276    0.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000    2.1276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1724    2.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8207    1.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0724   -0.3621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8207    1.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1621   -1.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8931   -1.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3379   -1.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1276   -1.9448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000   -0.6724    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.1069   -2.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6276   -2.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8621   -2.0966    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  6 10  1  0  0  0  0
  8 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
  5  7  2  0  0  0  0
  9 11  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (2,511)
2511

>  <Formula> (2,511)
C13H10Cl2N4

>  <MolWeight> (2,511)
293.1513

>  <COMPOUND_NAME> (2,511)
WAY-313318

>  <BAR_CODE_NO> (2,511)
3918184

$$$$
WAY-231166
csChFnd80/06171916322D

 22 23  0  0  0  0  0  0  0  0999 V2000
    8.3996    7.6629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7494    8.7870    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7494    8.0421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0497    8.0421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0497    8.7870    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1129    7.6629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1129    6.8502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3996    6.9180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4717    8.0421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3996    6.1641    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8216    8.4078    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4086    6.4439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8081    7.5410    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4086    5.6313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9978    9.1256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1129    5.2250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.4876    9.1031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7043    6.8502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8646    8.6832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7133    5.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.4439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0090    5.6313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  4  1  0  0  0  0
  6  3  1  0  0  0  0
  7  6  2  0  0  0  0
  8  1  1  0  0  0  0
  9  6  1  0  0  0  0
 10  8  3  0  0  0  0
 11  9  3  0  0  0  0
 12  7  1  0  0  0  0
 13  4  1  0  0  0  0
 14 12  2  0  0  0  0
 15  5  1  0  0  0  0
 16 14  1  0  0  0  0
 17 19  1  0  0  0  0
 18 12  1  0  0  0  0
 19 15  1  0  0  0  0
 20 14  1  0  0  0  0
 21 18  2  0  0  0  0
 22 21  1  0  0  0  0
  5  2  1  0  0  0  0
 20 22  2  0  0  0  0
M  END
>  <Mol_ID> (2,512)
2512

>  <Formula> (2,512)
C15H12ClN5O

>  <MolWeight> (2,512)
313.74168

>  <COMPOUND_NAME> (2,512)
WAY-231166

>  <BAR_CODE_NO> (2,512)
3917886

$$$$
WAY-314569
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
    2.5917   -1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9500   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500   -1.9917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7292   -2.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000   -3.2917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2542    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8292   -3.7750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.1375    2.3833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7167    0.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3458    1.3500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2167    1.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1000    3.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6417    3.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  4  1  0  0  0  0
  9 12  1  0  0  0  0
 10  7  1  0  0  0  0
 11  7  2  0  0  0  0
 12  6  2  0  0  0  0
 13 15  2  0  0  0  0
 14 10  2  0  0  0  0
 15 11  1  0  0  0  0
 16 13  1  0  0  0  0
 17  6  1  0  0  0  0
 18 19  1  0  0  0  0
 19 17  2  0  0  0  0
  5  3  1  0  0  0  0
 13 14  1  0  0  0  0
  9 18  2  0  0  0  0
M  END
>  <Mol_ID> (2,513)
2513

>  <Formula> (2,513)
C13H9ClN4S

>  <MolWeight> (2,513)
288.75536

>  <COMPOUND_NAME> (2,513)
WAY-314569

>  <BAR_CODE_NO> (2,513)
1364216

$$$$
WAY-231395
csChFnd80/06171916322D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -0.6928   -0.4549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7348    0.3865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1652    0.3865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7342   -2.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1762   -0.4031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0762    2.0348    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6342   -0.4549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2238    2.2969    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.1652   -2.9549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4141    0.7279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7348    2.1969    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6342   -2.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1141    0.4451    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
 10 13  2  0  0  0  0
  9 12  2  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <Mol_ID> (2,514)
2514

>  <Formula> (2,514)
C8H5ClN2OS

>  <MolWeight> (2,514)
212.6561

>  <COMPOUND_NAME> (2,514)
WAY-231395

>  <BAR_CODE_NO> (2,514)
3917752

$$$$
WAY-312910
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -0.4690    0.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3172    0.3034    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.7207    1.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1379    0.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8621    0.9172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5621   -0.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5379    1.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1828    1.8552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7828    0.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1862   -0.8034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6138    1.6828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6621    0.7483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0172   -1.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3621   -0.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0862    1.8552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5828    0.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1655    2.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9172   -0.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2000    1.3483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2655   -1.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6138   -1.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8862    1.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1379    0.9310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0517   -2.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2931   -2.8034    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.0793   -3.0034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7310   -3.3966    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  6 13  2  0  0  0  0
  6 14  1  0  0  0  0
  7 15  1  0  0  0  0
  9 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
 12 19  2  0  0  0  0
 13 20  1  0  0  0  0
 14 21  2  0  0  0  0
 15 22  2  0  0  0  0
 16 23  2  0  0  0  0
 20 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
  7  9  2  0  0  0  0
  8 11  1  0  0  0  0
 21 24  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (2,515)
2515

>  <Formula> (2,515)
C21H16N2O4

>  <MolWeight> (2,515)
360.36274

>  <COMPOUND_NAME> (2,515)
WAY-312910

>  <BAR_CODE_NO> (2,515)
3917643

$$$$
WAY-311578
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.0552    0.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0448    1.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6655    0.0414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7690    0.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6655    1.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7276    1.8793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3793    0.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9414    0.8172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7690   -0.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3793    1.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4414    1.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6207    1.8724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0586   -1.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4931   -1.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0655   -2.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6552   -0.7690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4966   -2.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7828   -2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7552   -0.7828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  2  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (2,516)
2516

>  <Formula> (2,516)
C15H18N2O2

>  <MolWeight> (2,516)
258.31562

>  <COMPOUND_NAME> (2,516)
WAY-311578

>  <BAR_CODE_NO> (2,516)
3915993

$$$$
WAY-312682
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.7738    0.6908    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4400    0.6805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8117    0.0908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1462    1.8288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4883    0.0736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8124    1.8219    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8117   -1.1264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8497    0.6908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1669    2.5219    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3014    2.2184    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4883   -1.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5262    0.6736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8497   -1.7264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8979    0.0805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5262   -1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4400   -1.7506    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.5745    0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8979   -1.1161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5745   -1.1264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6366   -1.7264    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  1  0  0  0  0
 12 17  2  0  0  0  0
 13 18  1  0  0  0  0
 15 19  2  0  0  0  0
 19 20  1  0  0  0  0
  6  9  1  0  0  0  0
 14 18  2  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (2,517)
2517

>  <Formula> (2,517)
C14H9Cl2N3S

>  <MolWeight> (2,517)
322.21236

>  <COMPOUND_NAME> (2,517)
WAY-312682

>  <BAR_CODE_NO> (2,517)
3917345

$$$$
WAY-312679
csChFnd80/06171916322D

 22 26  0  0  0  0  0  0  0  0999 V2000
   -0.0690    0.4034    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.0690   -0.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5793    0.7862    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.3793    0.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7310    1.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5793   -0.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7207   -0.7241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5793    1.5379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2310    0.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3793   -0.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0310    0.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0793    1.9138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2310   -0.3483    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.5793   -1.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7448    1.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0310   -0.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6793    0.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7448   -0.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2276   -1.8483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6793   -0.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690   -0.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0828   -1.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4 10  2  0  0  0  0
  4 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  8 15  1  0  0  0  0
 10 16  1  0  0  0  0
 11 17  2  0  0  0  0
 13 18  1  0  0  0  0
 14 19  2  0  0  0  0
 16 20  2  0  0  0  0
 18 21  2  0  0  0  0
 21 22  1  0  0  0  0
  7 10  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 15 18  1  0  0  0  0
 17 20  1  0  0  0  0
M  END
>  <Mol_ID> (2,518)
2518

>  <Formula> (2,518)
C19H20N2O

>  <MolWeight> (2,518)
292.3749

>  <COMPOUND_NAME> (2,518)
WAY-312679

>  <BAR_CODE_NO> (2,518)
3917342

$$$$
CL-409755
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -2.0861    0.7313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3079   -0.6000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.6237    0.7407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3079    2.0673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2156   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1002   -1.9267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4113   -0.5813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3878    2.0673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0861    3.3987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2344    2.0673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9938   -1.9455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9938    0.7219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6378   -1.9267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3314   -3.2628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6237    3.3846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5361   -1.9455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5361    0.7219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4160   -3.2628    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5672   -4.6035    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9598    4.1769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2253    4.8848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3143   -0.6141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5534   -3.0846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8051   -0.9423    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9598   -2.4799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  6 13  2  0  0  0  0
  6 14  1  0  0  0  0
  8 15  1  0  0  0  0
 11 16  1  0  0  0  0
 12 17  2  0  0  0  0
 13 18  1  0  0  0  0
 14 19  3  0  0  0  0
 15 20  1  0  0  0  0
 15 21  1  0  0  0  0
 16 22  2  0  0  0  0
 16 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
  7 13  1  0  0  0  0
  9 15  1  0  0  0  0
 17 22  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (2,519)
2519

>  <Formula> (2,519)
C19H18N2O4

>  <MolWeight> (2,519)
338.35722

>  <COMPOUND_NAME> (2,519)
CL-409755

>  <BAR_CODE_NO> (2,519)
3918124

$$$$
WAY-312666
csChFnd80/06171916322D

 28 30  0  0  0  0  0  0  0  0999 V2000
   -1.7828   -0.1552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5448   -0.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2448   -0.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3828    0.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0828    0.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7828   -1.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5207   -0.3931    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.3621   -1.5379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6000    0.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7207    1.2552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8621    0.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5621   -1.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000   -0.7552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1000   -0.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4000    0.6552    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.8793   -0.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8828   -0.9069    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.5793   -0.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2552   -0.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2000    0.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9552   -0.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8793    0.9828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6379   -0.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5793    0.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2552    1.0724    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.9172    1.5241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7000    0.4103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    1.7621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
 11 14  2  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 25 28  2  0  0  0  0
  7  9  1  0  0  0  0
 12 14  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (2,520)
2520

>  <Formula> (2,520)
C18H17Cl2N3O4S

>  <MolWeight> (2,520)
442.31628

>  <COMPOUND_NAME> (2,520)
WAY-312666

>  <BAR_CODE_NO> (2,520)
3917327

$$$$
WAY-312685
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -1.8380   -0.4898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1139   -0.9139    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8380    0.3482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5622   -0.9139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3863   -0.4898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1139   -1.7380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1139    0.7654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5622    0.7654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2898   -0.4898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3863    0.3482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4447   -0.9898    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3898   -2.1656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1139    1.5965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2898    0.3482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3620    0.7758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3240   -1.7518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0758    0.3620    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3620    1.6102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2620   -2.2518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7965    0.7654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9758   -1.8139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8102    1.6137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5137    0.3344    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5447    2.0275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2516    0.7620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2758    1.5861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  2  0  0  0  0
 10 15  1  0  0  0  0
 12 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  2  0  0  0  0
  7 10  2  0  0  0  0
  9 14  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (2,521)
2521

>  <Formula> (2,521)
C20H21N3O3

>  <MolWeight> (2,521)
351.39904

>  <COMPOUND_NAME> (2,521)
WAY-312685

>  <BAR_CODE_NO> (2,521)
3917349

$$$$
CL-420294
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -1.5138   -0.3447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -0.7551    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5138    0.4829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2345   -0.7654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0862   -0.3447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -1.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8103    0.8932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2345    0.8932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9483   -0.3516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0897    0.4863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6276   -0.7516    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5103   -1.9930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8103    1.7208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9483    0.4725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6172    0.9070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5103   -2.8171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3724    0.5553    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6138    1.7311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2241   -3.2309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0897    0.9691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2241   -4.0551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    0.5553    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0862    1.7932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5138    0.9691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7966    2.2070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5138    1.7967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2276    0.5553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
 10 15  1  0  0  0  0
 12 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  2  0  0  0  0
 24 27  1  0  0  0  0
  7 10  2  0  0  0  0
  9 14  2  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (2,522)
2522

>  <Formula> (2,522)
C21H23N3O3

>  <MolWeight> (2,522)
365.42562

>  <COMPOUND_NAME> (2,522)
CL-420294

>  <BAR_CODE_NO> (2,522)
3916868

$$$$
WAY-312946
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -0.0432    0.4895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0432   -0.4938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8890    0.9687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8890   -0.9730    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8110    0.9687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7057    0.4895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7057   -0.4938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6568    0.4895    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4943    0.9687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8110   -0.9730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3110    0.4895    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8360    1.9270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8890    1.9270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4943    1.9270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8890   -1.9313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5432    0.9687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1568    0.9687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5432   -0.9730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3360    2.4062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1735    1.9270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3360    3.3687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7057   -2.4105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5432   -3.8480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3890    0.4895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7057   -3.3730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3890   -0.4938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5432   -4.8105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  6  2  0  0  0  0
  8  5  1  0  0  0  0
  9  8  1  0  0  0  0
 10  2  2  0  0  0  0
 11  9  2  0  0  0  0
 12  5  2  0  0  0  0
 13  3  1  0  0  0  0
 14  9  1  0  0  0  0
 15  4  1  0  0  0  0
 16  6  1  0  0  0  0
 17 11  1  0  0  0  0
 18  7  1  0  0  0  0
 19 14  2  0  0  0  0
 20 19  1  0  0  0  0
 21 19  1  0  0  0  0
 22 15  1  0  0  0  0
 23 25  1  0  0  0  0
 24 16  2  0  0  0  0
 25 22  1  0  0  0  0
 26 24  1  0  0  0  0
 27 23  1  0  0  0  0
  4  7  1  0  0  0  0
 26 18  2  0  0  0  0
 20 17  2  0  0  0  0
M  END
>  <Mol_ID> (2,523)
2523

>  <Formula> (2,523)
C21H23N3O3

>  <MolWeight> (2,523)
365.42562

>  <COMPOUND_NAME> (2,523)
WAY-312946

>  <BAR_CODE_NO> (2,523)
3917700

$$$$
WAY-313176
csChFnd80/06171916322D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -0.4172   -0.3000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.5552   -0.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4172    0.8172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3793   -0.8483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5552   -1.9621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5483   -0.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3828    1.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5483    1.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3793   -1.9621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4172   -2.5241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5483   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5552    0.8379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5034   -0.8448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3828    2.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3448    0.8241    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.5483    2.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3448   -2.5345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5172    1.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4172    3.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  2  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8 16  2  0  0  0  0
  9 17  2  0  0  0  0
 12 18  1  0  0  0  0
 14 19  2  0  0  0  0
  9 10  1  0  0  0  0
 16 19  1  0  0  0  0
M  END
>  <Mol_ID> (2,524)
2524

>  <Formula> (2,524)
C13H13FN2O3

>  <MolWeight> (2,524)
264.2523232

>  <COMPOUND_NAME> (2,524)
WAY-313176

>  <BAR_CODE_NO> (2,524)
3917987

$$$$
CL-393412
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    7.8409    8.2997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5519    8.7121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8409    7.4748    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.1240    8.7206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5519    9.5371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3428    8.4561    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8409    6.6498    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6658    7.4748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0159    7.4748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1240    9.5285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8409    9.9495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3428    9.7930    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8121    9.1246    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.5519    6.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1240    6.2288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8409   10.7744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5519    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2773    6.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4128    6.6413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2773    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9857    6.2459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7046    6.2203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9857    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.8015    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  3  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
 11 16  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 22 24  3  0  0  0  0
 10 11  2  0  0  0  0
 12 13  1  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (2,525)
2525

>  <Formula> (2,525)
C16H20N4O2S2

>  <MolWeight> (2,525)
364.4856

>  <COMPOUND_NAME> (2,525)
CL-393412

>  <BAR_CODE_NO> (2,525)
3917612

$$$$
WAY-312444
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.6897    0.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4483   -0.0862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0724   -0.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6897    1.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2103    0.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4483   -0.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8517    0.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0724    1.6759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4483    1.6759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9655   -0.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2103   -1.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6103   -0.0862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8517    1.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9655   -0.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3724    0.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6103   -0.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1345   -0.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3724   -1.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1345   -0.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
 10 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
  8 13  2  0  0  0  0
 11 14  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (2,526)
2526

>  <Formula> (2,526)
C16H25N3

>  <MolWeight> (2,526)
259.3898

>  <COMPOUND_NAME> (2,526)
WAY-312444

>  <BAR_CODE_NO> (2,526)
3917081

$$$$
WAY-383270
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
    5.5542   -2.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3292   -3.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0250   -2.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5792   -4.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2667   -3.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0500   -4.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8792   -3.6125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.3167   -5.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3042   -0.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1417   -6.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2417   -1.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7000   -5.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1042   -3.6042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7667   -6.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5250    0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8375   -0.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8042    1.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7500   -3.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5917    0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2667    1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5625    3.0708    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3042   -6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3542   -7.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5625   -4.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6000   -7.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917   -5.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667   -6.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1792   -4.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2042   -7.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  2  1  0  0  0  0
  8 12  1  0  0  0  0
  9  1  1  0  0  0  0
 10  8  1  0  0  0  0
 11  3  2  0  0  0  0
 12  7  1  0  0  0  0
 13  8  2  0  0  0  0
 14 10  1  0  0  0  0
 15  9  1  0  0  0  0
 16  9  2  0  0  0  0
 17 19  2  0  0  0  0
 18  5  2  0  0  0  0
 19 16  1  0  0  0  0
 20 15  2  0  0  0  0
 21 17  1  0  0  0  0
 22  6  2  0  0  0  0
 23 10  1  0  0  0  0
 24 14  1  0  0  0  0
 25 14  1  0  0  0  0
 26 18  1  0  0  0  0
 27 26  2  0  0  0  0
 28 24  1  0  0  0  0
 29 25  1  0  0  0  0
 30 29  1  0  0  0  0
 17 20  1  0  0  0  0
  6  4  1  0  0  0  0
 22 27  1  0  0  0  0
 30 28  1  0  0  0  0
M  END
>  <Mol_ID> (2,527)
2527

>  <Formula> (2,527)
C23H24FN3O2S

>  <MolWeight> (2,527)
425.5189632

>  <COMPOUND_NAME> (2,527)
WAY-383270

>  <BAR_CODE_NO> (2,527)
2540362

$$$$
WAY-383642
csChFnd80/06171916322D

 32 36  0  0  0  0  0  0  0  0999 V2000
   -1.2620   -0.0795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3758   -0.3554    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2620    0.8446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0620   -0.5312    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1380    0.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0620   -1.2036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3758    1.1205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0620    1.2998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8413   -0.0795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0725    0.3998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6240   -1.9036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8518   -1.3519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0965    2.0067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8413    0.8446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6413   -0.5312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5277    1.1826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2965   -2.7692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1725   -2.2002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2035    2.8826    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6413    1.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4482   -0.0795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4380    1.1826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0725    1.9826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6242   -2.9036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4482    0.8446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9242    1.9619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0725    0.4826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9518   -3.8002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8242    1.7619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8898    0.8619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8518   -3.9519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7242    0.3826    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  2  0  0  0  0
 10 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  2  0  0  0  0
 13 19  3  0  0  0  0
 14 20  2  0  0  0  0
 15 21  1  0  0  0  0
 16 22  1  0  0  0  0
 16 23  2  0  0  0  0
 17 24  2  0  0  0  0
 20 25  1  0  0  0  0
 22 26  2  0  0  0  0
 22 27  1  0  0  0  0
 24 28  1  0  0  0  0
 26 29  1  0  0  0  0
 27 30  1  0  0  0  0
 28 31  1  0  0  0  0
 30 32  1  0  0  0  0
  5  7  2  0  0  0  0
  9 14  1  0  0  0  0
 18 24  1  0  0  0  0
 21 25  2  0  0  0  0
 29 30  2  0  0  0  0
M  END
>  <Mol_ID> (2,528)
2528

>  <Formula> (2,528)
C23H14BrN5O3

>  <MolWeight> (2,528)
488.29296

>  <COMPOUND_NAME> (2,528)
WAY-383642

>  <BAR_CODE_NO> (2,528)
2540388

$$$$
WAY-383704
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
    3.7917  -12.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0792  -13.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3667  -11.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7917  -11.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3667  -12.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0792  -11.5792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5042  -13.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2250  -12.8167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542  -11.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9375  -11.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542  -13.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167  -11.5792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9375  -13.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958  -11.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0792  -14.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5042  -14.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9375  -12.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208  -11.5875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9375  -14.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2167  -14.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5167  -11.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542  -10.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4875  -12.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6500  -12.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6500  -14.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5167  -10.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000  -13.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3667  -13.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3667  -14.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  6  1  0  0  0  0
  4  1  2  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  2  0  0  0  0
  9  3  2  0  0  0  0
 10  9  1  0  0  0  0
 11  5  2  0  0  0  0
 12 10  1  0  0  0  0
 13  8  1  0  0  0  0
 14 12  1  0  0  0  0
 15  2  2  0  0  0  0
 16  7  1  0  0  0  0
 17 11  1  0  0  0  0
 18 14  2  0  0  0  0
 19 20  1  0  0  0  0
 20 16  2  0  0  0  0
 21  4  1  0  0  0  0
 22  9  1  0  0  0  0
 23 14  1  0  0  0  0
 24 13  1  0  0  0  0
 25 19  1  0  0  0  0
 26 21  1  0  0  0  0
 27 23  1  0  0  0  0
 28 24  2  0  0  0  0
 29 25  2  0  0  0  0
  3  5  1  0  0  0  0
 19 13  2  0  0  0  0
 10 17  2  0  0  0  0
 29 28  1  0  0  0  0
M  END
>  <Mol_ID> (2,529)
2529

>  <Formula> (2,529)
C24H21NO4

>  <MolWeight> (2,529)
387.42784

>  <COMPOUND_NAME> (2,529)
WAY-383704

>  <BAR_CODE_NO> (2,529)
2540390

$$$$
WAY-384204
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
    6.8042   -4.8417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0917   -3.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8125   -4.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3750   -4.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0917   -2.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3750   -2.3542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8042   -5.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9792   -4.8417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6292   -4.8417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6625   -3.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6625   -2.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8125   -2.3542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0917   -6.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5167   -6.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0917   -1.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0917   -0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8042   -7.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5167   -6.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0917   -6.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8042   -8.1417    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.8042   -1.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9500   -2.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9500   -4.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2292   -3.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2292   -2.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  2  1  0  0  0  0
  6  5  2  0  0  0  0
  7  1  1  0  0  0  0
  8  1  2  0  0  0  0
  9  1  2  0  0  0  0
 10  4  1  0  0  0  0
 11  6  1  0  0  0  0
 12  5  1  0  0  0  0
 13  7  2  0  0  0  0
 14  7  1  0  0  0  0
 15 21  1  0  0  0  0
 16 15  2  0  0  0  0
 17 18  1  0  0  0  0
 18 14  2  0  0  0  0
 19 13  1  0  0  0  0
 20 17  1  0  0  0  0
 21 12  1  0  0  0  0
 22 11  2  0  0  0  0
 23 10  2  0  0  0  0
 24 23  1  0  0  0  0
 25 22  1  0  0  0  0
 19 17  2  0  0  0  0
 11 10  1  0  0  0  0
 25 24  2  0  0  0  0
M  END
>  <Mol_ID> (2,530)
2530

>  <Formula> (2,530)
C17H15ClN4O2S

>  <MolWeight> (2,530)
374.8446

>  <COMPOUND_NAME> (2,530)
WAY-384204

>  <BAR_CODE_NO> (2,530)
2540433

$$$$
WAY-391885
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    6.2500   -4.0667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8292   -4.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2375   -5.7167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2667   -5.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2792   -4.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8292   -4.9042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.5667   -3.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3250   -5.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8125   -6.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3167   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8250   -4.9292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3167   -7.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7792   -6.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7792   -8.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2875   -7.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8042   -8.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3542   -9.3417    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.5542   -3.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5542   -2.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9042   -2.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8625   -1.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2125   -1.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1917   -1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8 10  1  0  0  0  0
  9  8  1  0  0  0  0
 10  6  1  0  0  0  0
 11  8  2  0  0  0  0
 12  9  1  0  0  0  0
 13  9  2  0  0  0  0
 14 15  2  0  0  0  0
 15 13  1  0  0  0  0
 16 12  2  0  0  0  0
 17 14  1  0  0  0  0
 18  5  1  0  0  0  0
 19  7  2  0  0  0  0
 20  7  1  0  0  0  0
 21 19  1  0  0  0  0
 22 20  2  0  0  0  0
 23 22  1  0  0  0  0
  3  4  1  0  0  0  0
 21 23  2  0  0  0  0
 16 14  1  0  0  0  0
M  END
>  <Mol_ID> (2,531)
2531

>  <Formula> (2,531)
C17H14BrN3OS

>  <MolWeight> (2,531)
388.28156

>  <COMPOUND_NAME> (2,531)
WAY-391885

>  <BAR_CODE_NO> (2,531)
2540359

$$$$
WL-11053
csChFnd80/06171916322D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.4554    0.2761    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7140    0.2657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1757   -0.8032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1757    1.3864    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3450   -0.8032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3347    1.3761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4446   -0.7929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4657   -1.9239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4343    1.3864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6036   -0.8032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5933    1.3864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0757    0.2968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0964   -1.8929    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.2450    0.2761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3343    0.2968    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0653    0.8657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9550   -0.7929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  2  0  0  0  0
  7 13  1  0  0  0  0
 10 14  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
  9 12  1  0  0  0  0
 11 14  2  0  0  0  0
M  END
>  <Mol_ID> (2,532)
2532

>  <Formula> (2,532)
C12H12ClN3O

>  <MolWeight> (2,532)
249.69618

>  <COMPOUND_NAME> (2,532)
WL-11053

>  <BAR_CODE_NO> (2,532)
3899471

$$$$
WL-16434
csChFnd80/06171916322D

 10 11  0  0  0  0  0  0  0  0999 V2000
    0.3614   -0.4935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3614    0.3445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1476   -0.7383    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3524   -0.9176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3524    0.7617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1614    0.5997    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6476   -0.0935    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0766   -0.4935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0835    0.3238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8145    0.7066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  9 10  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <Mol_ID> (2,533)
2533

>  <Formula> (2,533)
C6H4N2OS

>  <MolWeight> (2,533)
152.17376

>  <COMPOUND_NAME> (2,533)
WL-16434

>  <BAR_CODE_NO> (2,533)
3899402

$$$$
WL-166188
csChFnd80/06171916322D

 18 19  0  0  0  0  0  0  0  0999 V2000
    7.2960    6.6556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5847    6.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0074    6.2348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3036    7.4922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5847    5.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8734    6.6707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0074    5.4283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7413    6.6330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5997    7.9130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0149    7.8980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2960    5.0075    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8583    5.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1650    7.0897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7413    5.0301    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.4703    7.0286    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5997    8.7395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0149    8.7270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3036    9.1328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  3  0  0  0  0
  7 14  2  0  0  0  0
  8 15  3  0  0  0  0
  9 16  2  0  0  0  0
 10 17  1  0  0  0  0
 16 18  1  0  0  0  0
  7 11  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (2,534)
2534

>  <Formula> (2,534)
C13H8N4S

>  <MolWeight> (2,534)
252.29442

>  <COMPOUND_NAME> (2,534)
WL-166188

>  <BAR_CODE_NO> (2,534)
3900997

$$$$
WL-169488
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -2.6002    0.2725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8140    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5209    0.9863    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2416   -0.9620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8140    2.0139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9381    0.0760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4933    0.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9347   -1.0240    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9381    2.6622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0657    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7550    0.4967    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0657    2.0139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8757   -0.1482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0136    0.5070    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8757   -1.4240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9998   -0.3309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7619   -1.6102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2205    0.0967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7446   -2.4516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2101   -0.7482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9688   -2.0240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  9 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
  7  8  1  0  0  0  0
 10 12  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (2,535)
2535

>  <Formula> (2,535)
C16H13N3OS

>  <MolWeight> (2,535)
295.35892

>  <COMPOUND_NAME> (2,535)
WL-169488

>  <BAR_CODE_NO> (2,535)
3900067

$$$$
WL-191888
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -0.9755   -0.8140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4341   -0.6347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9755   -1.3864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4651   -0.5243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0927   -1.0968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2548   -0.0968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4341   -1.5554    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4651   -1.6657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9651   -0.8140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2970    0.0239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9651   -1.3864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4763    0.5653    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0349    0.6860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2073    1.2239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4176    0.2653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7556    1.4032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8763    1.6860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7556    1.9757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2073    2.1446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  6 10  1  0  0  0  0
  8 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
  5  7  1  0  0  0  0
  9 11  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (2,536)
2536

>  <Formula> (2,536)
C15H14N2O2

>  <MolWeight> (2,536)
254.28386

>  <COMPOUND_NAME> (2,536)
WL-191888

>  <BAR_CODE_NO> (2,536)
3900270

$$$$
WL-328811
csChFnd80/06171916322D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -1.6546   -0.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6546   -1.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8339    0.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5546    0.0310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8339   -1.6828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5546   -1.5034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0109   -0.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8339    1.1793    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.0891   -0.7207    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0109   -1.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8351    0.2310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6454   -0.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4661    0.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4661    1.1793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2834   -0.2483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6454    1.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6454    2.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
M  END
>  <Mol_ID> (2,537)
2537

>  <Formula> (2,537)
C10H9ClN2O3S

>  <MolWeight> (2,537)
272.70806

>  <COMPOUND_NAME> (2,537)
WL-328811

>  <BAR_CODE_NO> (2,537)
3899498

$$$$
CL-393208
csChFnd80/06171916322D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -0.8750   -1.2072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1026   -0.5038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8750   -2.6383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4974   -0.7969    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1026    0.8997    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3337   -1.2348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1026   -3.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4974   -3.0486    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2870   -1.8797    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6716    0.8997    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5061    0.8997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1026    2.3307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3337   -2.6107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0319    2.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4629    2.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8663    2.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4629    3.5617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4629    0.7238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5698    0.8997    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0008    0.8997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8663   -0.3279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  5 12  2  0  0  0  0
  6 13  1  0  0  0  0
 10 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
  7 13  2  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <Mol_ID> (2,538)
2538

>  <Formula> (2,538)
C13H20N4O2S2

>  <MolWeight> (2,538)
328.4535

>  <COMPOUND_NAME> (2,538)
CL-393208

>  <BAR_CODE_NO> (2,538)
3901562

$$$$
CL-393503
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -1.5138    0.0858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5138    1.4858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3862   -0.7556    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7241   -0.6245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4448    2.3858    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7241    2.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9759   -0.3763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9241    0.0858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8759    2.1341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9241    1.4858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9241   -1.3866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5241    0.8755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6448    3.2858    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1138    2.1755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3069   -1.0935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5241   -2.7245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2241   -2.0763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4448   -3.7245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8241   -3.4349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  9 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  2  0  0  0  0
 11 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
  8 10  1  0  0  0  0
  9 12  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (2,539)
2539

>  <Formula> (2,539)
C16H14N2O

>  <MolWeight> (2,539)
250.29516

>  <COMPOUND_NAME> (2,539)
CL-393503

>  <BAR_CODE_NO> (2,539)
3902559

$$$$
CL-400995
csChFnd80/06171916322D

 20 21  0  0  0  0  0  0  0  0999 V2000
    2.7368    0.0471    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1964    0.0471    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5046    1.3802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5046   -1.2812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3486    0.0471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1964   -1.4932    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1964    1.5874    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0449    1.3802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0449   -1.2812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1164    1.3802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1164   -1.2812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8174    0.0471    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8221    2.7273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8221   -2.6237    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6567    1.3802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6567   -1.2812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4292    0.0471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9695    0.0471    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -5.7373   -1.2907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7373    1.3754    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  8 12  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  2  0  0  0  0
 10 15  2  0  0  0  0
 11 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
  9 12  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (2,540)
2540

>  <Formula> (2,540)
C10H9N3O6S

>  <MolWeight> (2,540)
299.25996

>  <COMPOUND_NAME> (2,540)
CL-400995

>  <BAR_CODE_NO> (2,540)
3902222

$$$$
CL-401349
csChFnd80/06171916322D

 32 36  0  0  0  0  0  0  0  0999 V2000
    0.8513    1.2738    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.5779    0.8016    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.8513    2.8334    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.3239    0.8016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4664    2.0753    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2986   -0.5468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5779    3.3056    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3239    3.3056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2124    2.0753    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8147   -0.7083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0074    2.0815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4847   -1.8827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8458   -0.6462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8520    4.7907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7534    2.0815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7654    3.4299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7841    0.7518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1806   -3.2435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5666   -2.0008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5239    0.7581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5052    3.4299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3002    3.4423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3312    0.7705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7215   -3.2870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0648    0.7705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7596   -0.5841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0462    3.4423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0893    2.1188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4112   -4.6850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8291    2.1064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5363   -1.9138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6303    2.1313    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  2  0  0  0  0
  8 14  2  0  0  0  0
  9 15  1  0  0  0  0
 11 16  2  0  0  0  0
 11 17  1  0  0  0  0
 12 18  2  0  0  0  0
 13 19  1  0  0  0  0
 15 20  1  0  0  0  0
 15 21  2  0  0  0  0
 16 22  1  0  0  0  0
 17 23  2  0  0  0  0
 18 24  1  0  0  0  0
 20 25  2  0  0  0  0
 20 26  1  0  0  0  0
 21 27  1  0  0  0  0
 22 28  2  0  0  0  0
 24 29  1  0  0  0  0
 25 30  1  0  0  0  0
 26 31  1  0  0  0  0
 28 32  1  0  0  0  0
  5  7  1  0  0  0  0
  8  9  1  0  0  0  0
 19 24  2  0  0  0  0
 23 28  1  0  0  0  0
 27 30  2  0  0  0  0
M  END
>  <Mol_ID> (2,541)
2541

>  <Formula> (2,541)
C24H19ClN2O5

>  <MolWeight> (2,541)
450.87106

>  <COMPOUND_NAME> (2,541)
CL-401349

>  <BAR_CODE_NO> (2,541)
3901567

$$$$
CL-404063
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -0.0742    0.5154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0742   -1.0159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4126    1.2791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2754    1.3088    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4126   -1.7908    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2754   -1.7574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7325    0.5154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4126    2.8178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6324    0.5154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7325   -1.0159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6954   -2.6435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1149   -2.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6324   -1.0159    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2754   -3.2998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0747    1.2791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7325    3.5816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9635    1.2569    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0747   -1.9576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0747    2.8178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  2  0  0  0  0
  7 15  1  0  0  0  0
  8 16  2  0  0  0  0
  9 17  2  0  0  0  0
 11 18  1  0  0  0  0
 15 19  2  0  0  0  0
  7 10  1  0  0  0  0
  9 13  1  0  0  0  0
 16 19  1  0  0  0  0
M  END
>  <Mol_ID> (2,542)
2542

>  <Formula> (2,542)
C15H16N2OS

>  <MolWeight> (2,542)
272.36534

>  <COMPOUND_NAME> (2,542)
CL-404063

>  <BAR_CODE_NO> (2,542)
3902357

$$$$
CL-404833
csChFnd80/06171916322D

 22 25  0  0  0  0  0  0  0  0999 V2000
   -0.4238   -0.6001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1658   -0.2622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9859   -0.2484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1658   -0.9346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9721   -0.9346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1658    0.4171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7762   -0.6277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9859    0.4240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1658   -1.6001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9721   -1.6001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4031    0.7482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7658    0.7723    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3865   -0.2760    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7865   -1.3277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5652    0.7516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3963   -1.9346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4031    1.4171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3762    0.4240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5652    1.4378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9859    1.7654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520    0.7516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520    1.4378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  2  0  0  0  0
  8 15  1  0  0  0  0
  9 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  2  0  0  0  0
 15 19  2  0  0  0  0
 17 20  2  0  0  0  0
 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
  8 11  2  0  0  0  0
 10 16  1  0  0  0  0
 13 18  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (2,543)
2543

>  <Formula> (2,543)
C19H22N2O

>  <MolWeight> (2,543)
294.39078

>  <COMPOUND_NAME> (2,543)
CL-404833

>  <BAR_CODE_NO> (2,543)
3902809

$$$$
CL-405079
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -2.1139   -1.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7001   -2.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5518   -1.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9380   -1.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8898   -2.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1139   -3.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8139   -1.4448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7070   -0.2931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3518   -2.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2760   -2.8172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9380   -3.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1001   -1.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1139   -0.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5999    0.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5861    1.0552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3206   -0.1793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2999    1.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2999    2.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0206    1.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0102    2.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7344    1.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7344    2.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0068    3.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7102    3.9483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2861    3.9448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
  5  7  1  0  0  0  0
  9 11  2  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (2,544)
2544

>  <Formula> (2,544)
C19H16N2O4

>  <MolWeight> (2,544)
336.34134

>  <COMPOUND_NAME> (2,544)
CL-405079

>  <BAR_CODE_NO> (2,544)
3901462

$$$$
CL-405389
csChFnd80/06171916322D

 22 23  0  0  0  0  0  0  0  0999 V2000
   -1.2210   -0.9585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5003    0.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9072   -1.6654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2037   -1.2033    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4624    0.2760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8244    0.7312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8624   -1.3895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4687   -0.4619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1382   -0.4619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7382    1.2277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1141    1.4484    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5693   -2.0723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4618   -0.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1313   -0.2137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1066    0.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7376   -1.6412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0652   -0.1585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8273    1.0174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7445    0.5519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5101    1.7588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4652    1.5070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2859    2.2932    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  3  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
  7  9  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (2,545)
2545

>  <Formula> (2,545)
C17H15ClN2OS

>  <MolWeight> (2,545)
330.8318

>  <COMPOUND_NAME> (2,545)
CL-405389

>  <BAR_CODE_NO> (2,545)
3903680

$$$$
CL-414715
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.7960    0.4386    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.7960    1.9714    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.2621   -0.0585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2757    0.0501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4427    2.4309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2621    2.4518    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1768    1.1904    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6589   -1.5538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5931    1.3324    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1169   -1.4702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4427    3.9847    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5353   -2.6523    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1500   -1.9673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1594    1.3324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9321   -4.1684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9196    2.6982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9405   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4733    2.6982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1594    4.0473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4942    0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2627    1.3700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2627    4.0473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  8 12  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 18 22  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (2,546)
2546

>  <Formula> (2,546)
C15H15N3O4

>  <MolWeight> (2,546)
301.2973

>  <COMPOUND_NAME> (2,546)
CL-414715

>  <BAR_CODE_NO> (2,546)
3901449

$$$$
CL-418202
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -1.9181   -0.6123    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3484   -1.3967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4541    0.8945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6362   -1.4876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7164   -0.6745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3484   -2.8987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0670    0.8945    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.6123   -0.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6362   -3.0231    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0270   -1.4541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6638   -3.7215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9328    2.1669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0270   -2.9705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5065    2.1669    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2822    3.5397    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2862    0.8562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5256   -0.5023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8360    0.8371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2862   -1.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5870   -0.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8312   -1.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6061   -3.1953    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
 10 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
  7  8  1  0  0  0  0
 11 13  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (2,547)
2547

>  <Formula> (2,547)
C17H21ClN2O2

>  <MolWeight> (2,547)
320.81384

>  <COMPOUND_NAME> (2,547)
CL-418202

>  <BAR_CODE_NO> (2,547)
3903548

$$$$
CL-425664
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -1.9948   -1.9325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9948   -0.3788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3231   -2.6853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6378   -2.7093    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6378    0.3980    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.3231    0.3980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6705   -1.9085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3231   -4.2389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6857   -1.9325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6378    1.9325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6857   -0.3788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6705   -0.3788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9988   -2.6853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6705   -4.9966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0140   -2.6853    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6857    2.6853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9708    2.6853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9988   -4.2389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6857    4.2197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0140    1.9085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9708    4.2197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6378    4.9966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3374    2.6853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6705    1.9085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9988    2.6661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  2  0  0  0  0
 10 16  1  0  0  0  0
 10 17  2  0  0  0  0
 13 18  1  0  0  0  0
 16 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
  7 12  1  0  0  0  0
  9 11  1  0  0  0  0
 14 18  2  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (2,548)
2548

>  <Formula> (2,548)
C22H21NO2

>  <MolWeight> (2,548)
331.40764

>  <COMPOUND_NAME> (2,548)
CL-425664

>  <BAR_CODE_NO> (2,548)
3904060

$$$$
CL-426250
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -2.3643   -0.0572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3643   -1.1883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4161    0.4876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3368    0.4876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4161   -1.7400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3368   -1.7400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4437   -0.0814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2919   -0.0814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4437   -1.1607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2919   -1.1607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5288    0.4600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5288   -1.7193    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4908   -0.1021    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5839    1.6048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4632    0.4393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4253   -0.1021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4632    1.5462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3977    0.4393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4253    2.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3977    1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  9 12  2  0  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (2,549)
2549

>  <Formula> (2,549)
C16H17NO3

>  <MolWeight> (2,549)
271.31108

>  <COMPOUND_NAME> (2,549)
CL-426250

>  <BAR_CODE_NO> (2,549)
3902315

$$$$
CL-68052
csChFnd80/06171916322D

 20 21  0  0  0  0  0  0  0  0999 V2000
    2.0724    0.0933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2759   -0.4998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9897   -0.2929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9552    1.0830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3586   -0.1067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3931   -1.4895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7897    0.2933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1069   -1.2860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7586    1.6795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4414   -0.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6724    1.2864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3517   -0.3067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3241   -1.6929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4690    0.6761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1517   -0.9067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3862    1.0726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0655   -0.5101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1828    0.4726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1000    0.8657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9000    0.2692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  7 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
  9 11  2  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (2,550)
2550

>  <Formula> (2,550)
C16H14O4

>  <MolWeight> (2,550)
270.27996

>  <COMPOUND_NAME> (2,550)
CL-68052

>  <BAR_CODE_NO> (2,550)
3903823

$$$$
CL-832268
csChFnd80/06171916322D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.3167    0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333   -0.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333    0.7708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958    0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7292   -0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.7708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042   -0.6542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1000   -0.5542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4292   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1125    0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1125    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  6  2  0  0  0  0
  8  3  1  0  0  0  0
  9  2  2  0  0  0  0
 10  8  2  0  0  0  0
 11  8  1  0  0  0  0
 12  6  1  0  0  0  0
 13  7  1  0  0  0  0
 14 11  1  0  0  0  0
 15 12  2  0  0  0  0
 16 15  1  0  0  0  0
  5  7  1  0  0  0  0
 16 13  2  0  0  0  0
M  END
>  <Mol_ID> (2,551)
2551

>  <Formula> (2,551)
C11H9NO4

>  <MolWeight> (2,551)
219.19346

>  <COMPOUND_NAME> (2,551)
CL-832268

>  <BAR_CODE_NO> (2,551)
3902669

$$$$
CL-84328
csChFnd80/06171916322D

 14 15  0  0  0  0  0  0  0  0999 V2000
    1.7241   -0.4031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3655    0.4244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7241   -2.0652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2034    0.4244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0345   -0.3549    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3862    2.1037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1448   -2.9342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6241   -0.4756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4655    0.4762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5759   -2.1135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7759    2.1141    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9448   -0.2963    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4138    2.2658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1138    0.8348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  7 10  2  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
  8 10  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (2,552)
2552

>  <Formula> (2,552)
C10H10N2OS

>  <MolWeight> (2,552)
206.2642

>  <COMPOUND_NAME> (2,552)
CL-84328

>  <BAR_CODE_NO> (2,552)
3901391

$$$$
GI-508223
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -2.5216   -0.6020    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0663   -0.5963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6072    0.6247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6129   -1.8457    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8387   -1.9309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8330    0.7326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1477    0.1533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0786    2.1013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1590   -1.3744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3834   -1.9309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3777    0.7326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0961    1.0620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0904   -2.2830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1558   -0.5963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4988    0.4316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7596    1.3289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6635   -1.0961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1624    0.7099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0720   -1.7151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3157   -0.8235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7355   -1.4539    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
  7  9  1  0  0  0  0
 11 14  2  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (2,553)
2553

>  <Formula> (2,553)
C17H13ClN2O

>  <MolWeight> (2,553)
296.75092

>  <COMPOUND_NAME> (2,553)
GI-508223

>  <BAR_CODE_NO> (2,553)
3901607

$$$$
GI-558744
csChFnd80/06171916322D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -1.5761   -0.0168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8554   -1.2341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0174   -0.0168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8450    1.2556    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6550   -1.2341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5450   -2.5065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7450   -1.2651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7554    1.2142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5450    2.5038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3826   -0.0651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0347   -2.5237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0347    2.4832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8239   -0.0755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6653    1.2245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5757    1.1832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7550   -1.1444    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9826    0.8142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1136   -0.5962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  2  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
  7 11  2  0  0  0  0
  9 12  2  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (2,554)
2554

>  <Formula> (2,554)
C14H9NO3

>  <MolWeight> (2,554)
239.22616

>  <COMPOUND_NAME> (2,554)
GI-558744

>  <BAR_CODE_NO> (2,554)
3902692

$$$$
GI-559779
csChFnd80/06171916322D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -1.7316    1.8615    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.0461    1.0862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4014    1.1177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0425    3.3767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2071    2.1409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2153   -0.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4014   -0.4290    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9367    1.8930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5577    3.5420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6164   -1.0547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9563   -1.2240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7620   -2.6014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2708   -0.4487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9563   -2.7391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6010   -1.2240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2708    1.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2708   -3.5105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4014   -3.5420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6010   -2.7391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9588   -3.5105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 19  2  0  0  0  0
 19 20  1  0  0  0  0
  5  9  1  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (2,555)
2555

>  <Formula> (2,555)
C16H24N2O2

>  <MolWeight> (2,555)
276.37396

>  <COMPOUND_NAME> (2,555)
GI-559779

>  <BAR_CODE_NO> (2,555)
3901848

$$$$
GI-566033
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.4135   -1.3450    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.8441   -2.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5181    0.6321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0123   -2.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8441   -3.8355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3270   -1.7538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9458    1.4924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9487    1.4924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0123   -3.8355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5142   -1.5732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4135   -4.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2889   -4.2585    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2443   -3.0561    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9448   -0.7652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9458    3.1369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1245    0.9316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9487    3.1369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0722   -4.5770    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3298   -0.9743    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5181    3.9448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5561    4.9524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  2  0  0  0  0
  6 14  1  0  0  0  0
  7 15  2  0  0  0  0
  7 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 18  1  0  0  0  0
 10 19  3  0  0  0  0
 15 20  1  0  0  0  0
 20 21  1  0  0  0  0
  9 11  1  0  0  0  0
 12 13  1  0  0  0  0
 17 20  2  0  0  0  0
M  END
>  <Mol_ID> (2,556)
2556

>  <Formula> (2,556)
C16H16N4O

>  <MolWeight> (2,556)
280.32444

>  <COMPOUND_NAME> (2,556)
GI-566033

>  <BAR_CODE_NO> (2,556)
3903790

$$$$
GI-566508
csChFnd80/06171916322D

 21 24  0  0  0  0  0  0  0  0999 V2000
    1.1175   -0.9243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0348   -1.2864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7865   -1.8347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5865    0.1239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0348   -2.4347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9652   -0.7140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1175   -2.7968    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.9348   -1.7140    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8969    1.0550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7348    0.2446    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9652   -3.0140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9756   -1.2864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4175   -0.6657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2445    0.9343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9756   -2.4347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9135    1.8653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0445    1.7446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4445    2.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7342    2.6757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1342    3.8343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2652    3.7032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
  5  7  1  0  0  0  0
 10 13  1  0  0  0  0
 12 15  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (2,557)
2557

>  <Formula> (2,557)
C17H17N3S

>  <MolWeight> (2,557)
295.40198

>  <COMPOUND_NAME> (2,557)
GI-566508

>  <BAR_CODE_NO> (2,557)
3901523

$$$$
SD-224355
csChFnd80/06171916322D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -0.3361    0.4122    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.1291   -0.0538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5907   -0.5018    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8155    1.8416    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4607   -1.5548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2672    0.9813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8542    0.3719    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.3927    1.8416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9304   -2.0253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7369    0.5153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3149   -0.1210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0685   -0.9858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4486    0.8379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6465   -1.6803    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5337   -1.4518    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 15  1  0  0  0  0
  7  8  1  0  0  0  0
 10 12  2  0  0  0  0
M  END
>  <Mol_ID> (2,558)
2558

>  <Formula> (2,558)
C10H10FNO2S

>  <MolWeight> (2,558)
227.2553032

>  <COMPOUND_NAME> (2,558)
SD-224355

>  <BAR_CODE_NO> (2,558)
3901379

$$$$
WAY-107407
csChFnd80/06171916322D

 20 23  0  0  0  0  0  0  0  0999 V2000
   -0.7897    0.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3517    0.0621    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.3759    1.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3414   -0.9552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9069    1.0517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9379   -0.9207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5138    0.9966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4897   -0.9724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0517    1.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0828   -0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0759    0.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2966    1.8414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6414    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6069    2.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6724   -1.8828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2000    0.2207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3379    1.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7828    0.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7552    2.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3448    1.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
  9 13  2  0  0  0  0
  9 14  1  0  0  0  0
 10 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 13 18  1  0  0  0  0
 14 19  2  0  0  0  0
 18 20  2  0  0  0  0
  8 11  1  0  0  0  0
 10 13  1  0  0  0  0
 16 17  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (2,559)
2559

>  <Formula> (2,559)
C15H12N2O3

>  <MolWeight> (2,559)
268.26738

>  <COMPOUND_NAME> (2,559)
WAY-107407

>  <BAR_CODE_NO> (2,559)
3902176

$$$$
WAY-112511-A
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -2.5806   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4910   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1289   -1.7801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1047   -0.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9427   -1.7801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9668   -0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5806   -2.5698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2220   -1.7801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1979   -0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4910   -2.5801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7427    0.5716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7427   -0.9939    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9427   -3.3939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1642    0.5716    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6159   -0.2180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6159    1.3475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5228   -0.2284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5228    1.3475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9780    0.5716    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8953    0.5716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3504    1.3578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2677    1.3578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8849    2.1475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7228    2.1716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3366    2.9578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2573    2.9716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  9 11  1  0  0  0  0
  9 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  2  0  0  0  0
  7 10  1  0  0  0  0
 18 19  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (2,560)
2560

>  <Formula> (2,560)
C22H29N3O

>  <MolWeight> (2,560)
351.48516

>  <COMPOUND_NAME> (2,560)
WAY-112511-A

>  <BAR_CODE_NO> (2,560)
3901596

$$$$
WAY-114506
csChFnd80/06171916322D

 18 19  0  0  0  0  0  0  0  0999 V2000
    4.8658    2.3405    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1859    2.4221    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9475    4.6339    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2547    4.6898    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5560    2.8473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5560    4.2087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7290    3.4872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    3.5516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7007    1.1166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2266    0.9921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1334    3.4872    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5516    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9069    6.0511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4500    5.9266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3177    0.8890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2345    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8946    7.0217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8241    6.1327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  7  1  0  0  0  0
  4  6  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  2  1  0  0  0  0
 10  1  1  0  0  0  0
 11  7  2  0  0  0  0
 12  8  2  0  0  0  0
 13  4  1  0  0  0  0
 14  3  1  0  0  0  0
 15  9  1  0  0  0  0
 16 10  1  0  0  0  0
 17 13  1  0  0  0  0
 18 14  1  0  0  0  0
  6  3  1  0  0  0  0
  4  8  1  0  0  0  0
M  END
>  <Mol_ID> (2,561)
2561

>  <Formula> (2,561)
C10H18N4O4

>  <MolWeight> (2,561)
258.27432

>  <COMPOUND_NAME> (2,561)
WAY-114506

>  <BAR_CODE_NO> (2,561)
3901695

$$$$
WAY-115071
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -3.0100    0.6790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5549    0.2204    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0100    2.2031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2963   -0.0589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7342    1.5307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0790   -1.1348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6342    2.6411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2963    2.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5687    0.6790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3279   -1.4727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9549   -2.3417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5687    2.2031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2831   -0.4175    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5831   -0.6589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9900   -2.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5969    0.3894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5555   -2.4796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1037    0.1204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5589   -1.3831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7072   -1.5348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  6 10  1  0  0  0  0
  6 11  2  0  0  0  0
  8 12  2  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
  5  7  1  0  0  0  0
  9 12  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (2,562)
2562

>  <Formula> (2,562)
C17H17NOS

>  <MolWeight> (2,562)
283.38798

>  <COMPOUND_NAME> (2,562)
WAY-115071

>  <BAR_CODE_NO> (2,562)
3901770

$$$$
WAY-116309
csChFnd80/06171916322D

 24 25  0  0  0  0  0  0  0  0999 V2000
   -2.3329    1.1638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6605    1.1638    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6674    0.5742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6674    1.7293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3226    0.5742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3398    0.5742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3398    1.7293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6743    0.5742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6605    0.0086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6743    1.1638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3364    0.0086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3467    1.1638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3326    0.0086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6705   -0.5776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3429   -0.5776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6567   -1.1465    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6774    0.0086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -1.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6636   -1.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6636   -0.5983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3360   -1.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3360   -0.5776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6705   -1.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3429   -1.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
  7 10  2  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (2,563)
2563

>  <Formula> (2,563)
C20H24N2O2

>  <MolWeight> (2,563)
324.41676

>  <COMPOUND_NAME> (2,563)
WAY-116309

>  <BAR_CODE_NO> (2,563)
3901591

$$$$
WAY-117443
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   12.8850    6.5575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3805    8.6555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0360    6.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7050    5.1670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2100    9.7835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3080    9.5080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8425    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0850    6.2490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5015    4.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3215    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0265    5.4620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    3.2985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6195    2.5115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2885   11.7245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8950    3.8885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3080    6.8525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2490    6.0720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6755    3.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8785   11.8820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000    4.4590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0360    0.3870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0985    1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1770    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  2  2  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  9  1  0  0  0  0
  9  4  2  0  0  0  0
 10  6  1  0  0  0  0
 11  8  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14  6  2  0  0  0  0
 15 17  1  0  0  0  0
 16 11  1  0  0  0  0
 17 16  2  0  0  0  0
 18  4  1  0  0  0  0
 19  5  1  0  0  0  0
 20  3  1  0  0  0  0
 21 13  1  0  0  0  0
 22 15  1  0  0  0  0
 23 18  1  0  0  0  0
 24 23  1  0  0  0  0
  5  7  1  0  0  0  0
  8 10  2  0  0  0  0
 13 15  2  0  0  0  0
M  END
>  <Mol_ID> (2,564)
2564

>  <Formula> (2,564)
C19H18O5

>  <MolWeight> (2,564)
326.34322

>  <COMPOUND_NAME> (2,564)
WAY-117443

>  <BAR_CODE_NO> (2,564)
3902473

$$$$
WAY-117732
csChFnd80/06171916322D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -1.5729    0.5386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6178   -0.0131    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5316   -0.0131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5729    1.6421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3305    0.5386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4867    0.5386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5316    2.1938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2857   -0.0131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3305    1.6421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4867    1.6421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4453   -0.0131    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2443    0.5386    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2857   -1.1200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4453    2.1938    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.1995   -0.0131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1995   -1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1029   -1.7648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3098   -1.7648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7547   -2.8131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6478   -2.8200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  2  0  0  0  0
  6 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  2  0  0  0  0
 10 14  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
  7 10  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (2,565)
2565

>  <Formula> (2,565)
C13H10Cl2N2O3

>  <MolWeight> (2,565)
313.1361

>  <COMPOUND_NAME> (2,565)
WAY-117732

>  <BAR_CODE_NO> (2,565)
3901385

$$$$
WAY-118992
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -1.1683   -0.4354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8372    0.4784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0372   -0.4354    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5234   -1.5147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4890    1.5508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9683    0.4784    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3110   -1.5147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6062   -2.1699    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4027    2.2232    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4096    1.9025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3200    1.5508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3869   -1.8630    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3924    1.9059    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2317   -1.1113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9973   -0.0044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3110   -1.4665    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8421    0.7473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1524   -0.7147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9214    0.3921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
  7  8  1  0  0  0  0
  9 11  2  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (2,566)
2566

>  <Formula> (2,566)
C12H11N5S2

>  <MolWeight> (2,566)
289.37924

>  <COMPOUND_NAME> (2,566)
WAY-118992

>  <BAR_CODE_NO> (2,566)
3902501

$$$$
WAY-217189
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.1707   -0.3458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8915   -0.0416    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2415   -1.1083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4585    0.3042    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.3915   -0.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0707    0.7084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9790   -1.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5082    1.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7293    0.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6793   -0.4583    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.0793    0.7709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2460    1.0084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6915    1.9917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1710    0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5293    1.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4293    0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8085    1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1582   -0.6291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3582   -1.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5415   -1.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1290   -1.9791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  9  1  0  0  0  0
  5  2  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  6  1  0  0  0  0
  9 15  2  0  0  0  0
 10  4  1  0  0  0  0
 11  4  2  0  0  0  0
 12  8  1  0  0  0  0
 13  8  2  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 12  1  0  0  0  0
 17 12  2  0  0  0  0
 18  5  1  0  0  0  0
 19  7  1  0  0  0  0
 20 18  2  0  0  0  0
 21 19  2  0  0  0  0
  7  5  2  0  0  0  0
 21 20  1  0  0  0  0
 14  9  1  0  0  0  0
M  END
>  <Mol_ID> (2,567)
2567

>  <Formula> (2,567)
C14H10N4O3

>  <MolWeight> (2,567)
282.2542

>  <COMPOUND_NAME> (2,567)
WAY-217189

>  <BAR_CODE_NO> (2,567)
3904006

$$$$
WAY-221298
csChFnd80/06171916322D

 15 16  0  0  0  0  0  0  0  0999 V2000
    1.5558    0.3380    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1588   -0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9278   -0.8260    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1748   -0.8260    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9498   -0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8638    0.1280    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4548    0.0590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0972   -0.4360    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8172   -0.1930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9642    0.5270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6722    0.7670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0922   -0.4600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3752   -0.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2362    0.2720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8312    1.5470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  5  4  2  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 10 11  2  0  0  0  0
 12 13  1  0  0  0  0
 13  9  2  0  0  0  0
 14 12  2  0  0  0  0
 15 11  1  0  0  0  0
  4  3  1  0  0  0  0
 11 14  1  0  0  0  0
M  END
>  <Mol_ID> (2,568)
2568

>  <Formula> (2,568)
C10H11N3OS

>  <MolWeight> (2,568)
221.27884

>  <COMPOUND_NAME> (2,568)
WAY-221298

>  <BAR_CODE_NO> (2,568)
3903657

$$$$
WAY-223539
csChFnd80/06171916322D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -0.5686    1.2020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5686    0.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5583    1.7710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4245    1.7813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5583   -0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5479    1.2020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4141    1.2020    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4245    2.9192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5479    0.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5652   -1.6532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4176    0.0641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5445   -0.5221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5824   -2.2221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4004   -0.5049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5410    0.0434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3935   -1.6497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4797   -0.1635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4797   -1.9945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1486   -1.0876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
  6  9  2  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (2,569)
2569

>  <Formula> (2,569)
C14H15NO4

>  <MolWeight> (2,569)
261.2732

>  <COMPOUND_NAME> (2,569)
WAY-223539

>  <BAR_CODE_NO> (2,569)
3902083

$$$$
WAY-232796
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    2.8483    0.8788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6207    0.1685    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0724    0.1685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8483    2.2823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3966    0.8650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6207   -1.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0724   -1.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2897    0.8788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0724    2.9788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8310    0.1685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3966    2.2823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8483   -1.9660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3034    2.2823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8310   -1.2626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0690    0.8788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0690   -1.9660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2966    0.1685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2966   -1.2626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5207   -1.9660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7517   -1.2626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9724   -1.9660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7517    0.1478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  8 13  2  0  0  0  0
 10 14  1  0  0  0  0
 10 15  2  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
  7 12  1  0  0  0  0
  9 13  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (2,570)
2570

>  <Formula> (2,570)
C18H17NO3

>  <MolWeight> (2,570)
295.33248

>  <COMPOUND_NAME> (2,570)
WAY-232796

>  <BAR_CODE_NO> (2,570)
3902403

$$$$
WAY-233719
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
    1.5605   -6.9570    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.4955   -9.5100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7080  -10.6805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8610  -10.8520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0640   -8.9370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4045  -11.8980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7330   -7.8080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5535   -8.9780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3750   -9.7940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7720  -12.8790    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6950   -7.2405    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.2295   -5.8220    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4660  -14.8295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4020  -14.3330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5630  -11.9395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5780  -16.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7080  -13.3580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3015  -13.1925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5380  -15.0365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6020  -14.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7505  -12.6960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2185   -9.7880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3840   -7.5185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4115  -14.1560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8985   -9.4865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2060   -8.3695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  7  2  0  0  0  0
  6  4  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  2  0  0  0  0
  9  8  1  0  0  0  0
 10  6  1  0  0  0  0
 11  1  1  0  0  0  0
 12  1  2  0  0  0  0
 13 14  1  0  0  0  0
 14 18  1  0  0  0  0
 15  6  2  0  0  0  0
 16 13  2  0  0  0  0
 17 10  1  0  0  0  0
 18 21  2  0  0  0  0
 19 20  1  0  0  0  0
 20 17  2  0  0  0  0
 21 17  1  0  0  0  0
 22  5  1  0  0  0  0
 23  7  1  0  0  0  0
 24 13  1  0  0  0  0
 25 26  1  0  0  0  0
 26 23  2  0  0  0  0
 25 22  2  0  0  0  0
  4  9  2  0  0  0  0
 14 19  2  0  0  0  0
M  END
>  <Mol_ID> (2,571)
2571

>  <Formula> (2,571)
C19H14N2O5

>  <MolWeight> (2,571)
350.32486

>  <COMPOUND_NAME> (2,571)
WAY-233719

>  <BAR_CODE_NO> (2,571)
3902682

$$$$
WAY-237036
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
    4.3033    2.8739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5061    3.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1604    1.5133    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0514    3.4456    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.7433    2.9133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5061    5.0279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8147    1.2127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9313    3.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1048    2.4007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5061    6.4230    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9313    5.0279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7433    1.5133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1440    5.7131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1440    7.1131    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.1440    2.9133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3516    3.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1048    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7001    2.4007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3516    5.0279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7001    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  2  2  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  5  1  0  0  0  0
  9  4  1  0  0  0  0
 10  6  3  0  0  0  0
 11  8  2  0  0  0  0
 12  5  1  0  0  0  0
 13 11  1  0  0  0  0
 14 13  1  0  0  0  0
 15  8  1  0  0  0  0
 16 15  2  0  0  0  0
 17  7  1  0  0  0  0
 18  9  1  0  0  0  0
 19 16  1  0  0  0  0
 20 18  2  0  0  0  0
 21 17  2  0  0  0  0
  9  7  2  0  0  0  0
 21 20  1  0  0  0  0
 13 19  2  0  0  0  0
M  END
>  <Mol_ID> (2,572)
2572

>  <Formula> (2,572)
C16H9FN2OS

>  <MolWeight> (2,572)
296.3188632

>  <COMPOUND_NAME> (2,572)
WAY-237036

>  <BAR_CODE_NO> (2,572)
3903887

$$$$
WAY-237354
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
    4.1064    2.2195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6825    3.5412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9686    1.3924    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2688    3.5412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8448    2.2195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2948    5.5483    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.4282    1.7813    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4953    4.6790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7428    1.3359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2487    4.6155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6236    5.1032    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   13.0121    6.9267    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9367    5.9512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0397    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8988    5.0679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5103    3.2371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0893    1.8377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7607    2.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1354    2.7707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8875    4.5307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1378    4.3823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4240    2.2195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4853    2.3043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8740    4.1349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4600    3.2371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6 10  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  7  1  0  0  0  0
 10 15  2  0  0  0  0
 11  6  1  0  0  0  0
 12  6  2  0  0  0  0
 13  8  2  0  0  0  0
 14  9  2  0  0  0  0
 15 24  1  0  0  0  0
 16 23  2  0  0  0  0
 17 18  1  0  0  0  0
 18  9  1  0  0  0  0
 19 17  1  0  0  0  0
 20  8  1  0  0  0  0
 21  4  1  0  0  0  0
 22  5  1  0  0  0  0
 23 19  1  0  0  0  0
 24 19  2  0  0  0  0
 25 22  1  0  0  0  0
 26 20  1  0  0  0  0
  4  5  2  0  0  0  0
 21 25  1  0  0  0  0
 16 10  1  0  0  0  0
M  END
>  <Mol_ID> (2,573)
2573

>  <Formula> (2,573)
C17H16N2O6S

>  <MolWeight> (2,573)
376.38374

>  <COMPOUND_NAME> (2,573)
WAY-237354

>  <BAR_CODE_NO> (2,573)
3901813

$$$$
WAY-237676-A
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
    0.2908    1.1644    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4920    1.6161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0701    1.6195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2976    0.2713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4955    2.5264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2782    1.1678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0701    2.5299    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8597    1.1678    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4748   -0.1805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2782    2.9713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0541    1.6195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8597    2.9747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6425    1.6264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4748   -1.0770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2541    0.2713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0541    2.5126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6425    2.5368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2976   -1.5115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2506   -1.5253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3114   -2.4046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2506   -2.4218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4679   -2.8701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0873   -2.8563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4644   -3.7667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0976   -3.7494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2368   -4.2115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  2  0  0  0  0
 10 16  1  0  0  0  0
 12 17  1  0  0  0  0
 14 18  1  0  0  0  0
 14 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
  5  7  1  0  0  0  0
 11 16  2  0  0  0  0
 13 17  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (2,574)
2574

>  <Formula> (2,574)
C20H21N3O3

>  <MolWeight> (2,574)
351.39904

>  <COMPOUND_NAME> (2,574)
WAY-237676-A

>  <BAR_CODE_NO> (2,574)
3903049

$$$$
WAY-238405
csChFnd80/06171916322D

 26 30  0  0  0  0  0  0  0  0999 V2000
   -3.4875    7.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8045    9.2680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8045    5.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1460    7.2195    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -4.0975   11.4635    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3905    8.9755    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1460    8.4880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1460    6.1220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1220    5.0975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   12.2930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1220   11.1955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0730    3.1220    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660    4.9510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5120    2.7560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1950    9.6585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1950    4.9510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8535    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2925    3.1220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2925    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   14.7560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490   12.4145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    0.7805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1705    6.1220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1705    8.4880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1220   16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9270   14.7560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  2  1  0  0  0  0
  8  3  1  0  0  0  0
  9  4  1  0  0  0  0
 10  5  1  0  0  0  0
 11  6  1  0  0  0  0
 12  3  2  0  0  0  0
 13  9  1  0  0  0  0
 14 13  2  0  0  0  0
 15  7  1  0  0  0  0
 16  8  1  0  0  0  0
 17 14  1  0  0  0  0
 18  9  2  0  0  0  0
 19 18  1  0  0  0  0
 20 10  2  0  0  0  0
 21 11  2  0  0  0  0
 22 19  2  0  0  0  0
 23 16  2  0  0  0  0
 24 15  2  0  0  0  0
 25 20  1  0  0  0  0
 26 21  1  0  0  0  0
  7  8  2  0  0  0  0
 11 10  1  0  0  0  0
 24 23  1  0  0  0  0
 22 14  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <Mol_ID> (2,575)
2575

>  <Formula> (2,575)
C22H15NO2S

>  <MolWeight> (2,575)
357.425

>  <COMPOUND_NAME> (2,575)
WAY-238405

>  <BAR_CODE_NO> (2,575)
3902862

$$$$
WAY-238854
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
    8.6943    3.3589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8583    2.6191    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0821    4.7048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9844    1.6732    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5372    4.7654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3361    3.0191    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.9739    3.4922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5293    1.3218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7491    1.2126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9667    0.6912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2957    3.2497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4103    5.8688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9337    2.9100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5837    2.3766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1171    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000    1.5640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3282    3.1283    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.0759    5.6871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2413    4.3651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7685    5.6385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2617    2.0857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4024    4.0014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7539    5.3474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.9409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7386    6.6933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  6  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  4  1  0  0  0  0
  9  2  1  0  0  0  0
 10  4  1  0  0  0  0
 11  7  1  0  0  0  0
 12  5  1  0  0  0  0
 13 17  1  0  0  0  0
 14  8  1  0  0  0  0
 15  8  2  0  0  0  0
 16 13  2  0  0  0  0
 17 21  1  0  0  0  0
 18  3  1  0  0  0  0
 19 11  2  0  0  0  0
 20 12  2  0  0  0  0
 21 14  1  0  0  0  0
 22  6  1  0  0  0  0
 23 22  1  0  0  0  0
 24 13  1  0  0  0  0
 25 20  1  0  0  0  0
  5  7  2  0  0  0  0
 23 18  1  0  0  0  0
 10  9  1  0  0  0  0
 20 19  1  0  0  0  0
M  END
>  <Mol_ID> (2,576)
2576

>  <Formula> (2,576)
C20H24N2O2S

>  <MolWeight> (2,576)
356.48176

>  <COMPOUND_NAME> (2,576)
WAY-238854

>  <BAR_CODE_NO> (2,576)
3902488

$$$$
WAY-239448
csChFnd80/06171916322D

 15 17  0  0  0  0  0  0  0  0999 V2000
    5.8361    1.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0788    2.3611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7422    2.0048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6419    0.6570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9339    0.1338    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2060    1.2029    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7358    3.6086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1504    3.6644    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8855    2.4615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5728    2.7955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4057    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9785    4.8451    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2697    2.1384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2697    0.7574    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0000    0.0558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  9  1  0  0  0  0
  9  6  2  0  0  0  0
 10  3  1  0  0  0  0
 11  4  1  0  0  0  0
 12  7  2  0  0  0  0
 13 10  1  0  0  0  0
 14 11  1  0  0  0  0
 15 14  1  0  0  0  0
  3  4  2  0  0  0  0
  7  8  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (2,577)
2577

>  <Formula> (2,577)
C11H12N2S2

>  <MolWeight> (2,577)
236.35638

>  <COMPOUND_NAME> (2,577)
WAY-239448

>  <BAR_CODE_NO> (2,577)
3902132

$$$$
WAY-239708
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
    4.7175   -9.0885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6570   -5.6195    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4925   -3.9545    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1565   -8.2210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6830  -10.8835    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3110   -3.9545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6830  -12.5920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2610  -13.4590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2180   -8.2210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7335   -3.1565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1565   -6.4610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0705   -6.4520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6570   -3.9890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4925   -5.6195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0705   -3.1565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2260  -15.1240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9065   -3.1220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1470   -3.9545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7430  -15.9305    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.1745  -15.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1745  -13.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6915  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1470   -5.6195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5690   -3.1565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9825   -3.9545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5690   -6.4520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9825   -5.6195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 11  1  0  0  0  0
  3 15  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6 17  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  2  0  0  0  0
  9  1  2  0  0  0  0
 10  6  2  0  0  0  0
 11  4  1  0  0  0  0
 12  2  1  0  0  0  0
 13  2  1  0  0  0  0
 14 12  1  0  0  0  0
 15 13  1  0  0  0  0
 16  8  1  0  0  0  0
 17  3  1  0  0  0  0
 18 10  1  0  0  0  0
 19 16  1  0  0  0  0
 20 21  2  0  0  0  0
 21  7  1  0  0  0  0
 22 20  1  0  0  0  0
 23 18  2  0  0  0  0
 24 18  1  0  0  0  0
 25 24  2  0  0  0  0
 26 23  1  0  0  0  0
 27 25  1  0  0  0  0
 16 22  2  0  0  0  0
 14  3  1  0  0  0  0
 27 26  2  0  0  0  0
M  END
>  <Mol_ID> (2,578)
2578

>  <Formula> (2,578)
C22H26FN3O

>  <MolWeight> (2,578)
367.4597432

>  <COMPOUND_NAME> (2,578)
WAY-239708

>  <BAR_CODE_NO> (2,578)
3903630

$$$$
WAY-240932
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -1.8221    1.0348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9117    0.0831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0772    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4531    2.2865    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4331    0.3693    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2565   -1.1721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4221   -0.5824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9703    1.6245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3634    3.1969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7366    0.6003    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6607   -0.9341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1607    1.6728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5289   -1.4928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6186    2.8762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5952   -0.3859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1607   -1.6479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8573   -0.1479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9814   -2.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8262   -1.9169    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.7193   -1.1721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2917   -2.3514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  5 12  2  0  0  0  0
  6 13  1  0  0  0  0
  8 14  1  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
  7 13  2  0  0  0  0
  9 14  2  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (2,579)
2579

>  <Formula> (2,579)
C15H11BrN2O2S

>  <MolWeight> (2,579)
363.22904

>  <COMPOUND_NAME> (2,579)
WAY-240932

>  <BAR_CODE_NO> (2,579)
3903962

$$$$
WAY-241100
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -4.4125    5.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0500    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1750    2.8960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0125    5.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0625    2.7710    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -5.9710    6.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0500   -1.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3125    2.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2250    2.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7125    7.2125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3415    6.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9750   -2.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1250   -2.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1250    3.6710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9000   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9750    0.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1540   -1.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4000    2.9585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9750   -4.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1250   -4.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0500   -5.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.3125   -0.0250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1250    9.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0500   -8.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0000    1.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  2  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  3  2  0  0  0  0
 10  4  1  0  0  0  0
 11  6  2  0  0  0  0
 12  7  1  0  0  0  0
 13  7  2  0  0  0  0
 14  8  2  0  0  0  0
 15  8  1  0  0  0  0
 16 17  1  0  0  0  0
 17 15  2  0  0  0  0
 18 14  1  0  0  0  0
 19 12  2  0  0  0  0
 20 13  1  0  0  0  0
 21 20  2  0  0  0  0
 22 16  1  0  0  0  0
 23  6  1  0  0  0  0
 24 21  1  0  0  0  0
 25 22  1  0  0  0  0
  2  3  1  0  0  0  0
 16 18  2  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <Mol_ID> (2,580)
2580

>  <Formula> (2,580)
C20H19NO4

>  <MolWeight> (2,580)
337.36916

>  <COMPOUND_NAME> (2,580)
WAY-241100

>  <BAR_CODE_NO> (2,580)
3901965

$$$$
WAY-243139
csChFnd80/06171916322D

 23 24  0  0  0  0  0  0  0  0999 V2000
   -1.1999   -1.7621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4654   -2.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2240   -0.9345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9033   -2.1621    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2346   -1.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5171   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7171   -2.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3861   -2.8207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9861   -2.9862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2139   -0.8862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2482   -1.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9346   -0.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0551   -1.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9001    0.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7449   -0.9379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6760    0.9483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7518    1.8793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6001    2.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9622    2.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6829    3.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0518    3.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9242    3.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0242    4.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  7 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 22 23  1  0  0  0  0
  6 10  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (2,581)
2581

>  <Formula> (2,581)
C16H24N2O4S

>  <MolWeight> (2,581)
340.43776

>  <COMPOUND_NAME> (2,581)
WAY-243139

>  <BAR_CODE_NO> (2,581)
3902754

$$$$
WAY-243140
csChFnd80/06171916322D

 23 24  0  0  0  0  0  0  0  0999 V2000
   -1.1999   -1.7621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4654   -2.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2240   -0.9345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9033   -2.1621    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2346   -1.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5171   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7171   -2.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3861   -2.8207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9861   -2.9862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2139   -0.8862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2482   -1.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9346   -0.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0551   -1.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9001    0.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7449   -0.9379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6760    0.9483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7518    1.8793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9622    2.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6001    2.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0518    3.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6829    3.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9242    3.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0242    4.7000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  7 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
  6 10  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (2,582)
2582

>  <Formula> (2,582)
C15H21ClN2O4S

>  <MolWeight> (2,582)
360.85624

>  <COMPOUND_NAME> (2,582)
WAY-243140

>  <BAR_CODE_NO> (2,582)
3902755

$$$$
WAY-243237
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -0.3490   -0.3057    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4843    1.3610    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3635    0.0943    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7635    0.9568    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0240   -0.7432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0968   -0.2932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3260    0.9235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0468    1.3568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7968    0.1443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1343   -1.1932    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9490    0.5943    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7240   -0.3057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9635    2.0110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5635    2.1818    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4240   -0.7432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0240   -1.5057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4240   -1.5057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7240   -1.9057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2968    1.4943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0740   -0.3057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0740   -1.9057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8260    0.8610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6343    0.9818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7532   -0.7432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7532   -1.5057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  1  0  0  0  0
  4  8  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  3  1  0  0  0  0
  8  7  1  0  0  0  0
  9  6  1  0  0  0  0
 10  1  2  0  0  0  0
 11  1  2  0  0  0  0
 12  5  2  0  0  0  0
 13  2  2  0  0  0  0
 14  2  2  0  0  0  0
 15 12  1  0  0  0  0
 16  5  1  0  0  0  0
 17 18  1  0  0  0  0
 18 16  2  0  0  0  0
 19  2  1  0  0  0  0
 20 15  1  0  0  0  0
 21 17  1  0  0  0  0
 22 19  1  0  0  0  0
 23 22  1  0  0  0  0
 24 20  2  0  0  0  0
 25 21  2  0  0  0  0
  4  9  1  0  0  0  0
 15 17  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (2,583)
2583

>  <Formula> (2,583)
C17H22N2O4S2

>  <MolWeight> (2,583)
382.49758

>  <COMPOUND_NAME> (2,583)
WAY-243237

>  <BAR_CODE_NO> (2,583)
3902749

$$$$
WAY-249399
csChFnd80/06171916322D

 21 24  0  0  0  0  0  0  0  0999 V2000
   -0.0170    0.1589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4554   -0.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4757   -0.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0170    0.6969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5036   -0.6411    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9450    0.1072    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9446    0.1589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4757    0.9693    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4554    0.9693    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0347   -0.7514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3036   -0.2928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9446    0.6969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4170   -0.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3036   -1.2204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8450   -0.2928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4170    0.9693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8757    0.1589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8450   -1.2204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1140   -0.7514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8757    0.6969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3446   -0.1031    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  2  0  0  0  0
  7 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  2  0  0  0  0
 14 18  2  0  0  0  0
 15 19  2  0  0  0  0
 16 20  2  0  0  0  0
 17 21  1  0  0  0  0
  8 12  1  0  0  0  0
 10 11  2  0  0  0  0
 17 20  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (2,584)
2584

>  <Formula> (2,584)
C16H9BrN2O2

>  <MolWeight> (2,584)
341.15886

>  <COMPOUND_NAME> (2,584)
WAY-249399

>  <BAR_CODE_NO> (2,584)
3902070

$$$$
WAY-299550
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -0.1828    0.4069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9448    0.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2379   -0.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2759    0.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3069   -0.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3069    1.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9379   -0.0138    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.0069   -0.9310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9759    0.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0759    1.7069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0621   -0.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0621    1.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5552   -0.4310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4241    0.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4448   -0.9138    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.5172   -1.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2759   -0.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2172   -1.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6931   -0.8552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
  7  9  1  0  0  0  0
 12 14  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (2,585)
2585

>  <Formula> (2,585)
C14H15ClN2O2

>  <MolWeight> (2,585)
278.7341

>  <COMPOUND_NAME> (2,585)
WAY-299550

>  <BAR_CODE_NO> (2,585)
3901372

$$$$
WAY-299560
csChFnd80/06171916322D

 20 21  0  0  0  0  0  0  0  0999 V2000
    0.0059    0.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5468    0.1971    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2716    0.6616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2661   -0.2777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0835    0.1971    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5434   -0.3471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5434    0.7345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8089    0.6555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8028   -0.2832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556   -0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0784    0.1806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0838    1.1199    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.0835   -0.7326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6151    0.1779    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.6281    1.1165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8221    1.5969    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.5529   -0.7923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3090   -1.2253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4424   -1.3201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9104   -1.5861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  8 11  2  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  2  0  0  0  0
 12 16  1  0  0  0  0
 13 17  2  0  0  0  0
 13 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
  9 11  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (2,586)
2586

>  <Formula> (2,586)
C11H9ClN2O5S

>  <MolWeight> (2,586)
316.71756

>  <COMPOUND_NAME> (2,586)
WAY-299560

>  <BAR_CODE_NO> (2,586)
3901387

$$$$
WAY-299562
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.7034    0.6034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7379    0.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2931    0.0897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5069    1.6897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6034    0.9207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9310   -0.8828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0690    0.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5828    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6379    0.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9690   -1.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1931    0.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1172    2.8414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8172   -0.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4897    1.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6483   -0.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7103   -0.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9931   -1.1483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7103   -1.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6483   -2.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4310   -3.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  2  0  0  0  0
  9 13  1  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
  7  8  1  0  0  0  0
 10 13  2  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (2,587)
2587

>  <Formula> (2,587)
C16H13NO3

>  <MolWeight> (2,587)
267.27932

>  <COMPOUND_NAME> (2,587)
WAY-299562

>  <BAR_CODE_NO> (2,587)
3901392

$$$$
WAY-299566
csChFnd80/06171916322D

 32 35  0  0  0  0  0  0  0  0999 V2000
   -0.5897   -0.9724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5897   -0.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1241   -1.3862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000   -1.3862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000    0.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1241    0.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1241   -2.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8379   -0.9724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0138   -0.9793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0138   -0.1552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3034    1.0897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1241    1.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8310   -2.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5483   -1.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7276   -1.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7276    0.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7966    1.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5379    1.5690    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5483   -2.2172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4379   -0.9793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4379   -0.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5379    2.3517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5724    1.3138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2897    2.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2621   -2.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0241    3.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7759    3.0276    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2621   -3.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8448    2.9414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9724   -3.8724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1828    2.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3241    3.6034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 12 17  1  0  0  0  0
 12 18  1  0  0  0  0
 13 19  1  0  0  0  0
 15 20  2  0  0  0  0
 16 21  2  0  0  0  0
 17 22  1  0  0  0  0
 17 23  2  0  0  0  0
 18 24  1  0  0  0  0
 19 25  1  0  0  0  0
 22 26  1  0  0  0  0
 24 27  2  0  0  0  0
 25 28  1  0  0  0  0
 26 29  1  0  0  0  0
 28 30  1  0  0  0  0
 29 31  1  0  0  0  0
 29 32  1  0  0  0  0
  9 10  1  0  0  0  0
 14 19  1  0  0  0  0
 20 21  1  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <Mol_ID> (2,588)
2588

>  <Formula> (2,588)
C22H27N5O3S2

>  <MolWeight> (2,588)
473.61148

>  <COMPOUND_NAME> (2,588)
WAY-299566

>  <BAR_CODE_NO> (2,588)
3901397

$$$$
WAY-299572
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -0.5379   -0.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1138   -1.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3517   -0.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1379    0.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6621   -1.8828    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7103   -1.2517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4276   -1.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0276   -0.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.1862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5621    0.8828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1103   -0.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1759   -1.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1000    0.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8517   -1.4310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2414   -2.7276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9241    0.9172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6000   -1.7828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3310    1.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2759   -1.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1586    1.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9103    2.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5621    2.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3103    3.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1448    3.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  9 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
  5  7  1  0  0  0  0
  9 11  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (2,589)
2589

>  <Formula> (2,589)
C18H18N2O3S

>  <MolWeight> (2,589)
342.41212

>  <COMPOUND_NAME> (2,589)
WAY-299572

>  <BAR_CODE_NO> (2,589)
3901403

$$$$
WAY-299580
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -1.8241   -0.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8207    0.7897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1069   -0.4586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5345   -0.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0966    1.2034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5379    1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3828   -0.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2483   -0.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3828    0.7897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2483    0.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3310   -0.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3345    1.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0414   -0.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7517   -0.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0379    0.7828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5345   -0.2069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7517   -1.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0172   -0.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5345   -1.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8414   -0.8655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  2  0  0  0  0
  9 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  2  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (2,590)
2590

>  <Formula> (2,590)
C15H11NO4

>  <MolWeight> (2,590)
269.25214

>  <COMPOUND_NAME> (2,590)
WAY-299580

>  <BAR_CODE_NO> (2,590)
3901411

$$$$
WAY-299581
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -0.0304    0.7267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0304    1.8336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9109    0.1612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0098    0.1922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9787    2.3681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9523    2.3681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9109   -0.9388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8937    0.7267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0098   -0.9181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9615    3.4647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9580    1.8336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9627    3.4371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0649   -1.4802    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8661   -1.5285    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8489    1.2647    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9580   -1.4560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0040    4.0405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9787    0.6991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8489   -0.9905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9580   -2.5595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9304   -0.9181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7696   -1.5285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9063   -3.1043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8580   -1.4802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7696   -2.6353    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7523   -0.9905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8580   -2.5871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  3  0  0  0  0
  9 16  1  0  0  0  0
 10 17  1  0  0  0  0
 11 18  1  0  0  0  0
 14 19  1  0  0  0  0
 16 20  2  0  0  0  0
 16 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  2  0  0  0  0
 22 25  1  0  0  0  0
 22 26  2  0  0  0  0
 23 27  2  0  0  0  0
  9 13  2  0  0  0  0
 12 17  2  0  0  0  0
 24 27  1  0  0  0  0
M  END
>  <Mol_ID> (2,591)
2591

>  <Formula> (2,591)
C21H16N2O3S

>  <MolWeight> (2,591)
376.42834

>  <COMPOUND_NAME> (2,591)
WAY-299581

>  <BAR_CODE_NO> (2,591)
3901412

$$$$
WAY-299582
csChFnd80/06171916322D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -0.1722    0.0519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4795    0.4278    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1722   -0.7067    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8274    0.4278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1278    0.0519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4795    1.1795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8274   -1.0791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4722    0.0519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8274    1.1795    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.7795    0.4278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1278    1.5519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4722   -0.7067    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8274   -1.8308    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7795    1.1795    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1757   -2.2067    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  2  0  0  0  0
  7 13  1  0  0  0  0
 10 14  1  0  0  0  0
 13 15  1  0  0  0  0
  8 12  1  0  0  0  0
 11 14  1  0  0  0  0
M  END
>  <Mol_ID> (2,592)
2592

>  <Formula> (2,592)
C8H12FN5O

>  <MolWeight> (2,592)
213.2121832

>  <COMPOUND_NAME> (2,592)
WAY-299582

>  <BAR_CODE_NO> (2,592)
3901413

$$$$
WAY-299583
csChFnd80/06171916322D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -2.7964   -0.1964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7964    1.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4757   -0.9757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2446   -0.6653    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4757    2.0761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2446    1.7968    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1653   -0.1964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1170    0.5554    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1653    1.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1657    2.0761    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5036    1.3036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5036   -0.2239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8243    2.0554    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8243   -0.9757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1657   -0.9757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8243   -2.5239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1657   -2.5239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5036   -3.2757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (2,593)
2593

>  <Formula> (2,593)
C13H9N3OS

>  <MolWeight> (2,593)
255.29506

>  <COMPOUND_NAME> (2,593)
WAY-299583

>  <BAR_CODE_NO> (2,593)
3901415

$$$$
WAY-299584
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.0241    0.1276    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.5690   -0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5138   -0.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0241    0.7414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1069    0.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5690   -0.8379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0517    0.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5138    1.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6483   -0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1069   -1.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0517    0.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5931   -0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5138    1.6793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6483   -0.8379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5931    1.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1310    0.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1862   -1.1586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1310    0.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1862   -1.7724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  2  0  0  0  0
 11 15  1  0  0  0  0
 12 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 18  2  0  0  0  0
 17 19  1  0  0  0  0
  8 11  1  0  0  0  0
 10 14  1  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (2,594)
2594

>  <Formula> (2,594)
C15H13NO3

>  <MolWeight> (2,594)
255.26862

>  <COMPOUND_NAME> (2,594)
WAY-299584

>  <BAR_CODE_NO> (2,594)
3901416

$$$$
WAY-299589
csChFnd80/06171916322D

 17 18  0  0  0  0  0  0  0  0999 V2000
    2.0345    0.8617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2034    0.8617    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5931    1.4824    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4483    0.1479    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7931    0.1444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3345    1.1444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2552    0.3237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0414    0.1444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2034   -0.5694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4517   -0.5694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2793   -0.5694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6897    0.1479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6897   -1.2797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5172    0.1479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5172   -1.2797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9276   -0.5694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7517   -0.5694    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
  6  7  2  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <Mol_ID> (2,595)
2595

>  <Formula> (2,595)
C11H9BrN2O2S

>  <MolWeight> (2,595)
313.17036

>  <COMPOUND_NAME> (2,595)
WAY-299589

>  <BAR_CODE_NO> (2,595)
3901422

$$$$
WAY-299590
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.0266   -0.9888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5366   -1.2858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0266   -0.4008    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5366   -1.8858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4924   -1.3128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4924   -0.1278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5366   -0.1038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0266   -2.1798    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0266    1.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0856   -0.9888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5366    0.4722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4924    0.4452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0266    0.7692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4924    1.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0856   -2.1798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0384    1.3362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4924    2.2302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6286   -1.2858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6286   -1.8858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0384    2.5242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5844    1.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5844    2.2302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  2  4  2  0  0  0  0
  5  1  2  0  0  0  0
  6  3  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  1  0  0  0  0
  9 13  1  0  0  0  0
 10  2  1  0  0  0  0
 11  7  1  0  0  0  0
 12  6  1  0  0  0  0
 13 11  1  0  0  0  0
 14  9  1  0  0  0  0
 15  4  1  0  0  0  0
 16 14  1  0  0  0  0
 14 17  2  0  0  0  0
 18 10  2  0  0  0  0
 19 18  1  0  0  0  0
 20 17  1  0  0  0  0
 21 16  2  0  0  0  0
 20 22  2  0  0  0  0
 12 13  1  0  0  0  0
 15 19  2  0  0  0  0
 22 21  1  0  0  0  0
M  END
>  <Mol_ID> (2,596)
2596

>  <Formula> (2,596)
C19H20FNO

>  <MolWeight> (2,596)
297.3666032

>  <COMPOUND_NAME> (2,596)
WAY-299590

>  <BAR_CODE_NO> (2,596)
3901423

$$$$
WAY-299604
csChFnd80/06171916322D

 19 22  0  0  0  0  0  0  0  0999 V2000
    7.1957    6.5277    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6500    7.2161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7257    5.8739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5173    6.1767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1544    7.8493    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4484    7.0027    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.4041    6.7755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1918    5.7637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4041    7.6015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9008    6.1424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4848    5.0823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7061    5.7913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9834    6.9820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2223    6.4039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7818    7.1679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7090    6.3626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7090    8.0145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.7755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    7.6015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  2  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  4  2  0  0  0  0
  9  7  2  0  0  0  0
 10  8  1  0  0  0  0
 11  3  2  0  0  0  0
 12 10  1  0  0  0  0
 13 10  2  0  0  0  0
 14 12  1  0  0  0  0
 15 13  1  0  0  0  0
 16  7  1  0  0  0  0
 17  9  1  0  0  0  0
 18 16  2  0  0  0  0
 19 18  1  0  0  0  0
  9  5  1  0  0  0  0
  4  6  1  0  0  0  0
 19 17  2  0  0  0  0
 15 14  2  0  0  0  0
M  END
>  <Mol_ID> (2,597)
2597

>  <Formula> (2,597)
C14H8N2O2S

>  <MolWeight> (2,597)
268.29052

>  <COMPOUND_NAME> (2,597)
WAY-299604

>  <BAR_CODE_NO> (2,597)
3901438

$$$$
WAY-299605
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -0.2276    0.4655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2276   -0.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4138    0.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9483    0.7069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4138   -0.6552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9483   -0.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0517    0.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4138    1.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3655    0.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0517   -0.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1724    1.5897    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3276    1.5897    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.4138    2.3517    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1103    0.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6897   -0.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4862    0.7448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4862   -0.5552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6897   -1.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3345   -0.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2276    0.7448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3345   -1.7724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9724   -0.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6621    1.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7000    0.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9724   -1.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3862    1.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3793    0.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6345   -1.7931    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.2897   -1.4103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6345   -2.5552    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  1  0  0  0  0
 15 19  2  0  0  0  0
 16 20  1  0  0  0  0
 18 21  2  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
 23 26  1  0  0  0  0
 24 27  1  0  0  0  0
 25 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
 22 25  2  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (2,598)
2598

>  <Formula> (2,598)
C19H16F3N5O3

>  <MolWeight> (2,598)
419.3572496

>  <COMPOUND_NAME> (2,598)
WAY-299605

>  <BAR_CODE_NO> (2,598)
3901439

$$$$
WAY-299608
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
   -0.3724    0.3414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3724   -0.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4414    0.8276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2724    0.6414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4414   -1.0724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2724   -0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2690    0.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4414    1.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8103   -0.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2690   -0.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5103    1.7621    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.4414    2.7276    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.4069    1.7621    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7724   -0.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0897   -1.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2310    0.6793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2310   -0.9724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9069   -0.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0897   -2.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1931    0.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6586    1.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7276   -1.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9069   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7724    1.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8586    2.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7276   -2.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5793    2.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6931    2.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5414   -2.5207    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.3690   -2.0379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5414   -3.4586    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 16 21  1  0  0  0  0
 18 22  1  0  0  0  0
 19 23  2  0  0  0  0
 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
 22 26  2  0  0  0  0
 24 27  1  0  0  0  0
 25 28  1  0  0  0  0
 26 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
 23 26  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (2,599)
2599

>  <Formula> (2,599)
C20H18F3N5O3

>  <MolWeight> (2,599)
433.3838296

>  <COMPOUND_NAME> (2,599)
WAY-299608

>  <BAR_CODE_NO> (2,599)
3901442

$$$$
WAY-299609
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -0.8897   -0.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7000   -0.5828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4724   -1.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4897    0.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3828   -0.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7759   -1.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0138   -1.7345    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3621   -1.1069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3414    0.3345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9138    1.0310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3103    0.7172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1276   -0.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7621   -0.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7483    1.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9828    1.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8103    0.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5724    1.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7379    0.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9897    0.3448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9793    1.7793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4103    1.3069    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8172    0.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2379   -0.3586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4517   -1.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9241    0.0931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2655   -1.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5621   -0.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 18  2  0  0  0  0
 17 19  1  0  0  0  0
 17 20  2  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
  6  7  1  0  0  0  0
  9 13  1  0  0  0  0
 16 18  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <Mol_ID> (2,600)
2600

>  <Formula> (2,600)
C19H14ClN3O3S

>  <MolWeight> (2,600)
399.85076

>  <COMPOUND_NAME> (2,600)
WAY-299609

>  <BAR_CODE_NO> (2,600)
3901443

$$$$
WAY-299631
csChFnd80/06171916322D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -1.0776   -0.2039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1155   -0.2039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6741   -1.2418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6741    0.8237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7121   -1.2315    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7121    0.8237    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8776   -1.2418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8776    0.8237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8948   -1.2315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4741   -0.2039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4810   -0.2142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6569   -0.2039    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.9948    0.8409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6672   -0.0763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8534    1.6547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8810    1.0858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
  8 10  2  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <Mol_ID> (2,601)
2601

>  <Formula> (2,601)
C12H10ClNO2

>  <MolWeight> (2,601)
235.6663

>  <COMPOUND_NAME> (2,601)
WAY-299631

>  <BAR_CODE_NO> (2,601)
3901470

$$$$
WAY-299649
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -1.5345   -0.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6966   -0.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6172   -1.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2448    0.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2552   -0.8241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2655    0.6759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8276   -1.4655    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4069   -1.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0276   -0.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6138   -0.8241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6034    0.6862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6966    1.4345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1069   -0.9828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2966    0.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8966   -0.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0448   -0.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0345    1.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9138   -0.0759    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5828    2.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3448   -0.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2862    2.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0138    2.9448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2138   -0.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6345   -1.5931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6552   -0.0931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5034   -1.6034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  2  0  0  0  0
 11 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  2  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  1  0  0  0  0
  5  7  1  0  0  0  0
  9 13  1  0  0  0  0
 11 16  1  0  0  0  0
M  END
>  <Mol_ID> (2,602)
2602

>  <Formula> (2,602)
C18H22N2O4S2

>  <MolWeight> (2,602)
394.50828

>  <COMPOUND_NAME> (2,602)
WAY-299649

>  <BAR_CODE_NO> (2,602)
3901494

$$$$
WAY-299658
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
    1.0762   -0.9272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0141   -0.9272    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5934   -0.0858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5934   -1.7272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9865   -0.9272    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0141    0.0349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0141   -1.8755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3756   -0.0858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3756   -1.7272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4451   -1.7272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4451   -0.0858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8342   -0.9272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8342    0.7245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4141   -1.7272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4141   -0.0858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8066    0.7245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3756    1.5245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8762   -0.9272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2652    1.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2238    1.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6859    0.7245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6859    2.3659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6549    0.7245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6549    2.3659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1135    1.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  8 12  2  0  0  0  0
  8 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  2  0  0  0  0
 14 18  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
  9 12  1  0  0  0  0
 15 18  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (2,603)
2603

>  <Formula> (2,603)
C19H22N2O3S

>  <MolWeight> (2,603)
358.45458

>  <COMPOUND_NAME> (2,603)
WAY-299658

>  <BAR_CODE_NO> (2,603)
3901505

$$$$
WAY-299665
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -1.0135    1.8003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0549    1.4865    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0135    2.8210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9135    1.2865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2589    0.5210    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5244    2.3210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0549    3.1210    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9135    3.3210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7928    1.8003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5624   -0.4342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2141    0.8348    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7031    0.2141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5244    2.3520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7928    2.8210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5589   -0.6514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0928   -1.1997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8624   -1.6135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2244   -2.1514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2072   -2.3790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5141   -3.3273    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8589   -4.0652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1238   -3.8514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1589   -5.0273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  5 12  2  0  0  0  0
  6 13  1  0  0  0  0
  8 14  2  0  0  0  0
 10 15  1  0  0  0  0
 10 16  2  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
  6  7  2  0  0  0  0
  9 14  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (2,604)
2604

>  <Formula> (2,604)
C16H15N3O3S

>  <MolWeight> (2,604)
329.3736

>  <COMPOUND_NAME> (2,604)
WAY-299665

>  <BAR_CODE_NO> (2,604)
3901512

$$$$
WAY-299675
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -1.3069   -0.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7931    0.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4793   -0.3276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5621   -1.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4552    1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6138    0.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2276   -1.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8931   -1.5931    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9345    1.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0966    0.9276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5586   -1.3690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7552    1.6828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1724   -0.8172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9621   -1.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0034   -0.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5724   -0.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6207    0.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4069    0.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0207    0.8276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8034    0.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  9 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
  7  8  1  0  0  0  0
 10 12  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (2,605)
2605

>  <Formula> (2,605)
C15H13N3OS

>  <MolWeight> (2,605)
283.34822

>  <COMPOUND_NAME> (2,605)
WAY-299675

>  <BAR_CODE_NO> (2,605)
3901522

$$$$
WAY-299686
csChFnd80/06171916322D

 18 21  0  0  0  0  0  0  0  0999 V2000
    0.1065    0.9864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1065   -0.4964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4444    0.8347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1935    1.7347    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2755   -1.1032    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1935   -1.2446    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4444   -0.3446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7548    1.7554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5038    0.9864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2755   -2.8653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5038   -0.4964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7548   -1.2446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0341    1.0140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8038    1.7347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8038   -1.2446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0341   -0.4964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1142    0.9864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1142   -0.4964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  2  0  0  0  0
  5  7  1  0  0  0  0
  9 11  1  0  0  0  0
 13 16  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (2,606)
2606

>  <Formula> (2,606)
C15H11N3

>  <MolWeight> (2,606)
233.26794

>  <COMPOUND_NAME> (2,606)
WAY-299686

>  <BAR_CODE_NO> (2,606)
3901537

$$$$
WAY-299998
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
    1.4131   -0.4075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4441   -0.5937    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0614    0.5822    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7338   -1.2075    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7993   -1.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1269    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0372    0.7649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2904   -1.0144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8303   -1.7730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1579    0.0132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3145    1.7511    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6421   -0.0247    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9697   -1.8144    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5096   -0.9765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3579    2.5511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3455    1.9408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0007   -1.6282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0131    3.5408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7007    2.9304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3559   -0.6385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6800   -2.4247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0214    3.7304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3835   -0.4454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7145   -2.2351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0662   -1.2454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  1  0  0  0  0
 13 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 17 21  2  0  0  0  0
 18 22  1  0  0  0  0
 20 23  2  0  0  0  0
 21 24  1  0  0  0  0
 23 25  1  0  0  0  0
  8 12  2  0  0  0  0
 10 14  1  0  0  0  0
 19 22  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (2,607)
2607

>  <Formula> (2,607)
C17H22N6O2

>  <MolWeight> (2,607)
342.39558

>  <COMPOUND_NAME> (2,607)
WAY-299998

>  <BAR_CODE_NO> (2,607)
3901935

$$$$
WAY-300041
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.1414   -0.1931    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.4379   -0.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1414    0.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7172   -0.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4379   -1.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000   -0.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7621    0.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4828    0.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7172   -1.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3414   -0.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1414   -1.5103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0207   -1.5103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000   -1.1828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2103   -0.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7621    1.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4828    1.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3276   -1.5310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9483    0.1759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1414    1.9517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1414    2.6517    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  2  0  0  0  0
  6 14  1  0  0  0  0
  7 15  2  0  0  0  0
  8 16  1  0  0  0  0
  9 17  1  0  0  0  0
 10 18  3  0  0  0  0
 15 19  1  0  0  0  0
 19 20  1  0  0  0  0
  9 11  1  0  0  0  0
 12 13  1  0  0  0  0
 16 19  2  0  0  0  0
M  END
>  <Mol_ID> (2,608)
2608

>  <Formula> (2,608)
C14H11FN4O

>  <MolWeight> (2,608)
270.2617432

>  <COMPOUND_NAME> (2,608)
WAY-300041

>  <BAR_CODE_NO> (2,608)
3901996

$$$$
WAY-300150
csChFnd80/06171916322D

 28 30  0  0  0  0  0  0  0  0999 V2000
   -1.2950   -0.3718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9605    0.0524    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6363   -0.0028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2950   -1.1442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6156    0.3868    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3708   -0.6097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5777    0.7144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0188   -0.3718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6363   -1.5132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9605   -1.5373    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.6156    1.1937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2915    0.0524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6878   -0.0028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0188   -1.1442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2743    1.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9467    0.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3430   -0.3718    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6878    0.7696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9467    1.2144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0119   -0.0028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6671   -0.3718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0119    0.7420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3223   -0.0028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6671    1.1351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3430    0.7696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9913   -0.4028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6464   -0.0270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0050   -1.1683    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  2  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  2  0  0  0  0
 15 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  2  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
  9 14  1  0  0  0  0
 16 19  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (2,609)
2609

>  <Formula> (2,609)
C19H19ClN2O5S

>  <MolWeight> (2,609)
422.88256

>  <COMPOUND_NAME> (2,609)
WAY-300150

>  <BAR_CODE_NO> (2,609)
3902130

$$$$
WAY-300202
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -0.3552   -0.1276    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.5655   -0.8069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8310   -0.8069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3793    1.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5655   -2.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8690   -0.3897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8310   -2.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0724   -0.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5897    1.9931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8103    1.9931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3552   -2.9069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8690   -2.6172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7034   -1.5069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0724   -2.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2724   -0.7897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0724    1.3069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5897    3.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8103    3.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4586   -0.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3793    4.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
  6 13  2  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  2  0  0  0  0
  9 17  1  0  0  0  0
 10 18  2  0  0  0  0
 15 19  1  0  0  0  0
 17 20  2  0  0  0  0
  7 11  1  0  0  0  0
 12 13  1  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (2,610)
2610

>  <Formula> (2,610)
C13H13N5O2

>  <MolWeight> (2,610)
271.27462

>  <COMPOUND_NAME> (2,610)
WAY-300202

>  <BAR_CODE_NO> (2,610)
3902193

$$$$
WAY-299721
csChFnd80/06171916322D

 29 31  0  0  0  0  0  0  0  0999 V2000
   -2.6690    0.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9586   -0.2310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4897    0.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4172    1.0483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2690    0.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9172   -1.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0586    0.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8000   -0.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5379    1.0586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4690   -0.0207    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6897   -1.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8793    0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6276   -0.8414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1517    0.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2000   -0.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9724    0.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6103    0.9483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1724   -0.4414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4310    0.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6414   -0.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0517    1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4517   -0.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8828    1.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8621    2.1310    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.1000    0.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6207   -1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7931   -2.0207    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.4621   -1.0310    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.7828   -1.3724    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  2  0  0  0  0
 10 14  1  0  0  0  0
 12 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  2  0  0  0  0
 21 24  1  0  0  0  0
 22 25  2  0  0  0  0
 22 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
  5  9  2  0  0  0  0
 13 15  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (2,611)
2611

>  <Formula> (2,611)
C18H15ClF3N5OS

>  <MolWeight> (2,611)
441.8578096

>  <COMPOUND_NAME> (2,611)
WAY-299721

>  <BAR_CODE_NO> (2,611)
3901579

$$$$
WAY-299727
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -2.0583  -19.0417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8583  -18.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9833  -19.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7083  -20.4292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5833  -19.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5083  -20.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1750  -20.3042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0792  -18.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542  -20.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2792  -18.1667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0875  -19.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458  -19.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1500  -19.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292  -21.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0125  -18.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8917  -20.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9333  -17.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5417  -18.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7417  -18.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6167  -19.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3833  -18.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2250  -20.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8125  -18.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1083  -19.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0333  -20.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  3  1  0  0  0  0
  8 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 18  1  0  0  0  0
 11  9  1  0  0  0  0
 12  7  1  0  0  0  0
 13  8  2  0  0  0  0
 14  9  2  0  0  0  0
 15 11  1  0  0  0  0
 16 11  2  0  0  0  0
 17  2  1  0  0  0  0
 18 20  2  0  0  0  0
 19 15  2  0  0  0  0
 20 16  1  0  0  0  0
 21  5  1  0  0  0  0
 22  6  1  0  0  0  0
 23  8  1  0  0  0  0
 24 21  2  0  0  0  0
 25 22  2  0  0  0  0
  5  6  2  0  0  0  0
 24 25  1  0  0  0  0
 19 18  1  0  0  0  0
M  END
>  <Mol_ID> (2,612)
2612

>  <Formula> (2,612)
C18H15N3O3S

>  <MolWeight> (2,612)
353.395

>  <COMPOUND_NAME> (2,612)
WAY-299727

>  <BAR_CODE_NO> (2,612)
3901585

$$$$
WAY-299835
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -2.4378    0.4896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2723    0.4896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4378   -0.5553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4723    1.0206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2723   -0.5553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0930    0.4896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4723   -1.1104    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3516   -1.0760    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5240    0.5206    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4723    2.1275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1792   -1.0760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0930   -0.5553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5240   -0.5242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4346    1.0758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4622   -0.9587    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4242    2.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4622   -0.4587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3967   -1.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3553   -0.4829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3760   -2.2587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3242    0.6275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3277   -1.0311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2898    1.2137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2967   -0.4449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2691    0.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1829    1.2309    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  2  0  0  0  0
  9 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 19 22  2  0  0  0  0
 21 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
  5  8  1  0  0  0  0
  9 13  1  0  0  0  0
 11 12  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (2,613)
2613

>  <Formula> (2,613)
C19H17BrN2O2S2

>  <MolWeight> (2,613)
449.38448

>  <COMPOUND_NAME> (2,613)
WAY-299835

>  <BAR_CODE_NO> (2,613)
3901728

$$$$
WAY-299838
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -1.8176    1.3238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8314    1.9307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8211    0.1445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7797    1.9100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8694    1.3514    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7970   -0.4658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375    1.3135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8728    0.1687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8832    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2237    0.1204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9142   -0.4141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9176    1.3825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2479   -0.4762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9280    0.1963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2720    0.0963    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2306   -1.6658    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2996   -0.5003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2824   -1.6762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3168    0.0756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3030   -2.2727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3444   -0.5106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3272   -1.6934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3479   -2.2969    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
  7 10  2  0  0  0  0
 12 14  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (2,614)
2614

>  <Formula> (2,614)
C18H19IN2O2

>  <MolWeight> (2,614)
422.26013

>  <COMPOUND_NAME> (2,614)
WAY-299838

>  <BAR_CODE_NO> (2,614)
3901732

$$$$
WAY-300272
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.2039   -0.1892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4857    0.2177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2039   -1.0029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8867    0.2177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4857    1.0108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1857   -0.1892    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4857   -1.4064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8867   -1.4064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5867   -0.1892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1616    1.4315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2039    1.3626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1857   -1.0029    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4857   -2.1892    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5867   -1.0029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1236    2.2177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2419    2.1695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1867   -2.5823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4133    2.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1867   -3.3685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3616    3.3695    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8626   -3.7685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3384    3.7177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  2  0  0  0  0
 10 15  1  0  0  0  0
 11 16  2  0  0  0  0
 13 17  1  0  0  0  0
 15 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
  7 12  2  0  0  0  0
  9 14  1  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (2,615)
2615

>  <Formula> (2,615)
C18H18N2O2

>  <MolWeight> (2,615)
294.34772

>  <COMPOUND_NAME> (2,615)
WAY-300272

>  <BAR_CODE_NO> (2,615)
3902285

$$$$
WAY-300285
csChFnd80/06171916322D

 33 37  0  0  0  0  0  0  0  0999 V2000
    0.6345    0.5655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6345   -0.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2552    0.9483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0655    0.7966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2552   -0.5241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0655   -0.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8759    0.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2552    1.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4655    0.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8759   -0.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3138   -1.0724    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2552    2.3862    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.9759    1.6655    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.5345    1.6655    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1862    0.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4931   -0.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5345   -0.4517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5345    0.8172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1138   -0.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4931   -1.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2552   -0.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7448   -0.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1138   -1.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6069    0.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6069   -1.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7448   -1.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3241    0.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3241   -1.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3759   -1.5517    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.6759   -0.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8241    0.6966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3552   -0.3448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4862    0.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  2  0  0  0  0
 21 24  1  0  0  0  0
 21 25  2  0  0  0  0
 22 26  2  0  0  0  0
 24 27  2  0  0  0  0
 25 28  1  0  0  0  0
 26 29  1  0  0  0  0
 27 30  1  0  0  0  0
 27 31  1  0  0  0  0
 30 32  1  0  0  0  0
 31 33  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
 23 26  1  0  0  0  0
 28 30  2  0  0  0  0
 32 33  1  0  0  0  0
M  END
>  <Mol_ID> (2,616)
2616

>  <Formula> (2,616)
C21H11Cl2F3N4O3

>  <MolWeight> (2,616)
495.2382496

>  <COMPOUND_NAME> (2,616)
WAY-300285

>  <BAR_CODE_NO> (2,616)
3902299

$$$$
WAY-300315
csChFnd80/06171916322D

 17 18  0  0  0  0  0  0  0  0999 V2000
    2.9588   -0.6036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9588    0.5929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9209   -1.1795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9830   -1.1968    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.9209    1.1929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9830    1.1688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9036   -0.5933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9036    0.5929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1101   -1.1795    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1446   -0.5933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1446    0.5964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1722   -1.1795    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1722    1.1929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1929   -0.5933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1929    0.5964    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1722    2.3653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2308   -1.1795    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  5  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 14 17  2  0  0  0  0
  7  8  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (2,617)
2617

>  <Formula> (2,617)
C11H10ClN3O2

>  <MolWeight> (2,617)
251.669

>  <COMPOUND_NAME> (2,617)
WAY-300315

>  <BAR_CODE_NO> (2,617)
3902337

$$$$
WAY-300338
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -0.0674   -1.0450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5785   -1.0450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8951   -0.4908    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4049   -0.4908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5785    0.0717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0674    0.0717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4049   -1.6283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7216   -2.2075    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0423   -0.4908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9160    0.6300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9160   -1.6075    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3674   -1.0450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3674    0.0717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5577    0.6300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5952    1.1925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3216   -0.4908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5577    1.7550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0049   -1.0450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0049    0.0717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8702    1.1925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9160    1.7550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9841   -0.4908    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.8702    2.3175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5077    2.3175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  6  1  0  0  0  0
  6  4  2  0  0  0  0
  7  1  1  0  0  0  0
  8  7  3  0  0  0  0
  9  4  1  0  0  0  0
 10  5  1  0  0  0  0
 11  2  1  0  0  0  0
 12  9  2  0  0  0  0
 13  9  1  0  0  0  0
 14 10  2  0  0  0  0
 15 10  1  0  0  0  0
 16 19  1  0  0  0  0
 17 21  1  0  0  0  0
 18 12  1  0  0  0  0
 19 13  2  0  0  0  0
 20 14  1  0  0  0  0
 21 15  2  0  0  0  0
 22 16  1  0  0  0  0
 23 17  1  0  0  0  0
 24 23  1  0  0  0  0
  3  5  2  0  0  0  0
 18 16  2  0  0  0  0
 17 20  2  0  0  0  0
M  END
>  <Mol_ID> (2,618)
2618

>  <Formula> (2,618)
C19H14ClN3O

>  <MolWeight> (2,618)
335.78696

>  <COMPOUND_NAME> (2,618)
WAY-300338

>  <BAR_CODE_NO> (2,618)
3902367

$$$$
WAY-300353
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -0.1448    0.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1724    0.4483    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.1448   -0.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4655    0.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3552    0.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4931    0.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0069    0.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1724   -0.2931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4655   -0.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7862    0.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7345    0.7483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1724    1.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4931   -0.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1931   -0.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7862   -0.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9138    1.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3552    1.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8345   -0.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7724   -0.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1069   -0.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5345   -0.8379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7345    1.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2724    1.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4448   -0.7172    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7276   -0.9172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7069   -1.2724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0862   -0.8172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0448   -1.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2655   -1.1517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
  6 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  2  0  0  0  0
 11 16  2  0  0  0  0
 12 17  1  0  0  0  0
 13 18  1  0  0  0  0
 13 19  1  0  0  0  0
 14 20  1  0  0  0  0
 14 21  2  0  0  0  0
 16 22  1  0  0  0  0
 16 23  1  0  0  0  0
 20 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
  8 13  1  0  0  0  0
 10 15  1  0  0  0  0
 17 22  2  0  0  0  0
 28 29  2  0  0  0  0
M  END
>  <Mol_ID> (2,619)
2619

>  <Formula> (2,619)
C23H26N4OS

>  <MolWeight> (2,619)
406.54374

>  <COMPOUND_NAME> (2,619)
WAY-300353

>  <BAR_CODE_NO> (2,619)
3902389

$$$$
WAY-300411
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -0.9448   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9448   -0.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4207   -1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4621   -1.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4207    0.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4621    0.1207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1172   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9828   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1172   -0.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9828   -0.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6552   -1.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9552   -0.5621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2000   -1.4172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3379   -1.6414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6552   -0.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9552    0.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0552   -0.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6552    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2621    0.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0552    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9552    1.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2793    2.0828    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    1.2379    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.4172    1.8586    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  2  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (2,620)
2620

>  <Formula> (2,620)
C15H12F3NO4S

>  <MolWeight> (2,620)
359.3202896

>  <COMPOUND_NAME> (2,620)
WAY-300411

>  <BAR_CODE_NO> (2,620)
3902460

$$$$
WAY-300418
csChFnd80/06171916322D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -2.4530    0.9529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4530    0.2598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8047    1.1564    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0358    1.2908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8047    0.0357    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0358   -0.0988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4013    0.5977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6392    0.9529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6392    0.2391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6841    0.5736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2427    1.3357    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3496   -0.0092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3435   -0.0092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7022   -0.6126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3987   -0.6126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7332   -1.1954    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8677   -0.0988    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4056   -1.0367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4711   -0.3678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9642   -1.4402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0987   -0.0747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5918   -1.1712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6573   -0.4781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3091   -0.1885    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
  5  7  1  0  0  0  0
  8  9  2  0  0  0  0
 18 19  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (2,621)
2621

>  <Formula> (2,621)
C18H20N6

>  <MolWeight> (2,621)
320.3916

>  <COMPOUND_NAME> (2,621)
WAY-300418

>  <BAR_CODE_NO> (2,621)
3902468

$$$$
WAY-300422-A
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
   -0.7200    0.6431    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1248    1.1155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5579    1.0224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7338   -0.2155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2973    2.0293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8697    0.4983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8338    1.9051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2234    0.3465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4821   -0.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1455   -0.7397    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3476    2.7189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1628    2.3465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7352    0.8431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2924    2.6603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7200    2.1362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1165    0.5741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3993   -1.6949    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8800    1.7534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4766    0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3648    1.4396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1579   -2.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5545   -2.0535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3490    0.5810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0338   -3.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4441   -2.9914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0869    0.0017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5041    1.5189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1717   -3.5397    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9214   -0.9397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0476   -4.4673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6490   -1.5293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  2  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8 16  2  0  0  0  0
  9 17  1  0  0  0  0
 12 18  2  0  0  0  0
 13 19  1  0  0  0  0
 15 20  2  0  0  0  0
 17 21  1  0  0  0  0
 17 22  1  0  0  0  0
 19 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
 23 26  1  0  0  0  0
 23 27  2  0  0  0  0
 24 28  1  0  0  0  0
 26 29  1  0  0  0  0
 28 30  1  0  0  0  0
 29 31  1  0  0  0  0
 11 14  1  0  0  0  0
 13 18  1  0  0  0  0
 16 20  1  0  0  0  0
 25 28  1  0  0  0  0
M  END
>  <Mol_ID> (2,622)
2622

>  <Formula> (2,622)
C24H30N4O3

>  <MolWeight> (2,622)
422.52

>  <COMPOUND_NAME> (2,622)
WAY-300422-A

>  <BAR_CODE_NO> (2,622)
3902478

$$$$
WAY-300440-A
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -3.3690   -0.4975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2276   -0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1138    0.4888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8517   -1.6043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2276    1.0888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1862   -0.7285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3931    1.4577    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2862    0.3508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0310   -1.7388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1448   -0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7552   -0.7768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9138   -0.7285    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4069   -0.8354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4241   -0.2319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4586   -0.8354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4241    0.9681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4897   -0.2319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4586    1.5681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4897    0.9681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5207    1.5681    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  6 10  1  0  0  0  0
  8 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
  5  7  1  0  0  0  0
  9 11  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (2,623)
2623

>  <Formula> (2,623)
C17H17FN2

>  <MolWeight> (2,623)
268.3286832

>  <COMPOUND_NAME> (2,623)
WAY-300440-A

>  <BAR_CODE_NO> (2,623)
3902503

$$$$
WAY-300442
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
    0.4034    0.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6034   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5379   -0.0552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4034    1.6759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7448    0.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5103   -1.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3448    0.9483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6759    2.0828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8207   -0.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5483   -2.2759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7379   -2.1724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5483    0.8103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7172   -1.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9897    0.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3552    1.8172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0897   -0.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7931   -2.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0276   -0.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5586    1.6759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8828    3.0172    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.3621   -0.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9379   -1.9414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1379   -0.0552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1034    0.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1724    1.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  9 13  2  0  0  0  0
  9 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  2  0  0  0  0
 15 20  1  0  0  0  0
 16 21  1  0  0  0  0
 17 22  2  0  0  0  0
 18 23  1  0  0  0  0
 19 24  1  0  0  0  0
 23 25  1  0  0  0  0
  7  8  2  0  0  0  0
 10 13  1  0  0  0  0
 18 22  1  0  0  0  0
 21 24  2  0  0  0  0
M  END
>  <Mol_ID> (2,624)
2624

>  <Formula> (2,624)
C18H11BrN2O4

>  <MolWeight> (2,624)
399.19494

>  <COMPOUND_NAME> (2,624)
WAY-300442

>  <BAR_CODE_NO> (2,624)
3902505

$$$$
WAY-300449
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.8100   -0.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0106   -0.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2928   -0.9448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1411    0.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5624    0.2483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4210   -1.0793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1135   -0.8552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9583    0.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3175   -0.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2279   -0.9103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4480   -0.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5997   -1.5241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2894    1.3207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0313    0.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2652   -2.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1100    1.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0348    1.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7486   -0.0931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7486    1.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4624    0.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4624    1.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (2,625)
2625

>  <Formula> (2,625)
C15H13N3O3

>  <MolWeight> (2,625)
283.28202

>  <COMPOUND_NAME> (2,625)
WAY-300449

>  <BAR_CODE_NO> (2,625)
3902513

$$$$
WAY-300452
csChFnd80/06171916322D

 29 31  0  0  0  0  0  0  0  0999 V2000
    0.5863    0.3777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2275    0.3604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0001   -0.3154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0001    1.0949    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6240   -0.3154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5863   -1.0258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8174    1.1087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2068   -1.0258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4343   -0.2948    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0001   -1.7465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2346    0.4156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2346    1.8259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8309    0.4156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8174   -1.7672    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6036   -2.4603    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0450    0.4156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8312   -0.2948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6447    0.4363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4171    1.1087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4415   -0.2775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2519   -0.9879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0412    1.1570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0654   -0.2568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0657   -0.9879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2553   -0.2775    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8585    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8757   -0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2723    0.4777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2723    1.9018    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  2  0  0  0  0
 11 16  2  0  0  0  0
 11 17  1  0  0  0  0
 13 18  1  0  0  0  0
 13 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 21  2  0  0  0  0
 18 22  2  0  0  0  0
 18 23  1  0  0  0  0
 20 24  2  0  0  0  0
 20 25  1  0  0  0  0
 22 26  1  0  0  0  0
 23 27  2  0  0  0  0
 26 28  2  0  0  0  0
 26 29  1  0  0  0  0
  6  8  2  0  0  0  0
 21 24  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (2,626)
2626

>  <Formula> (2,626)
C21H14F2N2O4

>  <MolWeight> (2,626)
396.3436664

>  <COMPOUND_NAME> (2,626)
WAY-300452

>  <BAR_CODE_NO> (2,626)
3902516

$$$$
WAY-300494
csChFnd80/06171916322D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -0.4690   -0.2793    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.1690    0.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0966    0.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4690   -1.0414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8138   -0.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1690    0.8379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1483    0.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7793   -0.1793    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1690   -1.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8138   -1.0414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4690    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8138    1.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4690    1.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8862    1.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2793    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1690   -2.1621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4517   -1.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4517    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0931    1.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  2  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
  9 16  2  0  0  0  0
 10 17  1  0  0  0  0
 12 18  1  0  0  0  0
 18 19  1  0  0  0  0
  9 10  1  0  0  0  0
 14 15  2  0  0  0  0
M  END
>  <Mol_ID> (2,627)
2627

>  <Formula> (2,627)
C13H16N2O3S

>  <MolWeight> (2,627)
280.34274

>  <COMPOUND_NAME> (2,627)
WAY-300494

>  <BAR_CODE_NO> (2,627)
3902575

$$$$
WAY-300498
csChFnd80/06171916322D

 29 33  0  0  0  0  0  0  0  0999 V2000
   -0.4897   -1.1172    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.1310   -0.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0310   -1.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2897   -1.3103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5034    0.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6793   -0.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2690   -2.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8379   -1.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9414   -0.7966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0414    1.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000    0.5517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1379    0.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0517   -1.1690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2517   -3.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3586   -2.2690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9483    0.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6621   -1.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7793    0.9897    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.0690   -3.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6690    0.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3690   -0.7966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2379    1.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3690    0.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0586    1.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8690    2.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5172    2.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3310    3.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1517    3.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6103    3.7310    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  2  0  0  0  0
  7 14  1  0  0  0  0
  8 15  2  0  0  0  0
  9 16  1  0  0  0  0
  9 17  2  0  0  0  0
 10 18  1  0  0  0  0
 14 19  2  0  0  0  0
 16 20  2  0  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
 20 23  1  0  0  0  0
 22 24  2  0  0  0  0
 22 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  2  0  0  0  0
 26 28  2  0  0  0  0
 28 29  1  0  0  0  0
 11 16  1  0  0  0  0
 12 18  1  0  0  0  0
 15 19  1  0  0  0  0
 21 23  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (2,628)
2628

>  <Formula> (2,628)
C24H20ClN3O

>  <MolWeight> (2,628)
401.8881

>  <COMPOUND_NAME> (2,628)
WAY-300498

>  <BAR_CODE_NO> (2,628)
3902580

$$$$
WAY-300506
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -2.0517   -0.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0517    0.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7000   -0.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4103   -0.5379    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7586    0.5862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6379    1.1759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7103   -1.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7586   -0.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0379    0.9966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3586   -1.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0724   -1.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1103   -0.5379    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6655    0.5759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3621   -2.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0724   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3862    0.9828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7207   -2.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0897    0.5621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3897    1.8069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7207   -3.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8034    0.9621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    0.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8034    1.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2103    0.9448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5172    2.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2241    1.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9414    2.1621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 17  2  0  0  0  0
 16 18  1  0  0  0  0
 16 19  2  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  2  0  0  0  0
 26 27  1  0  0  0  0
  5  8  1  0  0  0  0
 15 17  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (2,629)
2629

>  <Formula> (2,629)
C20H18N2O3S2

>  <MolWeight> (2,629)
398.49852

>  <COMPOUND_NAME> (2,629)
WAY-300506

>  <BAR_CODE_NO> (2,629)
3902591

$$$$
WAY-300507
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    1.5313    0.1790    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2521   -0.7418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0479    0.1790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7313    0.7540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2313   -0.7418    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9604    0.5915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7979    0.0165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8021   -1.5585    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6937    0.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7563    1.7915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9521   -0.5210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8688   -0.2085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5563    0.4707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4979   -0.1585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7813   -1.4960    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6687   -0.9585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3021   -0.1918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2063    0.1040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4812   -1.5418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7979    1.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3937   -1.1210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4062    0.2415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7062    1.8290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5187    1.2415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  2  0  0  0  0
  7  6  1  0  0  0  0
  8  2  2  0  0  0  0
  9  7  1  0  0  0  0
 10  4  2  0  0  0  0
 11 18  1  0  0  0  0
 12 11  2  0  0  0  0
 13  1  1  0  0  0  0
 14  9  2  0  0  0  0
 15 11  1  0  0  0  0
 16  7  2  0  0  0  0
 17 13  1  0  0  0  0
 18 17  1  0  0  0  0
 19 16  1  0  0  0  0
 20  9  1  0  0  0  0
 21 19  2  0  0  0  0
 22 14  1  0  0  0  0
 23 20  2  0  0  0  0
 24 23  1  0  0  0  0
  3  5  1  0  0  0  0
 14 21  1  0  0  0  0
 24 22  2  0  0  0  0
M  END
>  <Mol_ID> (2,630)
2630

>  <Formula> (2,630)
C18H15NO3S2

>  <MolWeight> (2,630)
357.4466

>  <COMPOUND_NAME> (2,630)
WAY-300507

>  <BAR_CODE_NO> (2,630)
3902593

$$$$
WAY-300508
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -0.4483   -0.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0138    0.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7862    0.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4862   -0.5310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2724   -0.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2138    0.5483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2862    0.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6483    0.7828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0069   -0.6966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6931    0.6483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6276    0.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0069    1.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0724   -1.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0931    0.3034    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8931    1.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4862    1.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3069   -1.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5517   -1.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5138    0.6034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3724    1.0690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6310    1.5483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8276    1.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2276   -1.9724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6310   -1.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9931    0.4483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2310   -2.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
 13 17  2  0  0  0  0
 13 18  1  0  0  0  0
 14 19  1  0  0  0  0
 15 20  1  0  0  0  0
 15 21  2  0  0  0  0
 16 22  1  0  0  0  0
 17 23  1  0  0  0  0
 18 24  2  0  0  0  0
 19 25  2  0  0  0  0
 23 26  2  0  0  0  0
  5  9  1  0  0  0  0
 12 16  2  0  0  0  0
 19 20  1  0  0  0  0
 24 26  1  0  0  0  0
M  END
>  <Mol_ID> (2,631)
2631

>  <Formula> (2,631)
C20H16N4OS

>  <MolWeight> (2,631)
360.43224

>  <COMPOUND_NAME> (2,631)
WAY-300508

>  <BAR_CODE_NO> (2,631)
3902594

$$$$
WAY-300509
csChFnd80/06171916322D

 28 30  0  0  0  0  0  0  0  0999 V2000
   -1.8655   -0.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8655    0.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5172   -0.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2172   -0.5966    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5655    0.5276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4448    1.1069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5172   -1.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5655   -0.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1448    0.9310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1724   -1.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8793   -1.7172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0828   -0.5966    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8586    0.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1793   -2.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8172   -1.3345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8793   -2.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5724    0.9207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5276   -2.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8069   -0.5828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2793    0.5034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5828    1.7448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9931    0.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6828    0.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9966    1.7172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3966    0.8793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7034    2.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4069    1.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1276    2.1034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  1  0  0  0  0
 17 20  1  0  0  0  0
 17 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  2  0  0  0  0
 27 28  1  0  0  0  0
  5  8  1  0  0  0  0
 16 18  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (2,632)
2632

>  <Formula> (2,632)
C20H18N2O4S2

>  <MolWeight> (2,632)
414.49792

>  <COMPOUND_NAME> (2,632)
WAY-300509

>  <BAR_CODE_NO> (2,632)
3902595

$$$$
WAY-300511
csChFnd80/06171916322D

 26 27  0  0  0  0  0  0  0  0999 V2000
   -0.8553    2.2587    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7127    0.3657    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2513    1.6437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9777    0.3657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5907   -0.2643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4153   -1.5633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9627    0.3837    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7963   -0.9213    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9807   -0.9243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7963   -2.2113    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6593    1.0227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2277    0.3657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7187    0.3837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4333   -0.2643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8587   -0.2823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8407    1.0227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4243    1.0317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3083    0.3837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7963    0.3957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6983   -0.2733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1027   -0.2823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0907    1.0227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1533   -0.2643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6593   -1.5633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2903   -0.9213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5253   -0.9093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  3  0  0  0  0
  3  1  3  0  0  0  0
  4 12  1  0  0  0  0
  5 23  1  0  0  0  0
  6  8  1  0  0  0  0
  7  5  1  0  0  0  0
  8 14  1  0  0  0  0
  9  5  2  0  0  0  0
 10  6  2  0  0  0  0
 11  3  1  0  0  0  0
 12 16  1  0  0  0  0
 13  7  1  0  0  0  0
 14 20  2  0  0  0  0
 15 21  1  0  0  0  0
 16 22  2  0  0  0  0
 17 11  1  0  0  0  0
 18 11  2  0  0  0  0
 17 19  2  0  0  0  0
 20 18  1  0  0  0  0
 13 21  2  0  0  0  0
 22 13  1  0  0  0  0
 23 26  1  0  0  0  0
 24  6  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 14 19  1  0  0  0  0
 15 12  2  0  0  0  0
M  END
>  <Mol_ID> (2,633)
2633

>  <Formula> (2,633)
C20H18N4O2

>  <MolWeight> (2,633)
346.38252

>  <COMPOUND_NAME> (2,633)
WAY-300511

>  <BAR_CODE_NO> (2,633)
3902597

$$$$
WAY-300518
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
    1.0860    2.3723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4032    1.9861    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7550    1.9861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0860    3.1516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2347    2.3723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4032    1.1861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4170    2.3723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7550    1.1861    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7550    3.5378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9140    1.9723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2347    0.8206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4170    3.1516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4170    0.8206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9140    1.1861    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6347    0.7827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6209   -0.0415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9002   -0.4622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9140   -1.2898    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2002   -0.0415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9140   -2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2140   -2.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5830   -2.5139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2002   -3.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6002   -3.2898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9002   -3.6898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8623   -4.5656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6519   -5.0898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
 10 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
  9 12  1  0  0  0  0
 11 14  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (2,634)
2634

>  <Formula> (2,634)
C21H27N3O3

>  <MolWeight> (2,634)
369.45738

>  <COMPOUND_NAME> (2,634)
WAY-300518

>  <BAR_CODE_NO> (2,634)
3902609

$$$$
WAY-300533
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -1.7828    0.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1276    0.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1655   -0.2069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1655    0.8276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8034   -0.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8034    0.8655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7655   -0.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7655    0.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1655   -0.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4828    1.4448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3276   -0.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3276    0.9448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1552    0.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1724   -0.8069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8828   -0.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8828    0.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8172    0.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8172   -0.8069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1345   -0.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1552    0.8655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7966   -0.2552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8552    1.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1172   -0.8069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7552   -0.8069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0966   -1.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0724   -0.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7345   -1.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7345   -0.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0552   -0.8069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  3  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  2  0  0  0  0
 11 15  2  0  0  0  0
 12 16  2  0  0  0  0
 13 17  2  0  0  0  0
 14 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  2  0  0  0  0
 27 29  2  0  0  0  0
  7  8  2  0  0  0  0
 15 16  1  0  0  0  0
 18 19  2  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (2,635)
2635

>  <Formula> (2,635)
C24H19N3O2

>  <MolWeight> (2,635)
381.42656

>  <COMPOUND_NAME> (2,635)
WAY-300533

>  <BAR_CODE_NO> (2,635)
3902630

$$$$
WAY-300538
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
    0.9724    1.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7724    1.2759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2931    1.0241    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7034    2.3241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9621    0.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4034    1.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3862    1.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1172    2.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7724    0.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2241    1.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2172    1.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6069    3.0448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4034    0.7552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4862    0.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3172    0.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9276   -0.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5862   -0.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1862   -0.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0276   -1.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3069   -1.8759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7483   -2.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9276   -2.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6483   -1.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3862   -3.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1724   -1.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4517   -2.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7345   -2.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  2  0  0  0  0
  9 13  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  2  0  0  0  0
  7  8  1  0  0  0  0
 10 13  1  0  0  0  0
 18 19  2  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (2,636)
2636

>  <Formula> (2,636)
C21H20N2O3S

>  <MolWeight> (2,636)
380.4601

>  <COMPOUND_NAME> (2,636)
WAY-300538

>  <BAR_CODE_NO> (2,636)
3902635

$$$$
WAY-300541
csChFnd80/06171916322D

 35 40  0  0  0  0  0  0  0  0999 V2000
   -0.4724    0.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3517    0.0069    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.1138    0.6241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8345    0.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4966    0.8069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0655   -0.0172    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.4724   -0.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1862    0.3621    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.1138    0.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8966   -0.1931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8966    0.8828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1966    1.0828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1862   -0.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1138   -0.6379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8724   -0.5379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5862    0.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5138    0.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1138    1.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5862   -0.5759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0724   -1.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6483    0.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9034    0.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7345    0.8828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5138    1.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3034   -1.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0483    1.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3276    1.1828    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.3034    0.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3483   -1.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6483   -0.9759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3655    0.8069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7276   -1.8172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0276   -1.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0655   -1.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4862   -1.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  2  0  0  0  0
  8 16  1  0  0  0  0
  9 17  1  0  0  0  0
 11 18  1  0  0  0  0
 13 19  2  0  0  0  0
 14 20  1  0  0  0  0
 16 21  1  0  0  0  0
 16 22  2  0  0  0  0
 17 23  2  0  0  0  0
 18 24  2  0  0  0  0
 20 25  1  0  0  0  0
 21 26  2  0  0  0  0
 21 27  1  0  0  0  0
 22 28  1  0  0  0  0
 25 29  1  0  0  0  0
 25 30  2  0  0  0  0
 26 31  1  0  0  0  0
 29 32  2  0  0  0  0
 30 33  1  0  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
  6  8  1  0  0  0  0
  9 11  2  0  0  0  0
 13 14  1  0  0  0  0
 23 24  1  0  0  0  0
 28 31  2  0  0  0  0
 33 34  2  0  0  0  0
M  END
>  <Mol_ID> (2,637)
2637

>  <Formula> (2,637)
C28H20ClNO5

>  <MolWeight> (2,637)
485.9151

>  <COMPOUND_NAME> (2,637)
WAY-300541

>  <BAR_CODE_NO> (2,637)
3902641

$$$$
WAY-300554
csChFnd80/06171916322D

 32 35  0  0  0  0  0  0  0  0999 V2000
    1.3310    0.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4414    0.1828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414   -0.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8655    0.9172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0862    0.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0483   -0.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7138   -0.2448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5310   -1.3586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7000    0.6034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6517    1.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9000    0.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1172    1.7414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9000   -0.2586    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2621   -1.3586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4172   -0.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4138    1.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6379    1.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3655   -1.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2172   -0.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4207    0.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1000   -2.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9517   -0.8655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1586    1.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5000   -0.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8931   -1.7448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9690    0.8552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3000   -0.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0379   -0.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6828    1.3552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8207   -0.4172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4690    0.9897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8828   -1.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
  6 13  1  0  0  0  0
  6 14  2  0  0  0  0
  7 15  1  0  0  0  0
  9 16  1  0  0  0  0
 11 17  2  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  2  0  0  0  0
 20 23  2  0  0  0  0
 20 24  1  0  0  0  0
 21 25  2  0  0  0  0
 23 26  1  0  0  0  0
 24 27  2  0  0  0  0
 26 28  2  0  0  0  0
 26 29  1  0  0  0  0
 28 30  1  0  0  0  0
 29 31  1  0  0  0  0
 30 32  1  0  0  0  0
  7  9  1  0  0  0  0
 11 13  1  0  0  0  0
 22 25  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (2,638)
2638

>  <Formula> (2,638)
C23H21N3O5S

>  <MolWeight> (2,638)
451.49494

>  <COMPOUND_NAME> (2,638)
WAY-300554

>  <BAR_CODE_NO> (2,638)
3902658

$$$$
WAY-300558
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -0.6859   -0.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5652   -0.3034    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2141   -0.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6859   -1.8655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4445    0.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0963   -1.1655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0445    0.5655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0934   -0.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2141   -2.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4445    1.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3273   -0.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9727   -0.3448    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0934   -1.8655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3273    1.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2066    0.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8831    0.1552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4934   -1.2448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4831    0.5241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2066    1.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7658   -0.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8831    1.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1169    1.7655    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.6451    0.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7658    1.6759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6451    1.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12 16  1  0  0  0  0
 12 17  2  0  0  0  0
 12 18  2  0  0  0  0
 14 19  2  0  0  0  0
 16 20  1  0  0  0  0
 16 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 23 25  1  0  0  0  0
  9 13  2  0  0  0  0
 15 19  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (2,639)
2639

>  <Formula> (2,639)
C17H18BrNO4S2

>  <MolWeight> (2,639)
444.36312

>  <COMPOUND_NAME> (2,639)
WAY-300558

>  <BAR_CODE_NO> (2,639)
3902664

$$$$
WAY-300576
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -0.5586    0.3483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5586   -0.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2207    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3379    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3379   -1.0103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2414   -1.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0034    0.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2207    1.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1172    0.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3379    1.7069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1172   -0.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0414   -0.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7828    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0034    2.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8966    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8966   -1.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8310   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7828    1.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5828    0.3276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6793    0.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6793   -0.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6621   -0.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9621   -1.9207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2931   -1.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8931   -2.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 13 18  1  0  0  0  0
 13 19  1  0  0  0  0
 15 20  2  0  0  0  0
 16 21  2  0  0  0  0
 17 22  2  0  0  0  0
 17 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
  9 11  2  0  0  0  0
 14 18  2  0  0  0  0
 20 21  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (2,640)
2640

>  <Formula> (2,640)
C20H14N2O3

>  <MolWeight> (2,640)
330.33676

>  <COMPOUND_NAME> (2,640)
WAY-300576

>  <BAR_CODE_NO> (2,640)
3902686

$$$$
WAY-300589
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -2.1207   -0.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2828   -0.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1207   -1.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8828    0.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7828   -0.7828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0034    0.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2828   -1.4828    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8828   -1.6621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6414   -1.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0966   -0.7828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1207    0.9655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5828    1.4655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5345   -1.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1172    1.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4103   -1.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0966   -2.2966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9966    2.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4655    2.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8483   -0.7828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8483   -2.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2345    2.8276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6172    1.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2207    3.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7345   -0.7828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2862    0.0690    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7310   -2.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6345    3.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1793   -1.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 14 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  1  0  0  0  0
 15 20  2  0  0  0  0
 17 21  2  0  0  0  0
 17 22  1  0  0  0  0
 18 23  1  0  0  0  0
 19 24  2  0  0  0  0
 19 25  1  0  0  0  0
 20 26  1  0  0  0  0
 21 27  1  0  0  0  0
 24 28  1  0  0  0  0
  5  7  1  0  0  0  0
  8  9  1  0  0  0  0
 23 27  2  0  0  0  0
 26 28  2  0  0  0  0
M  END
>  <Mol_ID> (2,641)
2641

>  <Formula> (2,641)
C22H19ClN2O2S

>  <MolWeight> (2,641)
410.91646

>  <COMPOUND_NAME> (2,641)
WAY-300589

>  <BAR_CODE_NO> (2,641)
3902706

$$$$
WAY-300593
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    2.7414    0.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9414   -0.3483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1414    1.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9414    0.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8621    0.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1793   -1.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9793    1.3310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7414    2.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5414    1.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1966   -0.4483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3034   -1.9310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9414    2.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2586    0.1690    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.2966   -0.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2586    1.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2966   -1.6483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3207    0.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3207   -2.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2379   -2.2690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3586   -0.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3586   -1.6483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4207    0.1690    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  8 12  2  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  2  0  0  0  0
 18 21  2  0  0  0  0
 20 22  1  0  0  0  0
  5  7  2  0  0  0  0
  9 12  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (2,642)
2642

>  <Formula> (2,642)
C17H18ClN3O

>  <MolWeight> (2,642)
315.79732

>  <COMPOUND_NAME> (2,642)
WAY-300593

>  <BAR_CODE_NO> (2,642)
3902711

$$$$
WAY-300630
csChFnd80/06171916322D

 22 23  0  0  0  0  0  0  0  0999 V2000
    1.2690    1.1973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1276    1.1973    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.8345    2.1836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8345    0.2111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0207    1.1973    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1276    0.0560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1276    2.3387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9759    2.1836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9759    0.2111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5793    0.2111    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5517    1.1973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7276    0.2111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6931    1.1973    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2862   -0.7578    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2862    1.1973    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2586    2.1836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7276   -1.7233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5965   -1.7164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2759   -2.7096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0138   -2.6820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7103   -3.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5517   -3.6889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
  9 11  2  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (2,643)
2643

>  <Formula> (2,643)
C14H15N3O4S

>  <MolWeight> (2,643)
321.3516

>  <COMPOUND_NAME> (2,643)
WAY-300630

>  <BAR_CODE_NO> (2,643)
3902764

$$$$
WAY-300644
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -1.0133    0.0013    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5633    0.6013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0367   -0.7612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1742    0.5305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7008   -0.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4825   -0.1570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0133    1.2138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7258    0.2305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7258    0.9763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3450   -1.4445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6117    1.1305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0492    1.7305    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6492   -2.1237    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2242   -0.2362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1383   -1.2862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6742    0.3680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5367   -0.9237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7200   -0.3945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4117    0.2888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2825   -0.9987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3758   -0.1445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4617   -0.4737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3758    1.3513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0133    0.2305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0133    0.9763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  5  2  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  2  2  0  0  0  0
  8  1  1  0  0  0  0
  9  8  2  0  0  0  0
 10  3  1  0  0  0  0
 11  4  1  0  0  0  0
 12 11  3  0  0  0  0
 13 10  3  0  0  0  0
 14  6  1  0  0  0  0
 15  5  1  0  0  0  0
 16 14  1  0  0  0  0
 17 14  2  0  0  0  0
 18 20  2  0  0  0  0
 19 16  2  0  0  0  0
 20 17  1  0  0  0  0
 21  8  1  0  0  0  0
 22 18  1  0  0  0  0
 23  9  1  0  0  0  0
 24 21  2  0  0  0  0
 25 24  1  0  0  0  0
  7  9  1  0  0  0  0
  6  4  2  0  0  0  0
 25 23  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (2,644)
2644

>  <Formula> (2,644)
C19H11N5O

>  <MolWeight> (2,644)
325.32354

>  <COMPOUND_NAME> (2,644)
WAY-300644

>  <BAR_CODE_NO> (2,644)
3902782

$$$$
WAY-300674
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    2.3241    0.0279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5931   -0.3514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1793    0.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0931   -0.2514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0034    0.2279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4793   -1.1721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3655    0.9624    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8138    1.3658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7310    0.2762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1862    0.1141    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7172   -1.4756    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1310   -1.6825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5793    1.0865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3241    0.7555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1448    0.6382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0207    1.5244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4448   -0.1238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2690   -0.2445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7828    0.4037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5759   -1.0135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5966    0.2865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3966   -1.1238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9069   -0.4756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7345   -0.5963    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
  8 13  1  0  0  0  0
 10 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
 23 24  1  0  0  0  0
  5  7  1  0  0  0  0
  9 13  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (2,645)
2645

>  <Formula> (2,645)
C17H17ClN2O3S

>  <MolWeight> (2,645)
364.84648

>  <COMPOUND_NAME> (2,645)
WAY-300674

>  <BAR_CODE_NO> (2,645)
3902821

$$$$
WAY-300681
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -0.2830    1.3209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1955    0.4959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6087    0.3417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9955    1.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4670    1.6584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0212    1.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7163    1.3292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9587   -2.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9462   -0.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9913    2.5667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6212   -1.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4712   -3.3416    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4587   -1.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7587   -0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1045   -1.2541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7962   -1.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1330    0.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8038   -0.0541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7712   -2.7583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8420    1.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7163    0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4288    1.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4288    0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1330    1.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  2  0  0  0  0
  7  4  1  0  0  0  0
  8 11  1  0  0  0  0
  9  3  1  0  0  0  0
 10  4  2  0  0  0  0
 11 15  1  0  0  0  0
 12  8  2  0  0  0  0
 13  9  2  0  0  0  0
 14  9  1  0  0  0  0
 15 14  2  0  0  0  0
 16 13  1  0  0  0  0
 17 24  1  0  0  0  0
 18  2  1  0  0  0  0
 19  8  1  0  0  0  0
 20  6  1  0  0  0  0
 21  7  1  0  0  0  0
 22  7  1  0  0  0  0
 23 21  1  0  0  0  0
 24 22  1  0  0  0  0
  3  6  1  0  0  0  0
 23 17  1  0  0  0  0
 11 16  2  0  0  0  0
M  END
>  <Mol_ID> (2,646)
2646

>  <Formula> (2,646)
C18H20N2O3S

>  <MolWeight> (2,646)
344.428

>  <COMPOUND_NAME> (2,646)
WAY-300681

>  <BAR_CODE_NO> (2,646)
3902829

$$$$
WAY-300731
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -0.4966    0.1591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7414   -0.5409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7448   -0.5409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7310    0.8695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7172    0.8695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9793    0.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7448   -1.9650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9655    0.1729    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7310    2.2936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7172    2.2936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2172   -0.5202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9966   -2.6823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2069   -0.5202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4931    3.0177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2310   -1.9443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4414    0.2074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3966    0.2177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2207   -1.9305    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4552   -2.6581    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4414    1.6212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6207   -0.4443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3586    1.6177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4552   -4.0823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8207    0.2695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5414    2.3419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7897    1.6798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 11 15  2  0  0  0  0
 11 16  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  2  0  0  0  0
 17 22  1  0  0  0  0
 19 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  2  0  0  0  0
 24 26  2  0  0  0  0
 10 14  1  0  0  0  0
 12 15  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (2,647)
2647

>  <Formula> (2,647)
C22H27NO3

>  <MolWeight> (2,647)
353.45468

>  <COMPOUND_NAME> (2,647)
WAY-300731

>  <BAR_CODE_NO> (2,647)
3902906

$$$$
WAY-300784
csChFnd80/06171916322D

 31 33  0  0  0  0  0  0  0  0999 V2000
   -2.5483    1.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3862    1.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1414    2.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1345    0.5828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7966    2.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5517    2.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3103    0.5828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5483   -0.1345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3759    2.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6241    2.0207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8966   -0.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7862    3.4517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0345    1.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0724   -0.1345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3103   -0.8483    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3724    4.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7517   -0.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1586   -0.8552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1655    0.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9862   -0.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9897    0.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3897   -1.5724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4034   -0.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2138   -1.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6276   -2.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6345   -0.8724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2103   -3.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4517   -2.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6138   -3.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8586   -3.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4379   -3.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12 16  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 20 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  1  0  0  0  0
 25 28  2  0  0  0  0
 27 29  2  0  0  0  0
 28 30  1  0  0  0  0
 29 31  1  0  0  0  0
  6  9  2  0  0  0  0
 21 23  1  0  0  0  0
 30 31  2  0  0  0  0
M  END
>  <Mol_ID> (2,648)
2648

>  <Formula> (2,648)
C23H21N3O4S

>  <MolWeight> (2,648)
435.49554

>  <COMPOUND_NAME> (2,648)
WAY-300784

>  <BAR_CODE_NO> (2,648)
3902972

$$$$
WAY-300821
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
    2.2723    3.1619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2326    2.0151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6711    2.5295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1169    4.6839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3055    2.1758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9936    0.6753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5156    0.9915    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9144    3.4192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3549    5.5843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2112    0.9271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7590    4.9519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7449   -0.5413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7600    0.9325    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9936   -1.4416    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7235   -1.0290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2370   -0.5306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0043   -2.9904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7161   -1.0022    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3441   -3.7622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3495   -5.3003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6786   -2.9851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  8 11  2  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
  6  7  1  0  0  0  0
  9 11  1  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <Mol_ID> (2,649)
2649

>  <Formula> (2,649)
C14H10N2O3S2

>  <MolWeight> (2,649)
318.3708

>  <COMPOUND_NAME> (2,649)
WAY-300821

>  <BAR_CODE_NO> (2,649)
3903028

$$$$
WAY-301281
csChFnd80/06171916322D

 30 34  0  0  0  0  0  0  0  0999 V2000
   -0.3690    1.1414    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.2828    0.7655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0517    0.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4517    1.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2828    0.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9241    1.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5517    1.3931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2069    0.1034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1828    2.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9310   -0.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5724    0.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3034    1.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4897    2.7276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5724    0.0207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7379    1.9207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6034    0.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2241   -0.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4897    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3517    0.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2310   -1.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7897    1.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8724   -1.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5828   -1.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5379    1.0759    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.8828   -2.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5828   -2.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2310   -2.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4345   -2.7310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3862   -3.3345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1310   -3.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  9 13  2  0  0  0  0
 10 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
 23 26  2  0  0  0  0
 25 27  2  0  0  0  0
 25 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
  7  9  1  0  0  0  0
 11 14  1  0  0  0  0
 19 21  2  0  0  0  0
 26 27  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (2,650)
2650

>  <Formula> (2,650)
C22H22BrN3O4

>  <MolWeight> (2,650)
472.33178

>  <COMPOUND_NAME> (2,650)
WAY-301281

>  <BAR_CODE_NO> (2,650)
3903669

$$$$
WAY-301282
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -3.4379   -0.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4379   -1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4897    0.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4862    0.1207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4897   -1.8379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4862   -1.6276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5552   -0.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1000   -0.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5552   -1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6138    0.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3448   -0.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2862    0.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2103   -0.2172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2862    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1448    0.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0862   -0.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1448    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0241    0.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0862    1.9448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0241    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (2,651)
2651

>  <Formula> (2,651)
C16H19NO3

>  <MolWeight> (2,651)
273.32696

>  <COMPOUND_NAME> (2,651)
WAY-301282

>  <BAR_CODE_NO> (2,651)
3903670

$$$$
WAY-301345
csChFnd80/06171916322D

 32 35  0  0  0  0  0  0  0  0999 V2000
   -0.0458    0.9125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3792    1.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792    2.0500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1625   -0.8042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000   -1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8625   -1.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458    0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2792    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6000   -0.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458    2.3708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.6792   -1.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792   -0.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7167    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2375   -0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5542   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7000   -1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1625   -2.0500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0375   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3208    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6167    0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917   -1.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -1.9292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7208   -2.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1625    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8458   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4208   -1.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792   -1.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9167   -1.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4208   -2.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2833   -2.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  7  1  0  0  0  0
  7 11  1  0  0  0  0
  8  6  1  0  0  0  0
  9  1  1  0  0  0  0
 10  4  2  0  0  0  0
 11  9  1  0  0  0  0
 12  2  2  0  0  0  0
 13 16  1  0  0  0  0
 14  3  2  0  0  0  0
 15 10  1  0  0  0  0
 16 15  2  0  0  0  0
 17 20  1  0  0  0  0
 18  8  1  0  0  0  0
 19  7  2  0  0  0  0
 20 22  2  0  0  0  0
 21  6  1  0  0  0  0
 22 15  1  0  0  0  0
 23 13  1  0  0  0  0
 24 17  1  0  0  0  0
 25  8  2  0  0  0  0
 26 21  1  0  0  0  0
 27 26  1  0  0  0  0
 28 18  2  0  0  0  0
 29 23  1  0  0  0  0
 30 24  1  0  0  0  0
 31 25  1  0  0  0  0
 32 31  2  0  0  0  0
  4  5  1  0  0  0  0
 27 18  1  0  0  0  0
 17 13  2  0  0  0  0
 32 28  1  0  0  0  0
M  END
>  <Mol_ID> (2,652)
2652

>  <Formula> (2,652)
C24H24N2O4S2

>  <MolWeight> (2,652)
468.58836

>  <COMPOUND_NAME> (2,652)
WAY-301345

>  <BAR_CODE_NO> (2,652)
3903753

$$$$
WAY-301436
csChFnd80/06171916322D

 29 31  0  0  0  0  0  0  0  0999 V2000
   -2.2931   -0.0862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6724    0.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2931   -0.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9931    0.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0241    1.2207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8724    0.3310    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0138   -1.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5828   -1.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8241    1.1310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7621    0.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3621    0.9621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0138   -2.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5828   -2.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4655    0.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2931   -2.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9966    1.4414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7483    0.0414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2931   -3.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7966    1.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0655    0.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3483    1.9207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8862    0.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1379    1.7724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1069    2.7034    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4379    0.9828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1586   -0.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4172   -1.1690    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.9276   -0.1379    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3862   -0.6793    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  2  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
 22 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
  5  9  1  0  0  0  0
 13 15  1  0  0  0  0
 23 25  2  0  0  0  0
M  END
>  <Mol_ID> (2,653)
2653

>  <Formula> (2,653)
C19H16ClF3N4OS

>  <MolWeight> (2,653)
440.8697496

>  <COMPOUND_NAME> (2,653)
WAY-301436

>  <BAR_CODE_NO> (2,653)
3903864

$$$$
WAY-301439
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
   -2.0483   -0.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3069   -0.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5793    0.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2793   -1.0897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8690    0.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0793   -1.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3793    0.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2966   -0.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6690   -1.5276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1172    0.1862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2172    0.9103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3552   -1.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8966    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8483    1.0379    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.8172    0.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6069   -0.6276    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.3034    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2138   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6310    1.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0517    0.7517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9655   -0.5483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3828    0.0724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1207    0.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5448    0.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4517   -0.6483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2828    0.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2034   -0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6207   -0.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3690   -0.1276    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.7931    0.4897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7034   -0.8000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  2  0  0  0  0
  8 16  1  0  0  0  0
 10 17  1  0  0  0  0
 10 18  1  0  0  0  0
 13 19  2  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  2  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
  6  9  1  0  0  0  0
 15 19  1  0  0  0  0
 21 22  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <Mol_ID> (2,654)
2654

>  <Formula> (2,654)
C21H18Cl2N4O4

>  <MolWeight> (2,654)
461.29802

>  <COMPOUND_NAME> (2,654)
WAY-301439

>  <BAR_CODE_NO> (2,654)
3903868

$$$$
WAY-301444
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    0.8207    0.6138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8138   -0.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5345    1.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1034    1.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000   -0.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2448   -0.2241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2517    0.6034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5276    1.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1034    1.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0966   -1.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6138   -0.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8138    2.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6138    2.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6172   -1.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3276   -0.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7483    3.1138    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4172    1.9552    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2655    2.6414    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3345   -1.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6172   -2.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6207   -3.4414    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2862   -3.2276    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0517   -3.2276    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  8 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  2  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  0  0  0  0
 14 19  1  0  0  0  0
 14 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
  6  7  1  0  0  0  0
  9 12  1  0  0  0  0
 15 19  2  0  0  0  0
M  END
>  <Mol_ID> (2,655)
2655

>  <Formula> (2,655)
C14H7F6N3

>  <MolWeight> (2,655)
331.2158992

>  <COMPOUND_NAME> (2,655)
WAY-301444

>  <BAR_CODE_NO> (2,655)
3903874

$$$$
WAY-301449
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -1.9083    0.5597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083   -0.1438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5255    0.9045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2497    0.8838    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5255   -0.5127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1393    0.5597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6773    0.4838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1393   -0.1438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5255   -1.2334    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0600    0.8321    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6773   -0.2748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7704   -0.4921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1083   -1.5886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5676    0.4631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3600   -0.1369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5676   -0.2403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2020    0.8010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1779   -0.6334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8227    0.4424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8227   -0.2852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4331   -0.6438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0469   -0.2886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0469    0.4010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6710   -0.6334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6607    0.7631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2779   -0.2852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2779    0.4424    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
  6  8  2  0  0  0  0
 19 20  2  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <Mol_ID> (2,656)
2656

>  <Formula> (2,656)
C21H21N3O3

>  <MolWeight> (2,656)
363.40974

>  <COMPOUND_NAME> (2,656)
WAY-301449

>  <BAR_CODE_NO> (2,656)
3903879

$$$$
WAY-301461
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    0.5388    0.2023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5388    1.0885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2905   -0.2494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2199   -0.2494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2905    1.5196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2199    1.5196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2905   -1.1253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0732    0.2230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2199   -1.1253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2905    2.4092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2199    2.4092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5388   -1.5632    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0732   -1.5977    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8422    0.6954    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9923   -1.5632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5388    2.8403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9923   -2.4459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7509   -1.1253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5388    3.7368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7509   -2.8942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5026   -1.5632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2199    4.1644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5026   -2.4459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2543   -2.8597    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  3  0  0  0  0
  9 15  1  0  0  0  0
 10 16  2  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  2  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
  9 12  2  0  0  0  0
 11 16  1  0  0  0  0
 21 23  2  0  0  0  0
M  END
>  <Mol_ID> (2,657)
2657

>  <Formula> (2,657)
C19H14ClN3O

>  <MolWeight> (2,657)
335.78696

>  <COMPOUND_NAME> (2,657)
WAY-301461

>  <BAR_CODE_NO> (2,657)
3903894

$$$$
WAY-301464
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.6698    0.6678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6008    0.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6698    1.7644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2613    0.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6008   -0.9356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5387    0.6920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2613    2.3058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6008    2.3058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2613   -0.9356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6698   -1.4667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5387   -1.4667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4698    1.2575    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2613    3.3713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6008    3.3713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1750   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6698    3.9092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1130   -0.9356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1750   -2.5425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0268   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1130   -3.0805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0268   -2.5425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9544   -3.0805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  3  0  0  0  0
  7 13  1  0  0  0  0
  8 14  2  0  0  0  0
  9 15  1  0  0  0  0
 13 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 21 22  1  0  0  0  0
  9 10  2  0  0  0  0
 14 16  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (2,658)
2658

>  <Formula> (2,658)
C18H13N3O

>  <MolWeight> (2,658)
287.31532

>  <COMPOUND_NAME> (2,658)
WAY-301464

>  <BAR_CODE_NO> (2,658)
3903897

$$$$
WAY-301471
csChFnd80/06171916322D

 31 33  0  0  0  0  0  0  0  0999 V2000
   -0.7621    0.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1138    0.1379    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5138    1.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5621    0.3586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5759    0.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3138    1.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0034    2.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1655    0.9345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7483   -0.4414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3517    0.3586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000    2.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9586    0.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5241   -0.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2862    2.7345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5552    1.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1448   -0.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3138   -0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9138   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3448    1.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3621    2.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9345   -0.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4828   -1.5034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5379    0.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9448    1.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2655   -1.7483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4414   -2.5483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8621   -1.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2207   -2.7931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8345   -3.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6448   -1.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8241   -2.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  3  0  0  0  0
 12 15  2  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  2  0  0  0  0
 15 19  1  0  0  0  0
 15 20  1  0  0  0  0
 16 21  2  0  0  0  0
 17 22  1  0  0  0  0
 19 23  2  0  0  0  0
 19 24  1  0  0  0  0
 22 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
 27 30  2  0  0  0  0
 28 31  2  0  0  0  0
  5  6  2  0  0  0  0
 21 23  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (2,659)
2659

>  <Formula> (2,659)
C24H23N3O3S

>  <MolWeight> (2,659)
433.52272

>  <COMPOUND_NAME> (2,659)
WAY-301471

>  <BAR_CODE_NO> (2,659)
3903904

$$$$
WAY-301472
csChFnd80/06171916322D

 30 32  0  0  0  0  0  0  0  0999 V2000
   -0.6690    0.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0172    0.0345    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4172    1.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4690    0.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6690    0.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4069    1.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9103    1.9690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0724    0.8310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6552   -0.5448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4448    0.2552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8931    1.9690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8655    0.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6207   -0.5483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3828    2.6310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4586    1.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0517   -0.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4069   -0.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0069   -1.1034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2517    0.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2690    1.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8379   -0.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5793   -1.6069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4414    0.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8517    1.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3621   -1.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5345   -2.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9586   -1.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3138   -2.8966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7414   -1.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9207   -2.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  3  0  0  0  0
 12 15  2  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  2  0  0  0  0
 15 19  1  0  0  0  0
 15 20  1  0  0  0  0
 16 21  2  0  0  0  0
 17 22  1  0  0  0  0
 19 23  2  0  0  0  0
 19 24  1  0  0  0  0
 22 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  2  0  0  0  0
 28 30  2  0  0  0  0
  5  6  2  0  0  0  0
 21 23  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (2,660)
2660

>  <Formula> (2,660)
C23H21N3O3S

>  <MolWeight> (2,660)
419.49614

>  <COMPOUND_NAME> (2,660)
WAY-301472

>  <BAR_CODE_NO> (2,660)
3903905

$$$$
WAY-301476
csChFnd80/06171916322D

 29 31  0  0  0  0  0  0  0  0999 V2000
   -0.9690    1.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3069    0.5379    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7172    1.8103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7690    0.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3690    1.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1069    1.8103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2172    2.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9448   -0.0517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3828    1.3103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1448    0.7621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5931    2.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7310   -0.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3172   -0.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0828    3.1379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8828   -1.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3172    0.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1069   -0.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7172   -0.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6828   -1.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2586   -1.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1310   -0.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690   -1.1241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2931   -0.8241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0448   -1.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000   -2.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6552   -0.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9759   -2.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4276   -1.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5931   -1.9138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  3  0  0  0  0
 12 15  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  1  0  0  0  0
 13 18  2  0  0  0  0
 15 19  2  0  0  0  0
 15 20  1  0  0  0  0
 16 21  1  0  0  0  0
 17 22  1  0  0  0  0
 19 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  2  0  0  0  0
 27 29  2  0  0  0  0
  5  6  2  0  0  0  0
 21 23  2  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (2,661)
2661

>  <Formula> (2,661)
C22H19N3O3S

>  <MolWeight> (2,661)
405.46956

>  <COMPOUND_NAME> (2,661)
WAY-301476

>  <BAR_CODE_NO> (2,661)
3903909

$$$$
WAY-301486
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
    0.5552    0.3379    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2690   -0.0690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5552    1.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1586   -0.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2690   -0.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9793    0.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9793    1.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0241    1.7517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1517   -0.8966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8690    0.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5517   -1.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9793   -1.3034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6966   -0.0759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6931    1.5793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8241    1.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1897    2.5448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8621   -1.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5828   -0.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5517   -2.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9828   -2.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0310    0.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4034    2.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5828   -0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2690   -2.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8276    0.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2034    1.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2897   -1.3138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4172    1.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2897   -2.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  6 13  2  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  2  0  0  0  0
  9 17  2  0  0  0  0
 10 18  1  0  0  0  0
 11 19  1  0  0  0  0
 12 20  2  0  0  0  0
 15 21  1  0  0  0  0
 15 22  2  0  0  0  0
 17 23  1  0  0  0  0
 19 24  2  0  0  0  0
 21 25  2  0  0  0  0
 22 26  1  0  0  0  0
 23 27  1  0  0  0  0
 25 28  1  0  0  0  0
 27 29  1  0  0  0  0
  6  7  1  0  0  0  0
 18 23  2  0  0  0  0
 20 24  1  0  0  0  0
 26 28  2  0  0  0  0
M  END
>  <Mol_ID> (2,662)
2662

>  <Formula> (2,662)
C23H18N2O4

>  <MolWeight> (2,662)
386.40002

>  <COMPOUND_NAME> (2,662)
WAY-301486

>  <BAR_CODE_NO> (2,662)
3903921

$$$$
WAY-301497
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.1250    0.9272    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8336    1.2444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4388   -0.0349    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7043    1.7651    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8336    2.2651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7336    0.7272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7423   -0.9935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3940    0.2755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5232   -0.3452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1250    2.5651    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7336    2.7651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6129    1.2444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7388   -1.2107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0871   -1.7556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6129    2.2651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0423   -2.1728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4043   -2.7107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3871   -2.9349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6940   -3.8866    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  3  9  2  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  7 14  2  0  0  0  0
 11 15  2  0  0  0  0
 13 16  2  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
  5 10  1  0  0  0  0
 12 15  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (2,663)
2663

>  <Formula> (2,663)
C12H8BrN3O2S

>  <MolWeight> (2,663)
338.17982

>  <COMPOUND_NAME> (2,663)
WAY-301497

>  <BAR_CODE_NO> (2,663)
3903936

$$$$
WAY-301499
csChFnd80/06171916322D

 29 31  0  0  0  0  0  0  0  0999 V2000
   -0.4292   -1.8245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0878   -1.4452    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4292   -2.5659    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2156   -1.4452    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0878   -0.7038    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2156   -2.9452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8742   -1.8348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0878    0.0617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3223   -0.7038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8292   -0.7038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8742   -2.5555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2156   -3.6762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5294   -1.4900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7327    0.4272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4292    0.4272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7327    1.1824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4292    1.1721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0878    1.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0878    2.3031    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4292    2.6790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2156    2.3135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4292    3.4238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2260    1.5583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8949    1.1721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5397    1.5479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8949    0.4272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1984    1.1617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5397    0.0514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1984    0.4272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  2  0  0  0  0
  8 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  2  0  0  0  0
 27 29  2  0  0  0  0
  7 11  1  0  0  0  0
 17 18  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (2,664)
2664

>  <Formula> (2,664)
C20H20N4O4S

>  <MolWeight> (2,664)
412.4622

>  <COMPOUND_NAME> (2,664)
WAY-301499

>  <BAR_CODE_NO> (2,664)
3903941

$$$$
WAY-301501
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -0.9483    0.4517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4897    0.7517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9483   -0.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4276    0.7517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0241    0.6207    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6897    1.2828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4621   -0.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4241   -0.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2483    1.2828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2241    0.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4724   -0.9310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4241   -0.9103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7897   -0.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9621   -1.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9034   -0.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1759    0.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4276   -0.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7241    0.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8517   -0.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3759   -0.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 19 20  1  0  0  0  0
  6  9  1  0  0  0  0
 12 14  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (2,665)
2665

>  <Formula> (2,665)
C15H14N4S

>  <MolWeight> (2,665)
282.36346

>  <COMPOUND_NAME> (2,665)
WAY-301501

>  <BAR_CODE_NO> (2,665)
3903943

$$$$
WAY-301502
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -0.8207   -0.3586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7448   -1.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1345   -0.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4345    0.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0138   -1.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3069   -1.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3655   -0.6103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0586    0.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3586    0.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0241   -1.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1172   -0.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6621    1.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2586   -0.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6345   -1.8207    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4241    0.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0138   -0.6621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8207   -0.0483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2448   -1.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1759    0.2241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9586   -1.6103    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4793    0.9138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2310    0.9897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0414    1.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5379    1.6759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6655    0.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3414    2.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1000    2.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  2  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 23 26  2  0  0  0  0
 24 27  2  0  0  0  0
  5  7  1  0  0  0  0
  9 12  1  0  0  0  0
 16 18  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (2,666)
2666

>  <Formula> (2,666)
C21H18N2O2S2

>  <MolWeight> (2,666)
394.50982

>  <COMPOUND_NAME> (2,666)
WAY-301502

>  <BAR_CODE_NO> (2,666)
3903945

$$$$
WAY-301503
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.1138    0.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5379   -0.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2586    0.3448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5379    0.9448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1138   -1.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4138   -0.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1586    1.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9586    1.5759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5379   -2.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2379   -1.3034    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.8379   -1.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6241    1.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3966   -2.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2034   -2.0552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2034   -0.5552    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.3621    1.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1414    1.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5241    0.2862    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7414    0.9448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2621    2.4207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3621    0.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6759   -0.6414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  9 13  2  0  0  0  0
 10 14  2  0  0  0  0
 10 15  1  0  0  0  0
 12 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  2  0  0  0  0
 18 21  1  0  0  0  0
 21 22  2  0  0  0  0
  7  8  2  0  0  0  0
 11 13  1  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <Mol_ID> (2,667)
2667

>  <Formula> (2,667)
C14H9N3O4S

>  <MolWeight> (2,667)
315.30396

>  <COMPOUND_NAME> (2,667)
WAY-301503

>  <BAR_CODE_NO> (2,667)
3903947

$$$$
WAY-301509-A
csChFnd80/06171916322D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -0.5690    0.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5690   -0.3000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.2414    1.1034    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.0069   -1.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2414   -0.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1207    0.5483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1897    0.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0483    0.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4724    2.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1897   -0.9138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0483   -0.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5966   -1.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
 10 12  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
M  END
>  <Mol_ID> (2,668)
2668

>  <Formula> (2,668)
C10H20N2

>  <MolWeight> (2,668)
168.2792

>  <COMPOUND_NAME> (2,668)
WAY-301509-A

>  <BAR_CODE_NO> (2,668)
3903954

$$$$
WAY-301523
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.4826   -0.8651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1239   -0.4996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4757   -1.6099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8140   -0.8617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1239    0.2556    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7688   -0.8686    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1692   -1.9927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1170   -1.9858    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8174   -1.6237    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4757    0.6314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7688   -1.6203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4826    1.3797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1692    0.2556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1657    1.7556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8174    0.6280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8174    1.3797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4657    1.7556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1174    1.3797    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4657    2.5073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
  7  9  1  0  0  0  0
  8 11  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (2,669)
2669

>  <Formula> (2,669)
C12H9N5O2

>  <MolWeight> (2,669)
255.23216

>  <COMPOUND_NAME> (2,669)
WAY-301523

>  <BAR_CODE_NO> (2,669)
3903972

$$$$
WAY-301524-A
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.1448   -1.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1552   -0.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1759   -1.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7448   -1.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1586    0.0483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7690   -0.4828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2310   -2.0828    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7793   -1.5931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7966   -1.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2379   -0.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1379    0.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0793   -1.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3483   -2.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1759    1.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7517    0.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1172    1.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0414    1.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7310    1.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1966    2.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1034    2.8069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8069    2.2414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  9 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  2  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
  7  9  1  0  0  0  0
  8 12  2  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (2,670)
2670

>  <Formula> (2,670)
C15H13N3O2S

>  <MolWeight> (2,670)
299.34762

>  <COMPOUND_NAME> (2,670)
WAY-301524-A

>  <BAR_CODE_NO> (2,670)
3903973

$$$$
WAY-301527
csChFnd80/06171916322D

 22 25  0  0  0  0  0  0  0  0999 V2000
    0.4788   -1.0210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1271   -0.6244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4788   -1.7244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2212   -0.7865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1271    0.0928    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7650   -1.0210    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2212   -1.9693    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1271   -2.1210    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6350   -1.3865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4557   -0.0865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4650    0.4756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7650   -1.7244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3729   -1.4693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4650    1.1928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1729    0.0928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1729    1.5756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8212    0.4756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8212    1.1928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1729    2.2928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4557    1.5756    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8212    2.6756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4557    2.2928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  9 13  1  0  0  0  0
 11 14  2  0  0  0  0
 11 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
  7  9  1  0  0  0  0
  8 12  2  0  0  0  0
 17 18  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (2,671)
2671

>  <Formula> (2,671)
C16H15N3O2S

>  <MolWeight> (2,671)
313.3742

>  <COMPOUND_NAME> (2,671)
WAY-301527

>  <BAR_CODE_NO> (2,671)
3903977

$$$$
WAY-301528
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.3207    1.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3207    2.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0690    1.3552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3724    1.2069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0690    2.6552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3724    2.7931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5276    2.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3069    0.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0586    1.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0586    2.3931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3724    3.5931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7897    0.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0276   -0.7276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4931   -1.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3069   -1.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7276   -2.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8310   -1.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1931   -2.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5793   -2.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1069   -3.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8552   -2.9552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9310   -3.9379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  8 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
  5  7  2  0  0  0  0
  9 10  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (2,672)
2672

>  <Formula> (2,672)
C15H15N5O2

>  <MolWeight> (2,672)
297.3119

>  <COMPOUND_NAME> (2,672)
WAY-301528

>  <BAR_CODE_NO> (2,672)
3903978

$$$$
WAY-301532
csChFnd80/06171916322D

 30 34  0  0  0  0  0  0  0  0999 V2000
   -0.7780    1.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0780    1.7482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1178   -1.2476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8178    1.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8178   -0.4976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5178    1.7482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0780    3.2440    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3780    0.9982    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7780   -0.4976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5178   -1.2476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4178   -0.4976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1178    1.7482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4178    1.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6780    3.2440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6780    1.7482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1178   -2.7476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8178   -3.4976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5178    3.2440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7780   -4.9976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7137   -1.2476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7137    1.7524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5178   -2.7476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8178   -4.9976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9738    3.9940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9738    0.9982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5178   -5.7476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7780   -3.4976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0137    1.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2697    3.2440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2697    1.7482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  4  2  0  0  0  0
  6  1  1  0  0  0  0
  7  2  2  0  0  0  0
  8  2  1  0  0  0  0
  9  1  2  0  0  0  0
 10  9  1  0  0  0  0
 11 13  1  0  0  0  0
 12  4  1  0  0  0  0
 13 12  2  0  0  0  0
 14  7  1  0  0  0  0
 15  8  1  0  0  0  0
 16  3  1  0  0  0  0
 17 16  1  0  0  0  0
 18  6  2  0  0  0  0
 19 26  1  0  0  0  0
 20 11  1  0  0  0  0
 21 13  1  0  0  0  0
 22 17  1  0  0  0  0
 23 17  1  0  0  0  0
 24 14  1  0  0  0  0
 25 15  1  0  0  0  0
 26 23  1  0  0  0  0
 27 22  1  0  0  0  0
 28 21  1  0  0  0  0
 29 24  2  0  0  0  0
 30 25  2  0  0  0  0
  5 10  1  0  0  0  0
 15 14  2  0  0  0  0
 30 29  1  0  0  0  0
 11  3  2  0  0  0  0
 19 27  1  0  0  0  0
M  END
>  <Mol_ID> (2,673)
2673

>  <Formula> (2,673)
C23H23N3O4

>  <MolWeight> (2,673)
405.44642

>  <COMPOUND_NAME> (2,673)
WAY-301532

>  <BAR_CODE_NO> (2,673)
3903983

$$$$
WAY-301535
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
    1.8103    0.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8690    0.0897    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0483    1.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4690   -0.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0517   -0.1552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6276    1.0034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1103   -0.8552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9690    1.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3690   -0.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7103    0.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3103   -1.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6483    0.7897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2414    2.3966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6517    0.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2310   -1.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    1.0241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1793    2.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9103   -0.6552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8483    1.9379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8310   -0.8966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4897   -0.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0724   -1.8103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4103   -0.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2310    0.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9897   -2.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6724   -1.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2207   -3.0034    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  8 12  2  0  0  0  0
  8 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 16 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
 23 26  1  0  0  0  0
 25 27  1  0  0  0  0
  9 12  1  0  0  0  0
 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <Mol_ID> (2,674)
2674

>  <Formula> (2,674)
C19H21ClN2O4S

>  <MolWeight> (2,674)
408.89904

>  <COMPOUND_NAME> (2,674)
WAY-301535

>  <BAR_CODE_NO> (2,674)
3903987

$$$$
WAY-301543
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.8411   -0.2511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8411   -1.0235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5072   -0.2615    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5238    0.1385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5238   -1.4201    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1756   -1.4235    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3244   -0.2615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4969   -1.0442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1928   -0.2511    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5238    0.9247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1928   -1.0408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5238   -2.2028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7382    0.4558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9514   -0.0511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8687   -1.4235    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3244    1.1592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5589    0.4558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7279    1.8765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9658    1.1661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5555    1.8799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9589    2.5972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  7 13  1  0  0  0  0
  9 14  1  0  0  0  0
 11 15  2  0  0  0  0
 13 16  1  0  0  0  0
 13 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
  6  8  2  0  0  0  0
  9 11  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (2,675)
2675

>  <Formula> (2,675)
C15H16N4O2

>  <MolWeight> (2,675)
284.31314

>  <COMPOUND_NAME> (2,675)
WAY-301543

>  <BAR_CODE_NO> (2,675)
3903995

$$$$
WAY-301569
csChFnd80/06171916322D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -0.0944    1.4081    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7229    0.2529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4426    0.9598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7850    2.5598    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0944   -0.9230    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1125    0.6977    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4426   -0.4747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6875    1.6805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1332    2.0736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3919   -2.3092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6875   -1.1850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9323    0.9598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3367    2.8632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8091   -2.6126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9323   -0.4747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7677   -1.5402    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539   -3.9368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  2  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
  5  7  1  0  0  0  0
  6  9  1  0  0  0  0
 12 15  1  0  0  0  0
M  END
>  <Mol_ID> (2,676)
2676

>  <Formula> (2,676)
C11H10N4O2

>  <MolWeight> (2,676)
230.2227

>  <COMPOUND_NAME> (2,676)
WAY-301569

>  <BAR_CODE_NO> (2,676)
3904025

$$$$
WAY-301573
csChFnd80/06171916322D

 23 26  0  0  0  0  0  0  0  0999 V2000
    1.2063    0.1469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3959   -0.3117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2925    1.0573    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0614   -0.2117    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4282    0.1607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3959   -1.2496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2028    1.2573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6752    0.4711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2558   -0.3117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4282   -1.7186    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2200   -1.7186    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6304    2.0676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5994    0.4573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2558   -1.2496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0800    0.1607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5718    2.0814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0545    1.2711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0800   -1.7186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9075   -0.3117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9075   -1.2496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7317    0.1607    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -3.7179    1.0849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5144   -0.3255    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  2  0  0  0  0
  8 13  2  0  0  0  0
  9 14  2  0  0  0  0
  9 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
  7  8  1  0  0  0  0
 10 14  1  0  0  0  0
 16 17  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (2,677)
2677

>  <Formula> (2,677)
C16H10N4O3

>  <MolWeight> (2,677)
306.2756

>  <COMPOUND_NAME> (2,677)
WAY-301573

>  <BAR_CODE_NO> (2,677)
3904030

$$$$
WAY-301590
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.0310   -0.8069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2241   -1.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6345   -0.3207    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8207   -0.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0483   -1.5931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2655   -2.2586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2690   -0.7931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9931    0.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5448   -2.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0793   -0.5517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7552    0.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3828    0.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3690   -2.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2793    0.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9069    1.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5310    1.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0690    0.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2931    1.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5759    1.5966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5828    2.4069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3759    2.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8 11  1  0  0  0  0
  8 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 15 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
  5  7  1  0  0  0  0
 16 18  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (2,678)
2678

>  <Formula> (2,678)
C15H16N2O3S

>  <MolWeight> (2,678)
304.36414

>  <COMPOUND_NAME> (2,678)
WAY-301590

>  <BAR_CODE_NO> (2,678)
3904050

$$$$
WAY-301595
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -1.6931   -0.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1483   -0.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3862   -0.4069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7552    0.6310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5069   -0.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1552   -1.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8724    0.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4862    0.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1448   -0.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5069   -1.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6241    0.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8448    1.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7931   -0.0172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1448   -1.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9793    0.8379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5931    1.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4448   -0.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0931   -0.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4448   -1.1448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7448   -0.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3931   -0.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4759    0.7276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0828   -0.3241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2069    0.8828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5828    0.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  2  0  0  0  0
 11 15  2  0  0  0  0
 12 16  2  0  0  0  0
 13 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
  7  8  2  0  0  0  0
 10 14  1  0  0  0  0
 15 16  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (2,679)
2679

>  <Formula> (2,679)
C20H14N2O3

>  <MolWeight> (2,679)
330.33676

>  <COMPOUND_NAME> (2,679)
WAY-301595

>  <BAR_CODE_NO> (2,679)
3904057

$$$$
WAY-301607
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.3069    0.1276    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.3897   -0.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3069    0.9103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9345   -0.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3897   -1.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0655    0.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9552    1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3069    1.4103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9345   -1.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6448    0.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3069   -1.4552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0655   -1.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7448   -0.2586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0655    0.9103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7931    2.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0241    2.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6448   -1.4724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3345    0.5655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7448   -1.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4276   -1.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  2  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 17  1  0  0  0  0
 10 18  3  0  0  0  0
 12 19  2  0  0  0  0
 19 20  1  0  0  0  0
  9 11  1  0  0  0  0
 13 19  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <Mol_ID> (2,680)
2680

>  <Formula> (2,680)
C14H10N2O4

>  <MolWeight> (2,680)
270.2402

>  <COMPOUND_NAME> (2,680)
WAY-301607

>  <BAR_CODE_NO> (2,680)
3904072

$$$$
WAY-301613
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
    0.1662   -0.0058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0524    0.2942    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1662   -0.9334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6269    0.4701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5731   -0.4748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3455    1.1528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0524   -1.2092    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6269   -1.3851    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4131   -0.0058    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6269    1.3804    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5041   -0.4748    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2558    1.3287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4131   -0.9334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6269   -2.3196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2304    0.4908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9558   -1.2610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9972    0.3080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8558    0.6356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5834    2.1873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2304   -1.4092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0407    0.0218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7662    0.8046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4662    2.3632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0407   -0.9127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8373    0.4908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0627    1.6735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8373   -1.3851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6269    0.0218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6269   -0.9127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  2  0  0  0  0
 12 19  1  0  0  0  0
 13 20  2  0  0  0  0
 15 21  1  0  0  0  0
 18 22  1  0  0  0  0
 19 23  2  0  0  0  0
 21 24  1  0  0  0  0
 21 25  2  0  0  0  0
 22 26  2  0  0  0  0
 24 27  2  0  0  0  0
 25 28  1  0  0  0  0
 27 29  1  0  0  0  0
  5  7  2  0  0  0  0
  9 13  1  0  0  0  0
 23 26  1  0  0  0  0
 28 29  2  0  0  0  0
M  END
>  <Mol_ID> (2,681)
2681

>  <Formula> (2,681)
C22H23N5O2

>  <MolWeight> (2,681)
389.45032

>  <COMPOUND_NAME> (2,681)
WAY-301613

>  <BAR_CODE_NO> (2,681)
3904082

$$$$
WAY-301614
csChFnd80/06171916322D

 19 20  0  0  0  0  0  0  0  0999 V2000
    9.9268    6.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3327    5.7354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3327    7.1472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1061    6.4207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1533    5.7354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9062    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1533    7.1560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6884    7.1472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5652    6.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5652    7.8885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8679    7.1472    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.4590    7.8561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4590    6.4207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6412    7.8708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2324    8.5914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2324    7.1560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4118    8.5914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4118    7.1560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    7.8708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
  7  9  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (2,682)
2682

>  <Formula> (2,682)
C15H23NO3

>  <MolWeight> (2,682)
265.34802

>  <COMPOUND_NAME> (2,682)
WAY-301614

>  <BAR_CODE_NO> (2,682)
3904083

$$$$
WAY-301627
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -2.4450    0.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3692   -0.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7209    0.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2485    0.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5692   -0.9552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0899   -1.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9174    0.4345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7968    1.6966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9657    0.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8416   -0.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8899   -0.7172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0381   -0.8276    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6895   -0.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4929   -0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2239   -0.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5688   -1.5862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0274   -0.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1481    0.6828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7550   -0.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8826    1.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6860    0.8069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4170    1.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 21 22  1  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (2,683)
2683

>  <Formula> (2,683)
C17H14N2O2S

>  <MolWeight> (2,683)
310.37026

>  <COMPOUND_NAME> (2,683)
WAY-301627

>  <BAR_CODE_NO> (2,683)
3904101

$$$$
WAY-301630
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -2.1891   -0.1278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3615    0.3825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1684   -1.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0374    0.3411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3925    1.3549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5132   -0.0658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9960   -1.5589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3305   -1.5796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5719    1.8653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3075    0.4446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0063   -2.5416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3305   -2.5520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2764    1.4067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1684   -3.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1144    1.9170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1684   -4.0071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9626    1.4480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0937    2.8894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7937    1.9480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9937    0.4756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6419    1.4791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8454    0.0135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6626    0.5273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5419    0.0756    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  2  0  0  0  0
  9 13  1  0  0  0  0
 11 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 17 19  1  0  0  0  0
 17 20  2  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 10 13  2  0  0  0  0
 12 14  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (2,684)
2684

>  <Formula> (2,684)
C20H14O4

>  <MolWeight> (2,684)
318.32276

>  <COMPOUND_NAME> (2,684)
WAY-301630

>  <BAR_CODE_NO> (2,684)
3904105

$$$$
WAY-301640
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -0.7655    0.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7655    1.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3862    0.3724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1448    0.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3862    1.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1448    1.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0034    0.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5241    0.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1448   -0.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0034    1.0517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3862    1.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5241    1.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3759    0.3310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9862    1.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3552   -0.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7345   -0.3069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0241   -0.3276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7345   -0.7483    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.0241   -0.7483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1138   -0.9690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3552   -0.9690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3379   -0.9276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4966   -0.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1138   -1.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8862   -0.9759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5069   -1.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8759   -1.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  2  0  0  0  0
 20 23  2  0  0  0  0
 20 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  2  0  0  0  0
  7 10  1  0  0  0  0
  8 12  1  0  0  0  0
 19 21  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (2,685)
2685

>  <Formula> (2,685)
C21H21N5O

>  <MolWeight> (2,685)
359.42434

>  <COMPOUND_NAME> (2,685)
WAY-301640

>  <BAR_CODE_NO> (2,685)
3904123

$$$$
WAY-301641
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.7101    1.7066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1343    1.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5623    0.8031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2205    3.1549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3274    2.1480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3998   -0.3693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8036    1.7411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3002    3.1721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7722    1.5928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8653   -0.9072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3140    1.2894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0377    0.0825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7381   -0.1831    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4174    2.3997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4964   -0.4210    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.6243   -1.2762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0312   -2.7865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1519   -0.8727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9381   -3.8624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5243   -3.1693    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0795   -1.9589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4795   -3.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  2  0  0  0  0
 19 22  2  0  0  0  0
  7  8  2  0  0  0  0
 10 12  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (2,686)
2686

>  <Formula> (2,686)
C17H11Cl2NO2

>  <MolWeight> (2,686)
332.18074

>  <COMPOUND_NAME> (2,686)
WAY-301641

>  <BAR_CODE_NO> (2,686)
3904125

$$$$
WAY-382499
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -1.5958    1.9125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2333    1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2500    2.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6125    2.3333    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.8958    2.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708    2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2333    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708    1.9125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9500    1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708    1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958    1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2333    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708    0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2125   -0.0042    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.9708    2.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3333    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9500    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3333    1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6958    1.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6708    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8  2  2  0  0  0  0
  9  1  1  0  0  0  0
 10  7  2  0  0  0  0
 11  7  1  0  0  0  0
 12 13  1  0  0  0  0
 13 11  2  0  0  0  0
 14 10  1  0  0  0  0
 15 12  1  0  0  0  0
 16  4  1  0  0  0  0
 17  9  2  0  0  0  0
 18  9  1  0  0  0  0
 19 18  2  0  0  0  0
 20 17  1  0  0  0  0
 21 19  1  0  0  0  0
  5  6  1  0  0  0  0
 21 20  2  0  0  0  0
 12 14  2  0  0  0  0
M  END
>  <Mol_ID> (2,687)
2687

>  <Formula> (2,687)
C18H18ClNO

>  <MolWeight> (2,687)
299.79462

>  <COMPOUND_NAME> (2,687)
WAY-382499

>  <BAR_CODE_NO> (2,687)
2540813

$$$$
WAY-382501
csChFnd80/06171916322D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -2.6500    1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6500    1.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2125    0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0708    0.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0958    1.8625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1958    0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9583    1.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3958    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9708    2.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6333    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0708    0.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5125    1.6000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.2125    1.8833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7500    1.1000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.6333   -0.4167    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.4958    0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5125    1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  2  1  0  0  0  0
  6  3  2  0  0  0  0
  7 12  1  0  0  0  0
  8  7  1  0  0  0  0
  9  7  1  0  0  0  0
 10 11  2  0  0  0  0
 11  4  1  0  0  0  0
 12  5  1  0  0  0  0
 13  2  2  0  0  0  0
 14  3  1  0  0  0  0
 15 10  1  0  0  0  0
 16 11  1  0  0  0  0
 17 12  1  0  0  0  0
 10  6  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <Mol_ID> (2,688)
2688

>  <Formula> (2,688)
C13H15Cl2NO

>  <MolWeight> (2,688)
272.1703

>  <COMPOUND_NAME> (2,688)
WAY-382501

>  <BAR_CODE_NO> (2,688)
2540814

$$$$
WAY-384619
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
    4.9792   -2.6417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1292   -1.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6042   -3.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8125   -1.3417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3042   -1.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6500   -2.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4917   -1.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1000   -0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3125   -2.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6792   -1.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8292   -2.2542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8875   -1.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2042   -2.7667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.5667   -4.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0000   -0.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0667   -1.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2917   -0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0500    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8750    0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6417   -0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6250    0.9583    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8292   -4.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2625   -4.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2292   -5.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8000   -5.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5042   -5.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  1  1  0  0  0  0
  4  8  1  0  0  0  0
  5  1  2  0  0  0  0
  6 11  1  0  0  0  0
  7 10  2  0  0  0  0
  8  7  1  0  0  0  0
  9  3  1  0  0  0  0
 10  2  1  0  0  0  0
 11  7  1  0  0  0  0
 12  5  1  0  0  0  0
 13  6  2  0  0  0  0
 14  3  1  0  0  0  0
 15  8  2  0  0  0  0
 16 12  1  0  0  0  0
 17 12  2  0  0  0  0
 18 19  2  0  0  0  0
 19 17  1  0  0  0  0
 20 16  2  0  0  0  0
 21 18  1  0  0  0  0
 22 14  2  0  0  0  0
 23 14  1  0  0  0  0
 24 23  2  0  0  0  0
 25 22  1  0  0  0  0
 26 24  1  0  0  0  0
  9  2  2  0  0  0  0
 20 18  1  0  0  0  0
 25 26  2  0  0  0  0
  6  4  1  0  0  0  0
M  END
>  <Mol_ID> (2,689)
2689

>  <Formula> (2,689)
C19H12FN3OS2

>  <MolWeight> (2,689)
381.4464832

>  <COMPOUND_NAME> (2,689)
WAY-384619

>  <BAR_CODE_NO> (2,689)
2540482

$$$$
WAY-384934
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
    5.5125   -6.9875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1500   -7.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8542   -8.2792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8167   -7.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0292   -8.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3167   -8.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4917   -5.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2917   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5292   -7.8792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9500   -7.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2792   -5.1792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5167   -8.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9167   -6.5542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8917   -9.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9917   -4.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7042   -5.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4167   -4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0167   -7.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4542   -8.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6875   -3.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9792   -3.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6917   -9.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6792  -10.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4042   -3.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1292   -5.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4375   -7.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6542   -8.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2625  -10.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2750   -9.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0625  -10.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  8  1  1  0  0  0  0
  9 10  1  0  0  0  0
 10  2  1  0  0  0  0
 11  7  1  0  0  0  0
 12  6  2  0  0  0  0
 13  7  2  0  0  0  0
 14  6  1  0  0  0  0
 15 11  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18  4  1  0  0  0  0
 19  5  1  0  0  0  0
 20 21  2  0  0  0  0
 21 15  1  0  0  0  0
 22 14  1  0  0  0  0
 23 14  2  0  0  0  0
 24 20  1  0  0  0  0
 25 17  1  0  0  0  0
 26 18  2  0  0  0  0
 27 26  1  0  0  0  0
 28 23  1  0  0  0  0
 29 22  2  0  0  0  0
 30 28  2  0  0  0  0
  5  3  1  0  0  0  0
 27 19  2  0  0  0  0
 17 24  2  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (2,690)
2690

>  <Formula> (2,690)
C24H22N4O2

>  <MolWeight> (2,690)
398.45708

>  <COMPOUND_NAME> (2,690)
WAY-384934

>  <BAR_CODE_NO> (2,690)
2540473

$$$$
WAY-384936
csChFnd80/06171916322D

 33 36  0  0  0  0  0  0  0  0999 V2000
    6.0917   -7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0917   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3750   -8.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3750   -6.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8125   -6.6000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.8125   -8.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2292   -9.0875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8167   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5250   -7.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2417   -7.4375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6625   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6625   -7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9417   -9.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5250   -7.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8042   -9.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5167   -9.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2375   -8.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1000   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5292   -5.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9375  -10.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6542   -9.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3667  -10.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3667   -9.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6417  -10.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0792  -10.7542    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.2417   -3.2917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9500   -8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9500   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5292   -4.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2417   -4.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9542   -2.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2292   -7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2292   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  2  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7 16  1  0  0  0  0
  8  5  1  0  0  0  0
  9  5  1  0  0  0  0
 10  9  3  0  0  0  0
 11 12  1  0  0  0  0
 12  4  1  0  0  0  0
 13  7  1  0  0  0  0
 14  6  1  0  0  0  0
 15  6  1  0  0  0  0
 16 15  1  0  0  0  0
 17 14  1  0  0  0  0
 18  8  2  0  0  0  0
 19  8  1  0  0  0  0
 20 13  2  0  0  0  0
 21 13  1  0  0  0  0
 22 23  1  0  0  0  0
 23 21  2  0  0  0  0
 24 20  1  0  0  0  0
 25 22  1  0  0  0  0
 26 30  1  0  0  0  0
 27 11  2  0  0  0  0
 28 12  2  0  0  0  0
 29 19  1  0  0  0  0
 30 29  1  0  0  0  0
 31 26  1  0  0  0  0
 32 28  1  0  0  0  0
 33 32  2  0  0  0  0
  3 11  1  0  0  0  0
  7 17  1  0  0  0  0
 33 27  1  0  0  0  0
 24 22  2  0  0  0  0
M  END
>  <Mol_ID> (2,691)
2691

>  <Formula> (2,691)
C24H25FN6O2

>  <MolWeight> (2,691)
448.4927032

>  <COMPOUND_NAME> (2,691)
WAY-384936

>  <BAR_CODE_NO> (2,691)
2540475

$$$$
WAY-385119
csChFnd80/06171916322D

 29 33  0  0  0  0  0  0  0  0999 V2000
    5.5417   -6.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0250   -7.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5417   -7.9167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7542   -7.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7542   -6.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917   -5.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0417   -8.0750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0417   -6.4250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6000   -5.6167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7542   -8.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3292   -7.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3292   -6.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8542   -4.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2417   -5.1792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8500   -7.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1042   -4.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000   -4.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1792   -9.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5542   -8.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1917  -10.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7750   -9.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3917  -10.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4167  -11.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6167   -6.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6167   -8.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2250  -11.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4417  -12.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9000   -7.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9000   -6.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  4  2  0  0  0  0
  8  5  2  0  0  0  0
  9  6  1  0  0  0  0
 10  3  1  0  0  0  0
 11 12  1  0  0  0  0
 12  8  1  0  0  0  0
 13  9  1  0  0  0  0
 14  6  2  0  0  0  0
 15  2  1  0  0  0  0
 16 13  1  0  0  0  0
 17 13  1  0  0  0  0
 18 10  2  0  0  0  0
 19 10  1  0  0  0  0
 20 21  1  0  0  0  0
 21 19  2  0  0  0  0
 22 18  1  0  0  0  0
 23 20  1  0  0  0  0
 24 12  2  0  0  0  0
 25 11  2  0  0  0  0
 26 23  1  0  0  0  0
 27 26  1  0  0  0  0
 28 29  2  0  0  0  0
 29 24  1  0  0  0  0
  4  3  1  0  0  0  0
 17 16  1  0  0  0  0
  7 11  1  0  0  0  0
 22 20  2  0  0  0  0
 28 25  1  0  0  0  0
M  END
>  <Mol_ID> (2,692)
2692

>  <Formula> (2,692)
C22H21N5O2

>  <MolWeight> (2,692)
387.43444

>  <COMPOUND_NAME> (2,692)
WAY-385119

>  <BAR_CODE_NO> (2,692)
2540491

$$$$
WAY-385123
csChFnd80/06171916322D

 37 42  0  0  0  0  0  0  0  0999 V2000
    7.1750   -5.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8542   -7.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9667   -5.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3417   -8.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8542   -8.7375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0667   -8.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1667   -4.2875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9667   -4.5417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6792   -4.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0667   -7.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1042   -6.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9167   -6.4292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3417   -8.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3417   -7.2417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6292   -8.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6292   -7.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6292   -5.8667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1042   -9.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6292   -4.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5542   -5.9917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1667   -8.0792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9167   -3.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8542   -4.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9167   -7.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9167   -8.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5417  -10.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9125   -9.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3792   -4.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5417   -3.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917   -8.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917   -7.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1667  -10.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0500   -3.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2042   -2.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917  -10.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6042  -11.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9625   -3.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 11  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  4  1  0  0  0  0
  6 10  1  0  0  0  0
  7  9  1  0  0  0  0
  8  3  1  0  0  0  0
  9  1  2  0  0  0  0
 10  2  1  0  0  0  0
 11 12  1  0  0  0  0
 12  1  1  0  0  0  0
 13  6  2  0  0  0  0
 14 10  2  0  0  0  0
 15 16  1  0  0  0  0
 16 14  1  0  0  0  0
 17  3  2  0  0  0  0
 18  5  1  0  0  0  0
 19  8  1  0  0  0  0
 20 11  2  0  0  0  0
 21  4  1  0  0  0  0
 22  7  1  0  0  0  0
 23  9  1  0  0  0  0
 24 16  2  0  0  0  0
 25 15  2  0  0  0  0
 26 18  2  0  0  0  0
 27 18  1  0  0  0  0
 28 19  2  0  0  0  0
 29 19  1  0  0  0  0
 30 31  2  0  0  0  0
 31 24  1  0  0  0  0
 32 27  2  0  0  0  0
 33 28  1  0  0  0  0
 34 29  2  0  0  0  0
 35 26  1  0  0  0  0
 36 32  1  0  0  0  0
 37 34  1  0  0  0  0
  8  7  1  0  0  0  0
  6  5  1  0  0  0  0
 33 37  2  0  0  0  0
 15 13  1  0  0  0  0
 25 30  1  0  0  0  0
 35 36  2  0  0  0  0
M  END
>  <Mol_ID> (2,693)
2693

>  <Formula> (2,693)
C28H23N7O2

>  <MolWeight> (2,693)
489.52792

>  <COMPOUND_NAME> (2,693)
WAY-385123

>  <BAR_CODE_NO> (2,693)
2540486

$$$$
WAY-385531
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
    6.4292   -7.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9167   -6.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4292   -5.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6417   -6.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6417   -6.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9250   -7.4042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9250   -5.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7750   -5.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6500   -8.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2042   -6.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2042   -6.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2792   -9.4292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7417   -6.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2875   -4.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0667   -8.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6042   -5.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6917  -11.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8917   -5.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4750   -6.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6917  -10.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0667   -9.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0917   -5.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4917   -7.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4917   -5.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2792  -10.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9042  -10.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7667   -6.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7667   -6.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  4  2  0  0  0  0
  7  5  2  0  0  0  0
  8  3  1  0  0  0  0
  9  1  1  0  0  0  0
 10  6  1  0  0  0  0
 11 10  1  0  0  0  0
 12 15  1  0  0  0  0
 13  2  1  0  0  0  0
 14  8  2  0  0  0  0
 15  9  1  0  0  0  0
 16  8  1  0  0  0  0
 17 25  1  0  0  0  0
 18 22  1  0  0  0  0
 19 18  2  0  0  0  0
 20 12  1  0  0  0  0
 21 12  1  0  0  0  0
 22 16  1  0  0  0  0
 23 10  2  0  0  0  0
 24 11  2  0  0  0  0
 25 21  1  0  0  0  0
 26 20  1  0  0  0  0
 27 28  2  0  0  0  0
 28 23  1  0  0  0  0
  3  5  1  0  0  0  0
  7 11  1  0  0  0  0
 26 17  1  0  0  0  0
 27 24  1  0  0  0  0
M  END
>  <Mol_ID> (2,694)
2694

>  <Formula> (2,694)
C20H24N6O2

>  <MolWeight> (2,694)
380.44356

>  <COMPOUND_NAME> (2,694)
WAY-385531

>  <BAR_CODE_NO> (2,694)
2540523

$$$$
WAY-386346
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -1.6333   -0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8500    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6125    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8333   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2333   -0.6000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9125   -0.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4125    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1125    1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167   -2.1042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5708   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333   -1.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    1.8833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3125   -1.6292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4500   -3.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708    1.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8333    0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0708    0.2208    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.4333   -2.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542   -2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0167   -3.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708   -3.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3500    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8333    0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9  3  1  0  0  0  0
 10 12  1  0  0  0  0
 11  4  1  0  0  0  0
 12  8  1  0  0  0  0
 13  7  2  0  0  0  0
 14  8  2  0  0  0  0
 15 21  1  0  0  0  0
 16  7  1  0  0  0  0
 17  9  1  0  0  0  0
 18 11  1  0  0  0  0
 19 10  1  0  0  0  0
 20 10  1  0  0  0  0
 21 20  1  0  0  0  0
 22 19  1  0  0  0  0
 23 16  1  0  0  0  0
 24 18  1  0  0  0  0
  3  4  2  0  0  0  0
 17 18  1  0  0  0  0
 15 22  1  0  0  0  0
M  END
>  <Mol_ID> (2,695)
2695

>  <Formula> (2,695)
C17H24N2O4S

>  <MolWeight> (2,695)
352.44846

>  <COMPOUND_NAME> (2,695)
WAY-386346

>  <BAR_CODE_NO> (2,695)
2540576

$$$$
WAY-386384
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.5000    0.4833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542    0.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542    1.3208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000    1.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9375    0.7833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833    0.6833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2000    1.5833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6625    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000   -0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4000    0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7625    1.3458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3625    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5000    2.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9625    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5625    0.4458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8625    1.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2833    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9542   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167   -0.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9542   -0.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000   -1.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  8  1  0  0  0  0
  8 17  1  0  0  0  0
  9  1  1  0  0  0  0
 10 16  1  0  0  0  0
 11 10  1  0  0  0  0
 12  7  1  0  0  0  0
 13  8  2  0  0  0  0
 14 13  1  0  0  0  0
 15 10  2  0  0  0  0
 16  6  1  0  0  0  0
 17 11  1  0  0  0  0
 18  9  2  0  0  0  0
 19  9  1  0  0  0  0
 20 18  1  0  0  0  0
 21 19  2  0  0  0  0
 22 21  1  0  0  0  0
  4  3  1  0  0  0  0
 22 20  2  0  0  0  0
 14 12  2  0  0  0  0
M  END
>  <Mol_ID> (2,696)
2696

>  <Formula> (2,696)
C14H13N5OS2

>  <MolWeight> (2,696)
331.41592

>  <COMPOUND_NAME> (2,696)
WAY-386384

>  <BAR_CODE_NO> (2,696)
2540611

$$$$
WAY-386454
csChFnd80/06171916322D

 32 36  0  0  0  0  0  0  0  0999 V2000
   -2.1551    0.7970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1551   -0.1030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7447    0.7970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3585    1.2487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3585   -0.5513    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9447   -0.5513    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7447   -0.1030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5309    1.2487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5723    0.7970    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3585    2.1901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5723   -0.1030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5309   -0.5513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3309    0.7970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2449    1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2449   -0.5720    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3309   -0.1030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2449    2.2245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0691    0.7763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2449   -1.5237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0760    2.6763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8932    1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0691   -2.0030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9208    2.1970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8898   -1.5099    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0415   -2.9237    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6898   -1.9893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5415   -1.4720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3691   -1.9272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4898   -0.4893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1760   -1.3720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3070    0.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1760   -0.4513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  1  0  0  0  0
 17 20  2  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  2  0  0  0  0
 28 30  2  0  0  0  0
 29 31  1  0  0  0  0
 30 32  1  0  0  0  0
  6  7  1  0  0  0  0
  9 11  1  0  0  0  0
 13 16  1  0  0  0  0
 21 23  2  0  0  0  0
 31 32  2  0  0  0  0
M  END
>  <Mol_ID> (2,697)
2697

>  <Formula> (2,697)
C25H23N3O2S2

>  <MolWeight> (2,697)
461.59902

>  <COMPOUND_NAME> (2,697)
WAY-386454

>  <BAR_CODE_NO> (2,697)
2540687

$$$$
WAY-386463
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -1.0625   -0.8667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3458   -0.8667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0625   -0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0625   -1.5875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833   -0.8667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6833    2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0625    2.0333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6625    3.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6833    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0625    1.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6833    0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458    0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1375   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167   -1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0458    3.4708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3000    2.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2833    3.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4000    3.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7167   -1.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9208    2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9208    3.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  1  2  0  0  0  0
  6  7  1  0  0  0  0
  7 11  1  0  0  0  0
  8  6  2  0  0  0  0
  9  3  2  0  0  0  0
 10  3  1  0  0  0  0
 11 12  1  0  0  0  0
 12 10  2  0  0  0  0
 13  9  1  0  0  0  0
 14  2  1  0  0  0  0
 15  2  1  0  0  0  0
 16  8  1  0  0  0  0
 17  6  1  0  0  0  0
 18  8  1  0  0  0  0
 19 16  1  0  0  0  0
 20 14  1  0  0  0  0
 21 15  1  0  0  0  0
 22 17  2  0  0  0  0
 23 22  1  0  0  0  0
 13 11  2  0  0  0  0
 20 21  1  0  0  0  0
 23 18  2  0  0  0  0
M  END
>  <Mol_ID> (2,698)
2698

>  <Formula> (2,698)
C17H19NO4S

>  <MolWeight> (2,698)
333.40206

>  <COMPOUND_NAME> (2,698)
WAY-386463

>  <BAR_CODE_NO> (2,698)
2540727

$$$$
WAY-386488
csChFnd80/06171916322D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -0.3958   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8958   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333   -0.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1500    0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792   -0.8292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9500   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4708   -1.2000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2958   -0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542    0.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6500   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7500   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.5208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1958    0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0500    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6125    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6333   -0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4500    0.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  2  0  0  0  0
  7  3  1  0  0  0  0
  8  2  1  0  0  0  0
  9  4  1  0  0  0  0
 10  9  1  0  0  0  0
 11  8  1  0  0  0  0
 12 11  2  0  0  0  0
 13  4  2  0  0  0  0
 14  8  2  0  0  0  0
 15 16  2  0  0  0  0
 16 14  1  0  0  0  0
 17 12  1  0  0  0  0
 18 15  1  0  0  0  0
  7  6  1  0  0  0  0
 10  5  2  0  0  0  0
 12 15  1  0  0  0  0
M  END
>  <Mol_ID> (2,699)
2699

>  <Formula> (2,699)
C14H12N2S2

>  <MolWeight> (2,699)
272.38848

>  <COMPOUND_NAME> (2,699)
WAY-386488

>  <BAR_CODE_NO> (2,699)
2540751

$$$$
WAY-386489
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -0.2958    0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333    0.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708   -0.0542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9125    0.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0708    0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000    0.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333    1.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3542   -1.2792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3000   -0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167   -1.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7792   -0.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333    1.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792   -1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0958   -0.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917   -1.1000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.9500   -1.9500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.7500   -0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542   -1.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542    1.0333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2500    1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5333    0.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5792   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0500   -2.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8708    0.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8 13  1  0  0  0  0
  9  6  1  0  0  0  0
 10 16  1  0  0  0  0
 11  9  1  0  0  0  0
 12  7  2  0  0  0  0
 13 11  1  0  0  0  0
 14  9  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17  8  1  0  0  0  0
 18  8  1  0  0  0  0
 19  7  1  0  0  0  0
 20  4  1  0  0  0  0
 21  5  1  0  0  0  0
 22 15  1  0  0  0  0
 23 16  1  0  0  0  0
 24 19  1  0  0  0  0
 25 20  1  0  0  0  0
 26 21  1  0  0  0  0
  5  4  2  0  0  0  0
 26 25  1  0  0  0  0
 10 15  1  0  0  0  0
M  END
>  <Mol_ID> (2,700)
2700

>  <Formula> (2,700)
C19H28N2O4S

>  <MolWeight> (2,700)
380.50162

>  <COMPOUND_NAME> (2,700)
WAY-386489

>  <BAR_CODE_NO> (2,700)
2540749

$$$$
WAY-386494
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -1.3792   -0.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8206    0.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3792   -1.5207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1171    0.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8033    1.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6827   -0.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1171   -2.2586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8206   -1.9655    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1449    0.0172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0551    2.2655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2033    1.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3413    2.8966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1449   -1.5207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3415    0.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1620    2.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3413    3.9931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4449   -2.3897    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7346    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2277    2.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7792    3.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4346   -3.8828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9346    1.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4449    3.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6691   -4.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7829    2.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0277   -3.9793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6691   -6.1345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
  7 13  2  0  0  0  0
  9 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 14 19  2  0  0  0  0
 15 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  2  0  0  0  0
 19 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  2  0  0  0  0
  6  8  1  0  0  0  0
  9 13  1  0  0  0  0
 16 20  2  0  0  0  0
 23 25  2  0  0  0  0
M  END
>  <Mol_ID> (2,701)
2701

>  <Formula> (2,701)
C21H16N2O2S2

>  <MolWeight> (2,701)
392.49394

>  <COMPOUND_NAME> (2,701)
WAY-386494

>  <BAR_CODE_NO> (2,701)
2540743

$$$$
WAY-386497
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
    0.8042   -0.8292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0625   -0.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667   -0.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0625   -1.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667   -1.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8042   -1.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2500   -0.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458   -1.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8208   -1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292   -0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7500    0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000   -0.0500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458    0.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3625   -0.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667   -1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5625    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7000   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083    0.7833    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.9042   -1.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8500    0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  4  1  0  0  0  0
 10  8  2  0  0  0  0
 11  7  1  0  0  0  0
 12  7  1  0  0  0  0
 13 12  2  0  0  0  0
 14 11  2  0  0  0  0
 15  8  1  0  0  0  0
 16  3  2  0  0  0  0
 17 15  2  0  0  0  0
 18 15  1  0  0  0  0
 19  6  1  0  0  0  0
 20 22  1  0  0  0  0
 21 17  1  0  0  0  0
 22 18  2  0  0  0  0
 23 20  1  0  0  0  0
 24 12  1  0  0  0  0
 25 11  1  0  0  0  0
 14 13  1  0  0  0  0
  4  2  2  0  0  0  0
  9 10  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (2,702)
2702

>  <Formula> (2,702)
C19H16ClN3OS

>  <MolWeight> (2,702)
369.86784

>  <COMPOUND_NAME> (2,702)
WAY-386497

>  <BAR_CODE_NO> (2,702)
2540754

$$$$
WAY-312782
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.5379   -0.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2759   -0.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1379    0.3069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0759   -0.8621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6379    0.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6379   -0.9517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5621    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6034   -0.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3759    0.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3759   -0.9517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1621    0.5828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2621   -0.9793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7379   -0.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9034    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4759   -0.2931    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.2862    1.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3897    0.1586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0103    1.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1103    0.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  2  0  0  0  0
  9 13  1  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
  7  8  1  0  0  0  0
 10 13  2  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (2,703)
2703

>  <Formula> (2,703)
C14H8ClNO3

>  <MolWeight> (2,703)
273.67122

>  <COMPOUND_NAME> (2,703)
WAY-312782

>  <BAR_CODE_NO> (2,703)
3917488

$$$$
WAY-313158
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -0.1690   -0.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1931    0.2448    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.1931   -1.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0069   -0.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2690    0.9448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0138    0.4241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0138   -1.4552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2862   -1.9759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4862   -1.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3862    0.3069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1069    0.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1138    1.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6793   -0.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6793   -0.9379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1207   -1.9172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5690    1.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3552    2.3586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3931    0.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3931   -1.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0690   -2.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8069   -2.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1862    2.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1310   -0.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1310   -0.9379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6414    3.0690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4931    3.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
 11 16  2  0  0  0  0
 12 17  1  0  0  0  0
 13 18  1  0  0  0  0
 14 19  1  0  0  0  0
 15 20  1  0  0  0  0
 15 21  1  0  0  0  0
 16 22  1  0  0  0  0
 18 23  2  0  0  0  0
 19 24  2  0  0  0  0
 22 25  1  0  0  0  0
 25 26  1  0  0  0  0
  9 15  1  0  0  0  0
 13 14  2  0  0  0  0
 17 22  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (2,704)
2704

>  <Formula> (2,704)
C22H24N2O2

>  <MolWeight> (2,704)
348.43816

>  <COMPOUND_NAME> (2,704)
WAY-313158

>  <BAR_CODE_NO> (2,704)
3917961

$$$$
WAY-312267
csChFnd80/06171916322D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -0.7552    0.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0690    0.2552    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1759   -0.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1517    0.9931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8966    0.2379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0552   -0.5759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0897    1.0793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0000   -0.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9793    1.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2897   -0.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1103   -0.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2241    0.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5345    0.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -1.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6310    1.0345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6517   -0.3966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3483    0.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3207   -1.2517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7483   -0.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
 13 16  1  0  0  0  0
 13 17  2  0  0  0  0
 14 18  2  0  0  0  0
 15 19  1  0  0  0  0
 18 20  1  0  0  0  0
  9 11  2  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (2,705)
2705

>  <Formula> (2,705)
C13H12N2O4S

>  <MolWeight> (2,705)
292.31038

>  <COMPOUND_NAME> (2,705)
WAY-312267

>  <BAR_CODE_NO> (2,705)
3916876

$$$$
GI-509990
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -3.3366    0.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3366    1.8373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9991   -0.4807    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6741   -0.4760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9991    2.6083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6741    2.6131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6616    0.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9973    0.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6616    1.8373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9973    1.8373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6711   -0.4760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6711    2.6036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9991    0.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3318   -0.4760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9991    1.8277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3318   -2.0134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6645    0.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6645   -2.7844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9925   -0.4712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9973   -2.0134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  2  0  0  0  0
  9 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (2,706)
2706

>  <Formula> (2,706)
C16H12N2O2

>  <MolWeight> (2,706)
264.27868

>  <COMPOUND_NAME> (2,706)
GI-509990

>  <BAR_CODE_NO> (2,706)
3917806

$$$$
WAY-229664
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -1.2066    0.7104    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1721    1.5380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5342    0.2242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8721    0.2242    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4342    1.9242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8618    1.9760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7859   -0.5585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2555    0.4863    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6204   -0.5585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6583    0.4863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3997    2.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8342    2.8035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3756   -1.2723    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1066   -1.2240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1066    3.1898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4486   -1.2723    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2762   -1.2723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4486   -0.4447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4486   -2.0965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6865   -0.5516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6865   -1.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5175   -0.5516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5175   -1.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9279   -1.2723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7555   -1.2723    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  9 14  1  0  0  0  0
 11 15  2  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 16 19  2  0  0  0  0
 17 20  2  0  0  0  0
 17 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
 24 25  1  0  0  0  0
  7  9  2  0  0  0  0
 12 15  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (2,707)
2707

>  <Formula> (2,707)
C17H16FN3O3S

>  <MolWeight> (2,707)
361.3906432

>  <COMPOUND_NAME> (2,707)
WAY-229664

>  <BAR_CODE_NO> (2,707)
3915943

$$$$
WAY-117338
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
    4.5820    5.2465    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7802    4.1010    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.9337    4.8798    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6430    2.9861    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9795    3.4443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7266    6.3919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4208    4.5210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4208    5.9186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4448    6.3232    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1174    2.6346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0704    7.7285    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9935    3.0548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2536    1.6725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9019    1.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4972    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2143    3.8108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2143    6.6288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.5210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.9186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9  1  1  0  0  0  0
 10  5  2  0  0  0  0
 11  6  2  0  0  0  0
 12  2  1  0  0  0  0
 13  4  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16  7  1  0  0  0  0
 17  8  1  0  0  0  0
 18 16  2  0  0  0  0
 19 17  2  0  0  0  0
  7  8  2  0  0  0  0
  4  5  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (2,708)
2708

>  <Formula> (2,708)
C13H12N2O4

>  <MolWeight> (2,708)
260.24538

>  <COMPOUND_NAME> (2,708)
WAY-117338

>  <BAR_CODE_NO> (2,708)
3914799

$$$$
WAY-239297
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
    6.6694    7.5032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5917    8.6546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0853    7.5032    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9813    6.2858    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7582    7.5032    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9813    8.7076    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7582    9.7794    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.7737    6.2858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6694    5.0817    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.9813    3.7450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0853    5.0817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6694    2.5407    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4216    7.9399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4216    9.3427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0853    2.5407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5917    3.7450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2423    6.2858    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7737    1.3497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9399    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2172    7.2387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2172   10.0439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7737    3.7450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1631    1.3497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.9399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.3427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1631    3.7450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8777    2.5407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  6  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  2  2  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  3  1  0  0  0  0
  9  4  1  0  0  0  0
 10  9  1  0  0  0  0
 11  9  1  0  0  0  0
 12 10  1  0  0  0  0
 13  5  1  0  0  0  0
 14  7  1  0  0  0  0
 15 12  1  0  0  0  0
 16 10  2  0  0  0  0
 17  8  2  0  0  0  0
 18 15  2  0  0  0  0
 19 18  1  0  0  0  0
 20 13  1  0  0  0  0
 21 14  1  0  0  0  0
 22 15  1  0  0  0  0
 23 18  1  0  0  0  0
 24 20  2  0  0  0  0
 25 21  2  0  0  0  0
 26 22  2  0  0  0  0
 27 26  1  0  0  0  0
  8 11  1  0  0  0  0
 14 13  2  0  0  0  0
 25 24  1  0  0  0  0
 27 23  2  0  0  0  0
M  END
>  <Mol_ID> (2,709)
2709

>  <Formula> (2,709)
C18H14ClN5O2S

>  <MolWeight> (2,709)
399.85406

>  <COMPOUND_NAME> (2,709)
WAY-239297

>  <BAR_CODE_NO> (2,709)
3918021

$$$$
GI-530297
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
    4.0221    0.2114    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0966    1.3798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540    0.8514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2628   -1.2976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    2.7127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6291    1.3798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7655    2.3487    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3387    0.0881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0767   -2.2665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0790    4.0632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3983    2.7303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0117    0.8514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3116   -3.7989    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6115    4.0808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3211    0.0881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0117    2.3839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6540    0.8514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0045    0.2114    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -2.7655    2.3487    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0790    1.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2217   -1.2976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3157    2.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6115    1.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6661   -1.8496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0790    4.0279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3983    2.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9010   -3.3821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6115    4.0279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  2  0  0  0  0
 12 15  2  0  0  0  0
 12 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
 23 26  2  0  0  0  0
 24 27  1  0  0  0  0
 25 28  2  0  0  0  0
  5  7  1  0  0  0  0
 11 14  1  0  0  0  0
 20 22  2  0  0  0  0
 26 28  1  0  0  0  0
M  END
>  <Mol_ID> (2,710)
2710

>  <Formula> (2,710)
C22H23N2O2S2+

>  <MolWeight> (2,710)
411.56022

>  <COMPOUND_NAME> (2,710)
GI-530297

>  <BAR_CODE_NO> (2,710)
3917668

$$$$
WAY-312783
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -1.6655    0.2589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9172    0.2210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1310   -0.3238    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0690    0.8900    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5690   -0.4411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5034    0.8520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8310   -0.0514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7966    0.6969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1793   -0.4790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9793   -1.0790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2483    0.8141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5034   -0.3997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4276    1.0969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5828    0.1486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1276    0.0106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0897    0.7589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4207    0.1727    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8172   -0.4618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5690   -0.4342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4586   -1.1238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9172    0.2210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9586   -1.0721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6690    0.2486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7103   -1.0480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0586   -0.3859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0207    0.9106    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 12 15  2  0  0  0  0
 13 16  2  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  2  0  0  0  0
 23 26  1  0  0  0  0
  7  8  2  0  0  0  0
 11 14  2  0  0  0  0
 15 16  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (2,711)
2711

>  <Formula> (2,711)
C20H13FN2O2S

>  <MolWeight> (2,711)
364.3928232

>  <COMPOUND_NAME> (2,711)
WAY-312783

>  <BAR_CODE_NO> (2,711)
3917490

$$$$
WAY-313221
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -2.5699    0.9447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5699    0.1274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8113    1.1964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2595    1.3412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8113   -0.1243    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2595   -0.2622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3630    0.5550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5561    1.9791    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.9733    0.9447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9733    0.1274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5526    0.5550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1492   -0.1588    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1492    1.2343    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6818   -0.1588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0853   -0.8347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8887   -0.8347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2991   -1.5484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2991   -0.1588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1025   -1.5484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1025   -0.1588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5060   -0.8347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3163   -0.8347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7163   -1.5484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
  5  7  1  0  0  0  0
  9 10  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (2,712)
2712

>  <Formula> (2,712)
C18H16ClNO2S

>  <MolWeight> (2,712)
345.84314

>  <COMPOUND_NAME> (2,712)
WAY-313221

>  <BAR_CODE_NO> (2,712)
3918054

$$$$
WAY-312918
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -2.7653    0.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7653   -1.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5239    0.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8860    0.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5239   -1.4448    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8860   -1.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7653   -0.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1239    1.8966    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -5.0136    0.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0136   -1.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5450   -0.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1968   -1.5241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1968    0.7241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4968   -1.5241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1450   -0.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4657   -0.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4968    0.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1140    0.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1450    1.8655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4657    1.8655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
  5  7  1  0  0  0  0
  9 10  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (2,713)
2713

>  <Formula> (2,713)
C15H15ClN2OS

>  <MolWeight> (2,713)
306.8104

>  <COMPOUND_NAME> (2,713)
WAY-312918

>  <BAR_CODE_NO> (2,713)
3917656

$$$$
WAY-313360
csChFnd80/06171916322D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -0.9793   -0.2588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8793    0.9619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0931   -0.7588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0172   -0.9899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2276    1.4722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2448   -1.9588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1448   -2.1795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3552    0.9895    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3483    2.6688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2517   -2.6968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1552    1.9032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5345    2.9412    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3793   -3.8968    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.3690    1.8032    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  2  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
  7 10  1  0  0  0  0
 11 12  2  0  0  0  0
M  END
>  <Mol_ID> (2,714)
2714

>  <Formula> (2,714)
C10H9ClN2S

>  <MolWeight> (2,714)
224.70986

>  <COMPOUND_NAME> (2,714)
WAY-313360

>  <BAR_CODE_NO> (2,714)
3918243

$$$$
WAY-313218
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.5966    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5138    1.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5966   -0.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3276    1.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4345    0.5207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5138    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3276   -1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2483    0.5207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4345   -0.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3517    1.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2483   -0.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3517   -1.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2724    0.5207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1655   -1.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2724   -0.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1034   -0.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1966   -1.0621    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.0034   -1.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1483    0.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9483   -0.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0655    0.9586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9655    0.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  7 11  1  0  0  0  0
  9 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
  8 11  1  0  0  0  0
 13 15  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (2,715)
2715

>  <Formula> (2,715)
C19H20FNO

>  <MolWeight> (2,715)
297.3666032

>  <COMPOUND_NAME> (2,715)
WAY-313218

>  <BAR_CODE_NO> (2,715)
3918051

$$$$
WAY-250451-A
csChFnd80/06171916322D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -0.6583   -0.3958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6625    0.3667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.0000   -0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9917    0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6667    1.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9917   -1.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3292    0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3292   -0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9917    1.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3250   -2.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6625   -0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6667    0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3292    2.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6667    1.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6625   -1.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  2  0  0  0  0
  7  3  1  0  0  0  0
  8  4  1  0  0  0  0
  9  4  1  0  0  0  0
 10  6  1  0  0  0  0
 11  7  2  0  0  0  0
 12  8  1  0  0  0  0
 13  9  1  0  0  0  0
 14 12  1  0  0  0  0
 15 11  1  0  0  0  0
 14 13  1  0  0  0  0
 15 10  2  0  0  0  0
M  END
>  <Mol_ID> (2,716)
2716

>  <Formula> (2,716)
C14H21N

>  <MolWeight> (2,716)
203.32324

>  <COMPOUND_NAME> (2,716)
WAY-250451-A

>  <BAR_CODE_NO> (2,716)
3916763

$$$$
WAY-313013
csChFnd80/06171916322D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -0.9000    0.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2517    0.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9000   -0.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5586    0.5759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000    0.1931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2517    1.3172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5586   -0.9345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2000    0.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0483    0.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2000   -0.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6897    0.1931    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.8517   -0.9345    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3793    0.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7724   -0.5483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8862   -0.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5034   -0.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  7 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
  8 10  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (2,717)
2717

>  <Formula> (2,717)
C12H14BrNO2

>  <MolWeight> (2,717)
284.14906

>  <COMPOUND_NAME> (2,717)
WAY-313013

>  <BAR_CODE_NO> (2,717)
3917783

$$$$
WAY-312971-A
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    0.7381    0.6583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4554    1.0721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0036    1.0514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7554   -0.1624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4554    1.8997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7067    0.6204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0554   -0.6003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1381    2.2825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7899    2.2859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6722   -0.2141    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1278    3.0514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7761    3.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3964   -0.6175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4554    3.4376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7933    3.4342    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3964   -1.4486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0619   -1.8279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7205   -1.8279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0446   -2.6141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7205   -2.6141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3964   -2.9934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3826   -3.7658    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0446   -4.1658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  8 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
  7 10  1  0  0  0  0
 12 14  2  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (2,718)
2718

>  <Formula> (2,718)
C19H23FN2O

>  <MolWeight> (2,718)
314.3971232

>  <COMPOUND_NAME> (2,718)
WAY-312971-A

>  <BAR_CODE_NO> (2,718)
3917732

$$$$
WAY-312104-A
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -2.4138   -0.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4138   -0.9759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7000    0.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1241    0.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6931   -1.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1241   -1.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9862   -0.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8379   -0.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9793   -0.9690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8379   -0.9828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2759    0.2724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4379   -0.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1586    0.2828    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.8759   -0.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1483    1.1069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5828    0.2862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5828    1.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2966   -0.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2862    1.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0069    0.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0069    1.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (2,719)
2719

>  <Formula> (2,719)
C18H23NO2

>  <MolWeight> (2,719)
285.38072

>  <COMPOUND_NAME> (2,719)
WAY-312104-A

>  <BAR_CODE_NO> (2,719)
3916677

$$$$
WAY-115375-A
csChFnd80/06171916322D

 18 20  0  0  0  0  0  0  0  0999 V2000
    2.2237    1.8065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9410    2.5548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2444    0.3030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2962    2.7996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3314    1.8065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2651    3.9686    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9720   -0.4038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6996    4.1099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3521    0.3444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6142    2.5548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9410   -2.0314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6142    3.9479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4418   -2.8004    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8073   -2.0314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3694   -4.3728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1901   -2.9004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7142   -5.2004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1487   -4.4556    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  7 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (2,720)
2720

>  <Formula> (2,720)
C13H18N2O3

>  <MolWeight> (2,720)
250.29362

>  <COMPOUND_NAME> (2,720)
WAY-115375-A

>  <BAR_CODE_NO> (2,720)
3916782

$$$$
WAY-215206
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
    2.2786    0.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2683   -0.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6269    0.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9924    0.3966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6200   -0.9552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9924   -0.8172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9786    0.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4303   -0.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9786   -0.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3269    0.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3214    0.1724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9731    0.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6214    0.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9731    1.2966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2800    0.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6214   -0.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9214    0.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2800   -0.9621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9214   -0.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5800    0.5448    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (2,721)
2721

>  <Formula> (2,721)
C15H12FNO3

>  <MolWeight> (2,721)
273.2590832

>  <COMPOUND_NAME> (2,721)
WAY-215206

>  <BAR_CODE_NO> (2,721)
3916207

$$$$
CL-406313
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -1.4898   -0.9472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5035   -0.3782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4725   -0.3782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4725   -1.5403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5760   -1.4851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5035    0.7425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4827   -0.9472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4725    0.7425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4725   -2.6127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5760   -2.6127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4898    1.3011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4827    1.3011    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4654   -0.3782    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4827   -2.0506    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4449    1.3011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5242   -3.1713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4898    2.4287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4654    0.7425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4311    2.4287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4449    2.9873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4378    1.2873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3585    0.6908    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3102    1.2356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3378   -0.4506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2447    0.7252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2965   -0.9610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  2  0  0  0  0
  8 15  1  0  0  0  0
  9 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  2  0  0  0  0
 15 19  2  0  0  0  0
 17 20  2  0  0  0  0
 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
  8 11  2  0  0  0  0
 10 16  1  0  0  0  0
 13 18  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (2,722)
2722

>  <Formula> (2,722)
C22H29N3O

>  <MolWeight> (2,722)
351.48516

>  <COMPOUND_NAME> (2,722)
CL-406313

>  <BAR_CODE_NO> (2,722)
3917373

$$$$
WAY-313235
csChFnd80/06171916322D

 24 27  0  0  0  0  0  0  0  0999 V2000
    0.1885    0.0978    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5127    0.0978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6115    1.1564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5977   -0.9987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2334   -1.0470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1851    1.2599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9011    0.7496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2115    2.4702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9011   -0.5884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1770   -2.3229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5989   -1.0470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5472   -2.2436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5782    1.2737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0735    1.4220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0632   -1.2711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2747    0.1082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3092   -2.2194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2437   -3.4194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2425    0.7151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0735    2.7702    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -4.2425   -0.6229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5885   -3.4194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9563    3.5668    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2080    3.5116    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  9 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  2  0  0  0  0
 14 19  2  0  0  0  0
 14 20  1  0  0  0  0
 15 21  2  0  0  0  0
 17 22  2  0  0  0  0
 20 23  2  0  0  0  0
 20 24  1  0  0  0  0
  7  9  2  0  0  0  0
 13 16  2  0  0  0  0
 18 22  1  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <Mol_ID> (2,723)
2723

>  <Formula> (2,723)
C18H10N2O4

>  <MolWeight> (2,723)
318.283

>  <COMPOUND_NAME> (2,723)
WAY-313235

>  <BAR_CODE_NO> (2,723)
3918078

$$$$
WAY-345531
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
    1.2347    0.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2347    0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7761   -0.1347    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6968   -0.1347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7761    0.9274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6968    0.9274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3140    0.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1450    0.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3140    0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1450    0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1343   -0.1347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5929    0.1377    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1343   -0.6623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0550   -0.1347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0550   -0.6623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5032    0.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5032   -0.9243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9653   -0.1347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9653   -0.6623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4239   -0.9243    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 19 20  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (2,724)
2724

>  <Formula> (2,724)
C16H11ClN2O

>  <MolWeight> (2,724)
282.72434

>  <COMPOUND_NAME> (2,724)
WAY-345531

>  <BAR_CODE_NO> (2,724)
2555782

$$$$
GI-560708
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
    2.1705    0.2008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4222   -0.1785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8912   -0.2406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1808    1.0180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3739   -1.0095    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7360    0.2698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6049    0.1767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9049    1.4215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6394   -1.3889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6153    1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0468   -0.9371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5912   -2.2061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3394    1.4215    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7847   -1.3164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1433   -2.5854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4813   -0.8544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8295   -2.1475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4364   -0.0268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1226    0.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6985    0.3525    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0744    1.2560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8571    0.0456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7640    1.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5468    0.4836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4985    1.3249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1847    1.7870    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 19 22  2  0  0  0  0
 21 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
  8 10  2  0  0  0  0
 15 17  2  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (2,725)
2725

>  <Formula> (2,725)
C20H18N4O2

>  <MolWeight> (2,725)
346.38252

>  <COMPOUND_NAME> (2,725)
GI-560708

>  <BAR_CODE_NO> (2,725)
3917693

$$$$
WAY-313051
csChFnd80/06171916322D

 28 30  0  0  0  0  0  0  0  0999 V2000
    1.1899   -1.3734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0657   -0.8355    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3416   -0.8665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1899   -2.3631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9002   -0.3010    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5278    0.0093    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6037   -1.7114    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5067   -1.3734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3416   -2.8700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0657   -2.8700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8554    0.6886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7899   -0.7527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3515   -0.8665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5067   -2.3907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6899    1.2404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6347   -0.2148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3653    0.1507    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2412   -1.3321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5795    0.7886    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2274    0.6335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2274    1.6335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1032    0.1231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0895    2.1438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9791    0.6335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9791    1.6335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0757    3.1335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2136    3.6404    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9101    3.6679    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  2  0  0  0  0
 15 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
  9 14  2  0  0  0  0
 16 19  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (2,726)
2726

>  <Formula> (2,726)
C19H20N2O6S

>  <MolWeight> (2,726)
404.4369

>  <COMPOUND_NAME> (2,726)
WAY-313051

>  <BAR_CODE_NO> (2,726)
3917831

$$$$
WAY-312271
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -1.1074    1.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5833    1.5927    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3936    2.8548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3936    0.3513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9971    1.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5833    3.0582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5833    0.1479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0685    2.8548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0305    0.3513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7453    2.8548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7074    0.3513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7443    1.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1764    2.8548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1764    0.3513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2098    1.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8936    1.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9512    0.3134    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9271    2.8548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2098   -0.9521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9512   -2.2142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7443   -0.9521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2098   -3.4866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0305   -2.1797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7443   -3.4866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9271   -4.7521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2098   -5.9797    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3823   -4.7521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
  9 12  2  0  0  0  0
 14 16  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (2,727)
2727

>  <Formula> (2,727)
C20H15NO5S

>  <MolWeight> (2,727)
381.4018

>  <COMPOUND_NAME> (2,727)
WAY-312271

>  <BAR_CODE_NO> (2,727)
3916881

$$$$
WAY-345231
csChFnd80/06171916322D

 30 32  0  0  0  0  0  0  0  0999 V2000
   15.0167   -4.9375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.0667   -3.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0375   -4.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0167   -5.9292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0042   -3.9625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6417   -4.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0375   -3.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6125   -2.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1042   -4.9625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -4.9292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4000   -4.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1000   -3.2667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5417   -4.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5542   -5.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5542   -2.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5417   -4.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1292   -1.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5875   -2.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0875   -4.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1292   -3.2792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6292   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1542   -3.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5417   -0.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5625   -4.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5750   -5.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6292   -4.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5750   -2.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0250   -1.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6125   -0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0417    0.1833    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  1  2  0  0  0  0
  6  9  1  0  0  0  0
  7 15  2  0  0  0  0
  8  2  1  0  0  0  0
  9 19  1  0  0  0  0
 10  1  1  0  0  0  0
 11  2  2  0  0  0  0
 12  6  2  0  0  0  0
 13  3  1  0  0  0  0
 14  3  2  0  0  0  0
 15 27  1  0  0  0  0
 16 26  2  0  0  0  0
 17  8  2  0  0  0  0
 18  8  1  0  0  0  0
 19 25  2  0  0  0  0
 20 21  1  0  0  0  0
 21  6  1  0  0  0  0
 22 20  1  0  0  0  0
 23 28  1  0  0  0  0
 24 13  2  0  0  0  0
 25 14  1  0  0  0  0
 26 22  1  0  0  0  0
 27 22  2  0  0  0  0
 28 18  2  0  0  0  0
 29 17  1  0  0  0  0
 30 23  1  0  0  0  0
 24 19  1  0  0  0  0
  7 16  1  0  0  0  0
 23 29  2  0  0  0  0
M  END
>  <Mol_ID> (2,728)
2728

>  <Formula> (2,728)
C21H17FN2O5S

>  <MolWeight> (2,728)
428.4334832

>  <COMPOUND_NAME> (2,728)
WAY-345231

>  <BAR_CODE_NO> (2,728)
2554395

$$$$
WAY-223149
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    2.1043    0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1043    0.8081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4698   -0.3092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7940   -0.3057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4422    1.1908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7526    1.1977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8112    0.0632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4250    0.0770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8215    0.7943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4250    0.8184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7526    1.9529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1422   -0.3299    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0871   -0.2885    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5440    0.0356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1750   -0.3471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8647    0.0253    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1750   -1.0816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4992   -0.3506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1681    0.0219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4992   -1.0954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8095   -0.3609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1371   -1.4885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8095   -1.1057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4509    0.0115    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
 21 24  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (2,729)
2729

>  <Formula> (2,729)
C18H14ClNO4

>  <MolWeight> (2,729)
343.76106

>  <COMPOUND_NAME> (2,729)
WAY-223149

>  <BAR_CODE_NO> (2,729)
3917453

$$$$
WAY-312880
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -1.0843    0.1752    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0843   -0.7283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0429    0.1752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8498    0.6269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8498   -1.1800    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0429   -0.7283    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0429    1.0786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7226   -0.2766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6118    0.1752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8498    1.6338    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6118   -0.7283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0019   -0.2421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7226    1.5303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4882    0.1752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3774    0.6269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3774   -1.1800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0157   -0.7283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4882    1.0786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1429    0.1752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1429   -0.7283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0157    0.1752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7813   -1.1800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7813    0.6269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5468   -0.7283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5468    0.1752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 13 18  1  0  0  0  0
 15 19  2  0  0  0  0
 16 20  2  0  0  0  0
 17 21  1  0  0  0  0
 17 22  2  0  0  0  0
 21 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
  9 11  2  0  0  0  0
 14 18  2  0  0  0  0
 19 20  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (2,730)
2730

>  <Formula> (2,730)
C21H16N2OS

>  <MolWeight> (2,730)
344.42954

>  <COMPOUND_NAME> (2,730)
WAY-312880

>  <BAR_CODE_NO> (2,730)
3917608

$$$$
WAY-345438
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -3.0333    5.7292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3875    5.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0333    6.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7458    5.7292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3958    6.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    6.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3875    5.1042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6708    5.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7375    2.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1614    6.6440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7375    3.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6750    5.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3125    5.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7375    3.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7417    4.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7417    4.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3958    6.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9583    5.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3208    4.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9500    5.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3792    3.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0917    3.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3792    4.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1000    4.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1125    6.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958    4.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7583    6.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1125    6.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7270    3.9841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  2  0  0  0  0
  7  2  1  0  0  0  0
  8  1  1  0  0  0  0
  9 11  3  0  0  0  0
 10  3  2  0  0  0  0
 11 14  1  0  0  0  0
 12  8  2  0  0  0  0
 13  8  1  0  0  0  0
 14 22  1  0  0  0  0
 15  7  1  0  0  0  0
 16 15  1  0  0  0  0
 17  5  1  0  0  0  0
 18 20  1  0  0  0  0
 19 12  1  0  0  0  0
 20 13  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 16  2  0  0  0  0
 24 16  1  0  0  0  0
 25  6  1  0  0  0  0
 26 18  1  0  0  0  0
 27 26  1  0  0  0  0
 28 17  2  0  0  0  0
 29 28  1  0  0  0  0
 30 27  1  0  0  0  0
 18 19  2  0  0  0  0
  4  6  1  0  0  0  0
 29 25  2  0  0  0  0
 14 21  2  0  0  0  0
M  END
>  <Mol_ID> (2,731)
2731

>  <Formula> (2,731)
C24H19N3O2S

>  <MolWeight> (2,731)
413.49156

>  <COMPOUND_NAME> (2,731)
WAY-345438

>  <BAR_CODE_NO> (2,731)
2555647

$$$$
WAY-312443
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
    1.7417   -0.2788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5658   -0.2788    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3279   -0.9892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3279    0.4350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3934   -0.2788    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5658   -1.1029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5658    0.5488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4969   -0.9892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4969    0.4350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8037   -0.9892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0831   -0.2788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6072   -1.1650    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3934   -1.7029    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7411   -0.2788    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6969   -1.9788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9451   -2.3236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1549    0.4350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9790    0.4350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7411    1.1522    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3928    1.1488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2204    1.1488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6342    0.4350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6342    1.8591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4652    0.4350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4652    1.8591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8790    1.1488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7031    1.1591    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
  9 11  2  0  0  0  0
 15 16  2  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <Mol_ID> (2,732)
2732

>  <Formula> (2,732)
C17H14FN3O4S2

>  <MolWeight> (2,732)
407.4391632

>  <COMPOUND_NAME> (2,732)
WAY-312443

>  <BAR_CODE_NO> (2,732)
3917080

$$$$
WAY-314237
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
    1.6517   -0.1037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4759    0.0204    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3517   -0.8727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1379    0.5342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000    0.1376    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6000   -0.8037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3586    0.8376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5379   -1.0003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3241    0.4100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8138   -0.5106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0207   -0.3520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6724   -1.3175    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6241   -0.3900    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8034   -0.4796    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4000   -1.7037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9897   -1.1382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3172    0.1721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1379    0.0514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0103    0.9342    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6483    0.6997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4621    0.5894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9655    1.2376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7759   -0.1727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7862    1.1273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6621    2.0100    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5897   -0.2900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1000    0.3721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 23 26  2  0  0  0  0
 24 27  2  0  0  0  0
  9 11  2  0  0  0  0
 15 16  2  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (2,733)
2733

>  <Formula> (2,733)
C17H14FN3O4S2

>  <MolWeight> (2,733)
407.4391632

>  <COMPOUND_NAME> (2,733)
WAY-314237

>  <BAR_CODE_NO> (2,733)
1363883

$$$$
WL-47664
csChFnd80/06171916322D

 30 32  0  0  0  0  0  0  0  0999 V2000
    8.5480    6.8836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3103    6.6980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6968    6.2405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6317    7.3889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9061    6.0255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9061    7.3706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1010    5.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1184    6.9131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0288    7.8627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3808    7.6746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0941    6.0255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4751    5.2614    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1186    7.3880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3103    8.0605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9268    5.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6312    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9443    6.9131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7386    7.6379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1229    8.6572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4958    8.4691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7317    6.7155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3520    6.2231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8581    8.9604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4042    5.9558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    7.0326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1604    6.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7562    5.4983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9418    9.7515    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    9.6770   10.0720    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3146   10.2254    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
  6 13  1  0  0  0  0
  6 14  2  0  0  0  0
  7 15  1  0  0  0  0
  7 16  2  0  0  0  0
  8 17  1  0  0  0  0
  8 18  2  0  0  0  0
  9 19  2  0  0  0  0
 10 20  1  0  0  0  0
 11 21  1  0  0  0  0
 15 22  1  0  0  0  0
 19 23  1  0  0  0  0
 21 24  1  0  0  0  0
 21 25  1  0  0  0  0
 22 26  1  0  0  0  0
 22 27  1  0  0  0  0
 23 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 13 21  1  0  0  0  0
 17 22  1  0  0  0  0
 20 23  2  0  0  0  0
M  END
>  <Mol_ID> (2,734)
2734

>  <Formula> (2,734)
C23H27NO6

>  <MolWeight> (2,734)
413.46358

>  <COMPOUND_NAME> (2,734)
WL-47664

>  <BAR_CODE_NO> (2,734)
3915596

$$$$
CL-435077
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.3347   -0.0690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1588   -0.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1446   -0.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1515    0.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5692    0.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5761   -0.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9308   -0.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0692   -1.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9412    0.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0554    1.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3899    0.6621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1519    1.3690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4002   -0.7724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6412   -0.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6619    0.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8105   -0.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3619   -0.5069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6446   -1.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3688    0.3138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6688    1.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  9 15  1  0  0  0  0
 11 16  1  0  0  0  0
 14 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 19  2  0  0  0  0
 15 20  1  0  0  0  0
  7  9  1  0  0  0  0
 13 16  2  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (2,735)
2735

>  <Formula> (2,735)
C16H18N4

>  <MolWeight> (2,735)
266.34092

>  <COMPOUND_NAME> (2,735)
CL-435077

>  <BAR_CODE_NO> (2,735)
3916016

$$$$
WAY-310690-A
csChFnd80/06171916322D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -0.9450    0.3598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6795    0.8012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9450   -0.5195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1553    0.8288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4415    0.3598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6795   -0.9574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792    0.3908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1553    1.7081    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4691   -0.5195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3412    0.8288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2622   -0.9574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0723    0.3736    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9657   -0.4885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0136   -0.4471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8067    0.8598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7553   -0.8988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5861   -1.0747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6412    0.5805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4792   -0.9574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9343   -0.2712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
  6  9  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (2,736)
2736

>  <Formula> (2,736)
C17H25NO2

>  <MolWeight> (2,736)
275.3859

>  <COMPOUND_NAME> (2,736)
WAY-310690-A

>  <BAR_CODE_NO> (2,736)
3914939

$$$$
WAY-311618
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
    0.1517    0.2793    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.8621   -0.1241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1517    1.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5655   -0.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8621   -0.9483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5724    0.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5724    1.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4345    1.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5586   -0.9483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2759    0.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5724   -1.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1414   -1.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2897   -0.1345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2862    1.5241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2345    1.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2241    2.4862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2724   -1.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9897   -0.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5759   -2.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1414   -2.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0345    1.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0241    0.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4345    2.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9862   -0.9586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8621   -2.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
  6 13  2  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  2  0  0  0  0
  9 17  2  0  0  0  0
 10 18  1  0  0  0  0
 11 19  2  0  0  0  0
 12 20  1  0  0  0  0
 15 21  1  0  0  0  0
 15 22  1  0  0  0  0
 15 23  1  0  0  0  0
 17 24  1  0  0  0  0
 19 25  1  0  0  0  0
  6  7  1  0  0  0  0
 18 24  2  0  0  0  0
 20 25  2  0  0  0  0
M  END
>  <Mol_ID> (2,737)
2737

>  <Formula> (2,737)
C21H21NO3

>  <MolWeight> (2,737)
335.39634

>  <COMPOUND_NAME> (2,737)
WAY-311618

>  <BAR_CODE_NO> (2,737)
3916048

$$$$
WAY-313050
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    5.9740   -4.3110    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5200   -3.4675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4195   -3.4840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8315   -4.3110    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5200   -6.7925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1080   -4.3110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9740   -5.9740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1340   -5.1470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1080   -5.9490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5715   -4.3445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2600   -5.1470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4195   -1.8380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7055   -4.3110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -5.1720    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1340   -6.8175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6635   -7.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6625   -3.4840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2600   -6.7925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5715   -2.6820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6625   -6.7925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2340   -4.3110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2340   -5.9740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  7  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8 13  2  0  0  0  0
  9  5  1  0  0  0  0
 10  8  1  0  0  0  0
 11  4  1  0  0  0  0
 12  3  2  0  0  0  0
 13 11  1  0  0  0  0
 14 10  2  0  0  0  0
 15 16  2  0  0  0  0
 16 18  1  0  0  0  0
 17  6  2  0  0  0  0
 18 11  2  0  0  0  0
 19 10  1  0  0  0  0
 20  9  2  0  0  0  0
 21 17  1  0  0  0  0
 22 20  1  0  0  0  0
  6  9  1  0  0  0  0
 21 22  2  0  0  0  0
 15  8  1  0  0  0  0
M  END
>  <Mol_ID> (2,738)
2738

>  <Formula> (2,738)
C17H15NO4

>  <MolWeight> (2,738)
297.3053

>  <COMPOUND_NAME> (2,738)
WAY-313050

>  <BAR_CODE_NO> (2,738)
3917830

$$$$
WAY-312460
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
   12.2165   -4.0430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2570   -5.6920    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1705   -4.5890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2570   -4.5890    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.3245   -6.2270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1030   -4.0430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2165   -2.9510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3080   -4.0430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0460   -4.5890    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3705   -5.6975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3245   -7.3300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1030   -2.9510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1705   -2.4045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3705   -4.6055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3080   -2.9615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1705   -5.6755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3540   -2.4215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4055   -4.0595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4055   -2.9615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -4.0430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2735   -7.8760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3815   -7.8815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0460   -2.4045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4180   -2.4215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -2.9510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2900   -8.9570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3815   -8.9735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3305   -9.5140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  2  0  0  0  0
  7  1  2  0  0  0  0
  8  4  1  0  0  0  0
  9  6  1  0  0  0  0
 10  5  2  0  0  0  0
 11  5  1  0  0  0  0
 12 13  2  0  0  0  0
 13  7  1  0  0  0  0
 14  8  2  0  0  0  0
 15  8  1  0  0  0  0
 16  3  1  0  0  0  0
 17 15  2  0  0  0  0
 18 14  1  0  0  0  0
 19 17  1  0  0  0  0
 20  9  2  0  0  0  0
 21 11  1  0  0  0  0
 22 11  2  0  0  0  0
 23 12  1  0  0  0  0
 24 19  1  0  0  0  0
 25 23  2  0  0  0  0
 26 21  2  0  0  0  0
 27 22  1  0  0  0  0
 28 27  2  0  0  0  0
  6 12  1  0  0  0  0
 20 25  1  0  0  0  0
 18 19  2  0  0  0  0
 28 26  1  0  0  0  0
M  END
>  <Mol_ID> (2,739)
2739

>  <Formula> (2,739)
C24H20N2O2

>  <MolWeight> (2,739)
368.4278

>  <COMPOUND_NAME> (2,739)
WAY-312460

>  <BAR_CODE_NO> (2,739)
3917099

$$$$
WAY-312462
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
    0.4720  -12.9755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0535  -13.8770    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9940  -13.2735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0535  -13.2630    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.5820  -14.1755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5160  -12.9755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4720  -12.3685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5715  -12.9645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0450  -13.2735    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1075  -13.8700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5930  -14.7825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5160  -12.3685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9940  -12.0700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0935  -13.2630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5715  -12.3575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9940  -13.8770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6260  -12.3575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1040  -12.0595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6260  -12.9645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1475  -12.0560    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.5595  -12.9755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1185  -15.0805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0605  -15.0840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0450  -12.0700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5595  -12.3790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0605  -15.6910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1185  -15.6910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5965  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  2  0  0  0  0
  7  1  2  0  0  0  0
  8  4  1  0  0  0  0
  9  6  1  0  0  0  0
 10  5  2  0  0  0  0
 11  5  1  0  0  0  0
 12 13  2  0  0  0  0
 13  7  1  0  0  0  0
 14  8  2  0  0  0  0
 15  8  1  0  0  0  0
 16  3  1  0  0  0  0
 17 18  1  0  0  0  0
 18 15  2  0  0  0  0
 19 14  1  0  0  0  0
 20 17  1  0  0  0  0
 21  9  2  0  0  0  0
 22 11  2  0  0  0  0
 23 11  1  0  0  0  0
 24 12  1  0  0  0  0
 25 24  2  0  0  0  0
 26 23  2  0  0  0  0
 27 22  1  0  0  0  0
 28 26  1  0  0  0  0
  6 12  1  0  0  0  0
 19 17  2  0  0  0  0
 21 25  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <Mol_ID> (2,740)
2740

>  <Formula> (2,740)
C23H17ClN2O2

>  <MolWeight> (2,740)
388.84628

>  <COMPOUND_NAME> (2,740)
WAY-312462

>  <BAR_CODE_NO> (2,740)
3917101

$$$$
CL-400152
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -0.2942    0.5602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1838    0.0705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2942    1.6947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6921   -0.0088    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2183   -1.7053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2493    0.5602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2631    2.2636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6921    2.2636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6679    0.5602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2459   -2.2915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2493    1.6947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2321   -0.0088    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.2597    3.3981    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.6679    1.6947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8265   -1.8053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2735   -3.4260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8265   -0.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8127   -2.3743    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.7886   -0.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7886   -1.8053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  2  0  0  0  0
 10 15  1  0  0  0  0
 10 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
  7 11  1  0  0  0  0
  9 14  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (2,741)
2741

>  <Formula> (2,741)
C14H7Cl2NO2S

>  <MolWeight> (2,741)
324.18188

>  <COMPOUND_NAME> (2,741)
CL-400152

>  <BAR_CODE_NO> (2,741)
3915303

$$$$
WAY-312550
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
   -0.0379    0.0241    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.6793    0.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7586    0.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0414   -0.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3931    0.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6793    1.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7586    1.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4793    0.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7586   -1.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1069    0.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3897   -0.8103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3897    1.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4793    1.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0517    1.6862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1966    0.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7655   -2.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4759   -0.7931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1103    1.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8172    0.0172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1966    1.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0517    2.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4793   -2.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0586   -2.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8207    1.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5310    0.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9138    1.6759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4862   -3.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0586   -3.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5345    1.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6276    1.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7759   -3.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  2  0  0  0  0
  9 16  1  0  0  0  0
  9 17  2  0  0  0  0
 10 18  1  0  0  0  0
 10 19  2  0  0  0  0
 13 20  2  0  0  0  0
 14 21  1  0  0  0  0
 16 22  2  0  0  0  0
 16 23  1  0  0  0  0
 18 24  2  0  0  0  0
 19 25  1  0  0  0  0
 20 26  1  0  0  0  0
 22 27  1  0  0  0  0
 23 28  2  0  0  0  0
 24 29  1  0  0  0  0
 26 30  1  0  0  0  0
 27 31  2  0  0  0  0
 12 18  1  0  0  0  0
 15 20  1  0  0  0  0
 25 29  2  0  0  0  0
 28 31  1  0  0  0  0
M  END
>  <Mol_ID> (2,742)
2742

>  <Formula> (2,742)
C25H22N2O4

>  <MolWeight> (2,742)
414.45318

>  <COMPOUND_NAME> (2,742)
WAY-312550

>  <BAR_CODE_NO> (2,742)
3917204

$$$$
WAY-311318
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
    0.6241    0.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000    0.3586    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.1379    0.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6276    1.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4069    0.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0966   -0.2310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6448    0.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1345   -0.2310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1379    1.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4069    1.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9172    0.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4172   -0.5207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6448    1.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1586    0.3552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9172    1.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4276    0.6621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4207   -1.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9276   -0.2241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1621    1.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6690    0.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4276    1.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9379   -1.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6724    1.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9448    1.5517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9448   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9448    2.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4345   -2.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4586   -2.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4483   -2.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4690   -2.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9621   -3.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
 10 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 12 18  2  0  0  0  0
 13 19  1  0  0  0  0
 14 20  2  0  0  0  0
 15 21  1  0  0  0  0
 17 22  1  0  0  0  0
 19 23  2  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  2  0  0  0  0
 25 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 30  2  0  0  0  0
 29 31  2  0  0  0  0
  9 13  2  0  0  0  0
 16 21  2  0  0  0  0
 20 23  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (2,743)
2743

>  <Formula> (2,743)
C26H24N2O3

>  <MolWeight> (2,743)
412.48036

>  <COMPOUND_NAME> (2,743)
WAY-311318

>  <BAR_CODE_NO> (2,743)
3915690

$$$$
WAY-310585
csChFnd80/06171916322D

 29 31  0  0  0  0  0  0  0  0999 V2000
    1.3000    1.9172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0862    2.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3000    1.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5138    2.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0862    3.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8517    1.9172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6103    0.6276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0862    0.5793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5138    3.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3000    3.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8517    3.6897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6172    2.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0862    1.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6517   -0.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8586    4.5828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7690    0.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0207   -0.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7379   -0.1966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4000   -0.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3724   -1.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1724   -0.1483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1103   -1.9586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1724   -2.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9862   -3.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4276   -3.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0724   -4.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5034   -4.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3483   -4.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4517   -5.5448    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  2  0  0  0  0
 26 28  2  0  0  0  0
 28 29  1  0  0  0  0
  9 10  2  0  0  0  0
 17 18  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (2,744)
2744

>  <Formula> (2,744)
C21H23ClN2O5

>  <MolWeight> (2,744)
418.87072

>  <COMPOUND_NAME> (2,744)
WAY-310585

>  <BAR_CODE_NO> (2,744)
3914819

$$$$
WAY-312464
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -2.3155   -8.4305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8610   -9.2715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7995   -9.2715    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.5935   -8.4405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2740   -8.4105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8195  -10.9340    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2740  -11.7650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7285   -5.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3155   -6.7680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2740   -6.7185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1830   -6.7385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0480   -9.2715    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0845   -4.2450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4295   -5.6205    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7570   -4.0770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7285   -9.2615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7285  -10.9340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5935   -6.7485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8610   -5.9170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1830   -8.4105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8610  -10.9635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2740  -13.4570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5030   -8.4305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7285  -14.3080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0480   -5.9170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7285  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1830  -13.4570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5030   -6.7680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  3  1  0  0  0  0
  7  6  1  0  0  0  0
  8 10  2  0  0  0  0
  9  1  2  0  0  0  0
 10  5  1  0  0  0  0
 11 20  2  0  0  0  0
 12  4  1  0  0  0  0
 13  8  1  0  0  0  0
 14 11  1  0  0  0  0
 15 13  1  0  0  0  0
 16  5  2  0  0  0  0
 17  7  2  0  0  0  0
 18 19  2  0  0  0  0
 19  9  1  0  0  0  0
 20 16  1  0  0  0  0
 21  2  1  0  0  0  0
 22  7  1  0  0  0  0
 23 12  2  0  0  0  0
 24 22  1  0  0  0  0
 25 18  1  0  0  0  0
 26 24  1  0  0  0  0
 27 24  1  0  0  0  0
 28 25  2  0  0  0  0
 18  4  1  0  0  0  0
 28 23  1  0  0  0  0
 11  8  1  0  0  0  0
 15 14  1  0  0  0  0
M  END
>  <Mol_ID> (2,745)
2745

>  <Formula> (2,745)
C22H22N2O4

>  <MolWeight> (2,745)
378.42108

>  <COMPOUND_NAME> (2,745)
WAY-312464

>  <BAR_CODE_NO> (2,745)
3917103

$$$$
WAY-312465
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
    7.1315   -6.0420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0630   -7.1570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2255   -7.1700    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.9690   -6.0420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1315   -3.8510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9690   -3.8510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0630   -2.7360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3065   -6.0680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2125   -9.3875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4005   -2.7615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3065   -3.8510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2805  -10.4635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8750   -7.1570    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5055   -3.8640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9075   -0.5965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1650   -2.3860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2705   -0.3890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4005   -7.1700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3745   -9.3485    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5055   -6.0680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0630   -9.3485    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0630   -0.5445    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.8750   -2.7360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2805  -12.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7810   -6.0420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3355  -13.7830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7810   -3.8510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3355  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  5  2  0  0  0  0
  8  3  1  0  0  0  0
  9  3  1  0  0  0  0
 10 11  2  0  0  0  0
 11  8  1  0  0  0  0
 12  9  1  0  0  0  0
 13  4  2  0  0  0  0
 14 20  2  0  0  0  0
 15 10  1  0  0  0  0
 16 14  1  0  0  0  0
 17 15  1  0  0  0  0
 18  8  2  0  0  0  0
 19 12  2  0  0  0  0
 20 18  1  0  0  0  0
 21  2  1  0  0  0  0
 22  7  1  0  0  0  0
 23  6  2  0  0  0  0
 24 12  1  0  0  0  0
 25 13  1  0  0  0  0
 26 24  1  0  0  0  0
 27 23  1  0  0  0  0
 28 26  1  0  0  0  0
  4  6  1  0  0  0  0
 27 25  2  0  0  0  0
 14 10  1  0  0  0  0
 17 16  1  0  0  0  0
M  END
>  <Mol_ID> (2,746)
2746

>  <Formula> (2,746)
C21H19ClN2O4

>  <MolWeight> (2,746)
398.83956

>  <COMPOUND_NAME> (2,746)
WAY-312465

>  <BAR_CODE_NO> (2,746)
3917104

$$$$
WAY-344128
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    8.6667   -4.4667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5625   -4.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6500   -6.1167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4542   -5.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8500   -6.4042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.9500   -8.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6042   -4.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6667   -5.3917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.3125   -7.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4792   -4.6542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1000   -7.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917   -2.2292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.5667   -9.5500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.9000   -9.1250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.8667    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.9625   -3.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2917   -6.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7542   -2.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4917   -6.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9125   -6.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2917   -5.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5167   -3.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6750   -2.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0917   -5.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  9  1  0  0  0  0
  7  2  1  0  0  0  0
  8  4  1  0  0  0  0
  9 11  2  0  0  0  0
 10  7  2  0  0  0  0
 11 19  1  0  0  0  0
 12 18  2  0  0  0  0
 13  6  1  0  0  0  0
 14  6  1  0  0  0  0
 15  6  1  0  0  0  0
 16  1  1  0  0  0  0
 17  8  1  0  0  0  0
 18  7  1  0  0  0  0
 19 17  1  0  0  0  0
 20 21  2  0  0  0  0
 21 24  1  0  0  0  0
 22 10  1  0  0  0  0
 23 12  1  0  0  0  0
 24 19  2  0  0  0  0
  3  5  1  0  0  0  0
 22 23  2  0  0  0  0
  9 20  1  0  0  0  0
M  END
>  <Mol_ID> (2,747)
2747

>  <Formula> (2,747)
C15H12F3N5S

>  <MolWeight> (2,747)
351.3494896

>  <COMPOUND_NAME> (2,747)
WAY-344128

>  <BAR_CODE_NO> (2,747)
2554385

$$$$
GI-559782
csChFnd80/06171916322D

 22 23  0  0  0  0  0  0  0  0999 V2000
    1.5738   -1.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2370   -0.7601    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9241   -0.7601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5738   -3.0985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2370    0.7959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2610   -1.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9241    0.7959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9241   -3.8452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2370   -3.8943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0775    1.5917    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.5738    1.5917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2610   -3.0493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4144    0.7959    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0775    3.0851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6336   -3.7960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1998   -0.7109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7647    1.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3920    3.8943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2952   -1.8332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1999    1.0239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8243   -1.6856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6336   -0.4203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
  8 12  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (2,748)
2748

>  <Formula> (2,748)
C19H30N2O

>  <MolWeight> (2,748)
302.4543

>  <COMPOUND_NAME> (2,748)
GI-559782

>  <BAR_CODE_NO> (2,748)
3915241

$$$$
WAY-215846
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.2333    0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4708    0.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000    0.8625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5125    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4708    3.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8542   -2.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -2.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8000   -0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8542   -1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8000   -3.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4500    1.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4958    1.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4958    2.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4500    2.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5958    0.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5125   -0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9292   -3.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6333    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5625   -1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6333   -0.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  2  1  0  0  0  0
  6 15  1  0  0  0  0
  7  3  1  0  0  0  0
  8 11  1  0  0  0  0
  9  7  2  0  0  0  0
 10  7  1  0  0  0  0
 11 10  2  0  0  0  0
 12  9  1  0  0  0  0
 13  2  1  0  0  0  0
 14  2  1  0  0  0  0
 15 14  1  0  0  0  0
 16 13  1  0  0  0  0
 17  5  2  0  0  0  0
 18  5  1  0  0  0  0
 19  8  1  0  0  0  0
 20 17  1  0  0  0  0
 21 18  2  0  0  0  0
 22 21  1  0  0  0  0
 16  6  1  0  0  0  0
 12  8  2  0  0  0  0
 20 22  2  0  0  0  0
M  END
>  <Mol_ID> (2,749)
2749

>  <Formula> (2,749)
C19H21NO2

>  <MolWeight> (2,749)
295.37554

>  <COMPOUND_NAME> (2,749)
WAY-215846

>  <BAR_CODE_NO> (2,749)
3916386

$$$$
WAY-215845
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.7000    0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9708    0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7125   -0.9875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292    0.7333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0458    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667   -1.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9708    3.3458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5667   -1.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0333    1.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9125    1.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4667   -3.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792   -2.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9125    2.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0333    2.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0458   -1.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1708    0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5667   -2.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6792   -1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1458   -1.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2708    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2708   -1.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7 14  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  2  0  0  0  0
 10  2  1  0  0  0  0
 11  2  1  0  0  0  0
 12 13  1  0  0  0  0
 13  6  2  0  0  0  0
 14 11  1  0  0  0  0
 15 10  1  0  0  0  0
 16  5  1  0  0  0  0
 17  5  2  0  0  0  0
 18 12  2  0  0  0  0
 19  9  1  0  0  0  0
 20 16  2  0  0  0  0
 21 17  1  0  0  0  0
 22 21  2  0  0  0  0
  7 15  1  0  0  0  0
  9 18  1  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (2,750)
2750

>  <Formula> (2,750)
C19H21NO2

>  <MolWeight> (2,750)
295.37554

>  <COMPOUND_NAME> (2,750)
WAY-215845

>  <BAR_CODE_NO> (2,750)
3918239

$$$$
WAY-311388
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -1.4310   -2.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4310   -1.5034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1138   -2.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7207   -2.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4207   -0.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1310   -3.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7724   -2.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7138   -3.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1621   -0.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7000   -0.2379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4207   -3.9552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1621    0.6034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4414    1.0103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7621    0.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4414    1.7966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0793    1.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7621    2.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0793    1.8103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6000    2.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2793    1.8103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9586    2.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6379    1.8103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6379    1.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3207    2.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3207    0.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    1.8103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    1.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  2  0  0  0  0
  8 11  1  0  0  0  0
 17 18  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (2,751)
2751

>  <Formula> (2,751)
C23H29N3O

>  <MolWeight> (2,751)
363.49586

>  <COMPOUND_NAME> (2,751)
WAY-311388

>  <BAR_CODE_NO> (2,751)
3915767

$$$$
GI-566340
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -0.2140    0.2293    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6716   -0.1121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9428   -0.8409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4740    1.6054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7062    1.0040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1456   -1.5697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2730   -0.0255    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.7746   -2.3851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9774    1.4779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3007    2.9763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2045    0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6031   -1.9162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6490   -0.8409    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6785   -0.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9792   -0.0255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6490   -2.3851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2227   -1.0549    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.3093   -0.8409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9792   -3.1598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3093   -2.3851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
 11 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 18 20  1  0  0  0  0
  7  9  1  0  0  0  0
 12 14  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (2,752)
2752

>  <Formula> (2,752)
C14H15BrN2O3

>  <MolWeight> (2,752)
339.1845

>  <COMPOUND_NAME> (2,752)
GI-566340

>  <BAR_CODE_NO> (2,752)
3917976

$$$$
WAY-312888
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.5552    0.4759    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.3931    0.5586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0552   -0.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0552    1.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8931   -0.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7552    1.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7448    0.0379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3379   -1.0414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7448    0.8966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7379   -0.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5931    1.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4828   -0.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4241    1.4207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0759    0.7379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4828   -1.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2069    0.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9379    0.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2069   -1.6621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9448   -0.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9448   -1.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2069   -2.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  9 13  2  0  0  0  0
 10 14  1  0  0  0  0
 12 15  2  0  0  0  0
 12 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  2  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
  7  9  1  0  0  0  0
 11 14  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (2,753)
2753

>  <Formula> (2,753)
C16H21N3O2

>  <MolWeight> (2,753)
287.35684

>  <COMPOUND_NAME> (2,753)
WAY-312888

>  <BAR_CODE_NO> (2,753)
3917617

$$$$
WAY-311581
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
    0.0034   -0.3414    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.7517   -0.3414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1483   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3862    0.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1517   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1517    0.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5379   -0.3414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5379   -1.6897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1379    0.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9241   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9241    0.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2690   -0.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4966    1.0103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3138   -0.3414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6483   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6379    0.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1310   -0.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4172   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4069    0.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5310    0.3586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5310   -0.9897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7966   -0.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3138    0.3586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1241    1.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5483   -0.3414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7138    1.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5310    1.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9172    0.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3138    1.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5276    0.9897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  9 13  2  0  0  0  0
 10 14  1  0  0  0  0
 12 15  2  0  0  0  0
 12 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  2  0  0  0  0
 17 20  1  0  0  0  0
 17 21  2  0  0  0  0
 18 22  2  0  0  0  0
 20 23  2  0  0  0  0
 20 24  1  0  0  0  0
 22 25  1  0  0  0  0
 23 26  1  0  0  0  0
 24 27  2  0  0  0  0
 25 28  1  0  0  0  0
 26 29  2  0  0  0  0
 28 30  1  0  0  0  0
  7  9  1  0  0  0  0
 11 14  1  0  0  0  0
 19 22  1  0  0  0  0
 27 29  1  0  0  0  0
M  END
>  <Mol_ID> (2,754)
2754

>  <Formula> (2,754)
C23H25N3O4

>  <MolWeight> (2,754)
407.4623

>  <COMPOUND_NAME> (2,754)
WAY-311581

>  <BAR_CODE_NO> (2,754)
3915998

$$$$
CL-335819
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -0.0759   -1.2238    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0759   -2.0963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7655   -0.7859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5828   -0.7859    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8345   -2.5238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6655   -2.5135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7655   -0.0963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5862   -1.0859    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5828   -0.0963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3931   -1.0859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8241   -3.3963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6759   -3.3859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5345    0.2969    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3448    0.2969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0759   -3.8342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5759    1.0969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8069    1.4865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3966    1.5244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7655    2.3555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0759    1.0037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0034    2.7451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6931    1.4037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7655    2.2762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5241    2.6658    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.2931    2.2451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6345    3.5141    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  9 14  1  0  0  0  0
 11 15  2  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 17 20  2  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
  7  9  2  0  0  0  0
 12 15  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (2,755)
2755

>  <Formula> (2,755)
C18H16N4O4

>  <MolWeight> (2,755)
352.34404

>  <COMPOUND_NAME> (2,755)
CL-335819

>  <BAR_CODE_NO> (2,755)
3917642

$$$$
WAY-226114
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
    4.7524    5.5401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6428    4.1537    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9549    6.3593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0892    5.5926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2355    4.1537    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.4291    5.9864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0966    3.6024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1799    2.5049    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7156    3.7547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2798    3.1403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4178    6.0652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4170    2.3526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2512    1.5964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1386    7.4043    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3683    5.0360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0022    7.7998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4883    3.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9565    3.4343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7786    1.8117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8379    3.3608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8251    2.2370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0480    2.3736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8229    0.7509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4681    1.0450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6922    3.6286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9872    5.4876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5491    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.5371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6279    2.6939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2941    3.1192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  9  2  0  0  0  0
  8 21  1  0  0  0  0
  9  8  1  0  0  0  0
 10  5  1  0  0  0  0
 11  4  2  0  0  0  0
 12 13  2  0  0  0  0
 13  8  1  0  0  0  0
 14  6  2  0  0  0  0
 15  6  1  0  0  0  0
 16  3  1  0  0  0  0
 17  2  1  0  0  0  0
 18 10  2  0  0  0  0
 19 10  1  0  0  0  0
 20 17  1  0  0  0  0
 21 20  1  0  0  0  0
 22 18  1  0  0  0  0
 23 19  2  0  0  0  0
 24 23  1  0  0  0  0
 25 15  2  0  0  0  0
 26 15  1  0  0  0  0
 27 24  1  0  0  0  0
 28 26  2  0  0  0  0
 29 25  1  0  0  0  0
 30 28  1  0  0  0  0
  2  4  1  0  0  0  0
 30 29  2  0  0  0  0
 22 24  2  0  0  0  0
 12  7  1  0  0  0  0
M  END
>  <Mol_ID> (2,756)
2756

>  <Formula> (2,756)
C24H23N3O3

>  <MolWeight> (2,756)
401.45772

>  <COMPOUND_NAME> (2,756)
WAY-226114

>  <BAR_CODE_NO> (2,756)
3917725

$$$$
CL-393833
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.2384    0.4201    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3798    0.0511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4582   -0.5420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1409    1.5615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3798   -1.1558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4177    0.6511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6444   -0.7316    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2384   -1.5247    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3168    1.8063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4177   -1.7592    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4660    0.0615    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4177    1.8580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3961    0.2097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0788   -1.8420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6961    2.9373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4660   -1.1661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4177   -2.9661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5788    0.0304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2719   -2.0247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8616    3.1718    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9030    3.8373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5212   -1.8006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0133   -1.0834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 10 17  1  0  0  0  0
 13 18  1  0  0  0  0
 14 19  1  0  0  0  0
 15 20  1  0  0  0  0
 15 21  2  0  0  0  0
 16 22  2  0  0  0  0
 18 23  1  0  0  0  0
  5  8  1  0  0  0  0
 11 16  1  0  0  0  0
 19 23  1  0  0  0  0
M  END
>  <Mol_ID> (2,757)
2757

>  <Formula> (2,757)
C14H19N5O4

>  <MolWeight> (2,757)
321.33176

>  <COMPOUND_NAME> (2,757)
CL-393833

>  <BAR_CODE_NO> (2,757)
3915321

$$$$
CL-147688
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
    0.0582    0.2131    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0582   -0.7801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9203    0.7131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8728    0.5200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8728   -1.0801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9203   -1.2594    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7686    0.2131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9203    1.6855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4452   -0.2801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1728   -2.0111    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.7686   -0.7801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8996    1.6855    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.9203    2.6821    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0728    1.6855    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4211   -0.2663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6203   -1.2594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8970    0.5923    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9211   -1.1146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6203   -2.2491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4651   -0.7801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8866    0.6027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3832    1.4304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4651   -2.7284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3168   -1.2594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3728    1.4614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8625    2.2992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3168   -2.2491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8590    2.3131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 11 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 17 22  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  2  0  0  0  0
 21 25  1  0  0  0  0
 22 26  1  0  0  0  0
 23 27  2  0  0  0  0
 25 28  1  0  0  0  0
  5  9  1  0  0  0  0
  7 11  1  0  0  0  0
 24 27  1  0  0  0  0
 26 28  1  0  0  0  0
M  END
>  <Mol_ID> (2,758)
2758

>  <Formula> (2,758)
C18H14ClF3N4O2

>  <MolWeight> (2,758)
410.7775696

>  <COMPOUND_NAME> (2,758)
CL-147688

>  <BAR_CODE_NO> (2,758)
3917652

$$$$
WAY-310422-A
csChFnd80/06171916322D

 26 30  0  0  0  0  0  0  0  0999 V2000
    0.0227    0.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4359    1.0513    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4359   -0.2487    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7882    0.6306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2118    0.7996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0365    1.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2118   -0.0073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1842   -1.0073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917    1.4237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8980    1.1996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8980   -0.4039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7152   -1.6073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4537    1.8754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5980    0.8134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5980   -0.0073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4601   -2.3590    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3917    2.6789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1882    1.5306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9876   -2.9694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3365   -2.5211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0537    3.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8434    1.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7290   -3.7384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6055   -3.2763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7882    2.7996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0641   -3.8866    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  2  0  0  0  0
 11 15  2  0  0  0  0
 12 16  1  0  0  0  0
 13 17  2  0  0  0  0
 13 18  1  0  0  0  0
 16 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  2  0  0  0  0
 19 23  1  0  0  0  0
 20 24  1  0  0  0  0
 21 25  2  0  0  0  0
 23 26  1  0  0  0  0
  5  7  2  0  0  0  0
  6  9  2  0  0  0  0
 14 15  1  0  0  0  0
 22 25  1  0  0  0  0
 24 26  1  0  0  0  0
M  END
>  <Mol_ID> (2,759)
2759

>  <Formula> (2,759)
C21H22N4O

>  <MolWeight> (2,759)
346.42558

>  <COMPOUND_NAME> (2,759)
WAY-310422-A

>  <BAR_CODE_NO> (2,759)
3914636

$$$$
WAY-116358
csChFnd80/06171916322D

 17 19  0  0  0  0  0  0  0  0999 V2000
    4.5393    2.5305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7451    1.3626    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8941    2.4176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7451    3.5855    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4176    1.7752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4176    3.1767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5403    1.1756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2147    1.1056    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6882    3.5855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8952    1.1056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0820    3.4765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7462    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.8761    4.6560    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6893    2.2735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2147    3.8970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  3  1  0  0  0  0
  8  5  1  0  0  0  0
  9  3  2  0  0  0  0
 10  7  2  0  0  0  0
 11  9  1  0  0  0  0
 12  7  1  0  0  0  0
 13 11  1  0  0  0  0
 14 11  2  0  0  0  0
 15  6  1  0  0  0  0
 16  8  2  0  0  0  0
 17 15  2  0  0  0  0
  5  6  2  0  0  0  0
 16 17  1  0  0  0  0
 14 10  1  0  0  0  0
M  END
>  <Mol_ID> (2,760)
2760

>  <Formula> (2,760)
C12H8ClN3O

>  <MolWeight> (2,760)
245.66442

>  <COMPOUND_NAME> (2,760)
WAY-116358

>  <BAR_CODE_NO> (2,760)
3917226

$$$$
WAY-312712
csChFnd80/06171916322D

 33 36  0  0  0  0  0  0  0  0999 V2000
   -0.6207    0.0448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6207   -0.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1966    0.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0414    0.2586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0414   -0.8552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1966   -1.0034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7966    0.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1966    1.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4241   -0.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2621   -1.5414    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.7966   -0.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8966    1.0793    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1966    1.7586    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5207    1.0793    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.1241   -0.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3966   -1.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4621    0.2966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4621   -0.9034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3759   -1.6828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9966   -0.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1414    0.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9759   -2.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5828   -1.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4793    0.8793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4793   -0.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5828   -1.6828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1621    0.8793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1414    1.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1621   -0.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5034    0.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8034    2.0793    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.7414    1.8172    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.5414    1.1448    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 11 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  2  0  0  0  0
 21 24  2  0  0  0  0
 21 25  1  0  0  0  0
 22 26  2  0  0  0  0
 24 27  1  0  0  0  0
 24 28  1  0  0  0  0
 25 29  2  0  0  0  0
 27 30  2  0  0  0  0
 28 31  1  0  0  0  0
 28 32  1  0  0  0  0
 28 33  1  0  0  0  0
  5  9  1  0  0  0  0
  7 11  1  0  0  0  0
 23 26  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (2,761)
2761

>  <Formula> (2,761)
C21H11ClF6N4O

>  <MolWeight> (2,761)
484.7816592

>  <COMPOUND_NAME> (2,761)
WAY-312712

>  <BAR_CODE_NO> (2,761)
3917392

$$$$
CL-200404
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.2409    0.5450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7045   -0.0673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8274    1.2579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0655    0.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0531    0.2657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8788   -0.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0341    1.0836    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2319    1.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4745    1.2669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6543   -1.1132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2709   -1.4171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4856    0.2612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7660   -0.1545    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4856    1.0926    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0543    1.9775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8241   -1.9200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6130   -2.1725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2030   -0.1545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9628    0.1763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2902   -0.9880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5193   -0.4428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1081   -1.1579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  2  0  0  0  0
  8 15  1  0  0  0  0
 10 16  1  0  0  0  0
 16 17  1  0  0  0  0
  5  7  1  0  0  0  0
  9 15  1  0  0  0  0
 13  5  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 22  2  0  0  0  0
 12 18  1  0  0  0  0
M  END
>  <Mol_ID> (2,762)
2762

>  <Formula> (2,762)
C16H17NO4S

>  <MolWeight> (2,762)
319.37548

>  <COMPOUND_NAME> (2,762)
CL-200404

>  <BAR_CODE_NO> (2,762)
3917357

$$$$
WAY-311882
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
    1.8875    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8875   -0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667    0.8958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667   -0.3417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6667    0.7333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6667   -0.5917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1542    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -1.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9250   -1.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500    0.8958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667   -1.5750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1625   -2.0875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2125   -1.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6250   -0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3917   -1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9875   -2.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1542   -0.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667    1.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4500   -0.6417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6292   -2.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2167   -2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3917   -2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2042    0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  7  2  0  0  0  0
 10 11  1  0  0  0  0
 11  8  1  0  0  0  0
 12  5  2  0  0  0  0
 13  6  2  0  0  0  0
 14 10  1  0  0  0  0
 15 17  2  0  0  0  0
 16 15  1  0  0  0  0
 17 18  1  0  0  0  0
 18 14  1  0  0  0  0
 19 10  2  0  0  0  0
 20  3  1  0  0  0  0
 21  4  1  0  0  0  0
 22 16  2  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 18  2  0  0  0  0
 26 16  1  0  0  0  0
  9  8  1  0  0  0  0
  6  4  1  0  0  0  0
 23 15  1  0  0  0  0
M  END
>  <Mol_ID> (2,763)
2763

>  <Formula> (2,763)
C17H17N5O4

>  <MolWeight> (2,763)
355.34798

>  <COMPOUND_NAME> (2,763)
WAY-311882

>  <BAR_CODE_NO> (2,763)
3916404

$$$$
WAY-343590
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
    6.1667   -3.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3750   -3.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8667   -4.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792   -3.7292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3792   -2.9125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3792   -4.8042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5042   -3.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2750   -4.8792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0667   -5.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2125   -2.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1042   -4.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5917   -5.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2792   -5.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6542   -4.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6917   -6.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0667   -6.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7042   -7.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2875   -6.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9042   -7.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7000   -8.3042    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.6625   -2.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2875   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2667   -5.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4542   -5.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9542   -5.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  2  0  0  0  0
  8  3  1  0  0  0  0
  9  8  1  0  0  0  0
 10  5  2  0  0  0  0
 11  4  1  0  0  0  0
 12  6  1  0  0  0  0
 13  9  1  0  0  0  0
 14  9  2  0  0  0  0
 15 13  2  0  0  0  0
 16 13  1  0  0  0  0
 17 18  1  0  0  0  0
 18 16  2  0  0  0  0
 19 15  1  0  0  0  0
 20 17  1  0  0  0  0
 21 10  1  0  0  0  0
 22 11  1  0  0  0  0
 23 12  1  0  0  0  0
 24 23  2  0  0  0  0
 25 22  2  0  0  0  0
 10  7  1  0  0  0  0
 11 12  2  0  0  0  0
 24 25  1  0  0  0  0
 17 19  2  0  0  0  0
M  END
>  <Mol_ID> (2,764)
2764

>  <Formula> (2,764)
C18H14FN5O

>  <MolWeight> (2,764)
335.3350632

>  <COMPOUND_NAME> (2,764)
WAY-343590

>  <BAR_CODE_NO> (2,764)
2554184

$$$$
WAY-311794
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -3.3038    1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0763    1.7966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5073    1.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3038   -0.3207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8142    1.0690    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0418    3.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5073    3.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7452    1.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5073   -1.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4099    0.3103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0901    2.3034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5418   -0.1966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3038    3.9414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7694   -0.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4099   -1.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6444    1.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6134   -1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8755    0.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8479   -1.1414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0789   -1.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0410   -3.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3030   -1.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2755   -3.9828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5065   -1.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5065   -3.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  5 12  2  0  0  0  0
  6 13  1  0  0  0  0
  8 14  2  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  2  0  0  0  0
  7 13  2  0  0  0  0
  9 14  1  0  0  0  0
 18 19  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (2,765)
2765

>  <Formula> (2,765)
C19H19N3O2S

>  <MolWeight> (2,765)
353.43806

>  <COMPOUND_NAME> (2,765)
WAY-311794

>  <BAR_CODE_NO> (2,765)
3916294

$$$$
WAY-310620
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -0.8552    0.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0690    0.0966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8552    1.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5690   -0.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4172    0.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1862   -0.6828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0690    1.4310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5690    1.5931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2759    0.3483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5690   -0.8828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2345    0.7690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3690   -1.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2759    1.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5690    2.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9897   -0.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8241    0.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1138   -2.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9931    1.5862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6103    0.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6103   -0.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6655   -2.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1966   -0.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1862   -1.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9862   -0.9828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5690   -1.5690    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 13 18  2  0  0  0  0
 16 19  1  0  0  0  0
 16 20  2  0  0  0  0
 17 21  1  0  0  0  0
 19 22  2  0  0  0  0
 20 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
  5  7  2  0  0  0  0
  9 13  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (2,766)
2766

>  <Formula> (2,766)
C17H19FN4O3

>  <MolWeight> (2,766)
346.3561632

>  <COMPOUND_NAME> (2,766)
WAY-310620

>  <BAR_CODE_NO> (2,766)
3914858

$$$$
WAY-310410
csChFnd80/06171916322D

 17 19  0  0  0  0  0  0  0  0999 V2000
    0.3621    0.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9345    0.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3621   -0.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0103    0.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9345   -0.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3862    0.9103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2931   -0.6655    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0034   -0.6655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6586    0.4552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0069    1.5862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4103   -0.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1103    0.7931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6586   -0.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1345   -0.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621    0.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3034   -0.6690    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3034   -1.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  8 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
  5  7  1  0  0  0  0
  9 13  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (2,767)
2767

>  <Formula> (2,767)
C12H15N3S2

>  <MolWeight> (2,767)
265.3976

>  <COMPOUND_NAME> (2,767)
WAY-310410

>  <BAR_CODE_NO> (2,767)
3914624

$$$$
WAY-311764
csChFnd80/06171916322D

 22 25  0  0  0  0  0  0  0  0999 V2000
    1.1002   -0.6036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3002   -0.7864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5036   -1.3278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5036    0.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2036   -1.6036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3964   -0.3036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9485   -1.9485    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3485   -1.3278    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3485    0.0998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1002    0.8205    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5481   -1.9519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1481   -0.6519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7485   -0.6036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2519    0.8205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1998   -1.4795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1515    1.5343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9964    1.5343    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3998    2.2515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3998    0.8205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2343    2.2515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2343    0.8205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6481    1.5343    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  8 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
  5  7  1  0  0  0  0
  9 13  1  0  0  0  0
 12 15  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (2,768)
2768

>  <Formula> (2,768)
C16H22N4OS

>  <MolWeight> (2,768)
318.43708

>  <COMPOUND_NAME> (2,768)
WAY-311764

>  <BAR_CODE_NO> (2,768)
3916252

$$$$
WAY-313256
csChFnd80/06171916322D

 32 35  0  0  0  0  0  0  0  0999 V2000
    1.5875   -0.4004    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2324   -0.4004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2117    0.1306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2117   -0.9280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5393    0.1582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5496   -0.9591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5841   -0.0694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4117    0.7547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5841   -0.7211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4117   -1.5418    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1979    0.1582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1979   -0.9591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0220    0.2444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0220   -1.0522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5289   -0.4004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5289    0.7134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5297   -0.0694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5297   -0.7211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2565    1.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1669    0.7134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0952    0.2547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6676   -0.0694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0987    0.9065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2366    0.2547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7987   -0.0694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3504    0.2547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7987   -0.7073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9194   -0.0694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3504    0.9099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4745    0.2547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9194    1.2271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4745    0.9099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  9 14  1  0  0  0  0
 11 15  2  0  0  0  0
 11 16  1  0  0  0  0
 13 17  2  0  0  0  0
 14 18  2  0  0  0  0
 16 19  1  0  0  0  0
 16 20  2  0  0  0  0
 17 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 26 28  1  0  0  0  0
 26 29  2  0  0  0  0
 28 30  2  0  0  0  0
 29 31  1  0  0  0  0
 30 32  1  0  0  0  0
  7  9  2  0  0  0  0
 12 15  1  0  0  0  0
 17 18  1  0  0  0  0
 31 32  2  0  0  0  0
M  END
>  <Mol_ID> (2,769)
2769

>  <Formula> (2,769)
C25H17NO6

>  <MolWeight> (2,769)
427.40558

>  <COMPOUND_NAME> (2,769)
WAY-313256

>  <BAR_CODE_NO> (2,769)
3918103

$$$$
CL-283954
csChFnd80/06171916322D

 18 19  0  0  0  0  0  0  0  0999 V2000
    0.9318    2.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1318    2.0789    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3387    3.1065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3387    1.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7180    1.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8475    3.1065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8613    1.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1318    0.0065    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9180    1.0375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4406    2.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9387    0.0065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3525   -1.0211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8406   -1.0211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4406   -2.0521    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9820   -3.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5958   -2.1521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8820   -3.9314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9095   -3.2728    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
  7 10  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (2,770)
2770

>  <Formula> (2,770)
C13H16N4S

>  <MolWeight> (2,770)
260.35794

>  <COMPOUND_NAME> (2,770)
CL-283954

>  <BAR_CODE_NO> (2,770)
2554698

$$$$
WAY-312833
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -1.0451    0.5655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1244    0.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3831   -0.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6762    1.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1244   -0.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1141    0.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0451   -1.2655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7549   -0.3069    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4342    1.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1141   -1.4862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1037    0.2138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1141    1.9345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3445   -1.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1859    1.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7963    2.9448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1037   -0.9138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1141   -2.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4859   -1.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2963    1.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9169    3.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1141   -1.4655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0445   -0.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0756   -2.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6652    2.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1859   -0.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2238   -2.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7652   -1.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  2  0  0  0  0
 10 16  1  0  0  0  0
 10 17  1  0  0  0  0
 13 18  1  0  0  0  0
 14 19  2  0  0  0  0
 15 20  1  0  0  0  0
 16 21  2  0  0  0  0
 18 22  2  0  0  0  0
 18 23  1  0  0  0  0
 19 24  1  0  0  0  0
 22 25  1  0  0  0  0
 23 26  2  0  0  0  0
 25 27  2  0  0  0  0
  5  7  1  0  0  0  0
 11 16  1  0  0  0  0
 20 24  2  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (2,771)
2771

>  <Formula> (2,771)
C20H18N4O2S

>  <MolWeight> (2,771)
378.44752

>  <COMPOUND_NAME> (2,771)
WAY-312833

>  <BAR_CODE_NO> (2,771)
3917552

$$$$
WAY-118959-A
csChFnd80/06171916322D

 23 26  0  0  0  0  0  0  0  0999 V2000
   -1.3967    0.3094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6717    0.7344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6967    0.0344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1467    0.6386    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2842   -0.6781    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4717   -0.5156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0783    0.3886    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6366    0.9886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5842    1.5386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2158    1.7219    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4467    0.3594    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5509    1.3511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4533    0.9094    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3634    1.1844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7866    0.1511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8509   -1.0656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4491   -1.3614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2991   -0.5114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6033    0.0719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6283   -1.2614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9366   -0.6781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7783   -2.1114    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5991   -2.1989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  7  2  1  0  0  0  0
  8  7  2  0  0  0  0
  9  2  2  0  0  0  0
 10  9  1  0  0  0  0
 11  3  1  0  0  0  0
 12  4  1  0  0  0  0
 13  8  1  0  0  0  0
 14 12  2  0  0  0  0
 15 13  1  0  0  0  0
 16  6  1  0  0  0  0
 17 21  1  0  0  0  0
 18 15  2  0  0  0  0
 19 15  1  0  0  0  0
 20 18  1  0  0  0  0
 21 19  2  0  0  0  0
 22 17  1  0  0  0  0
 23 22  1  0  0  0  0
  3  5  2  0  0  0  0
 14 11  1  0  0  0  0
  8 10  1  0  0  0  0
 20 17  2  0  0  0  0
M  END
>  <Mol_ID> (2,772)
2772

>  <Formula> (2,772)
C16H14N4OS2

>  <MolWeight> (2,772)
342.43856

>  <COMPOUND_NAME> (2,772)
WAY-118959-A

>  <BAR_CODE_NO> (2,772)
3915112

$$$$
WAY-312706
csChFnd80/06171916322D

 29 31  0  0  0  0  0  0  0  0999 V2000
    7.3855   -4.8150    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.4235   -7.2730    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5925   -8.4765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6300  -10.9845    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7365   -7.2350    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2665   -3.5735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6800   -6.5830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5300   -3.5110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3480    1.3415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1910    0.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8560   -8.4390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7490  -12.2005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8935  -10.9465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3730    3.8245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0975   -4.8275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2290   -1.0660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9155   -1.1035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4795    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9155   -3.6115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0595    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6615    1.3040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7805    0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.1850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7490  -14.6835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9495    1.3040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7805   -2.4075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.0940    0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9495   -3.6240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.0940   -2.4075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  1  2  0  0  0  0
  8  1  2  0  0  0  0
  9 10  1  0  0  0  0
 10 17  1  0  0  0  0
 11  5  2  0  0  0  0
 12  4  1  0  0  0  0
 13 11  1  0  0  0  0
 14  9  2  0  0  0  0
 15  6  1  0  0  0  0
 16  6  2  0  0  0  0
 17 20  2  0  0  0  0
 18  9  1  0  0  0  0
 19 15  2  0  0  0  0
 20 16  1  0  0  0  0
 21 18  1  0  0  0  0
 22 21  1  0  0  0  0
 23 11  1  0  0  0  0
 24 12  1  0  0  0  0
 25 22  2  0  0  0  0
 26 22  1  0  0  0  0
 27 25  1  0  0  0  0
 28 26  2  0  0  0  0
 29 28  1  0  0  0  0
 19 17  1  0  0  0  0
 13 12  2  0  0  0  0
 29 27  2  0  0  0  0
M  END
>  <Mol_ID> (2,773)
2773

>  <Formula> (2,773)
C21H22N4O3S

>  <MolWeight> (2,773)
410.48938

>  <COMPOUND_NAME> (2,773)
WAY-312706

>  <BAR_CODE_NO> (2,773)
3917383

$$$$
WAY-345160
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
    9.8667   -5.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6792   -5.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6792   -6.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6417   -6.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9042   -7.2792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6750   -4.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9417   -6.2167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.6542   -3.5292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.4500   -5.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4292   -3.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6792   -4.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2292   -3.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5042   -7.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6667   -7.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2625   -6.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2292   -8.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4792   -3.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3917   -8.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4375   -6.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8  6  1  0  0  0  0
  9  6  2  0  0  0  0
 10  8  1  0  0  0  0
 11  9  1  0  0  0  0
 12  1  1  0  0  0  0
 13  7  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 14  1  0  0  0  0
 17 12  1  0  0  0  0
 18 16  2  0  0  0  0
 19 15  1  0  0  0  0
 20 18  1  0  0  0  0
  5  3  1  0  0  0  0
 11 10  2  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (2,774)
2774

>  <Formula> (2,774)
C15H15N3S2

>  <MolWeight> (2,774)
301.4297

>  <COMPOUND_NAME> (2,774)
WAY-345160

>  <BAR_CODE_NO> (2,774)
2555524

$$$$
WL-134987
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.7179    1.0760    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0441    0.0760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9766    1.0760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    2.0967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1821    0.4829    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3179   -1.1102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5869   -0.0171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5973    2.1415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1545    1.7243    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3938    3.2794    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5165   -1.9999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8283   -0.0171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8283    2.1415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6924   -2.0171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4593    1.0760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3407   -3.1033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3407   -0.9068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6096   -3.1033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5993   -0.8964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2303   -1.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
  5  9  1  0  0  0  0
 13 15  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (2,775)
2775

>  <Formula> (2,775)
C15H13N3OS

>  <MolWeight> (2,775)
283.34822

>  <COMPOUND_NAME> (2,775)
WL-134987

>  <BAR_CODE_NO> (2,775)
3917384

$$$$
WL-134988
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
    1.8244    0.1241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9762    0.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8244   -0.9759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7348    0.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1031    0.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3658    1.8345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8762   -1.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7762   -1.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4244    1.7828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7762    0.3655    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8756    1.3241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8762   -2.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7762   -2.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9342    1.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8244   -3.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2342    0.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6928    1.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2928   -0.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7549    1.5828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0549    0.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1135    0.2345    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  2  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
  6  9  1  0  0  0  0
 13 15  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (2,776)
2776

>  <Formula> (2,776)
C15H12ClN3OS

>  <MolWeight> (2,776)
317.79328

>  <COMPOUND_NAME> (2,776)
WL-134988

>  <BAR_CODE_NO> (2,776)
3917366

$$$$
WL-183883
csChFnd80/06171916322D

 20 21  0  0  0  0  0  0  0  0999 V2000
    1.3453   -0.8850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3453    0.1391    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2626   -1.3954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4488   -1.3954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4488    0.6529    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2626    0.6529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3971   -0.2126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2626   -2.4229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4488   -2.4229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4488    1.6771    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3453   -2.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4478    2.1909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3246   -3.8195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3443    1.6771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4478    3.2460    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3443    0.6219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2409    2.1909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2409    0.1081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1374    1.6771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1374    0.6529    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  8 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
  9 11  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (2,777)
2777

>  <Formula> (2,777)
C13H13N3O3S

>  <MolWeight> (2,777)
291.32562

>  <COMPOUND_NAME> (2,777)
WL-183883

>  <BAR_CODE_NO> (2,777)
3917483

$$$$
CL-17107
csChFnd80/06171916322D

 13 14  0  0  0  0  0  0  0  0999 V2000
    0.0207    0.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2310    0.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2793    0.1310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0483    0.5310    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2310   -0.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4690    0.3414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3310    0.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0207   -0.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4690   -0.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4414    0.8483    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0207   -0.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4690   -0.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2310   -0.7517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8 11  1  0  0  0  0
  9 12  2  0  0  0  0
 11 13  2  0  0  0  0
  6  7  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <Mol_ID> (2,778)
2778

>  <Formula> (2,778)
C8H7N3S2

>  <MolWeight> (2,778)
209.29128

>  <COMPOUND_NAME> (2,778)
CL-17107

>  <BAR_CODE_NO> (2,778)
3898640

$$$$
CL-268144
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.3256    0.3692    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.3256    1.9074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.3692    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6625   -0.3804    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.6625    2.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.9074    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.3256    0.3804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6625   -1.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9881    0.3692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6625    4.2231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3256   -2.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3256   -2.6960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9881   -2.6960    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3256    4.9950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6625   -1.9074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3256   -4.2231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9881   -4.2398    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9881   -2.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6625   -4.9950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9881   -4.2231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  9 15  2  0  0  0  0
 11 16  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  2  0  0  0  0
 15 19  1  0  0  0  0
 17 20  2  0  0  0  0
 18 21  1  0  0  0  0
 20 22  1  0  0  0  0
  9 14  1  0  0  0  0
 12 16  2  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (2,779)
2779

>  <Formula> (2,779)
C19H22N2O

>  <MolWeight> (2,779)
294.39078

>  <COMPOUND_NAME> (2,779)
CL-268144

>  <BAR_CODE_NO> (2,779)
3898555

$$$$
CL-313377
csChFnd80/06171916322D

 18 19  0  0  0  0  0  0  0  0999 V2000
    7.4682    7.3894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8786    6.6736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8844    8.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6493    7.3894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7033    6.6736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4530    5.9539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7090    8.1091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4797    8.8173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2351    6.6965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2503    8.1091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1290    7.3894    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.1023    5.9501    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0352    5.2475    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1137    8.8440    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0726    9.5410    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4162    6.6965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4372    8.1129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    7.4104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  3  0  0  0  0
  7 14  1  0  0  0  0
  8 15  3  0  0  0  0
  9 16  1  0  0  0  0
 10 17  2  0  0  0  0
 16 18  2  0  0  0  0
  7 11  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (2,780)
2780

>  <Formula> (2,780)
C13H10N4S

>  <MolWeight> (2,780)
254.3103

>  <COMPOUND_NAME> (2,780)
CL-313377

>  <BAR_CODE_NO> (2,780)
3897421

$$$$
CL-350309
csChFnd80/06171916322D

 15 16  0  0  0  0  0  0  0  0999 V2000
    0.1441   -0.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6855   -0.0034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1248    0.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1248   -0.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9545   -0.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9545    0.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6662    0.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6662   -0.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4855   -0.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4855    0.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9352   -0.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7545   -0.0034    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4766   -0.0034    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.7352    0.4655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7352   -0.4621    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  2  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <Mol_ID> (2,781)
2781

>  <Formula> (2,781)
C10H12N2O2S

>  <MolWeight> (2,781)
224.27948

>  <COMPOUND_NAME> (2,781)
CL-350309

>  <BAR_CODE_NO> (2,781)
3897268

$$$$
CL-396287
csChFnd80/06171916322D

 29 31  0  0  0  0  0  0  0  0999 V2000
   -4.9664    0.1369    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5103    0.1369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0766   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0613    1.3918    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2709    1.4831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2861   -1.1865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6011   -0.6313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5481   -2.5707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6011    0.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5253    2.8521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8072    1.4907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8300   -1.1789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3614   -1.5515    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3462    1.8025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5830    0.1673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0456   -0.9203    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4679   -0.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5780    0.4868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6693   -2.3273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6124    1.2321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7076   -1.2017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0270    1.8557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1070   -0.5780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2743    0.9507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6889    1.5819    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9362    0.6769    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3433    1.2929    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5830    0.3955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5030    2.8293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  9 14  1  0  0  0  0
 11 15  2  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 16 19  2  0  0  0  0
 17 20  1  0  0  0  0
 17 21  2  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
  7  9  2  0  0  0  0
 12 15  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (2,782)
2782

>  <Formula> (2,782)
C19H22N6O3S

>  <MolWeight> (2,782)
414.48138

>  <COMPOUND_NAME> (2,782)
CL-396287

>  <BAR_CODE_NO> (2,782)
3897995

$$$$
CL-396296
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
    0.5724   -0.0698    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.7608   -0.8446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5724    1.4658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9125   -0.8446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7608   -2.4011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2266   -0.3630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9055    2.2406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7678    2.2336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9125   -2.4011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2457   -0.0768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2266   -2.8688    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5724   -3.1689    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1480   -1.6194    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7082    1.0959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9055    3.7832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7678    3.7762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2457   -3.1689    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5789    0.6910    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7082   -4.3416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5724    4.5510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6822   -5.4863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2089   -4.6557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5724    6.0866    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -2.1498   -6.9521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6906   -6.1285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7678    6.8544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9055    6.8614    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.6575   -7.2732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  2  0  0  0  0
  6 14  1  0  0  0  0
  7 15  2  0  0  0  0
  8 16  1  0  0  0  0
  9 17  1  0  0  0  0
 10 18  3  0  0  0  0
 11 19  1  0  0  0  0
 15 20  1  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  2  0  0  0  0
 23 26  2  0  0  0  0
 23 27  1  0  0  0  0
 24 28  2  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 16 20  2  0  0  0  0
 25 28  1  0  0  0  0
M  END
>  <Mol_ID> (2,783)
2783

>  <Formula> (2,783)
C20H15N5O3

>  <MolWeight> (2,783)
373.3648

>  <COMPOUND_NAME> (2,783)
CL-396296

>  <BAR_CODE_NO> (2,783)
3898601

$$$$
CL-403979
csChFnd80/06171916322D

 23 26  0  0  0  0  0  0  0  0999 V2000
   -0.0185   -0.8047    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.4264    0.6749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4833   -1.2942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4648   -1.2052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8974   -2.0544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6749    1.7614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9135    1.0717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4759   -2.8405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8220   -0.5192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5439   -0.1224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5513   -2.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.3115    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9802   -3.1409    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1545    1.3609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2855    3.2447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2991    2.5735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0074   -0.0111    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8220   -3.6007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1458   -1.2942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0346   -0.5229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6378   -3.3782    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2015    3.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1458   -2.8405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  2  0  0  0  0
  4 10  2  0  0  0  0
  4 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  2  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  2  0  0  0  0
  8 18  2  0  0  0  0
  9 19  1  0  0  0  0
 10 20  1  0  0  0  0
 11 21  3  0  0  0  0
 15 22  1  0  0  0  0
 18 23  1  0  0  0  0
  8 12  1  0  0  0  0
 10 14  1  0  0  0  0
 16 22  1  0  0  0  0
 19 23  2  0  0  0  0
M  END
>  <Mol_ID> (2,784)
2784

>  <Formula> (2,784)
C17H13N3O3

>  <MolWeight> (2,784)
307.30342

>  <COMPOUND_NAME> (2,784)
CL-403979

>  <BAR_CODE_NO> (2,784)
3897951

$$$$
CL-414449
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
    0.5186   -0.0396    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.8155   -0.7957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4592    1.1638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8329   -0.7640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9199    0.5700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8155   -2.3435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1495   -0.0040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2850    2.4425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0070    1.1638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8329   -2.3079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3886   -0.7640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7418    2.1179    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5890    0.1623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2050   -3.0798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5186   -3.1036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4678   -0.7957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1495    0.7521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4473    3.8122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7829    2.4979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2223   -3.0798    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8810   -0.7640    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4678   -2.3079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9991    3.8122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2951    2.4979    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -4.9879   -1.8764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9032   -3.8122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  1  0  0  0  0
  3  8  2  0  0  0  0
  3  9  1  0  0  0  0
  4 10  2  0  0  0  0
  4 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  2  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  2  0  0  0  0
  8 18  1  0  0  0  0
  9 19  2  0  0  0  0
 10 20  1  0  0  0  0
 11 21  3  0  0  0  0
 14 22  1  0  0  0  0
 18 23  2  0  0  0  0
 19 24  1  0  0  0  0
 22 25  1  0  0  0  0
 22 26  1  0  0  0  0
  8 12  1  0  0  0  0
 10 15  1  0  0  0  0
 16 22  1  0  0  0  0
 19 23  1  0  0  0  0
M  END
>  <Mol_ID> (2,785)
2785

>  <Formula> (2,785)
C19H16BrN3O3

>  <MolWeight> (2,785)
414.25264

>  <COMPOUND_NAME> (2,785)
CL-414449

>  <BAR_CODE_NO> (2,785)
3898252

$$$$
CL-423011
csChFnd80/06171916322D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -0.9888    0.4883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4525   -0.9724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5334    0.5088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0433    1.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9501   -1.3089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1887   -1.8299    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0011   -0.9478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4771    1.7848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5614    1.2637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9717   -0.1764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4465   -2.7818    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5234   -1.4484    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9993    1.5961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8575    3.1921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9729   -3.0896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6312    0.1764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1698    0.0246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  2  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
  6  7  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <Mol_ID> (2,786)
2786

>  <Formula> (2,786)
C11H14N2O3S

>  <MolWeight> (2,786)
254.30546

>  <COMPOUND_NAME> (2,786)
CL-423011

>  <BAR_CODE_NO> (2,786)
3897907

$$$$
CL-423877
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
    1.4504    2.5883    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1339    3.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7669    3.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4504    1.0543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1339    4.8699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1826    2.5883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7669    4.9368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0889    2.5883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1339    0.3626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7669    0.2957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4504    5.6341    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1826    5.6341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5047    3.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0889    5.7011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4054    3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1339   -1.2272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5047    4.9368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4054    4.9368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1826   -1.9970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5047   -1.2272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1826   -3.5255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8156   -1.9970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5047   -4.2842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8156   -3.5255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2046   -4.2842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2046   -5.8126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  2  0  0  0  0
  7 14  1  0  0  0  0
  8 15  2  0  0  0  0
  9 16  2  0  0  0  0
 12 17  2  0  0  0  0
 14 18  2  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
  7 11  1  0  0  0  0
 13 17  1  0  0  0  0
 15 18  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (2,787)
2787

>  <Formula> (2,787)
C22H17NO2S

>  <MolWeight> (2,787)
359.44088

>  <COMPOUND_NAME> (2,787)
CL-423877

>  <BAR_CODE_NO> (2,787)
3897521

$$$$
CL-430469
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -0.6929    0.6873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5197    1.3746    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.6929   -0.6761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1013    0.6873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7211    0.6873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5197    2.8498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9055   -1.3690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5197   -1.3690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1013   -0.6761    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3753    1.4137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7211   -0.6761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0063    1.4137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7993    3.5762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7711    3.5930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9055   -2.8442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9895   -1.4081    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2691    2.1346    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7993    5.0514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7544    5.0905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1795   -3.5762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6091   -3.5930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5197    5.8226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1795   -5.0514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6314   -5.0905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9055   -5.8226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  6 13  2  0  0  0  0
  6 14  1  0  0  0  0
  7 15  1  0  0  0  0
 11 16  1  0  0  0  0
 12 17  3  0  0  0  0
 13 18  1  0  0  0  0
 14 19  2  0  0  0  0
 15 20  2  0  0  0  0
 15 21  1  0  0  0  0
 18 22  2  0  0  0  0
 20 23  1  0  0  0  0
 21 24  2  0  0  0  0
 23 25  2  0  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
 19 22  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (2,788)
2788

>  <Formula> (2,788)
C20H16N4O

>  <MolWeight> (2,788)
328.36724

>  <COMPOUND_NAME> (2,788)
CL-430469

>  <BAR_CODE_NO> (2,788)
3898890

$$$$
CL-5546
csChFnd80/06171916322D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -0.3241   -0.4730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3345    0.1960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2483   -0.7937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8828   -0.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2276    0.5270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2483   -1.4661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8931   -1.4558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2276    1.1856    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7966    0.1960    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3241   -1.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3414    1.5063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7966    1.5270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3241   -2.4558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3517    2.1649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7759    2.1856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2483   -2.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2069    2.5063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
  7 10  2  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <Mol_ID> (2,789)
2789

>  <Formula> (2,789)
C13H17NO2S

>  <MolWeight> (2,789)
251.34458

>  <COMPOUND_NAME> (2,789)
CL-5546

>  <BAR_CODE_NO> (2,789)
3898171

$$$$
CL-900595
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
   -1.2349   -0.0450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9349   -0.2657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2349    0.3343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5349   -0.2657    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1556   -0.0174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0452   -0.6174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9142    0.5136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5556    0.5136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4245   -0.6174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1237   -0.2657    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0763    0.3550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8245   -0.9278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9142    0.8929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5866    0.3343    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.5556    0.8929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8866    0.3343    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.4755   -0.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2349    1.0722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7755   -0.3657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5962    0.2136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0858   -0.1450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7755   -0.7381    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9651    0.2136    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3755    0.5136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4341   -0.2657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1858    0.5136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5134   -0.6278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7134   -0.0174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8755   -0.7450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0755   -0.1278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1444   -0.4968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  2  0  0  0  0
  8 16  1  0  0  0  0
 10 17  1  0  0  0  0
 13 18  2  0  0  0  0
 17 19  1  0  0  0  0
 17 20  2  0  0  0  0
 19 21  1  0  0  0  0
 19 22  2  0  0  0  0
 20 23  1  0  0  0  0
 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
 23 26  1  0  0  0  0
 25 27  2  0  0  0  0
 25 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 30  2  0  0  0  0
 29 31  2  0  0  0  0
  6  9  1  0  0  0  0
 15 18  1  0  0  0  0
 21 23  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (2,790)
2790

>  <Formula> (2,790)
C22H18Cl2N4O3

>  <MolWeight> (2,790)
457.30932

>  <COMPOUND_NAME> (2,790)
CL-900595

>  <BAR_CODE_NO> (2,790)
3898618

$$$$
GI-530441
csChFnd80/06171916322D

 24 27  0  0  0  0  0  0  0  0999 V2000
    2.6216   -0.6935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0823   -0.6882    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.0891   -2.1593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6618    0.4466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0823    0.8511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5989   -2.1487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4518   -0.7880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8388   -3.0576    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5969   -2.4902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1643    0.1156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2522    1.6234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8669   -2.6163    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6319   -1.3502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1993    1.2556    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.5866    0.8511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2522    3.1627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9210    1.6234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5866   -0.6882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2502    0.8511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9210   -1.4605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2502   -0.6882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7160    1.3292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7160   -1.1663    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6196    0.0841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  9 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
  6  8  1  0  0  0  0
 10 13  1  0  0  0  0
 20 21  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (2,791)
2791

>  <Formula> (2,791)
C17H12BrNO5

>  <MolWeight> (2,791)
390.18488

>  <COMPOUND_NAME> (2,791)
GI-530441

>  <BAR_CODE_NO> (2,791)
3898198

$$$$
GI-558807
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -2.7757   -0.1075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4929   -0.1075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7757   -0.8351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4170    0.2580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4929   -0.8351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8067    0.2028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1343   -1.2006    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4170   -1.2006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0584   -0.1075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1343   -0.2040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0584   -0.8351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5519    0.1718    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2036   -0.2282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8450    0.1925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1933   -1.0661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8105    0.9787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5416   -0.1627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4519    1.4097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2036    0.2580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1623    1.0546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9692    1.3201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6312    1.0442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  6 10  1  0  0  0  0
  8 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
  5  7  1  0  0  0  0
  9 11  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (2,792)
2792

>  <Formula> (2,792)
C18H18N2O2

>  <MolWeight> (2,792)
294.34772

>  <COMPOUND_NAME> (2,792)
GI-558807

>  <BAR_CODE_NO> (2,792)
3898292

$$$$
WAY-112534
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -0.4145    1.3786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4145    0.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3179    1.9131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5200    1.9131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5200   -0.2111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3179   -0.2111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2214    1.4062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0903    2.9579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2890    2.9579    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4235    1.4062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4235    0.2855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5580   -1.2835    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2214    0.2855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3593   -1.2835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1662    1.9441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2959    2.0337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7097   -1.8697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1662   -0.2525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0696    1.4062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7097   -3.1007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0696    0.2855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6338   -3.6387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5683   -3.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   -1.9800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5407   -3.5697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  2  0  0  0  0
  7 15  1  0  0  0  0
 10 16  1  0  0  0  0
 12 17  1  0  0  0  0
 13 18  1  0  0  0  0
 15 19  2  0  0  0  0
 17 20  1  0  0  0  0
 18 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
  7 13  2  0  0  0  0
  8  9  1  0  0  0  0
 10 11  2  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <Mol_ID> (2,793)
2793

>  <Formula> (2,793)
C19H16N2O4

>  <MolWeight> (2,793)
336.34134

>  <COMPOUND_NAME> (2,793)
WAY-112534

>  <BAR_CODE_NO> (2,793)
3898646

$$$$
WAY-114228
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    7.2833    4.2115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2833    2.8115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8495    2.8115    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0722    4.8909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0722    2.0851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8495    4.2115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6326    2.1264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0722    6.2909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5060    2.0851    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4395    2.8115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6326    0.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4395    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2227    2.1264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2227    0.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7582    2.7644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1682    2.7762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9630    2.0673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3790    2.1029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1682    4.1820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3733    4.8909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5841    2.7940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5841    4.2115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  6  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  2  0  0  0  0
  9  2  1  0  0  0  0
 10  7  2  0  0  0  0
 11  7  1  0  0  0  0
 12 11  2  0  0  0  0
 13 10  1  0  0  0  0
 14 12  1  0  0  0  0
 15  9  1  0  0  0  0
 16 17  1  0  0  0  0
 17 15  1  0  0  0  0
 18 14  1  0  0  0  0
 19 16  2  0  0  0  0
 20 16  1  0  0  0  0
 21 20  2  0  0  0  0
 22 19  1  0  0  0  0
 23 21  1  0  0  0  0
  3  5  1  0  0  0  0
 13 14  2  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (2,794)
2794

>  <Formula> (2,794)
C21H23NO

>  <MolWeight> (2,794)
305.41342

>  <COMPOUND_NAME> (2,794)
WAY-114228

>  <BAR_CODE_NO> (2,794)
3898693

$$$$
WAY-116475
csChFnd80/06171916322D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -0.9180    0.2722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9077   -0.1726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0284   -0.3554    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8111    1.3550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7974    0.4688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0215   -1.2588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9544    0.0895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1820    1.8032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7905    0.0136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0146   -1.7036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0613    1.1619    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8406   -0.5450    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2889    2.8860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9008   -1.0692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8337   -0.0968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7130   -0.7381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6061   -1.8209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7095   -0.2899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  2  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
  8 11  2  0  0  0  0
 10 14  1  0  0  0  0
M  END
>  <Mol_ID> (2,795)
2795

>  <Formula> (2,795)
C12H10N2O3S

>  <MolWeight> (2,795)
262.2844

>  <COMPOUND_NAME> (2,795)
WAY-116475

>  <BAR_CODE_NO> (2,795)
3898659

$$$$
WAY-118432
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -0.9101   -0.5069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6032   -0.9345    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9412    0.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1584   -0.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5308   -1.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1791   -1.4586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1101   -0.7034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2308    0.7448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5416   -0.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7101   -2.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3412   -2.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4968    0.3448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7101   -3.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3308   -3.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2209    0.7448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5101   -3.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1795    1.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1416    0.2414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5308   -4.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8899    1.6966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8899    2.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1692    2.8966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6071    2.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1795    3.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5899    3.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8899    4.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  2  0  0  0  0
  9 12  1  0  0  0  0
 14 16  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (2,796)
2796

>  <Formula> (2,796)
C19H22N2O4S

>  <MolWeight> (2,796)
374.45398

>  <COMPOUND_NAME> (2,796)
WAY-118432

>  <BAR_CODE_NO> (2,796)
3897765

$$$$
WAY-119427
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -2.1910    0.9809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1910    1.9844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3255    0.4775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0634    0.4775    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3255    2.4878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0634    2.4878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4565    0.9809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9289    0.9809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4565    1.9844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9289    1.9844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    0.4775    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -0.5260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2814   -1.0294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4565   -1.0294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2814   -2.0329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1504   -0.5260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1504   -2.5329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0228   -1.0294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0228   -2.0329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8918   -2.5329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7607   -2.0329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (2,797)
2797

>  <Formula> (2,797)
C16H15NO4

>  <MolWeight> (2,797)
285.2946

>  <COMPOUND_NAME> (2,797)
WAY-119427

>  <BAR_CODE_NO> (2,797)
3898531

$$$$
WAY-223158
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    2.1030    0.8716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1030    0.1268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4410    1.2543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7513    1.2612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4686   -0.2491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7927   -0.2457    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8203    0.8578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4237    0.8819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7513    2.0130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8099    0.1233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4237    0.1371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1410   -0.2698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0824   -0.2284    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5452    0.0957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1728   -0.2870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8625    0.0854    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1728   -1.0181    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4970   -0.2905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1659    0.0819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4970   -1.0319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8039   -0.3008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1349   -1.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8039   -1.0422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4556   -1.4008    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
 23 24  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (2,798)
2798

>  <Formula> (2,798)
C18H14ClNO4

>  <MolWeight> (2,798)
343.76106

>  <COMPOUND_NAME> (2,798)
WAY-223158

>  <BAR_CODE_NO> (2,798)
3898218

$$$$
WAY-227080
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    2.7067   -0.1798    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7895   -0.7867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7067    0.9926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6722   -0.7626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7895   -1.9488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7998   -0.2246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6722    1.5754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6722   -0.1798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7998   -2.5350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7998   -0.8108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6722    0.9926    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7998   -1.9488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3933    1.5892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4174    1.0098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4381    1.5892    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4174   -0.1522    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4450    1.0098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4588    1.5892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4450   -0.1660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4657    1.0098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4588   -0.7488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4657   -0.1660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4761   -0.7488    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  9 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (2,799)
2799

>  <Formula> (2,799)
C18H20FN3O

>  <MolWeight> (2,799)
313.3693032

>  <COMPOUND_NAME> (2,799)
WAY-227080

>  <BAR_CODE_NO> (2,799)
3899018

$$$$
WAY-231455
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -1.5415   -1.6894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5070   -1.1342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5760   -1.1342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5553   -2.8066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5070   -0.0169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4794   -1.6963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5760   -0.0169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3930   -1.6963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6035   -3.3687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5415    0.5382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4449   -1.1411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3930   -2.8101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5415    1.6520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5829    2.2106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5139    2.2106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3896    1.6486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3585    2.2037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3896    0.5313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3206    1.6486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3585   -0.0238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3206    0.5313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2792    2.2037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2792   -0.0238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2447    1.6486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2447    0.5313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
  7 10  2  0  0  0  0
 20 21  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (2,800)
2800

>  <Formula> (2,800)
C18H19NO6

>  <MolWeight> (2,800)
345.34656

>  <COMPOUND_NAME> (2,800)
WAY-231455

>  <BAR_CODE_NO> (2,800)
3898329

$$$$
WAY-232853
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -1.6759    0.4439    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2276    0.9922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4138   -0.1561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3000    0.6819    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6276    1.5612    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5414    0.9922    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8138   -0.7181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7310   -0.2561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2793    1.3612    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000    0.3819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5621   -1.3319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4759   -0.9043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4690    0.3819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8759   -1.4319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8207   -0.2181    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8069    0.9681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5069   -0.2181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8379   -0.8078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8483    0.3612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5207   -0.8078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5207   -1.4181    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.5241    0.3612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8690   -0.2181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
  5  9  1  0  0  0  0
 12 14  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (2,801)
2801

>  <Formula> (2,801)
C15H12ClN5OS

>  <MolWeight> (2,801)
345.80668

>  <COMPOUND_NAME> (2,801)
WAY-232853

>  <BAR_CODE_NO> (2,801)
3898034

$$$$
WAY-233176
csChFnd80/06171916322D

 22 25  0  0  0  0  0  0  0  0999 V2000
    3.6075    2.8056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6285    4.2192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4472    2.1307    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4472    4.8942    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2096    2.8128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8168    2.1096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4472    6.2723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8168    4.9152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2307    4.2192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2307    6.9475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0544    2.8056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0544    4.2192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2307    8.3326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6355    6.9475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8168    0.7032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6355    8.3747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4472    9.0289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2568    2.0885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0283    9.0499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0403    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2568    0.6963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8  2  1  0  0  0  0
  9  5  1  0  0  0  0
 10  7  1  0  0  0  0
 11  5  2  0  0  0  0
 12  6  1  0  0  0  0
 13 12  1  0  0  0  0
 14 10  2  0  0  0  0
 15  7  2  0  0  0  0
 16  6  2  0  0  0  0
 17 15  1  0  0  0  0
 18 17  2  0  0  0  0
 19 12  2  0  0  0  0
 20 14  1  0  0  0  0
 21 16  1  0  0  0  0
 22 21  2  0  0  0  0
  8 13  2  0  0  0  0
  4  9  1  0  0  0  0
 19 22  1  0  0  0  0
 18 14  1  0  0  0  0
M  END
>  <Mol_ID> (2,802)
2802

>  <Formula> (2,802)
C20H17NO

>  <MolWeight> (2,802)
287.35508

>  <COMPOUND_NAME> (2,802)
WAY-233176

>  <BAR_CODE_NO> (2,802)
3898160

$$$$
WAY-233343
csChFnd80/06171916322D

 17 19  0  0  0  0  0  0  0  0999 V2000
    0.7933    0.3140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9450   -0.3550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4653    0.0450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1933    1.5864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3450    0.8864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0036   -1.1032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3239    1.0140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8653   -1.1860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4657    1.8554    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.6450    0.8864    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0450   -0.3343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5860    0.7347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1343   -1.4550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0067   -0.4860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2757   -0.7239    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -5.1136    0.2657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6653   -1.9446    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  2  0  0  0  0
 12 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
  5  9  1  0  0  0  0
 10 11  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (2,803)
2803

>  <Formula> (2,803)
C11H9N3O2S

>  <MolWeight> (2,803)
247.27306

>  <COMPOUND_NAME> (2,803)
WAY-233343

>  <BAR_CODE_NO> (2,803)
3898064

$$$$
WAY-233746
csChFnd80/06171916322D

 32 35  0  0  0  0  0  0  0  0999 V2000
  -10.7080   -3.1190    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6200   -4.4700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1965   -3.9975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6200   -1.8580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1965   -2.3420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.6150   -6.4295    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
  -14.6150   -4.8080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0865   -3.0740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3320   -1.6215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0795   -6.0805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0680   -0.2480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2785   -0.0790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.9660   -7.3750    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -5.9000   -0.1465    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -13.2640   -7.3075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6770   -1.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9255    1.4075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1710    2.8260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4115   -1.4525    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4505    2.8260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5470    1.3510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.6150   -1.5315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2420   -4.4590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0000   -3.9975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0000   -2.3420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6095   -4.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8100   -2.9840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0270    4.2225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2610    1.4410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2950    4.2450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2045    5.6635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4165    5.6635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  7  1  0  0  0  0
  7  3  2  0  0  0  0
  8  1  1  0  0  0  0
  9  8  1  0  0  0  0
 10  2  2  0  0  0  0
 11  4  2  0  0  0  0
 12 14  1  0  0  0  0
 13  6  1  0  0  0  0
 14 16  1  0  0  0  0
 15  6  2  0  0  0  0
 16  9  2  0  0  0  0
 17 21  1  0  0  0  0
 18 17  1  0  0  0  0
 19 12  2  0  0  0  0
 20 18  2  0  0  0  0
 21 12  1  0  0  0  0
 22  5  2  0  0  0  0
 23  8  2  0  0  0  0
 24  7  1  0  0  0  0
 25 22  1  0  0  0  0
 26 23  1  0  0  0  0
 27 26  2  0  0  0  0
 28 18  1  0  0  0  0
 29 20  1  0  0  0  0
 30 20  1  0  0  0  0
 31 28  2  0  0  0  0
 32 31  1  0  0  0  0
  3  5  1  0  0  0  0
 16 27  1  0  0  0  0
 25 24  2  0  0  0  0
 32 30  2  0  0  0  0
M  END
>  <Mol_ID> (2,804)
2804

>  <Formula> (2,804)
C23H17N3O6

>  <MolWeight> (2,804)
431.39758

>  <COMPOUND_NAME> (2,804)
WAY-233746

>  <BAR_CODE_NO> (2,804)
3898426

$$$$
WAY-234728
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.3371   -0.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9578   -0.9690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0422   -1.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1199   -0.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9578   -1.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5371   -0.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3371   -1.8310    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7284   -1.3069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5422    0.0310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5578    0.3931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5371   -1.9690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1199   -0.9690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7629    0.6483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1199   -1.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3284    1.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4077    0.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5422    1.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6077    1.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1629    1.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3939    2.4966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0629    2.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  9 13  1  0  0  0  0
 11 14  1  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
  5  7  1  0  0  0  0
 12 14  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (2,805)
2805

>  <Formula> (2,805)
C16H18N2O2S

>  <MolWeight> (2,805)
302.39132

>  <COMPOUND_NAME> (2,805)
WAY-234728

>  <BAR_CODE_NO> (2,805)
3897747

$$$$
WAY-235927
csChFnd80/06171916322D

 20 21  0  0  0  0  0  0  0  0999 V2000
    8.8100  -14.0210    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4295  -12.4815    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5730  -13.4285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9350  -13.6570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5500  -12.1225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8090  -12.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4525  -13.7920    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.0955  -13.5720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8495  -12.9795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2065  -13.1995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2255  -14.5190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7380  -13.3430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7145  -12.0415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1810  -14.2495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4060  -11.1800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3665  -11.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4920  -12.7640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4820  -11.4490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1205  -11.2335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -11.5970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  6  1  0  0  0  0
  6  4  2  0  0  0  0
  7  3  1  0  0  0  0
  8 10  1  0  0  0  0
  9  8  1  0  0  0  0
 10  7  1  0  0  0  0
 11  8  2  0  0  0  0
 12  9  2  0  0  0  0
 13  9  1  0  0  0  0
 14  4  1  0  0  0  0
 15  5  1  0  0  0  0
 16 18  1  0  0  0  0
 17 12  1  0  0  0  0
 18 13  2  0  0  0  0
 19 16  1  0  0  0  0
 20 19  1  0  0  0  0
  5  2  2  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (2,806)
2806

>  <Formula> (2,806)
C13H13N3O3S

>  <MolWeight> (2,806)
291.32562

>  <COMPOUND_NAME> (2,806)
WAY-235927

>  <BAR_CODE_NO> (2,806)
3897267

$$$$
WAY-236321-A
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
    1.0170    0.0552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1550    0.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4274   -0.9345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4274    1.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7170    1.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7170   -0.9069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7036   -0.9345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7036    1.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8550    1.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1343    2.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2726    0.0552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4274    2.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6860    3.0448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4140    0.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8446    3.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9830   -0.9759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4140   -1.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1347   -0.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9657   -2.9552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6933   -1.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1243   -2.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  7 11  1  0  0  0  0
  9 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
  8 11  1  0  0  0  0
 13 15  2  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (2,807)
2807

>  <Formula> (2,807)
C17H19N3O

>  <MolWeight> (2,807)
281.35226

>  <COMPOUND_NAME> (2,807)
WAY-236321-A

>  <BAR_CODE_NO> (2,807)
3897762

$$$$
WAY-237176
csChFnd80/06171916322D

 18 20  0  0  0  0  0  0  0  0999 V2000
    2.4124    4.1786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4124    2.7569    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6187    4.8894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6187    2.0750    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8105    4.1786    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8105    2.7569    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2062    4.8894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6187    0.6461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6187    6.2894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1460    4.6308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2062    6.2894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9429    3.5108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4124    6.9859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1460    2.3334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8105    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0215    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.9786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  1  1  0  0  0  0
  8  4  1  0  0  0  0
  9  3  1  0  0  0  0
 10  5  1  0  0  0  0
 11  7  2  0  0  0  0
 12 10  2  0  0  0  0
 13  8  2  0  0  0  0
 14 11  1  0  0  0  0
 15  6  1  0  0  0  0
 16  8  1  0  0  0  0
 17  7  1  0  0  0  0
 18 11  1  0  0  0  0
 14  9  2  0  0  0  0
  6  4  1  0  0  0  0
 15 12  1  0  0  0  0
M  END
>  <Mol_ID> (2,808)
2808

>  <Formula> (2,808)
C15H17NO2

>  <MolWeight> (2,808)
243.30098

>  <COMPOUND_NAME> (2,808)
WAY-237176

>  <BAR_CODE_NO> (2,808)
3899030

$$$$
WAY-237178
csChFnd80/06171916322D

 18 20  0  0  0  0  0  0  0  0999 V2000
    2.4470    2.8243    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4470    4.2313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6554    4.9349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6554    2.1260    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8687    4.2313    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8687    2.8243    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6554    0.6984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2083    4.9349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6554    6.3420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1636    4.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2083    6.3420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9588    3.5279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4470    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4470    7.0354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1636    2.3859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8687    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675    8.4373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  6  1  0  0  0  0
  6  4  1  0  0  0  0
  7  4  1  0  0  0  0
  8  2  1  0  0  0  0
  9  3  1  0  0  0  0
 10  5  1  0  0  0  0
 11  8  2  0  0  0  0
 12 15  1  0  0  0  0
 13  7  2  0  0  0  0
 14 11  1  0  0  0  0
 15  6  1  0  0  0  0
 16  7  1  0  0  0  0
 17  8  1  0  0  0  0
 18 14  1  0  0  0  0
  5  3  1  0  0  0  0
 12 10  2  0  0  0  0
  9 14  2  0  0  0  0
M  END
>  <Mol_ID> (2,809)
2809

>  <Formula> (2,809)
C15H17NO2

>  <MolWeight> (2,809)
243.30098

>  <COMPOUND_NAME> (2,809)
WAY-237178

>  <BAR_CODE_NO> (2,809)
3897796

$$$$
WAY-237337
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -6.3910   -1.5565    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1520   -3.6415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1220    0.5285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4960   -1.5565    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.7195    0.5285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2690   -1.5565    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7025   -1.5565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1190   -1.5565    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3910   -5.8170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2850    2.7195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4630   -3.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4630    0.5285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9110    0.5285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9565   -3.6415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8950    0.5285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8950   -3.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.5825   -1.5565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3285    0.5285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3740   -3.6415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0000   -1.5565    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.9445   -1.5565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  7  1  1  0  0  0  0
  8 15  1  0  0  0  0
  9  2  2  0  0  0  0
 10  3  2  0  0  0  0
 11  6  1  0  0  0  0
 12  6  1  0  0  0  0
 13  7  1  0  0  0  0
 14  7  2  0  0  0  0
 15 12  1  0  0  0  0
 16 11  1  0  0  0  0
 17 19  2  0  0  0  0
 18 13  2  0  0  0  0
 19 14  1  0  0  0  0
 20 17  1  0  0  0  0
 21  8  1  0  0  0  0
  4  5  1  0  0  0  0
 17 18  1  0  0  0  0
  8 16  1  0  0  0  0
M  END
>  <Mol_ID> (2,810)
2810

>  <Formula> (2,810)
C15H18FN3O2

>  <MolWeight> (2,810)
291.3207232

>  <COMPOUND_NAME> (2,810)
WAY-237337

>  <BAR_CODE_NO> (2,810)
3897909

$$$$
WAY-238328
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -0.9505   -9.0295    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6140   -3.7425    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3760  -10.5940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9505   -9.9800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7130   -5.8415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1880   -2.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3170   -2.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0100   -6.8910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3465  -12.3765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6140  -12.0200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1880   -0.7130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3170   -0.7130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6140    0.3365    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -4.5740  -10.2970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7920   -8.8715    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5150   -6.7920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2180   -1.9210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1190   -3.7425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9110   -3.7425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0590  -14.3365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0395  -13.5645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9110    0.3365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6140    2.3565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6135   -2.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7725  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3270  -15.6235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6135   -0.7130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  8  1  0  0  0  0
  6  2  1  0  0  0  0
  7  2  1  0  0  0  0
  8  1  1  0  0  0  0
  9  3  1  0  0  0  0
 10  4  1  0  0  0  0
 11  6  2  0  0  0  0
 12  7  1  0  0  0  0
 13 12  1  0  0  0  0
 14  3  2  0  0  0  0
 15  4  2  0  0  0  0
 16  5  2  0  0  0  0
 17  7  1  0  0  0  0
 18  7  1  0  0  0  0
 19  6  1  0  0  0  0
 20  9  1  0  0  0  0
 21 10  1  0  0  0  0
 22 11  1  0  0  0  0
 23 13  1  0  0  0  0
 24 19  2  0  0  0  0
 25 20  2  0  0  0  0
 26 21  2  0  0  0  0
 27 24  1  0  0  0  0
 10  9  2  0  0  0  0
 26 25  1  0  0  0  0
 11 13  1  0  0  0  0
 27 22  2  0  0  0  0
M  END
>  <Mol_ID> (2,811)
2811

>  <Formula> (2,811)
C22H22N2O3

>  <MolWeight> (2,811)
362.42168

>  <COMPOUND_NAME> (2,811)
WAY-238328

>  <BAR_CODE_NO> (2,811)
3898611

$$$$
WAY-239320
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
    6.0556    2.7752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0556    4.1511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4655    4.1511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4655    2.7983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2682    2.0834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6703    4.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6703    2.0834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8830    4.1745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8430    2.0834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9675    5.2551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8830    2.7983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6382    2.7983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8430    0.6841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3637    6.7243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4983    4.8508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6703    6.2498    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7986    7.4159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4255    0.6841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4177    5.9235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4255    2.0834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2910    7.8358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6616    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7259    8.5199    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2929    6.9495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8830    6.9495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0803    6.2579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1143    9.9891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8  6  2  0  0  0  0
  9  1  1  0  0  0  0
 10  2  1  0  0  0  0
 11  7  2  0  0  0  0
 12  9  2  0  0  0  0
 13  9  1  0  0  0  0
 14 10  2  0  0  0  0
 15 10  1  0  0  0  0
 16  6  1  0  0  0  0
 17 19  1  0  0  0  0
 18 22  1  0  0  0  0
 19 15  2  0  0  0  0
 20 12  1  0  0  0  0
 21 14  1  0  0  0  0
 22 13  2  0  0  0  0
 23 18  1  0  0  0  0
 24 17  1  0  0  0  0
 25 27  1  0  0  0  0
 26 16  1  0  0  0  0
 27 26  1  0  0  0  0
 28 24  1  0  0  0  0
 29 23  1  0  0  0  0
  4  3  2  0  0  0  0
 18 20  2  0  0  0  0
  8 11  1  0  0  0  0
 17 21  2  0  0  0  0
M  END
>  <Mol_ID> (2,812)
2812

>  <Formula> (2,812)
C22H21N3O4

>  <MolWeight> (2,812)
391.41984

>  <COMPOUND_NAME> (2,812)
WAY-239320

>  <BAR_CODE_NO> (2,812)
3897371

$$$$
WAY-239679
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.3412   -2.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3726   -2.8271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3412   -1.6064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9515   -2.9892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0761   -2.4064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1899   -3.6409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3761   -1.1892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6239   -3.7064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0588   -1.6064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3761   -0.3685    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3588    0.4936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0968    0.9108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3619    0.9108    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1105    1.7557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3899    2.1591    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2895    1.7591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3899    2.9453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9722    2.1591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2895    3.3453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9722    2.9591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6515    3.3591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (2,813)
2813

>  <Formula> (2,813)
C18H26N2O

>  <MolWeight> (2,813)
286.41184

>  <COMPOUND_NAME> (2,813)
WAY-239679

>  <BAR_CODE_NO> (2,813)
3898445

$$$$
WAY-244942
csChFnd80/06171916322D

 16 18  0  0  0  0  0  0  0  0999 V2000
   -0.1144    0.0722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6270    0.5170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1144   -0.7933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8523    0.5170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4028    0.0722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8028    1.3239    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8523   -1.2278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6270   -1.2278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5972    0.0722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4028   -0.7933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0166    0.6446    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6511    1.4688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5972   -0.7933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0166    2.2239    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3351   -1.2450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0834   -0.8312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
  8 10  1  0  0  0  0
  9 13  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (2,814)
2814

>  <Formula> (2,814)
C12H12N2OS

>  <MolWeight> (2,814)
232.30148

>  <COMPOUND_NAME> (2,814)
WAY-244942

>  <BAR_CODE_NO> (2,814)
3899240

$$$$
WAY-247668
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -2.6292   -3.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6250   -2.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6583   -2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6625   -3.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1458   -3.3667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1083   -3.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1083   -3.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1042   -2.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7000   -3.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1833   -3.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1708   -2.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5875   -4.2625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6292   -4.2625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1042   -1.5625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6917   -2.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5875   -2.4625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0667   -3.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2208   -3.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0667   -2.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5500   -4.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0708   -3.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458   -2.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5542   -3.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0292   -3.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0292   -3.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  2  1  0  0  0  0
  9 10  1  0  0  0  0
 10  4  1  0  0  0  0
 11  3  1  0  0  0  0
 12  7  1  0  0  0  0
 13  7  2  0  0  0  0
 14  8  2  0  0  0  0
 15 11  1  0  0  0  0
 16  8  1  0  0  0  0
 17 12  1  0  0  0  0
 18  9  1  0  0  0  0
 19 16  1  0  0  0  0
 20 17  2  0  0  0  0
 21 17  1  0  0  0  0
 22 19  1  0  0  0  0
 23 21  2  0  0  0  0
 24 20  1  0  0  0  0
 25 23  1  0  0  0  0
  3  4  2  0  0  0  0
  9 15  1  0  0  0  0
 25 24  2  0  0  0  0
M  END
>  <Mol_ID> (2,815)
2815

>  <Formula> (2,815)
C18H21N3O2S2

>  <MolWeight> (2,815)
375.50824

>  <COMPOUND_NAME> (2,815)
WAY-247668

>  <BAR_CODE_NO> (2,815)
3898194

$$$$
WAY-248134
csChFnd80/06171916322D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -0.7759   -0.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0966    0.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0966   -1.4138    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9655   -0.3448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0345    0.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5862    1.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0345   -1.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4655    0.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0517    0.7241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7655    1.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0828    2.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0517   -1.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6379    0.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0828   -1.0345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0517   -2.8241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
  5  7  2  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Mol_ID> (2,816)
2816

>  <Formula> (2,816)
C10H11N3OS

>  <MolWeight> (2,816)
221.27884

>  <COMPOUND_NAME> (2,816)
WAY-248134

>  <BAR_CODE_NO> (2,816)
3897681

$$$$
WAY-249486
csChFnd80/06171916322D

 19 20  0  0  0  0  0  0  0  0999 V2000
    1.1657    0.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8347   -0.1789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8347    0.9590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8174    0.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1761   -0.1789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1657   -0.7513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1657    1.5314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1450    0.9590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1550   -0.7513    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.8174    1.5314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8136   -0.7513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1450    2.1004    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.1446   -0.1789    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1446   -1.3203    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8032   -0.1789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8032   -1.3203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1343   -0.7513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1343    0.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1343   -1.8893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  7 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
  8 10  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (2,817)
2817

>  <Formula> (2,817)
C13H11ClN2O2S

>  <MolWeight> (2,817)
294.75664

>  <COMPOUND_NAME> (2,817)
WAY-249486

>  <BAR_CODE_NO> (2,817)
3898412

$$$$
WAY-296456
csChFnd80/06171916322D

 29 31  0  0  0  0  0  0  0  0999 V2000
    0.0621    0.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7483    0.4759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1586   -0.3655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4172    0.8759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9897    1.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8793   -0.5345    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000    1.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7310    1.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4897    1.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000   -0.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0379    0.1759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7000   -1.2517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1897    0.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1000   -0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8000   -1.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9103    0.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8000   -0.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5000   -1.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1690    1.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3690    0.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -1.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8897    1.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0897    0.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7379   -1.2345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3483    1.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9586   -1.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0690    1.1759    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.6310   -2.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5172   -2.5345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  6 11  2  0  0  0  0
  6 12  2  0  0  0  0
  8 13  2  0  0  0  0
 10 14  1  0  0  0  0
 10 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 16 20  2  0  0  0  0
 17 21  1  0  0  0  0
 19 22  2  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  2  0  0  0  0
  7  9  1  0  0  0  0
 18 21  2  0  0  0  0
 23 25  2  0  0  0  0
M  END
>  <Mol_ID> (2,818)
2818

>  <Formula> (2,818)
C20H17ClN4O3S

>  <MolWeight> (2,818)
428.89198

>  <COMPOUND_NAME> (2,818)
WAY-296456

>  <BAR_CODE_NO> (2,818)
3897241

$$$$
WAY-296459
csChFnd80/06171916322D

 21 22  0  0  0  0  0  0  0  0999 V2000
    0.0734   -0.0064    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6016    0.4728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3391    1.2603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7359    0.4728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4859    1.2603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0734   -0.8314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3808    0.2186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7859   -1.2439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9234    0.5186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5234    0.2186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4984   -0.8314    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5359    1.0686    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9933    0.7686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5516   -0.5814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1359    0.7686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9516   -0.2939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7859   -2.0689    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0942   -0.2939    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7766    0.5186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3266   -0.8439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7308   -0.5522    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9 15  1  0  0  0  0
 10  4  1  0  0  0  0
 11  8  2  0  0  0  0
 12  9  2  0  0  0  0
 13  7  2  0  0  0  0
 14  7  1  0  0  0  0
 15 10  1  0  0  0  0
 16 20  1  0  0  0  0
 17  8  1  0  0  0  0
 18  9  1  0  0  0  0
 19 13  1  0  0  0  0
 20 14  2  0  0  0  0
 21 16  1  0  0  0  0
  3  5  1  0  0  0  0
 16 19  2  0  0  0  0
M  END
>  <Mol_ID> (2,819)
2819

>  <Formula> (2,819)
C15H14ClNO4

>  <MolWeight> (2,819)
307.72896

>  <COMPOUND_NAME> (2,819)
WAY-296459

>  <BAR_CODE_NO> (2,819)
3897248

$$$$
WAY-296460
csChFnd80/06171916322D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -0.9414    0.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2655   -0.0483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7207    0.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6793    1.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3966    0.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2655   -0.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9793   -0.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3931    0.6655    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1448    1.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1828    0.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4448   -1.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8034   -0.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0552    0.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7966    0.7276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4448   -2.1103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1586   -0.8724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5828    0.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7552   -0.3345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1966    1.0276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  2  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
  5  9  2  0  0  0  0
 12 13  2  0  0  0  0
M  END
>  <Mol_ID> (2,820)
2820

>  <Formula> (2,820)
C13H13NO4S

>  <MolWeight> (2,820)
279.31162

>  <COMPOUND_NAME> (2,820)
WAY-296460

>  <BAR_CODE_NO> (2,820)
3897249

$$$$
WAY-296476
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -1.1240   -0.5452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9240   -0.0970    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3758   -0.0970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1240   -1.4349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6965    0.3548    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4654    0.6927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3758   -0.8866    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4242   -0.5452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3758   -1.8970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9033   -1.9073    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.6965    1.2651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4758   -0.0763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1967   -0.0970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4242   -1.4349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4758    1.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2447    0.3548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9656   -0.5452    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2139    0.7927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2447    1.2651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7449   -0.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7656    0.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4967   -0.5452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5449    1.2134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2863   -0.1280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3242    0.7548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1139    1.1651    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  2  0  0  0  0
 15 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
  9 14  2  0  0  0  0
 16 19  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (2,821)
2821

>  <Formula> (2,821)
C17H16BrFN2O4S

>  <MolWeight> (2,821)
443.2873432

>  <COMPOUND_NAME> (2,821)
WAY-296476

>  <BAR_CODE_NO> (2,821)
3897271

$$$$
WAY-296488
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -0.9379    0.0483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7379    0.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6379    0.7897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5379   -0.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9172    0.8690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2586   -0.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2586    1.2897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1414    0.9897    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9379   -1.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2621   -0.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0379   -0.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7034    0.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5379   -2.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6621   -1.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5586   -0.9724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3069    0.3586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4828    0.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2621   -2.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3379   -0.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0793    0.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0414    0.0483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6828    1.3690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6069   -0.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8034    0.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0034    1.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3621   -0.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7621    1.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1207   -0.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3207    0.6483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0828    0.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  6 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  2  0  0  0  0
 11 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 13 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  2  0  0  0  0
 17 21  1  0  0  0  0
 17 22  2  0  0  0  0
 19 23  2  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  2  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
  5  7  1  0  0  0  0
 14 18  1  0  0  0  0
 20 23  1  0  0  0  0
 28 29  2  0  0  0  0
M  END
>  <Mol_ID> (2,822)
2822

>  <Formula> (2,822)
C24H22N4OS

>  <MolWeight> (2,822)
414.52268

>  <COMPOUND_NAME> (2,822)
WAY-296488

>  <BAR_CODE_NO> (2,822)
3897287

$$$$
WAY-296492
csChFnd80/06171916322D

 37 41  0  0  0  0  0  0  0  0999 V2000
   -1.7655   -0.2897    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.7655    0.6690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9448   -0.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6034   -0.7690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6034    1.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9241    1.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1034   -0.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9448   -1.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4448   -0.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4448    0.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6034    2.1103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9241    2.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7345   -0.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1034   -2.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2655   -0.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2655    1.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0724    2.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7138    2.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5966   -0.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7345   -1.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1000   -0.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1000    0.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0241    3.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7138    3.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4345   -0.7310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5966   -2.2310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8931    4.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3759   -0.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5759   -1.6828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6069   -3.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0069   -1.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3759    0.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5345   -1.8379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9552   -0.9828    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.7966   -2.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4138   -0.1517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5862   -1.7310    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 12 17  2  0  0  0  0
 12 18  1  0  0  0  0
 13 19  1  0  0  0  0
 13 20  1  0  0  0  0
 15 21  2  0  0  0  0
 16 22  2  0  0  0  0
 17 23  1  0  0  0  0
 18 24  2  0  0  0  0
 19 25  1  0  0  0  0
 20 26  1  0  0  0  0
 23 27  2  0  0  0  0
 25 28  1  0  0  0  0
 25 29  1  0  0  0  0
 26 30  1  0  0  0  0
 28 31  2  0  0  0  0
 28 32  1  0  0  0  0
 29 33  2  0  0  0  0
 31 34  1  0  0  0  0
 33 35  1  0  0  0  0
 34 36  2  0  0  0  0
 34 37  1  0  0  0  0
  9 10  2  0  0  0  0
 14 20  2  0  0  0  0
 21 22  1  0  0  0  0
 24 27  1  0  0  0  0
 31 33  1  0  0  0  0
M  END
>  <Mol_ID> (2,823)
2823

>  <Formula> (2,823)
C28H27N5O4

>  <MolWeight> (2,823)
497.54508

>  <COMPOUND_NAME> (2,823)
WAY-296492

>  <BAR_CODE_NO> (2,823)
3897295

$$$$
WAY-296504
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
    3.6268    4.2202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6268    2.8202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0669    4.2202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8469    4.9070    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4267    4.9070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0669    2.8202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8469    2.1068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2470    9.0672    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.4267    2.1068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2201    4.2202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8469    6.3004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2201    2.8202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2804    4.9070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0270    8.4004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5004    5.6203    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0469    7.0203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4203    8.3404    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.4267    6.3004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2470   10.4472    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2804    2.1068    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6468    7.0071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4267    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8269    9.1205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6268    8.3804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2201    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  2  0  0  0  0
  7  2  1  0  0  0  0
  8 14  1  0  0  0  0
  9  2  1  0  0  0  0
 10  5  1  0  0  0  0
 11  4  1  0  0  0  0
 12 10  1  0  0  0  0
 13  3  1  0  0  0  0
 14 16  1  0  0  0  0
 15 13  3  0  0  0  0
 16 11  2  0  0  0  0
 17  8  1  0  0  0  0
 18  5  2  0  0  0  0
 19  8  2  0  0  0  0
 20  6  1  0  0  0  0
 21 11  1  0  0  0  0
 22  9  1  0  0  0  0
 23 12  1  0  0  0  0
 24 25  1  0  0  0  0
 25 21  2  0  0  0  0
 26 22  2  0  0  0  0
 27 23  2  0  0  0  0
  6  7  1  0  0  0  0
  9 12  2  0  0  0  0
 26 27  1  0  0  0  0
 24 14  2  0  0  0  0
M  END
>  <Mol_ID> (2,824)
2824

>  <Formula> (2,824)
C19H11N3O5

>  <MolWeight> (2,824)
361.30774

>  <COMPOUND_NAME> (2,824)
WAY-296504

>  <BAR_CODE_NO> (2,824)
3897312

$$$$
WAY-296505
csChFnd80/06171916322D

 21 22  0  0  0  0  0  0  0  0999 V2000
    0.0138    0.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0138    0.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4759   -0.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4690   -0.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4690    0.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4759    0.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9552    0.1034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4759   -0.7172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9448    0.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9448    0.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9552    0.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9552   -0.9966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4241   -0.1793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4241    0.9276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8138    1.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4931    0.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9552   -1.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9069    0.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9069    0.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4759   -1.8172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4310   -1.8172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 13 18  1  0  0  0  0
 14 19  1  0  0  0  0
 17 20  1  0  0  0  0
 17 21  2  0  0  0  0
  7 11  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <Mol_ID> (2,825)
2825

>  <Formula> (2,825)
C14H20N4O3

>  <MolWeight> (2,825)
292.3336

>  <COMPOUND_NAME> (2,825)
WAY-296505

>  <BAR_CODE_NO> (2,825)
3897313

$$$$
WAY-296516
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -2.3276    0.5310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0897    0.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5103    0.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2483    1.4310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0276   -0.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9103    0.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8897    0.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3276   -0.7690    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.3483    1.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7897   -1.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6724   -0.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0276    0.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9724    2.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6345   -0.9897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4897    0.0586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4276    0.0586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8897   -0.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8103   -0.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4276   -1.5414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2724    0.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2724   -1.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1897    0.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8241    0.8241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1897   -1.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6517   -0.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2621    1.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 12 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 18 21  2  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
 23 26  1  0  0  0  0
  7  9  1  0  0  0  0
 11 14  2  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (2,826)
2826

>  <Formula> (2,826)
C19H17ClN4O2

>  <MolWeight> (2,826)
368.81688

>  <COMPOUND_NAME> (2,826)
WAY-296516

>  <BAR_CODE_NO> (2,826)
3897329

$$$$
WAY-296548-A
csChFnd80/06171916322D

 16 18  0  0  0  0  0  0  0  0999 V2000
   -1.5034    0.5332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5034   -0.8910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2586    1.2504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7448    1.2504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2586   -1.6082    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7448   -1.6082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9759    0.5332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2586    2.6849    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9828    0.5332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9759   -0.8910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9828   -0.8910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0931    1.4263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0931   -1.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4931    1.1090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4931   -1.4668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1138   -0.1772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
 10 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
  7 10  1  0  0  0  0
  9 11  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (2,827)
2827

>  <Formula> (2,827)
C14H16N2

>  <MolWeight> (2,827)
212.29024

>  <COMPOUND_NAME> (2,827)
WAY-296548-A

>  <BAR_CODE_NO> (2,827)
3897373

$$$$
WAY-296618
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -1.8200    0.9973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8200    0.6317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9579    0.3662    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4821    2.0179    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6614    1.3179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0062   -0.4200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0717    0.9973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4200    2.0179    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6407    0.9421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0200   -0.7993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9593    0.6800    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8303   -0.1027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2179   -0.3441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2593   -0.6441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4593   -1.0821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0283    0.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5179   -1.6821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0421   -0.2027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5593   -1.9821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3179   -1.2441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3697   -1.5441    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 20 21  1  0  0  0  0
  7  8  2  0  0  0  0
 10 12  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (2,828)
2828

>  <Formula> (2,828)
C15H10FN3OS

>  <MolWeight> (2,828)
299.3228032

>  <COMPOUND_NAME> (2,828)
WAY-296618

>  <BAR_CODE_NO> (2,828)
3897462

$$$$
WAY-296643
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -0.3759   -0.6828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000   -0.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0483   -1.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0276    0.0379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6759   -1.3724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6966   -0.0379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8655   -1.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3966    0.7448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621   -1.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4759   -0.3034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2793   -2.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2586   -0.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2207    0.7345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1241   -1.6241    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0966   -2.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8586   -2.7931    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0724   -0.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8276    1.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4207    2.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4966   -1.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2276    2.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0241    2.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8069    2.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2069    3.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  2  0  0  0  0
  9 15  2  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  2  0  0  0  0
 13 19  2  0  0  0  0
 13 20  1  0  0  0  0
 16 21  2  0  0  0  0
 19 22  1  0  0  0  0
 20 23  2  0  0  0  0
 22 24  2  0  0  0  0
 24 25  1  0  0  0  0
  9 10  1  0  0  0  0
 18 21  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (2,829)
2829

>  <Formula> (2,829)
C18H15FN4OS

>  <MolWeight> (2,829)
354.4013032

>  <COMPOUND_NAME> (2,829)
WAY-296643

>  <BAR_CODE_NO> (2,829)
3897489

$$$$
WAY-296700
csChFnd80/06171916322D

 16 18  0  0  0  0  0  0  0  0999 V2000
    0.1586    0.0241    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.7103   -0.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0793    0.2931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7172   -0.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3517    0.7931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7103   -1.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5207    0.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0793    1.2621    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.1793   -1.4690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6379   -0.6862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1793    1.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5207   -1.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3310   -0.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8000    1.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3310   -1.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6483    1.4828    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
 12 15  2  0  0  0  0
 14 16  1  0  0  0  0
  6  9  1  0  0  0  0
  8 11  1  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <Mol_ID> (2,830)
2830

>  <Formula> (2,830)
C11H10ClNO3

>  <MolWeight> (2,830)
239.655

>  <COMPOUND_NAME> (2,830)
WAY-296700

>  <BAR_CODE_NO> (2,830)
3897562

$$$$
WAY-296702
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -0.7966   -0.3966    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.5069   -0.7966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7966    1.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0862   -0.7966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5069   -1.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2069   -0.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0862    1.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5069    1.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0862   -1.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6448   -0.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7966   -2.0345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2069   -2.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9310   -0.7966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2069    0.4448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0862    2.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6310    1.1310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5069    2.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6448   -2.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3310   -0.7966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6448    0.4448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9310   -1.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7966    2.7448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3207    1.5759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0655   -0.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8034   -0.8069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0655    0.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5310   -0.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8138    0.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5448    0.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  2  0  0  0  0
  7 15  2  0  0  0  0
  7 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 18  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  2  0  0  0  0
 12 21  1  0  0  0  0
 15 22  1  0  0  0  0
 16 23  1  0  0  0  0
 19 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
  9 11  1  0  0  0  0
 13 21  1  0  0  0  0
 17 22  2  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (2,831)
2831

>  <Formula> (2,831)
C24H29NO4

>  <MolWeight> (2,831)
395.49136

>  <COMPOUND_NAME> (2,831)
WAY-296702

>  <BAR_CODE_NO> (2,831)
3897564

$$$$
WAY-296711
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
    0.3655   -0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3655   -0.8655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0655    0.0966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2724    0.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2724   -1.2517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0655   -1.1034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6655   -0.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1586    0.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9103   -0.1138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2724    0.9966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9103   -0.8655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2724   -2.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4276   -0.7138    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.8966    1.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5517    0.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5724   -1.2517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4759    0.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1138    1.7931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2862    0.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2276    0.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8759    2.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621   -0.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8483    0.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4655    1.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1862   -0.9310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    0.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7724   -0.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 11 16  2  0  0  0  0
 14 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  2  0  0  0  0
 19 22  2  0  0  0  0
 19 23  1  0  0  0  0
 20 24  2  0  0  0  0
 22 25  1  0  0  0  0
 23 26  2  0  0  0  0
 25 27  2  0  0  0  0
  6  7  2  0  0  0  0
  9 11  1  0  0  0  0
 21 24  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (2,832)
2832

>  <Formula> (2,832)
C20H18N4O2S

>  <MolWeight> (2,832)
378.44752

>  <COMPOUND_NAME> (2,832)
WAY-296711

>  <BAR_CODE_NO> (2,832)
3897574

$$$$
WAY-296712
csChFnd80/06171916322D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.7623   -0.2343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1036   -0.2343    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1036   -0.8101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1036    0.3209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2377    0.3209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7416   -0.8101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7623   -1.3964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7623    0.3209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8964    0.3209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1036    0.8830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0795   -0.2343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2205   -0.2584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2205    0.8830    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8757   -0.2584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8757    0.8657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1964    0.3209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
  9 12  1  0  0  0  0
  9 13  2  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
  8 11  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <Mol_ID> (2,833)
2833

>  <Formula> (2,833)
C12H10N2O2

>  <MolWeight> (2,833)
214.22

>  <COMPOUND_NAME> (2,833)
WAY-296712

>  <BAR_CODE_NO> (2,833)
3897575

$$$$
WAY-296742
csChFnd80/06171916322D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -0.5586   -0.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0103   -0.8379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5172   -0.0552    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2586    0.8828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9414   -0.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8172    0.8828    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.0448    1.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4897   -1.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3552    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7172    1.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4310   -1.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3034    0.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4483    0.6000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.8552   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  2  0  0  0  0
  6  7  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <Mol_ID> (2,834)
2834

>  <Formula> (2,834)
C10H11BrN2S

>  <MolWeight> (2,834)
271.17674

>  <COMPOUND_NAME> (2,834)
WAY-296742

>  <BAR_CODE_NO> (2,834)
3897621

$$$$
WAY-296783
csChFnd80/06171916322D

 28 30  0  0  0  0  0  0  0  0999 V2000
   -1.6310    0.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6310   -0.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9207    0.7103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3448    0.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9103   -0.9517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3448   -0.9517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9207    1.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0552    0.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2069   -0.5276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9103   -1.7759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0552   -0.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2069    1.9483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6345    1.9414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5069   -0.9379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5069    1.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2103    2.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5138   -1.7724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2276   -0.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2172    1.9483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5069    0.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4931    3.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2310   -2.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9379   -0.9379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2172    2.7724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9448   -1.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6552   -2.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6552   -3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3690   -1.7655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  2  0  0  0  0
  9 14  1  0  0  0  0
 12 15  2  0  0  0  0
 12 16  1  0  0  0  0
 14 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 15 20  1  0  0  0  0
 16 21  2  0  0  0  0
 17 22  1  0  0  0  0
 18 23  2  0  0  0  0
 19 24  2  0  0  0  0
 22 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
  8 11  2  0  0  0  0
 21 24  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (2,835)
2835

>  <Formula> (2,835)
C22H18N2O4

>  <MolWeight> (2,835)
374.38932

>  <COMPOUND_NAME> (2,835)
WAY-296783

>  <BAR_CODE_NO> (2,835)
3897671

$$$$
WAY-296787
csChFnd80/06171916322D

 16 18  0  0  0  0  0  0  0  0999 V2000
   -0.1621   -0.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5793    0.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1621   -1.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9000    0.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3517   -0.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7517    1.0759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5793   -1.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9000   -1.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6448   -0.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3517   -1.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9690    0.3966    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6069    1.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6448   -1.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3828    0.2759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9690    1.9759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3621    1.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  8 13  2  0  0  0  0
  9 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
  7 10  1  0  0  0  0
  9 13  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (2,836)
2836

>  <Formula> (2,836)
C12H12N2OS

>  <MolWeight> (2,836)
232.30148

>  <COMPOUND_NAME> (2,836)
WAY-296787

>  <BAR_CODE_NO> (2,836)
3897675

$$$$
WAY-296817
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    1.8414    0.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0483    0.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0414    0.8448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    1.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3586   -0.4034    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8069   -0.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7414    0.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1793    1.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3897    0.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0586   -0.1172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    0.1655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8586   -0.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7793    0.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -0.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2207    0.6345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2793   -0.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8517   -0.9172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4103    0.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6207   -0.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7000   -1.7241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1724    0.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7931    0.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3000   -2.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  2  0  0  0  0
 19 22  2  0  0  0  0
 20 23  1  0  0  0  0
  5  7  1  0  0  0  0
  8  9  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (2,837)
2837

>  <Formula> (2,837)
C17H16N2O3S

>  <MolWeight> (2,837)
328.38554

>  <COMPOUND_NAME> (2,837)
WAY-296817

>  <BAR_CODE_NO> (2,837)
3897707

$$$$
WAY-296818
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    2.2207    0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9552    0.9517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000   -0.3000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0345    0.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1414    0.9103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621    1.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9621    0.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5621    0.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2828    1.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2034   -0.2138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3828    0.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5966   -0.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2379   -0.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9586    0.5379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0172   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5862   -1.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1448    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3586   -0.7897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4379   -1.8207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9069    0.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5276    0.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0379   -2.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  2  0  0  0  0
 18 21  2  0  0  0  0
 19 22  1  0  0  0  0
  5  7  2  0  0  0  0
  8  9  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (2,838)
2838

>  <Formula> (2,838)
C17H16N2O2S

>  <MolWeight> (2,838)
312.38614

>  <COMPOUND_NAME> (2,838)
WAY-296818

>  <BAR_CODE_NO> (2,838)
3897708

$$$$
WAY-296830
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.2034   -0.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2034    0.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8034   -0.5069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4138   -0.4897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4138    0.9103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8034    0.9310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4034   -0.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7862   -1.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0138   -0.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0138    0.5483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4138    1.6103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4034    0.5690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0034   -0.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3862   -1.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6138   -0.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6138    0.9103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9862   -1.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2345   -0.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2345    0.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 13 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  2  0  0  0  0
  9 10  1  0  0  0  0
 14 17  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (2,839)
2839

>  <Formula> (2,839)
C14H15N3O2

>  <MolWeight> (2,839)
257.2878

>  <COMPOUND_NAME> (2,839)
WAY-296830

>  <BAR_CODE_NO> (2,839)
3897725

$$$$
WAY-296879
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
    6.1275   -1.4935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1275   -0.1605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9910   -2.1860    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8545   -0.1605    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8545   -1.4935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9910    0.4300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4315   -1.9235    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4315    0.1675    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2185   -0.8745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0930    1.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7890    1.3990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7175   -2.1860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9910    1.7415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9670    0.6995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.1255    1.8070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8140    1.5225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5300    2.9215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9910   -3.4975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7175    0.4080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4830    3.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9400    2.5065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3845    0.2840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2785    0.9835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6360    2.2220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1530    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000    0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  7  2  0  0  0  0
 10 11  1  0  0  0  0
 11  8  1  0  0  0  0
 12  5  2  0  0  0  0
 13  6  2  0  0  0  0
 14 10  1  0  0  0  0
 15 16  1  0  0  0  0
 16 22  2  0  0  0  0
 17 10  2  0  0  0  0
 18  3  1  0  0  0  0
 19  4  1  0  0  0  0
 20 15  2  0  0  0  0
 21 24  2  0  0  0  0
 22 25  1  0  0  0  0
 23 14  1  0  0  0  0
 24 23  1  0  0  0  0
 25 23  2  0  0  0  0
 26 15  1  0  0  0  0
  8  9  1  0  0  0  0
  4  6  1  0  0  0  0
 16 21  1  0  0  0  0
M  END
>  <Mol_ID> (2,840)
2840

>  <Formula> (2,840)
C17H17N5O4

>  <MolWeight> (2,840)
355.34798

>  <COMPOUND_NAME> (2,840)
WAY-296879

>  <BAR_CODE_NO> (2,840)
3897793

$$$$
WAY-296892
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -2.2795   -0.9935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2795    0.2065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2588   -1.5935    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3174   -1.5935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2588    0.8065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3174    0.8065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2174   -0.9935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2588   -2.7935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3657   -0.9935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2174    0.2065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2588    2.0065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3657    0.2065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8412   -1.6142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2795   -3.3935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8412    0.8306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2795   -4.5935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8826    0.2306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8412    2.0306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9205    0.8306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9205    2.0306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9412    0.2306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9412    2.6306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8584    2.6479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9826    0.8306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9826    2.0306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
 10 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
  7 10  1  0  0  0  0
  9 12  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (2,841)
2841

>  <Formula> (2,841)
C19H19N3O3

>  <MolWeight> (2,841)
337.37246

>  <COMPOUND_NAME> (2,841)
WAY-296892

>  <BAR_CODE_NO> (2,841)
3897809

$$$$
WAY-296923
csChFnd80/06171916322D

 23 24  0  0  0  0  0  0  0  0999 V2000
   -0.8000    0.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2793   -0.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000    0.9379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0241    0.2828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0690   -0.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0759    0.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4448   -0.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7310   -0.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7517    1.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2690   -0.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0379   -1.1414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4621   -0.2759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7379   -1.4759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6621    0.3069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1552   -0.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4862    0.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9000   -0.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8828    1.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9103   -0.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7207    1.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7379   -0.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1379    0.3586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9621    0.3621    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  1  0  0  0  0
  8 13  2  0  0  0  0
 10 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
  5  6  2  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (2,842)
2842

>  <Formula> (2,842)
C15H15FN2O4S

>  <MolWeight> (2,842)
338.3540032

>  <COMPOUND_NAME> (2,842)
WAY-296923

>  <BAR_CODE_NO> (2,842)
3897847

$$$$
WAY-296967
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -0.8379    0.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1931    0.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4379    0.3793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0931    1.4483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0690   -0.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3138    0.9586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9862    0.8103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7241    1.4483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5759   -0.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9552    0.7448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6586    0.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0931    0.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1448    1.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8448   -0.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7552   -0.1069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8069    0.9483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5069   -0.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9138   -0.7897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9931    0.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5621   -1.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4138   -1.3552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7138   -1.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0552   -0.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3621   -1.8552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7138   -0.7517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8621   -1.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  9 12  2  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  2  0  0  0  0
 18 20  1  0  0  0  0
 18 21  2  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  2  0  0  0  0
  7  8  2  0  0  0  0
 10 12  1  0  0  0  0
 17 19  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (2,843)
2843

>  <Formula> (2,843)
C21H15N3O2

>  <MolWeight> (2,843)
341.3627

>  <COMPOUND_NAME> (2,843)
WAY-296967

>  <BAR_CODE_NO> (2,843)
3897899

$$$$
WAY-296968
csChFnd80/06171916322D

 33 38  0  0  0  0  0  0  0  0999 V2000
    5.7595    4.7539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4853    7.1378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8872    5.8720    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8664    8.3753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2531    3.4808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5372    5.5133    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8564    7.0534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5161    8.6706    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    4.9997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1531    2.3839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0167    3.9100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4403    6.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6259    9.5145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4192    7.8128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0253    9.4161    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.6511    8.2064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5103    2.5808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8747    3.2558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5034    5.7875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8198   10.5764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6259    1.0970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2236    5.7031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2025    8.5231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3753    1.5189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1981   10.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1939   11.8350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4978    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.8128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8692    0.2181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9998   11.6453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9886   13.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3881   12.9109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8  4  1  0  0  0  0
  9  1  2  0  0  0  0
 10  5  1  0  0  0  0
 11  9  1  0  0  0  0
 12  6  1  0  0  0  0
 13  4  1  0  0  0  0
 14 12  1  0  0  0  0
 15 16  1  0  0  0  0
 16  7  1  0  0  0  0
 17 11  1  0  0  0  0
 18  5  2  0  0  0  0
 19  7  2  0  0  0  0
 20 15  1  0  0  0  0
 21 10  1  0  0  0  0
 22 12  2  0  0  0  0
 23 14  2  0  0  0  0
 24 17  1  0  0  0  0
 25 20  2  0  0  0  0
 26 20  1  0  0  0  0
 27 21  2  0  0  0  0
 28 29  2  0  0  0  0
 29 22  1  0  0  0  0
 30 24  2  0  0  0  0
 31 25  1  0  0  0  0
 32 26  2  0  0  0  0
 33 32  1  0  0  0  0
 10 17  2  0  0  0  0
  8 14  1  0  0  0  0
 30 27  1  0  0  0  0
 13 15  1  0  0  0  0
 28 23  1  0  0  0  0
 31 33  2  0  0  0  0
M  END
>  <Mol_ID> (2,844)
2844

>  <Formula> (2,844)
C28H22N2O3

>  <MolWeight> (2,844)
434.48588

>  <COMPOUND_NAME> (2,844)
WAY-296968

>  <BAR_CODE_NO> (2,844)
3897900

$$$$
WAY-296983
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -0.8862   -1.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4655   -0.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0138   -1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3552   -2.1138    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2862   -1.0138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2517    0.2138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2379   -1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0759   -0.5483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3000   -0.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1000    0.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9241   -2.4759    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8655   -0.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6966    0.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3000    1.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5552   -0.4483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9034   -1.8759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5828    0.4345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1828    1.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9966    1.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8828    1.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5345    1.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2828    2.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9345    2.7517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8138    2.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  2  0  0  0  0
 13 16  1  0  0  0  0
 13 17  2  0  0  0  0
 14 18  1  0  0  0  0
 14 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  2  0  0  0  0
  5  8  1  0  0  0  0
 15 19  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (2,845)
2845

>  <Formula> (2,845)
C18H13NO4S2

>  <MolWeight> (2,845)
371.43012

>  <COMPOUND_NAME> (2,845)
WAY-296983

>  <BAR_CODE_NO> (2,845)
3897923

$$$$
WAY-296986
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
    0.0482    0.1797    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0482   -0.6479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7723    0.5901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7311    0.4314    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7311   -0.9030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7723   -1.0479    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4965    0.1797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7723    1.4073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2173   -0.2341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9898   -1.6789    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.4965   -0.6479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5965    1.4073    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.7723    2.2418    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0553    1.4073    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0449   -0.2203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2102   -1.0479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4449    0.4901    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4656   -0.9306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2102   -1.8789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9240   -0.6479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2829    0.5038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0139    1.1901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9240   -2.2824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6447   -1.0479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6898    1.2211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4139    1.9176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6447   -1.8789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2518    1.9280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 11 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 17 22  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  2  0  0  0  0
 21 25  1  0  0  0  0
 22 26  1  0  0  0  0
 23 27  2  0  0  0  0
 25 28  1  0  0  0  0
  5  9  1  0  0  0  0
  7 11  1  0  0  0  0
 24 27  1  0  0  0  0
 26 28  1  0  0  0  0
M  END
>  <Mol_ID> (2,846)
2846

>  <Formula> (2,846)
C18H14BrF3N4O2

>  <MolWeight> (2,846)
455.2285696

>  <COMPOUND_NAME> (2,846)
WAY-296986

>  <BAR_CODE_NO> (2,846)
3897927

$$$$
WAY-297002
csChFnd80/06171916322D

 19 20  0  0  0  0  0  0  0  0999 V2000
    0.3379   -0.0724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9103    0.3862    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0724   -0.7828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2621    0.3655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6724    1.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3379    1.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4379   -0.2828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7069   -0.9345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5448   -1.3621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0414    1.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9862    0.6000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.7586    1.6621    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.6862    1.4621    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2621   -0.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9276   -1.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4897    1.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0621   -0.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7138   -1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2759   -1.3345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  2  0  0  0  0
  4 10  2  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  8 14  2  0  0  0  0
  8 15  1  0  0  0  0
 10 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  2  0  0  0  0
 17 19  2  0  0  0  0
  5 10  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (2,847)
2847

>  <Formula> (2,847)
C11H10F3N3O2

>  <MolWeight> (2,847)
273.2112096

>  <COMPOUND_NAME> (2,847)
WAY-297002

>  <BAR_CODE_NO> (2,847)
3897953

$$$$
WAY-297003
csChFnd80/06171916322D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.0655   -0.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8276   -0.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6655    0.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4138   -0.8517    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2483    0.5345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2276   -0.8966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4138   -0.0276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5862    1.2517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2345   -0.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0793    0.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8345    1.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0483   -0.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2207    0.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8207   -1.4276    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4862   -0.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3345    1.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  9 14  2  0  0  0  0
 10 15  2  0  0  0  0
 13 16  1  0  0  0  0
  7  9  1  0  0  0  0
 12 15  1  0  0  0  0
M  END
>  <Mol_ID> (2,848)
2848

>  <Formula> (2,848)
C11H12N2OS2

>  <MolWeight> (2,848)
252.35578

>  <COMPOUND_NAME> (2,848)
WAY-297003

>  <BAR_CODE_NO> (2,848)
3897954

$$$$
WAY-297036
csChFnd80/06171916322D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.0446    0.2964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5860    0.2964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2243   -0.1726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2243    0.7653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8550   -0.1657    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8343    0.7653    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7657   -0.1726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7657    0.7653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3929   -0.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5929   -0.6347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0450    0.2964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6653   -0.6036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8757   -1.1036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5761    0.2964    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4032   -1.0830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8243    0.7653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8243   -0.1657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
  8 11  2  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <Mol_ID> (2,849)
2849

>  <Formula> (2,849)
C14H20N2S

>  <MolWeight> (2,849)
248.387

>  <COMPOUND_NAME> (2,849)
WAY-297036

>  <BAR_CODE_NO> (2,849)
3898003

$$$$
WAY-297054
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -1.5936    0.7715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9404    0.1111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8184   -0.5127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3819    1.6557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1341    2.1707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0420   -1.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1857    0.9473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6813   -0.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5429   -1.8261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9897    1.0484    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5418    3.1471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3888   -2.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5326    0.2870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4566   -1.7675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7676   -3.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0294    2.1296    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6341   -1.2096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7321   -3.0810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4010    1.5223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9809   -1.8699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5073   -4.3651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6127    2.4065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5609    0.0309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9843    1.7993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4528    3.8980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9325   -0.5764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1442    0.3078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  2  0  0  0  0
  3  8  2  0  0  0  0
  3  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  2  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  2  0  0  0  0
 10 16  1  0  0  0  0
 12 17  1  0  0  0  0
 14 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 19 23  2  0  0  0  0
 22 24  2  0  0  0  0
 22 25  1  0  0  0  0
 23 26  1  0  0  0  0
 24 27  1  0  0  0  0
 13 17  2  0  0  0  0
 15 18  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <Mol_ID> (2,850)
2850

>  <Formula> (2,850)
C23H24N2O2

>  <MolWeight> (2,850)
360.44886

>  <COMPOUND_NAME> (2,850)
WAY-297054

>  <BAR_CODE_NO> (2,850)
3898023

$$$$
WAY-297112
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
    3.6279    4.2214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6279    2.8210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0688    4.2214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4275    4.9085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8483    4.9085    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0688    2.8210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8483    2.1074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8284   10.5037    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.4275    2.1074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2204    4.2214    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2204    2.8210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2492    4.9085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4297    5.6021    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8284    9.1233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8483    6.3023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0220   11.1840    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.4275    6.3023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6479   11.1440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2826    2.1074    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0288    8.4029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6279    8.3829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6479    7.0093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0488    7.0225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4275    0.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2204    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  5  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  2  0  0  0  0
  7  2  1  0  0  0  0
  8 14  1  0  0  0  0
  9  2  1  0  0  0  0
 10  4  1  0  0  0  0
 11 10  1  0  0  0  0
 12  3  1  0  0  0  0
 13 12  3  0  0  0  0
 14 20  2  0  0  0  0
 15  5  1  0  0  0  0
 16  8  1  0  0  0  0
 17  4  2  0  0  0  0
 18  8  2  0  0  0  0
 19  6  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  2  0  0  0  0
 22 15  1  0  0  0  0
 23 15  2  0  0  0  0
 24  9  1  0  0  0  0
 25 11  1  0  0  0  0
 26 24  2  0  0  0  0
 27 25  2  0  0  0  0
  6  7  1  0  0  0  0
  9 11  2  0  0  0  0
 14 21  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (2,851)
2851

>  <Formula> (2,851)
C19H11N3O5

>  <MolWeight> (2,851)
361.30774

>  <COMPOUND_NAME> (2,851)
WAY-297112

>  <BAR_CODE_NO> (2,851)
3898102

$$$$
WAY-297116
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -2.2586    1.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2586    0.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4724    1.3966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9724    1.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4724    0.0621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9724   -0.0931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9862    0.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6862    1.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6862    0.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000    0.4759    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5103    0.8966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2241    0.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2241   -0.3414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9379    0.8966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9379   -0.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9276   -1.5759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6414   -0.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6414   -1.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2138   -1.9862    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3517   -0.7483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3517   -1.5759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  6  9  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  2  0  0  0  0
 18 21  2  0  0  0  0
  5  7  1  0  0  0  0
  8  9  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (2,852)
2852

>  <Formula> (2,852)
C14H11FN4OS

>  <MolWeight> (2,852)
302.3267432

>  <COMPOUND_NAME> (2,852)
WAY-297116

>  <BAR_CODE_NO> (2,852)
3898107

$$$$
WAY-297130
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    0.7172    0.8931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0241    0.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1483    1.4828    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.9379    0.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2448    0.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4517    1.5138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8552    2.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8655    1.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3483   -0.2069    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6552    0.0241    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9621    0.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2759    2.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1483    2.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1552    0.7517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2966    2.0034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1931   -0.6483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7034   -1.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9034   -0.7966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9345   -1.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1241   -1.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6345   -2.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5448   -2.4655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6724   -2.7759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0138   -3.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  2  0  0  0  0
 11 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
  5  9  1  0  0  0  0
 20 21  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (2,853)
2853

>  <Formula> (2,853)
C16H15NO5S2

>  <MolWeight> (2,853)
365.424

>  <COMPOUND_NAME> (2,853)
WAY-297130

>  <BAR_CODE_NO> (2,853)
3898122

$$$$
WAY-297132
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
    2.1862    1.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3862    0.9793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8034    0.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2414    1.9448    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9862    1.6793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0655    0.2241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6414   -0.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5241    2.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1655    1.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8862   -0.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2655   -0.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4034    3.1069    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2345    0.9793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7414   -1.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1241   -1.5207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0586    0.9793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3655   -1.7931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4759    0.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2966    0.2586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0586   -0.4414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7138   -0.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2966   -1.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5138   -0.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7138   -1.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9345   -1.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5345   -1.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9759   -2.5931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  2  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  2  0  0  0  0
 26 27  1  0  0  0  0
  5  8  1  0  0  0  0
 15 17  2  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (2,854)
2854

>  <Formula> (2,854)
C20H18N2O3S2

>  <MolWeight> (2,854)
398.49852

>  <COMPOUND_NAME> (2,854)
WAY-297132

>  <BAR_CODE_NO> (2,854)
3898124

$$$$
WAY-297152
csChFnd80/06171916322D

 17 18  0  0  0  0  0  0  0  0999 V2000
    1.3270   -0.4882    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4895    0.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1270   -0.9299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4103    0.5326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7895   -0.3049    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7895    1.0326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6730    0.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8272    0.0701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8105    1.3118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0897    0.7118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2728   -1.8674    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1105   -0.5049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5020   -0.8799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3897    1.5701    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.2480   -0.1882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7105   -0.2674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8480   -1.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  2  0  0  0  0
  6  2  1  0  0  0  0
  7  9  1  0  0  0  0
  8 12  1  0  0  0  0
  9 10  2  0  0  0  0
 10  6  1  0  0  0  0
 11  3  1  0  0  0  0
 12 15  2  0  0  0  0
 13  1  1  0  0  0  0
 14  7  1  0  0  0  0
 15 10  1  0  0  0  0
 16  8  1  0  0  0  0
 17 16  1  0  0  0  0
  5  4  1  0  0  0  0
  8  7  2  0  0  0  0
M  END
>  <Mol_ID> (2,855)
2855

>  <Formula> (2,855)
C11H12BrN3OS

>  <MolWeight> (2,855)
314.20148

>  <COMPOUND_NAME> (2,855)
WAY-297152

>  <BAR_CODE_NO> (2,855)
3898148

$$$$
WAY-297162
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -1.2759    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4655    0.5759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0931    0.5759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2759   -0.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3448    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4655    1.5138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9138    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0897    1.5414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0931   -1.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1552    0.5759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1552    1.5138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9138   -0.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9621    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7655   -1.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7862    0.5759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9621   -0.8379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6069    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7724   -1.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6069   -0.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
 10 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
  9 12  2  0  0  0  0
 10 11  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (2,856)
2856

>  <Formula> (2,856)
C16H14N2O

>  <MolWeight> (2,856)
250.29516

>  <COMPOUND_NAME> (2,856)
WAY-297162

>  <BAR_CODE_NO> (2,856)
3898162

$$$$
WAY-297174
csChFnd80/06171916322D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -0.8414   -0.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0966   -0.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6207   -0.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2207    0.8793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9069    0.2690    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2966   -1.4207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4828   -0.1897    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4517   -1.7414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1931    0.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7034    1.7897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8483   -0.0690    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.4724   -2.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8207    1.6483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6276    0.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0069   -1.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5690    0.2379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4586    1.5897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  9 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
  7  9  1  0  0  0  0
  8 12  2  0  0  0  0
M  END
>  <Mol_ID> (2,857)
2857

>  <Formula> (2,857)
C11H12N2O2S2

>  <MolWeight> (2,857)
268.35518

>  <COMPOUND_NAME> (2,857)
WAY-297174

>  <BAR_CODE_NO> (2,857)
3898182

$$$$
WAY-297178
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -2.1307    1.1055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1307    0.7986    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1307    2.1676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0652    0.5572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5169    1.6193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7755   -0.2669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1307    2.4917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0652    2.6848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9686    1.1055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5452    1.6193    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2555   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9686    2.1676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5762   -1.4911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6107   -1.7187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3038   -0.9428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9314   -2.7152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3348   -1.1704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9486   -2.9428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6555   -2.1842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7210   -2.3945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  8 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 19 20  1  0  0  0  0
  5  7  2  0  0  0  0
  9 12  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (2,858)
2858

>  <Formula> (2,858)
C16H17N3O

>  <MolWeight> (2,858)
267.32568

>  <COMPOUND_NAME> (2,858)
WAY-297178

>  <BAR_CODE_NO> (2,858)
3898188

$$$$
WAY-297244
csChFnd80/06171916322D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -0.7000   -0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3500    0.5708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9042    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0500   -0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4500    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0292    1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458   -1.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9333   -2.4667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5292   -1.1167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1958    0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9500   -1.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0667   -2.0375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8542    2.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8500   -2.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9833    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5000   -1.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5333    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2708    0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  6  1  0  0  0  0
  3  5  2  0  0  0  0
  4  9  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  1  2  0  0  0  0
  8  7  1  0  0  0  0
  9  3  1  0  0  0  0
 10  1  1  0  0  0  0
 11 10  2  0  0  0  0
 12  4  2  0  0  0  0
 13  6  2  0  0  0  0
 14  7  1  0  0  0  0
 15 10  1  0  0  0  0
 16 11  1  0  0  0  0
 17 15  2  0  0  0  0
 18 17  1  0  0  0  0
  8 11  1  0  0  0  0
 16 18  2  0  0  0  0
  2  4  1  0  0  0  0
M  END
>  <Mol_ID> (2,859)
2859

>  <Formula> (2,859)
C13H10N2OS2

>  <MolWeight> (2,859)
274.3613

>  <COMPOUND_NAME> (2,859)
WAY-297244

>  <BAR_CODE_NO> (2,859)
3898300

$$$$
WAY-297255
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    6.2000   -3.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8875   -3.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042   -2.0542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1042   -2.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1667   -1.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5875   -2.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4500   -4.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7542   -2.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3042   -2.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8375   -2.0542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0667   -3.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9042   -4.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1667   -0.7500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2792   -3.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9042   -4.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6167   -3.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3375   -4.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7292   -2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2667   -4.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6167   -5.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3375   -4.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0500   -5.3542    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  1  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7  1  1  0  0  0  0
  8  6  1  0  0  0  0
  9  4  2  0  0  0  0
 10  6  1  0  0  0  0
 11  2  1  0  0  0  0
 12  1  1  0  0  0  0
 13  5  2  0  0  0  0
 14  8  2  0  0  0  0
 15 12  2  0  0  0  0
 16 12  1  0  0  0  0
 17 21  1  0  0  0  0
 18  4  1  0  0  0  0
 19  7  1  0  0  0  0
 20 15  1  0  0  0  0
 21 16  2  0  0  0  0
 22 17  1  0  0  0  0
  9  2  1  0  0  0  0
 20 17  2  0  0  0  0
  5  3  1  0  0  0  0
M  END
>  <Mol_ID> (2,860)
2860

>  <Formula> (2,860)
C16H13ClN2OS2

>  <MolWeight> (2,860)
348.87022

>  <COMPOUND_NAME> (2,860)
WAY-297255

>  <BAR_CODE_NO> (2,860)
3898315

$$$$
WAY-297264
csChFnd80/06171916322D

 18 19  0  0  0  0  0  0  0  0999 V2000
    1.4621    0.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1828   -0.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3241    0.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0448    1.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2828   -0.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4241    1.4172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9621   -0.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6828    1.8138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1621    1.3310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000    0.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0241   -1.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1552   -0.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8379   -1.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4172   -0.9483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8552    0.1862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0552   -1.1483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8724    0.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0517   -0.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
  6  8  1  0  0  0  0
 13 14  2  0  0  0  0
M  END
>  <Mol_ID> (2,861)
2861

>  <Formula> (2,861)
C13H13NO4

>  <MolWeight> (2,861)
247.24662

>  <COMPOUND_NAME> (2,861)
WAY-297264

>  <BAR_CODE_NO> (2,861)
3898326

$$$$
WAY-297265
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -0.2000   -0.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8862    0.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000    0.0552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000   -1.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8862    0.8586    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.5724   -0.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1793   -0.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000    0.8586    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.8862   -1.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000    1.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5724    1.2552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5724   -1.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1793   -1.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8655    0.0552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1793    1.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5724    2.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8655   -1.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000   -1.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8862    2.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2586    2.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8655   -2.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000   -2.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8862    3.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2586    3.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1793   -2.7276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5483   -2.7069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5724    3.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5483   -3.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  7 14  2  0  0  0  0
  8 15  1  0  0  0  0
 11 16  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  2  0  0  0  0
 16 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 21  2  0  0  0  0
 18 22  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  2  0  0  0  0
 21 25  1  0  0  0  0
 21 26  1  0  0  0  0
 23 27  2  0  0  0  0
 26 28  1  0  0  0  0
  8 10  1  0  0  0  0
  9 12  1  0  0  0  0
 22 25  2  0  0  0  0
 24 27  1  0  0  0  0
M  END
>  <Mol_ID> (2,862)
2862

>  <Formula> (2,862)
C24H24N2O2

>  <MolWeight> (2,862)
372.45956

>  <COMPOUND_NAME> (2,862)
WAY-297265

>  <BAR_CODE_NO> (2,862)
3898327

$$$$
WAY-297342
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -1.0961    1.0231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1547    0.6783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4547    0.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7306    2.0921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1547   -0.4596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1202    1.2231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0961   -0.8045    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6625    0.0749    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4857    2.9231    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3591    2.3024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1202   -1.0251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1064    0.6783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2074   -0.9010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1064   -0.4493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3384   -0.9286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6556   -1.8665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8901   -1.9045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8901    0.0473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0108   -1.9045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0281    0.0266    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5832   -0.9286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  8 13  1  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
  5  7  1  0  0  0  0
 12 14  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (2,863)
2863

>  <Formula> (2,863)
C15H15N3O2S

>  <MolWeight> (2,863)
301.3635

>  <COMPOUND_NAME> (2,863)
WAY-297342

>  <BAR_CODE_NO> (2,863)
3898440

$$$$
WAY-297345
csChFnd80/06171916322D

 14 15  0  0  0  0  0  0  0  0999 V2000
    0.4103   -0.0069    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.4138    0.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8966    0.6655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8966   -0.6724    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8276   -0.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8276    0.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6862    0.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6793   -0.4172    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.6414   -0.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6414    0.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3483    0.8897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3483   -0.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0448    0.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8690    0.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  2  0  0  0  0
 13 14  1  0  0  0  0
  7  8  1  0  0  0  0
 10 13  1  0  0  0  0
M  END
>  <Mol_ID> (2,864)
2864

>  <Formula> (2,864)
C11H13NOS

>  <MolWeight> (2,864)
207.29202

>  <COMPOUND_NAME> (2,864)
WAY-297345

>  <BAR_CODE_NO> (2,864)
3898444

$$$$
WAY-297357
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -2.4054   -0.3340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7502   -0.6892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1606   -0.6029    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4054    0.4729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0502   -0.2823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7606   -1.4995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6468    0.0419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1951    0.7108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3502   -0.7133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0502   -1.8960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4433    0.1384    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5261    1.4453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3532   -0.2926    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3502   -1.4995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7778    0.8522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3158    1.5315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0532   -0.7133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7532   -0.2926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0532   -1.5202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4532   -0.7133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7532    0.5177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1532   -0.2926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4532    0.9040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1532    0.5177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8532   -0.7133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4532    1.7143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8532    0.9040    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8429   -1.5202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1532    2.1108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8532    1.7143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  2  0  0  0  0
 11 15  2  0  0  0  0
 12 16  2  0  0  0  0
 13 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 18 21  2  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 23 26  1  0  0  0  0
 24 27  1  0  0  0  0
 25 28  1  0  0  0  0
 26 29  1  0  0  0  0
 27 30  1  0  0  0  0
  7  8  2  0  0  0  0
 10 14  1  0  0  0  0
 15 16  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (2,865)
2865

>  <Formula> (2,865)
C22H19N3O5

>  <MolWeight> (2,865)
405.40336

>  <COMPOUND_NAME> (2,865)
WAY-297357

>  <BAR_CODE_NO> (2,865)
3898464

$$$$
WAY-297382
csChFnd80/06171916322D

 18 19  0  0  0  0  0  0  0  0999 V2000
    2.1998   -1.8588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7998   -1.5485    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2101   -0.8071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6308   -3.2278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3412   -0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5964   -1.1623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0446   -3.5899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0554    0.1136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3239    0.8584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0274   -2.5312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5757   -0.0795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5174    1.4998    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9312    1.8101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3450    3.2239    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0933    0.9619    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8243    3.2239    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2830    1.8722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7002    1.4239    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  8 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
  7 10  2  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (2,866)
2866

>  <Formula> (2,866)
C11H12N4OS2

>  <MolWeight> (2,866)
280.36918

>  <COMPOUND_NAME> (2,866)
WAY-297382

>  <BAR_CODE_NO> (2,866)
3898494

$$$$
WAY-297408
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -2.3034   -0.4276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4241   -0.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5828    0.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3034   -2.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4241    1.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4655   -0.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3034    1.5690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1448    0.6103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7828   -2.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4655    1.8103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5034   -0.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9759    1.6483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3379   -1.6276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5034    1.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1759    1.6483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8172    2.7690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1379   -1.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9793    0.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8172    2.9310    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.8586   -2.8276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8586   -0.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1379    1.6483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3379    2.9310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2966   -2.7483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2966   -4.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2172   -0.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9379   -1.5483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  2  0  0  0  0
 12 15  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  1  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
 17 20  2  0  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  1  0  0  0  0
 20 25  1  0  0  0  0
 21 26  2  0  0  0  0
 24 27  2  0  0  0  0
  5  7  1  0  0  0  0
 11 14  1  0  0  0  0
 22 23  2  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (2,867)
2867

>  <Formula> (2,867)
C21H19N3O2S

>  <MolWeight> (2,867)
377.45946

>  <COMPOUND_NAME> (2,867)
WAY-297408

>  <BAR_CODE_NO> (2,867)
3898529

$$$$
WAY-297410
csChFnd80/06171916322D

 30 32  0  0  0  0  0  0  0  0999 V2000
   -0.7655   -2.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000   -1.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0483   -2.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4241   -2.5828    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8241   -1.3034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4862   -0.6483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6241   -1.7172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0655   -2.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3172   -0.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3966   -0.9207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4483   -1.8966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9034   -2.2207    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1517   -0.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9621   -0.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0138   -1.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6862   -0.1172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4759   -1.5207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7759   -0.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7241    0.5034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3345    0.0828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3138    1.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1448   -0.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1000    1.8793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7000    2.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3000    2.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4828    3.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4828    2.2517    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0759    2.8966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6828    3.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4966    4.3034    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  2  0  0  0  0
 13 16  1  0  0  0  0
 13 17  2  0  0  0  0
 14 18  2  0  0  0  0
 14 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
 25 28  2  0  0  0  0
 26 29  2  0  0  0  0
 29 30  1  0  0  0  0
  5  8  1  0  0  0  0
 15 18  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (2,868)
2868

>  <Formula> (2,868)
C20H15Cl2NO5S2

>  <MolWeight> (2,868)
484.3728

>  <COMPOUND_NAME> (2,868)
WAY-297410

>  <BAR_CODE_NO> (2,868)
3898532

$$$$
WAY-297439
csChFnd80/06171916322D

 29 31  0  0  0  0  0  0  0  0999 V2000
   -1.8759    0.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4759    0.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1966    0.5310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9552    1.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0552    0.8103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6966   -0.3276    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5966    0.9724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3552    2.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6345    0.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4345   -0.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6759    1.6931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0828    0.6517    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4345    2.7517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1655   -0.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4966    3.4931    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1759    2.6724    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6966    2.8138    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.8655   -0.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9241   -1.1276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4655    0.0310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6034   -1.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6655   -2.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2034   -1.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3448   -2.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8828   -1.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9241   -2.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6034   -2.3483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6655   -3.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3448   -3.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
  8 11  2  0  0  0  0
  9 10  2  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (2,869)
2869

>  <Formula> (2,869)
C19H16F3N3O2S2

>  <MolWeight> (2,869)
439.4744496

>  <COMPOUND_NAME> (2,869)
WAY-297439

>  <BAR_CODE_NO> (2,869)
3898566

$$$$
WAY-297492
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -0.4857    0.7623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2995    0.2864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3212    0.2864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4857    1.7002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2995   -0.6619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1167    0.7623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1350    0.7623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1350    1.7002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1167   -1.1343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9374    0.2864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1098    1.7278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9384    0.2864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9374   -0.6619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0995   -2.1136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9384   -0.6515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7626    0.7623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2616   -2.5895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7522   -1.1343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5833    0.2864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5833   -0.6619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  9 13  2  0  0  0  0
  9 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 18 20  1  0  0  0  0
  7  8  1  0  0  0  0
 10 13  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (2,870)
2870

>  <Formula> (2,870)
C16H14N2O2

>  <MolWeight> (2,870)
266.29456

>  <COMPOUND_NAME> (2,870)
WAY-297492

>  <BAR_CODE_NO> (2,870)
3898631

$$$$
WAY-297499
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -1.0862   -0.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4655   -0.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2862   -0.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5276    0.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2655   -0.7414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0724    0.2172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7483   -1.1034    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8862   -0.8828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1276    0.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5724   -0.1621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2276   -1.4621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1069   -1.6241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3276   -0.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2138   -0.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4138    0.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6517   -0.4621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9724    1.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0138    0.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1517    1.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2138    1.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7724    1.7966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  2  0  0  0  0
  7 12  2  0  0  0  0
  8 13  2  0  0  0  0
 10 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
  5  7  1  0  0  0  0
  9 13  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (2,871)
2871

>  <Formula> (2,871)
C14H11N3O3S

>  <MolWeight> (2,871)
301.32044

>  <COMPOUND_NAME> (2,871)
WAY-297499

>  <BAR_CODE_NO> (2,871)
3898638

$$$$
WAY-297527
csChFnd80/06171916322D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -2.2379    0.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2379   -1.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2966    0.5828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1966    0.5828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2966   -1.6345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1966   -1.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3483    0.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2966    1.6828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1483    0.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3483   -1.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1483   -1.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6207    0.5828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6207   -1.6345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5828    0.0345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6207    1.6828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5310    0.5828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4931    0.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4414    0.5828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4034    0.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4414    1.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
 10 13  2  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <Mol_ID> (2,872)
2872

>  <Formula> (2,872)
C15H22N2O3

>  <MolWeight> (2,872)
278.34678

>  <COMPOUND_NAME> (2,872)
WAY-297527

>  <BAR_CODE_NO> (2,872)
3898685

$$$$
WAY-297532
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
    0.2172    0.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4931    0.5793    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.2172   -0.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9897    0.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4931    1.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1828    0.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9897   -0.8724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4931   -1.0414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4517   -0.2310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2310    1.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1828    1.7897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000    1.7897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1828   -0.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8690    0.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2793   -1.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1828    2.6034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8690    1.3793    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000    2.6034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9000   -1.0414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5931    1.0517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7552   -2.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0690   -1.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4931    3.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0793   -3.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3897   -2.5207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8690   -3.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
  6 13  2  0  0  0  0
  6 14  1  0  0  0  0
  7 15  1  0  0  0  0
 11 16  2  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
 13 19  1  0  0  0  0
 14 20  3  0  0  0  0
 15 21  2  0  0  0  0
 15 22  1  0  0  0  0
 16 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  2  0  0  0  0
 24 26  2  0  0  0  0
  7  9  1  0  0  0  0
  8 13  1  0  0  0  0
 18 23  2  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (2,873)
2873

>  <Formula> (2,873)
C20H15FN4O

>  <MolWeight> (2,873)
346.3577032

>  <COMPOUND_NAME> (2,873)
WAY-297532

>  <BAR_CODE_NO> (2,873)
3898690

$$$$
WAY-297533
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
    1.0655   -0.5759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6241   -0.8966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5034   -0.8966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0655    0.0655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1862   -0.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6241   -1.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0586   -0.5759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5034    0.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7414   -0.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1862   -1.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6138   -0.8966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0586    0.0655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5034    1.0483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7414   -1.5345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6138   -1.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1759   -0.5759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0586    1.3655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1759   -1.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7345   -0.8966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0586    2.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7345   -1.5345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6138    2.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1759    2.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6138    2.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1759    1.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6138    1.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7345    1.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6138    0.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7345    0.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1759    0.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  1  0  0  0  0
 13 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  2  0  0  0  0
 18 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 26 28  2  0  0  0  0
 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
  8 12  2  0  0  0  0
 10 14  1  0  0  0  0
 19 21  1  0  0  0  0
 29 30  2  0  0  0  0
M  END
>  <Mol_ID> (2,874)
2874

>  <Formula> (2,874)
C21H27N7O2

>  <MolWeight> (2,874)
409.48478

>  <COMPOUND_NAME> (2,874)
WAY-297533

>  <BAR_CODE_NO> (2,874)
3898691

$$$$
WAY-297545
csChFnd80/06171916322D

 20 21  0  0  0  0  0  0  0  0999 V2000
    0.0094    0.7689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3566    1.5169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0104   -0.7665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3081    1.5565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6791    0.7293    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3764    3.0573    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3576   -1.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6553    0.8086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0214    1.4772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6543   -0.8061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6801   -0.7269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3774   -3.0598    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9778    1.5961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3488    0.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9768   -1.5986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0224   -1.4797    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0550   -3.8523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9530    3.1415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3240   -0.8458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3498   -0.6873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 13 18  1  0  0  0  0
 14 19  1  0  0  0  0
 16 20  1  0  0  0  0
  8 11  1  0  0  0  0
 15 19  1  0  0  0  0
M  END
>  <Mol_ID> (2,875)
2875

>  <Formula> (2,875)
C14H19NO4S

>  <MolWeight> (2,875)
297.36996

>  <COMPOUND_NAME> (2,875)
WAY-297545

>  <BAR_CODE_NO> (2,875)
3898707

$$$$
WAY-297550
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -2.2207   -0.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2241    0.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9448   -0.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5069   -0.4828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5138    1.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9448    1.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6586   -0.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9448   -1.3103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7828   -0.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7862    0.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6586    0.7517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6586   -1.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0690   -0.4759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0759    1.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6414    0.7759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0759    2.0034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6414   -0.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3517    1.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3517   -0.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0655    0.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0655   -0.0586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7793   -0.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4931   -0.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7793   -1.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2034   -0.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4931   -1.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2034   -1.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  2  0  0  0  0
 10 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
  7 11  2  0  0  0  0
  9 10  1  0  0  0  0
 20 21  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <Mol_ID> (2,876)
2876

>  <Formula> (2,876)
C21H20N2O4

>  <MolWeight> (2,876)
364.3945

>  <COMPOUND_NAME> (2,876)
WAY-297550

>  <BAR_CODE_NO> (2,876)
3898714

$$$$
WAY-297570
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -1.1964   -0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1964   -1.0650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4826   -0.0685    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8481    0.0798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8481   -1.4340    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4826   -1.3167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2481    0.6350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0446   -0.6823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4964   -0.3167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8481    0.8315    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4964   -1.0650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8481   -2.1823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5036    0.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1481    0.0660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1481   -1.4340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0036    0.2350    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7071    1.4833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7174    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9519    1.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2174   -0.1650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7036    1.2660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4519    1.6660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9554   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2036    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9174    0.8660    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  7 13  1  0  0  0  0
  9 14  1  0  0  0  0
 11 15  2  0  0  0  0
 13 16  1  0  0  0  0
 13 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
  6  8  2  0  0  0  0
  9 11  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (2,877)
2877

>  <Formula> (2,877)
C16H16BrN5O3

>  <MolWeight> (2,877)
406.23394

>  <COMPOUND_NAME> (2,877)
WAY-297570

>  <BAR_CODE_NO> (2,877)
3898737

$$$$
WAY-297575
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.4552    0.1621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1414   -0.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2448   -0.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4414    0.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1552   -0.9586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7793    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7207    0.5034    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.4207   -0.8586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2966    1.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0552    1.3862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8207   -1.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4552   -0.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4966    0.5034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4793   -0.9138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8966    1.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8793   -0.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1552   -1.2759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6793    1.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6586   -0.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2034   -2.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0448    0.5034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7966    0.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
 11 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
  7  9  1  0  0  0  0
 12 14  1  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <Mol_ID> (2,878)
2878

>  <Formula> (2,878)
C16H21N3O3

>  <MolWeight> (2,878)
303.35624

>  <COMPOUND_NAME> (2,878)
WAY-297575

>  <BAR_CODE_NO> (2,878)
3898743

$$$$
WAY-297581
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -2.2034    0.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0483    0.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2034   -1.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2241    0.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3483   -0.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6862    1.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0483   -1.5724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2241   -1.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2655    0.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4966    1.7655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4862    2.4138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2655   -1.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2759    0.8655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4345    1.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2138    0.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3759    0.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0759   -0.9724    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.9517   -0.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1759   -1.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  6 10  1  0  0  0  0
  6 11  2  0  0  0  0
  8 12  2  0  0  0  0
 10 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
  5  7  1  0  0  0  0
  9 12  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (2,879)
2879

>  <Formula> (2,879)
C14H11N3OS

>  <MolWeight> (2,879)
269.32164

>  <COMPOUND_NAME> (2,879)
WAY-297581

>  <BAR_CODE_NO> (2,879)
3898751

$$$$
WAY-297598
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -3.8584    1.9724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9274    3.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6136    1.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0067    1.1552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7653    4.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1688    3.9759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4412    2.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2722    1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5205    3.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3550    3.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1485    1.1448    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1485   -1.0552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9312    1.0759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1140    2.6759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5174   -2.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7588   -1.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2519   -3.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8657   -2.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3588   -4.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6692   -3.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2588   -1.8828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7381   -4.6448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4312   -0.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7381   -6.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  2  0  0  0  0
 12 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (2,880)
2880

>  <Formula> (2,880)
C16H17NO6S

>  <MolWeight> (2,880)
351.37428

>  <COMPOUND_NAME> (2,880)
WAY-297598

>  <BAR_CODE_NO> (2,880)
3898775

$$$$
WAY-297620
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    0.9552   -0.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5448   -1.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1759    0.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1310   -0.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3552   -0.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3138   -1.8379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5828    0.9966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9828    0.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0862   -1.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5828    0.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9655   -1.3793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5069   -2.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2241    0.7828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7828   -1.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8172    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6241    0.0448    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5862    1.0207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6862    2.2724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4690    0.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3862    1.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1069   -0.3862    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0690    0.8621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8448    1.1724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9862    0.0138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  2  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
  8 10  2  0  0  0  0
  9 12  1  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (2,881)
2881

>  <Formula> (2,881)
C17H13NO4S2

>  <MolWeight> (2,881)
359.41942

>  <COMPOUND_NAME> (2,881)
WAY-297620

>  <BAR_CODE_NO> (2,881)
3898801

$$$$
WAY-297629
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -1.3724    0.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7207    0.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3724   -0.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0207    0.8552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0724    0.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7207    1.5966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0207   -0.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7207   -0.6448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6724    0.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5724    0.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5793    1.5931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6724   -0.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0207   -1.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2241    0.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3207   -0.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6724   -1.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8655    0.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2241   -0.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3276   -1.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5172    0.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8724   -0.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5241   -0.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1655    0.8552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1724   -0.6517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8172    0.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1724   -1.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
 10 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
 14 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  2  0  0  0  0
 17 20  2  0  0  0  0
 18 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
  9 12  2  0  0  0  0
 10 11  1  0  0  0  0
 16 19  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (2,882)
2882

>  <Formula> (2,882)
C21H18N2O3

>  <MolWeight> (2,882)
346.37922

>  <COMPOUND_NAME> (2,882)
WAY-297629

>  <BAR_CODE_NO> (2,882)
3898812

$$$$
WAY-297668
csChFnd80/06171916322D

 24 27  0  0  0  0  0  0  0  0999 V2000
    2.2034    0.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1345    0.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9241   -0.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6034    0.9862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4345   -0.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7448    0.9966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6655   -1.1034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0241   -0.7345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6828    0.8172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3448   -0.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6759    0.8276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3828   -0.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9759   -0.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5069   -0.2414    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1448    0.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0448    0.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6759    0.9586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3552   -0.6034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5862    0.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2552   -0.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8759   -0.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8069   -0.3034    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -5.1069   -1.1724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4345    0.3966    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
  5  7  1  0  0  0  0
  9 12  2  0  0  0  0
 11 13  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (2,883)
2883

>  <Formula> (2,883)
C16H11N5O2S

>  <MolWeight> (2,883)
337.35584

>  <COMPOUND_NAME> (2,883)
WAY-297668

>  <BAR_CODE_NO> (2,883)
3898868

$$$$
WAY-297674
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -1.6138    0.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6138   -0.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8897    0.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3414    0.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8897   -0.9828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3379   -0.9793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1724    0.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0552    0.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1724   -0.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0552   -0.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5345    0.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7759    0.6862    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.5448   -0.9759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2483    0.2759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7138    1.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4931    0.2655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7793    1.5138    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.8621    0.8276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5276    1.5793    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.6724    0.6552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9276   -0.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3724   -0.7517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7379   -0.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6276   -1.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9931   -1.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4345   -1.7172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  2  0  0  0  0
 11 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12 16  2  0  0  0  0
 12 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
 18 19  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <Mol_ID> (2,884)
2884

>  <Formula> (2,884)
C18H11N3O4S

>  <MolWeight> (2,884)
365.36264

>  <COMPOUND_NAME> (2,884)
WAY-297674

>  <BAR_CODE_NO> (2,884)
3898877

$$$$
WAY-297743
csChFnd80/06171916322D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -0.3793    0.3207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3793   -0.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0586    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0586   -0.8793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3000   -0.8793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3000    1.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9828    0.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7379    0.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0586    1.5069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7379   -0.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9828   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9828    1.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6621    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4172    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4172   -0.8793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6414   -0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6621    1.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1000    0.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1000   -0.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3414   -0.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8000   -1.6793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9000   -1.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5621   -1.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 13 18  1  0  0  0  0
 15 19  2  0  0  0  0
 16 20  2  0  0  0  0
 17 21  2  0  0  0  0
 17 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
  9 11  2  0  0  0  0
 14 18  2  0  0  0  0
 19 20  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (2,885)
2885

>  <Formula> (2,885)
C20H14N2O2

>  <MolWeight> (2,885)
314.33736

>  <COMPOUND_NAME> (2,885)
WAY-297743

>  <BAR_CODE_NO> (2,885)
3898967

$$$$
WAY-297841
csChFnd80/06171916322D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.5069   -0.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0724   -0.8793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2931   -0.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7345    0.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8724   -0.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8310   -1.6724    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.8655    0.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5345    0.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1103    0.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3966   -2.2724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0310   -1.8586    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.6138    0.1517    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8276    1.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9655    0.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5793    1.4517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2276    1.9931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7138    0.8414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  6 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 14 17  2  0  0  0  0
  8  9  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (2,886)
2886

>  <Formula> (2,886)
C10H7N3O3S

>  <MolWeight> (2,886)
249.24588

>  <COMPOUND_NAME> (2,886)
WAY-297841

>  <BAR_CODE_NO> (2,886)
3899103

$$$$
WAY-297853
csChFnd80/06171916322D

 20 23  0  0  0  0  0  0  0  0999 V2000
   -0.0757   -0.2450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0450   -0.5278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6964    0.7653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8860   -1.1450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8657    0.3136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3657   -1.6554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8550    0.4826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9757   -0.6657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0036    0.0032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5450    1.4653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5036   -1.9657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8343    1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0343   -1.1761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3243   -1.1174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8347    0.8446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3761    2.3032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9136    0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0136   -0.5071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5347    1.9929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1136   -0.9761    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  2  0  0  0  0
  8 13  2  0  0  0  0
  9 14  2  0  0  0  0
  9 15  1  0  0  0  0
 10 16  2  0  0  0  0
 12 17  1  0  0  0  0
 13 18  1  0  0  0  0
 15 19  2  0  0  0  0
 18 20  1  0  0  0  0
  7  8  1  0  0  0  0
 11 14  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (2,887)
2887

>  <Formula> (2,887)
C17H12N2O

>  <MolWeight> (2,887)
260.28998

>  <COMPOUND_NAME> (2,887)
WAY-297853

>  <BAR_CODE_NO> (2,887)
3899121

$$$$
WAY-297859
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -0.1069   -0.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1069   -1.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6172   -0.2414    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.8207   -0.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8207   -1.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6069   -1.9034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6172    0.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3310   -0.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5310   -0.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5310   -1.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8207   -2.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3172   -1.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1069    0.9966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3310    0.9966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2483   -0.2448    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.2448   -1.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5310   -3.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0448   -1.9034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1069    1.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3310    1.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2448   -2.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6172    2.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8207    2.2483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0448    2.2483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6172    3.0724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5310    1.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7586    1.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3310    3.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  2  0  0  0  0
  9 15  1  0  0  0  0
 10 16  2  0  0  0  0
 11 17  1  0  0  0  0
 12 18  2  0  0  0  0
 13 19  2  0  0  0  0
 14 20  1  0  0  0  0
 16 21  1  0  0  0  0
 19 22  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  1  0  0  0  0
 22 25  1  0  0  0  0
 23 26  1  0  0  0  0
 24 27  1  0  0  0  0
 25 28  1  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
 17 21  2  0  0  0  0
 20 22  2  0  0  0  0
M  END
>  <Mol_ID> (2,888)
2888

>  <Formula> (2,888)
C22H20BrNO4

>  <MolWeight> (2,888)
442.3025

>  <COMPOUND_NAME> (2,888)
WAY-297859

>  <BAR_CODE_NO> (2,888)
3899127

$$$$
WAY-297863
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
    3.9792    0.0208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5042   -0.8042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4542    0.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5667   -0.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8958    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667    0.3333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8292   -1.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5667    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0625    0.7958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8958   -0.6542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458    0.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5958    0.2708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4500    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2042   -2.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7667   -1.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8667    2.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000    1.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2708    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4500    1.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1292    3.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8042    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5167   -3.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1000   -2.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2833    2.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1208    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1292    3.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4875   -3.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1208    1.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  2  0  0  0  0
  5  2  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  2  0  0  0  0
  8  3  1  0  0  0  0
  9  2  1  0  0  0  0
 10  4  1  0  0  0  0
 11  7  1  0  0  0  0
 12  6  2  0  0  0  0
 13  6  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16  9  2  0  0  0  0
 17  9  1  0  0  0  0
 18 10  1  0  0  0  0
 19 10  2  0  0  0  0
 20 15  2  0  0  0  0
 21 15  1  0  0  0  0
 22 18  2  0  0  0  0
 23 19  1  0  0  0  0
 24 16  1  0  0  0  0
 25 17  2  0  0  0  0
 26 21  2  0  0  0  0
 27 20  1  0  0  0  0
 28 23  2  0  0  0  0
 29 25  1  0  0  0  0
 30 26  1  0  0  0  0
  3  5  2  0  0  0  0
 22 28  1  0  0  0  0
 29 24  2  0  0  0  0
 27 30  2  0  0  0  0
M  END
>  <Mol_ID> (2,889)
2889

>  <Formula> (2,889)
C24H20N4O2

>  <MolWeight> (2,889)
396.4412

>  <COMPOUND_NAME> (2,889)
WAY-297863

>  <BAR_CODE_NO> (2,889)
3899131

$$$$
WAY-297878
csChFnd80/06171916322D

 32 35  0  0  0  0  0  0  0  0999 V2000
    0.5759   -0.4586    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.1793   -0.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5759    0.9931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3379   -0.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1793   -1.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9414   -0.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1793    1.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3379    1.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3379   -1.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1207   -0.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5759   -2.2172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9414   -2.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7000   -0.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9414    0.4414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9310    0.9862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1793    2.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3379    2.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1207   -2.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8759   -0.8793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1207    0.4414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7000   -1.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6828    1.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5759    2.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6483   -0.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4345    0.9828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4483   -0.8828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6483    0.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1828    1.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4241    0.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9310    0.9793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1724   -0.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9276    0.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  2  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 17  2  0  0  0  0
  9 18  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  2  0  0  0  0
 12 21  1  0  0  0  0
 15 22  1  0  0  0  0
 16 23  2  0  0  0  0
 19 24  1  0  0  0  0
 22 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
 25 28  2  0  0  0  0
 25 29  1  0  0  0  0
 28 30  1  0  0  0  0
 29 31  2  0  0  0  0
 30 32  2  0  0  0  0
  9 11  1  0  0  0  0
 13 21  1  0  0  0  0
 17 23  1  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <Mol_ID> (2,890)
2890

>  <Formula> (2,890)
C27H29NO4

>  <MolWeight> (2,890)
431.52346

>  <COMPOUND_NAME> (2,890)
WAY-297878

>  <BAR_CODE_NO> (2,890)
3899153

$$$$
WAY-297880
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -1.2448   -0.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0207   -0.9621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9966   -0.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7379    0.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6207   -1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2828   -1.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2241   -0.9621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4966    0.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0069    0.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6207   -2.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2241   -0.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9621   -1.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2345    0.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2724   -2.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4724   -0.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2276    0.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7414    1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4621   -0.1724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4655    0.9379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5034    1.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9793    1.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7000    0.2172    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.0172    2.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7483    2.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4276    0.0655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1931   -0.3345    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 12 16  2  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 18 21  2  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
 23 26  2  0  0  0  0
 23 27  1  0  0  0  0
  5  7  1  0  0  0  0
  9 11  1  0  0  0  0
 13 16  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (2,891)
2891

>  <Formula> (2,891)
C21H17N3O3

>  <MolWeight> (2,891)
359.37798

>  <COMPOUND_NAME> (2,891)
WAY-297880

>  <BAR_CODE_NO> (2,891)
3899156

$$$$
WAY-297895
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -1.0657   -0.1547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7933    0.0798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4588    0.2936    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8416   -0.8719    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3416   -0.4202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9416    0.8074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1412   -0.1547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0933   -0.8719    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0588   -0.1926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6450    1.0453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8550    0.0798    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2105    0.5453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5584    0.0798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9174    0.7798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2067   -0.0547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5584   -0.4202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0795    1.5177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8584    0.3281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2067   -0.8029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5067   -0.0547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8584   -1.1719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5067   -0.8029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1895    0.4177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  9 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
  7  8  2  0  0  0  0
 10 12  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (2,892)
2892

>  <Formula> (2,892)
C17H15N3O2S

>  <MolWeight> (2,892)
325.3849

>  <COMPOUND_NAME> (2,892)
WAY-297895

>  <BAR_CODE_NO> (2,892)
3899172

$$$$
WAY-297956
csChFnd80/06171916322D

 32 35  0  0  0  0  0  0  0  0999 V2000
    0.4276    0.1828    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.0310   -0.2552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6552    0.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9448   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0310   -1.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6345    0.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4034    0.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2138    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5931   -0.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9517   -1.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6828   -1.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3828   -1.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3483   -0.0448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8448    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5241    2.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5310    1.4207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2517   -0.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6069   -1.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6828   -2.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3828   -2.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2690    2.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0828    2.7897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2552   -1.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8966   -0.2103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0310   -2.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5724    2.9448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3862    3.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9103   -1.7138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8897    0.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0310   -3.2552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1310    3.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9138   -2.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  6 13  2  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  2  0  0  0  0
  9 17  2  0  0  0  0
 10 18  1  0  0  0  0
 11 19  1  0  0  0  0
 12 20  2  0  0  0  0
 15 21  1  0  0  0  0
 15 22  2  0  0  0  0
 17 23  1  0  0  0  0
 17 24  1  0  0  0  0
 19 25  2  0  0  0  0
 21 26  2  0  0  0  0
 22 27  1  0  0  0  0
 23 28  1  0  0  0  0
 24 29  1  0  0  0  0
 25 30  1  0  0  0  0
 26 31  1  0  0  0  0
 28 32  1  0  0  0  0
  6  7  1  0  0  0  0
 18 23  2  0  0  0  0
 20 25  1  0  0  0  0
 27 31  2  0  0  0  0
M  END
>  <Mol_ID> (2,893)
2893

>  <Formula> (2,893)
C25H21NO6

>  <MolWeight> (2,893)
431.43734

>  <COMPOUND_NAME> (2,893)
WAY-297956

>  <BAR_CODE_NO> (2,893)
3899251

$$$$
WAY-297967
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    0.2000   -0.0379    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.5000   -0.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9172   -0.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000    1.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000   -1.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000   -0.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9172   -1.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6276   -0.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5103    1.6621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9172    1.6621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000   -1.6724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000   -1.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9207   -0.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000    0.7793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6276   -1.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3276   -0.4621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6276    0.7793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5103    2.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9172    2.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9207   -1.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9793   -0.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000    2.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7207   -1.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4724   -1.8241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  2  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  2  0  0  0  0
  9 18  2  0  0  0  0
 10 19  1  0  0  0  0
 12 20  1  0  0  0  0
 16 21  1  0  0  0  0
 18 22  1  0  0  0  0
 20 23  1  0  0  0  0
 20 24  1  0  0  0  0
  7 11  1  0  0  0  0
 13 20  1  0  0  0  0
 19 22  2  0  0  0  0
M  END
>  <Mol_ID> (2,894)
2894

>  <Formula> (2,894)
C19H22N2O3

>  <MolWeight> (2,894)
326.38958

>  <COMPOUND_NAME> (2,894)
WAY-297967

>  <BAR_CODE_NO> (2,894)
3899268

$$$$
WAY-297984
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    0.2655    0.5276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1586    0.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2655   -0.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9793    0.9483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1586   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8690    0.9414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9793   -0.7103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4448   -0.7103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9759    1.7724    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.8690   -0.7103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5828    0.5241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8690    1.7655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8759   -1.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5655   -0.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6793    2.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2552    2.1793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5828   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8690   -1.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3172   -2.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3655   -0.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3931    1.7793    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.2966   -0.7138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1517   -2.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6379   -1.3586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  9 15  1  0  0  0  0
  9 16  1  0  0  0  0
 10 17  1  0  0  0  0
 10 18  1  0  0  0  0
 13 19  1  0  0  0  0
 14 20  1  0  0  0  0
 15 21  1  0  0  0  0
 17 22  2  0  0  0  0
 19 23  1  0  0  0  0
 20 24  1  0  0  0  0
  5  8  1  0  0  0  0
 11 17  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (2,895)
2895

>  <Formula> (2,895)
C15H22ClN5O3

>  <MolWeight> (2,895)
355.81988

>  <COMPOUND_NAME> (2,895)
WAY-297984

>  <BAR_CODE_NO> (2,895)
3899290

$$$$
WAY-297988
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    3.1310   -0.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1310   -1.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3724    0.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9310   -0.0241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3724   -1.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9310   -1.3862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6379   -0.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4103   -0.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6379   -1.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000    0.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1586   -0.2586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6793   -0.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4414    0.1828    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.1483   -0.9966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7793    0.9552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9483   -0.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5897    1.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0897    0.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9276    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9414    0.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7793    1.9552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2897    1.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (2,896)
2896

>  <Formula> (2,896)
C17H17NO4

>  <MolWeight> (2,896)
299.32118

>  <COMPOUND_NAME> (2,896)
WAY-297988

>  <BAR_CODE_NO> (2,896)
3899294

$$$$
WAY-335416
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -0.1000   -1.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6125   -1.0125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1000   -2.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6125   -2.6667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292   -2.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292   -1.4250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8125   -1.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4667   -2.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8125   -2.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0417   -2.6667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.1792   -3.0667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4625   -1.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5208   -1.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8125   -0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5333   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8125   -3.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7542   -3.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2458   -2.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5250   -3.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2375   -1.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5250    0.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2458   -3.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2458   -0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8917   -2.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9583   -3.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9583    0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6417   -2.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9750   -1.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7792   -1.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1917   -2.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  2  2  0  0  0  0
  7  1  1  0  0  0  0
  8 17  1  0  0  0  0
  9  3  1  0  0  0  0
 10  5  1  0  0  0  0
 11  8  1  0  0  0  0
 12  8  2  0  0  0  0
 13  7  1  0  0  0  0
 14  7  2  0  0  0  0
 15  9  2  0  0  0  0
 16  9  1  0  0  0  0
 17 10  1  0  0  0  0
 18 15  1  0  0  0  0
 19 16  2  0  0  0  0
 20 13  2  0  0  0  0
 21 14  1  0  0  0  0
 22 19  1  0  0  0  0
 23 21  2  0  0  0  0
 24 11  1  0  0  0  0
 25 22  1  0  0  0  0
 26 23  1  0  0  0  0
 27 24  1  0  0  0  0
 28 24  1  0  0  0  0
 29 28  1  0  0  0  0
 30 27  1  0  0  0  0
  5  6  1  0  0  0  0
 20 23  1  0  0  0  0
 18 22  2  0  0  0  0
 30 29  1  0  0  0  0
M  END
>  <Mol_ID> (2,897)
2897

>  <Formula> (2,897)
C24H26N4OS

>  <MolWeight> (2,897)
418.55444

>  <COMPOUND_NAME> (2,897)
WAY-335416

>  <BAR_CODE_NO> (2,897)
2558297

$$$$
WAY-336914
csChFnd80/06171916322D

 23 26  0  0  0  0  0  0  0  0999 V2000
   -1.8833    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083    1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1375    2.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1125    1.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    1.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3875    2.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8458    1.5250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1875    1.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1208    2.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3458    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1583    3.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958    3.0208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333    0.7208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6583    4.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4208    3.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667    1.9583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1875    4.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4250    4.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6875    5.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7333    3.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0958    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3333    2.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4583    5.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  1  2  0  0  0  0
  7  4  2  0  0  0  0
  8  2  1  0  0  0  0
  9  6  1  0  0  0  0
 10  9  2  0  0  0  0
 11  6  1  0  0  0  0
 12  3  1  0  0  0  0
 13  8  2  0  0  0  0
 14 11  2  0  0  0  0
 15 11  1  0  0  0  0
 16  8  1  0  0  0  0
 17 15  2  0  0  0  0
 18 14  1  0  0  0  0
 19 17  1  0  0  0  0
 20  9  1  0  0  0  0
 21 10  1  0  0  0  0
 22 20  1  0  0  0  0
 23 19  1  0  0  0  0
  2  5  1  0  0  0  0
 10  7  1  0  0  0  0
 21 22  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (2,898)
2898

>  <Formula> (2,898)
C18H17N3OS

>  <MolWeight> (2,898)
323.41208

>  <COMPOUND_NAME> (2,898)
WAY-336914

>  <BAR_CODE_NO> (2,898)
2552084

$$$$
WL-147101
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    1.9969    0.3782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9969   -1.1514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3318    1.1458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6619    1.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6619   -1.9301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3318   -1.9301    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.6668    0.3782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3318    2.6921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6675    0.3782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6675   -1.1514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3151   -3.4431    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6779   -1.1236    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.0073    1.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6668    3.4597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0024   -1.9190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9961    2.6921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3374   -1.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0024   -3.4597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3318    0.3894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6723   -1.9190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6668    1.1570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0073   -1.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0017    0.3894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
 10 15  1  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 17 19  1  0  0  0  0
 17 20  2  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
  9 10  1  0  0  0  0
 14 16  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (2,899)
2899

>  <Formula> (2,899)
C17H16N2O4

>  <MolWeight> (2,899)
312.31994

>  <COMPOUND_NAME> (2,899)
WL-147101

>  <BAR_CODE_NO> (2,899)
3897592

$$$$
WL-151062
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -2.5068   -1.0058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9691   -1.4933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2766   -1.8569    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0581    0.4333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1297   -0.4874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2709   -3.0097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0542   -0.9594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5184    0.4333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5843   -0.9749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7255   -3.4972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4082   -1.4236    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8938   -2.4991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3366   -0.1934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3561   -2.9943    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.8067   -0.6577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9440    0.3791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1394   -2.1587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6113    1.8801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4063   -0.0774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7487    2.9169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5437    0.9517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2187    2.4527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3561    3.4972    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 16 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
  7  8  2  0  0  0  0
 10 12  2  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (2,900)
2900

>  <Formula> (2,900)
C16H10Cl2N2O2S

>  <MolWeight> (2,900)
365.2338

>  <COMPOUND_NAME> (2,900)
WL-151062

>  <BAR_CODE_NO> (2,900)
3899145

$$$$
CL-221665
csChFnd80/06171916322D

 27 31  0  0  0  0  0  0  0  0999 V2000
   -0.2043   -1.1682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9664   -1.6026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5577   -1.6026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2250   -0.2957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9664   -2.4889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7250   -1.1682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3198   -1.1682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5681   -2.4889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5474    0.1422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2043   -2.9233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7250   -2.9233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4871   -1.6026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3198   -0.2957    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0888   -1.6233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3508   -2.9233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5267    1.0249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4871   -2.4889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2354    1.4422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2888    1.4732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2561    2.3353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2681    2.3560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0508    1.0456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4957    2.7801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0354    2.7594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4853    3.6629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0561    3.6422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2940    4.1008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  2  0  0  0  0
  9 16  1  0  0  0  0
 11 17  2  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  2  0  0  0  0
 20 23  2  0  0  0  0
 20 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  2  0  0  0  0
  8 10  1  0  0  0  0
  9 13  2  0  0  0  0
 12 17  1  0  0  0  0
 21 23  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (2,901)
2901

>  <Formula> (2,901)
C22H13NO4

>  <MolWeight> (2,901)
355.34292

>  <COMPOUND_NAME> (2,901)
CL-221665

>  <BAR_CODE_NO> (2,901)
3899748

$$$$
CL-264956
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -1.7424   -1.1686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2765   -0.6938    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.7424   -2.7127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0831   -0.3965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6156   -1.9407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9547    0.1982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7512    0.7512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2765   -3.1927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0831   -3.4848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4082   -1.1686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1598   -1.9407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7825    1.7268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1826   -4.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4082   -2.7127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0346    2.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5999    2.3580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0346    4.1787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5005    2.1598    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5005    4.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4082    3.4066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  2  0  0  0  0
 12 15  1  0  0  0  0
 12 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
  5  8  1  0  0  0  0
 10 14  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (2,902)
2902

>  <Formula> (2,902)
C15H13NO4

>  <MolWeight> (2,902)
271.26802

>  <COMPOUND_NAME> (2,902)
CL-264956

>  <BAR_CODE_NO> (2,902)
3899737

$$$$
CL-342376
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.0100   -0.2109    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5100    0.1684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5900   -0.0696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1204   -0.8489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5100    0.8132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1204   -0.1109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8693    0.4684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9279   -0.5868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7307   -1.0109    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2900   -1.3385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0100    1.2132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0480    1.1304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5928    0.1684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5900    1.0684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4900    0.5132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5520   -0.5489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8928   -1.6213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5928    0.8132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8279   -0.0109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  2  0  0  0  0
  8 16  1  0  0  0  0
  9 17  1  0  0  0  0
 12 18  1  0  0  0  0
 15 19  1  0  0  0  0
 11 14  2  0  0  0  0
 13 18  2  0  0  0  0
 16 19  2  0  0  0  0
M  END
>  <Mol_ID> (2,903)
2903

>  <Formula> (2,903)
C16H14N2O

>  <MolWeight> (2,903)
250.29516

>  <COMPOUND_NAME> (2,903)
CL-342376

>  <BAR_CODE_NO> (2,903)
3900363

$$$$
CL-403016
csChFnd80/06171916322D

 14 16  0  0  0  0  0  0  0  0999 V2000
    0.0524    0.0786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3770   -0.7184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0524    1.6652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3770   -0.4004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6755    0.0524    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5903   -2.1741    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3770    2.0917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3770    2.4884    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3312    0.8681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0132   -1.8036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6755    1.6390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8916   -0.9317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2293   -2.3873    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8916    0.7372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  9 14  1  0  0  0  0
  7  9  1  0  0  0  0
  8 11  2  0  0  0  0
 12 13  2  0  0  0  0
M  END
>  <Mol_ID> (2,904)
2904

>  <Formula> (2,904)
C9H8N4S

>  <MolWeight> (2,904)
204.25162

>  <COMPOUND_NAME> (2,904)
CL-403016

>  <BAR_CODE_NO> (2,904)
3899647

$$$$
CL-416789
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -1.9251   -1.0459    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.2301   -1.8002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9760    1.3143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6294   -1.7863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2301   -3.3088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5259   -1.0505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6664    2.0871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2811    2.0686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6201   -3.2996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6756   -1.0274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9251   -4.0631    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5213   -4.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8309   -1.7863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5213    0.4674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6942    1.7169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6803    3.5957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2811    3.5819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6895   -4.0493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9714   -1.7724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6618    0.4813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8309   -3.2996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8002    2.6424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9899    4.3408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2811   -1.0181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1422    2.1426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3829    0.7358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2390    3.0682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7249    0.2406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5810    2.5776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8309    1.1662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  2  0  0  0  0
  7 15  1  0  0  0  0
  7 16  2  0  0  0  0
  8 17  1  0  0  0  0
  9 18  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  2  0  0  0  0
 12 21  1  0  0  0  0
 15 22  1  0  0  0  0
 16 23  1  0  0  0  0
 19 24  1  0  0  0  0
 22 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  2  0  0  0  0
 28 30  2  0  0  0  0
  9 11  1  0  0  0  0
 13 21  1  0  0  0  0
 17 23  2  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (2,905)
2905

>  <Formula> (2,905)
C25H25NO4

>  <MolWeight> (2,905)
403.4703

>  <COMPOUND_NAME> (2,905)
CL-416789

>  <BAR_CODE_NO> (2,905)
3900663

$$$$
CL-417892
csChFnd80/06171916322D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -0.9571   -0.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9674   -0.7173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9571    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0295   -0.9207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3571   -1.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5847    0.1827    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0295    1.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9674    1.0344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9119   -0.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4088   -1.8966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6778   -2.5518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9119    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0295    2.3310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8533   -0.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7812   -2.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0709   -3.5587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8395    1.2275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0985   -3.7242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7774    0.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8533    2.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6774    1.2275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7670    2.8069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7050    2.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6188    2.8206    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  2  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  2  0  0  0  0
 12 17  1  0  0  0  0
 15 18  2  0  0  0  0
 17 19  2  0  0  0  0
 17 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
 23 24  1  0  0  0  0
  6  8  2  0  0  0  0
  9 12  1  0  0  0  0
 16 18  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (2,906)
2906

>  <Formula> (2,906)
C18H13ClN4O

>  <MolWeight> (2,906)
336.77502

>  <COMPOUND_NAME> (2,906)
CL-417892

>  <BAR_CODE_NO> (2,906)
3900433

$$$$
CL-418150
csChFnd80/06171916322D

 22 25  0  0  0  0  0  0  0  0999 V2000
   -0.3936   -0.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5892   -0.2034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3729   -0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1660   -1.8724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4271   -0.9690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5892    0.9483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3729    0.9483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3488   -0.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9581   -2.0138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5305   -0.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3936    1.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6719    0.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1685    1.9379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3488    1.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3246   -0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9133    0.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4374   -1.3862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3246    0.9483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3246   -0.7931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0478    0.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3616   -0.7448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3246    1.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  2  0  0  0  0
 10 16  2  0  0  0  0
 10 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
  5  9  2  0  0  0  0
  7 11  1  0  0  0  0
 15 18  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (2,907)
2907

>  <Formula> (2,907)
C18H19N3O

>  <MolWeight> (2,907)
293.36296

>  <COMPOUND_NAME> (2,907)
CL-418150

>  <BAR_CODE_NO> (2,907)
3900450

$$$$
GI-569525
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -0.3625    1.4711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4763    1.0987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3168    0.5159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0341    2.5884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4763   -0.0634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4763    1.6815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3625   -0.4358    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5030    0.4953    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1755    2.8435    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7590    3.4711    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4763   -0.6703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5038    1.0987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0824   -0.5289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9410    1.9608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5038   -0.0634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4763   -1.8323    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5030   -1.5289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2686   -0.5289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0824    2.2159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0824   -2.5530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3168   -1.5289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5030   -3.5772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2694   -2.5530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3341   -3.5772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  2  0  0  0  0
 13 17  1  0  0  0  0
 13 18  2  0  0  0  0
 14 19  1  0  0  0  0
 17 20  1  0  0  0  0
 17 21  2  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
  5  7  1  0  0  0  0
 12 15  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (2,908)
2908

>  <Formula> (2,908)
C18H17NO4S

>  <MolWeight> (2,908)
343.39688

>  <COMPOUND_NAME> (2,908)
GI-569525

>  <BAR_CODE_NO> (2,908)
3899777

$$$$
WAY-297998
csChFnd80/06171916322D

 17 18  0  0  0  0  0  0  0  0999 V2000
    2.0793    0.3103    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.4793   -0.6897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6103    1.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2414    0.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3138   -0.6759    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4897    2.1517    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4793    1.6414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4897    1.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8103   -0.6759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3138    0.4517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3138   -1.8103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3724   -1.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3724    0.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4897   -1.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4897    0.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0586   -0.6759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2207   -0.6759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  2  0  0  0  0
  9 12  1  0  0  0  0
  9 13  2  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
  6  8  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <Mol_ID> (2,909)
2909

>  <Formula> (2,909)
C11H13NO3S2

>  <MolWeight> (2,909)
271.35582

>  <COMPOUND_NAME> (2,909)
WAY-297998

>  <BAR_CODE_NO> (2,909)
3899304

$$$$
WAY-298091
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -1.6365   -0.2495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6330    0.3160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6468   -1.4047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6330    0.3332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3601   -0.2668    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6227    1.4711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6503   -1.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6537   -1.9737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6434   -0.2323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3463   -1.4185    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3808    2.0332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6606   -3.1495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6468   -1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3463   -2.0047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3739    1.4367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4014    3.1884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3463   -1.4254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3842    2.0022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4118    3.7505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3187   -1.9599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3566   -0.2254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4014    3.1539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 17 21  2  0  0  0  0
 18 22  1  0  0  0  0
  7 10  1  0  0  0  0
  9 13  1  0  0  0  0
 19 22  2  0  0  0  0
M  END
>  <Mol_ID> (2,910)
2910

>  <Formula> (2,910)
C17H14N2O3

>  <MolWeight> (2,910)
294.30466

>  <COMPOUND_NAME> (2,910)
WAY-298091

>  <BAR_CODE_NO> (2,910)
3899427

$$$$
WAY-298107
csChFnd80/06171916322D

 15 16  0  0  0  0  0  0  0  0999 V2000
    0.1931    0.1931    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.5552    0.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6345   -0.4069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6345    0.8069    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9310    0.8379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9310   -0.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3483   -0.1793    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.3483    0.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6862    0.8379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6793   -0.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9586   -0.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0552    0.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8793   -1.3655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6448   -0.3138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8069    0.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  9 12  2  0  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 15  1  0  0  0  0
  7  8  1  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <Mol_ID> (2,911)
2911

>  <Formula> (2,911)
C11H13NO2S

>  <MolWeight> (2,911)
223.29142

>  <COMPOUND_NAME> (2,911)
WAY-298107

>  <BAR_CODE_NO> (2,911)
3899448

$$$$
WAY-226706
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -1.4696    1.1526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5386    0.8077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8248    0.2112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0420    2.2629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5386   -0.3474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6523    1.1526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4696   -0.6888    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3304    0.1664    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0718    2.4802    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8110    3.1629    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6523   -0.6888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2937    0.2112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9270   -0.8164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0856   -0.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3304   -1.7819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6408   -1.7819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6408    0.2112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7959   -1.7371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3201   -2.6785    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7545    0.2526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3959   -0.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  8 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  2  0  0  0  0
 18 21  2  0  0  0  0
  5  7  1  0  0  0  0
 11 12  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (2,912)
2912

>  <Formula> (2,912)
C15H13ClN2O2S

>  <MolWeight> (2,912)
320.79392

>  <COMPOUND_NAME> (2,912)
WAY-226706

>  <BAR_CODE_NO> (2,912)
3901201

$$$$
WAY-231211
csChFnd80/06171916322D

 19 20  0  0  0  0  0  0  0  0999 V2000
    0.1239    0.3550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3864    0.3550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3757   -0.0864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3757    0.7860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6347   -0.0864    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6347    0.7860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8826   -0.0864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8826    0.7860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1450   -0.0864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1343    0.3550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3968   -0.5243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6446    0.3550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8968   -0.5761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1864   -0.9864    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6446    0.8550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6446   -0.1554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1446    0.3550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0071   -1.0761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5657   -1.3243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  7 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 17  1  0  0  0  0
 13 18  1  0  0  0  0
 14 19  1  0  0  0  0
  8 10  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (2,913)
2913

>  <Formula> (2,913)
C16H19NO2

>  <MolWeight> (2,913)
257.32756

>  <COMPOUND_NAME> (2,913)
WAY-231211

>  <BAR_CODE_NO> (2,913)
3899418

$$$$
WAY-231710-A
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    3.7603    4.6432    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6006    3.3970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7889    2.2718    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4143    4.1234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4143    2.7561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1519    5.9465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0107    3.3970    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1620    6.9435    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.5039    8.2682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2730    1.0468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7947    6.6302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1610    4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2250    1.9656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5068    9.2510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8142    8.6526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3616    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9941    0.2565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1989    9.9773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8915   10.5754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2088   10.9672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  1  1  0  0  0  0
  7  2  2  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  3  1  0  0  0  0
 11  8  1  0  0  0  0
 12  4  1  0  0  0  0
 13  5  1  0  0  0  0
 14  9  1  0  0  0  0
 15  9  2  0  0  0  0
 16 10  1  0  0  0  0
 17 12  2  0  0  0  0
 18 17  1  0  0  0  0
 19 16  1  0  0  0  0
 20 15  1  0  0  0  0
 21 14  2  0  0  0  0
 22 20  2  0  0  0  0
  3  5  1  0  0  0  0
 18 13  2  0  0  0  0
 22 21  1  0  0  0  0
M  END
>  <Mol_ID> (2,914)
2914

>  <Formula> (2,914)
C18H21N3O

>  <MolWeight> (2,914)
295.37884

>  <COMPOUND_NAME> (2,914)
WAY-231710-A

>  <BAR_CODE_NO> (2,914)
3900723

$$$$
WAY-232387
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
    2.3608    4.9120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0755    6.3302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1502    4.2288    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1125    5.1886    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6927    4.3931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9833    7.3678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7005    6.4946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9002    2.9836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1886    2.4127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3583    7.0825    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6383    1.0724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2020    2.8278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5684    8.6478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7760    2.1533    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3040    3.2430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0134    1.1156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4283    2.4127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2664    8.1201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0911   10.1956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8080    9.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6414    7.8175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5492    8.8983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7161   10.4809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3954    2.1101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8953   11.3110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3954    0.7005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2020    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  8  1  0  0  0  0
 10  6  1  0  0  0  0
 11  9  1  0  0  0  0
 12  3  1  0  0  0  0
 13  6  2  0  0  0  0
 14  8  2  0  0  0  0
 15  9  2  0  0  0  0
 16 11  1  0  0  0  0
 17 15  1  0  0  0  0
 18 10  1  0  0  0  0
 19 22  1  0  0  0  0
 20 18  2  0  0  0  0
 21 18  1  0  0  0  0
 22 21  2  0  0  0  0
 23 20  1  0  0  0  0
 24 12  1  0  0  0  0
 25 12  2  0  0  0  0
 26 19  1  0  0  0  0
 27 24  2  0  0  0  0
 28 25  1  0  0  0  0
 29 28  2  0  0  0  0
  7  4  2  0  0  0  0
 16 17  2  0  0  0  0
 29 27  1  0  0  0  0
 19 23  2  0  0  0  0
M  END
>  <Mol_ID> (2,915)
2915

>  <Formula> (2,915)
C22H18N4O3

>  <MolWeight> (2,915)
386.40332

>  <COMPOUND_NAME> (2,915)
WAY-232387

>  <BAR_CODE_NO> (2,915)
3899757

$$$$
WAY-234719
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -1.3469    0.4741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5056    0.1569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6883   -0.5121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8918    1.6293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5056   -1.0776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5331    0.7224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3469   -1.4121    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5048   -0.5121    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2634    1.8362    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6814    2.5293    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5331   -1.6604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5607    0.1569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1220   -1.5397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6738    2.9844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9910    0.9293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5607   -1.0776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2944   -1.5397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5048   -2.5673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8669    3.1465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1496    1.1327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9393   -0.5880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0393   -2.4811    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.6048    2.2120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0703   -0.8707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1289   -2.0707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  0  0  0  0
 11 16  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  2  0  0  0  0
 14 19  1  0  0  0  0
 15 20  1  0  0  0  0
 17 21  2  0  0  0  0
 17 22  1  0  0  0  0
 19 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
  5  7  1  0  0  0  0
 12 16  1  0  0  0  0
 20 23  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (2,916)
2916

>  <Formula> (2,916)
C18H20N2O3S2

>  <MolWeight> (2,916)
376.493

>  <COMPOUND_NAME> (2,916)
WAY-234719

>  <BAR_CODE_NO> (2,916)
3899493

$$$$
WAY-298146
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -2.3552    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6552   -0.3241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2276    0.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0759    1.0241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9655    0.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6379   -1.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8448    0.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4448   -0.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2069    1.0138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1172   -0.1069    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3759   -1.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6655    0.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2966   -0.9138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5448    0.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8966   -0.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3724    0.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0138    0.8241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5552   -0.6069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8345    0.5759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0241   -0.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4552    1.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8552   -0.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2828    0.9138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4724    0.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0448   -1.4138    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.3241   -0.1552    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
 10 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 24 26  1  0  0  0  0
  5  9  2  0  0  0  0
 13 15  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (2,917)
2917

>  <Formula> (2,917)
C18H22Cl2N4OS

>  <MolWeight> (2,917)
413.36448

>  <COMPOUND_NAME> (2,917)
WAY-298146

>  <BAR_CODE_NO> (2,917)
3899494

$$$$
WAY-298217
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.7448    0.8379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9310    1.4759    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.7448   -0.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3448    1.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0207    0.8379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9310    2.7483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3448   -1.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3448    2.7483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1103    1.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0207   -0.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7448    3.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4345   -0.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3448   -2.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2000    0.8379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1103   -1.0655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5241   -1.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4345   -3.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2000   -0.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5241   -2.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7103   -0.4276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8000   -1.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8897   -0.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0759   -1.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  2  0  0  0  0
  9 14  1  0  0  0  0
 10 15  2  0  0  0  0
 12 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 18  2  0  0  0  0
 16 19  1  0  0  0  0
 16 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
  8 11  1  0  0  0  0
 15 18  1  0  0  0  0
 17 19  2  0  0  0  0
M  END
>  <Mol_ID> (2,918)
2918

>  <Formula> (2,918)
C20H26N2O

>  <MolWeight> (2,918)
310.43324

>  <COMPOUND_NAME> (2,918)
WAY-298217

>  <BAR_CODE_NO> (2,918)
3899594

$$$$
WAY-298226
csChFnd80/06171916322D

 22 23  0  0  0  0  0  0  0  0999 V2000
   -0.2552   -0.9310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4862   -0.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4517   -1.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8690   -1.3690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2345   -0.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0483    0.3862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0138   -0.6621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4690   -0.9310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6828    0.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8655    0.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7172   -0.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1862   -1.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4310    0.3069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3828    1.0690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4138    0.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2793   -0.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8690    0.9207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1310    0.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6069    0.8379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6793    0.8379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5172    1.6207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4517    0.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  2  0  0  0  0
 10 15  1  0  0  0  0
 11 16  2  0  0  0  0
 13 17  1  0  0  0  0
 15 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
  5  8  2  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (2,919)
2919

>  <Formula> (2,919)
C16H15NO5

>  <MolWeight> (2,919)
301.294

>  <COMPOUND_NAME> (2,919)
WAY-298226

>  <BAR_CODE_NO> (2,919)
3899611

$$$$
WAY-298283
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.7586    0.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7586   -0.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6172    0.6069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4586    1.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0828   -0.5862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4586   -0.5828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6034   -0.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2000    1.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1345    0.6069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4586    1.8172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1345   -0.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4586   -1.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3034   -0.6241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0241    1.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8793    1.9552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8586    1.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8345   -0.5862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2931   -1.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0241   -0.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9931   -1.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7310   -0.6483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7172   -1.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
  9 16  1  0  0  0  0
 11 17  2  0  0  0  0
 13 18  1  0  0  0  0
 13 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
  5  7  2  0  0  0  0
  9 11  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (2,920)
2920

>  <Formula> (2,920)
C15H23N5O2

>  <MolWeight> (2,920)
305.37542

>  <COMPOUND_NAME> (2,920)
WAY-298283

>  <BAR_CODE_NO> (2,920)
3899690

$$$$
WAY-298303
csChFnd80/06171916322D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -0.6862   -0.7513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0793   -0.7513    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9862   -0.2203    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9862   -1.2686    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2207   -0.2203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5862   -0.2203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5862   -1.2686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8207   -0.2203    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0793    0.3004    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8862   -0.7513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8862    0.3004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8862   -1.7893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1310    0.3004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7310    0.3004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8207    0.8211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0310    0.8211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1310    1.3487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7310    1.3487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0310    1.9211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 18 19  1  0  0  0  0
  7 10  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (2,921)
2921

>  <Formula> (2,921)
C14H17N5

>  <MolWeight> (2,921)
255.31828

>  <COMPOUND_NAME> (2,921)
WAY-298303

>  <BAR_CODE_NO> (2,921)
3899715

$$$$
WAY-298333
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
    5.2075   -4.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.4120   -2.9395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0235   -2.9710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4120   -7.1285    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8190   -4.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6380   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2075   -6.0895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6065   -6.0580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0235   -0.8820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5935   -5.0395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2045   -7.1285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.1890    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.5935   -7.1285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4200   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3885   -8.1575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2360   -5.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1575   -2.9395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1575   -7.1285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9420   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9420   -6.0895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  7  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  4  1  0  0  0  0
  9  3  2  0  0  0  0
 10  5  1  0  0  0  0
 11 16  2  0  0  0  0
 12 11  1  0  0  0  0
 13 10  1  0  0  0  0
 14 10  2  0  0  0  0
 15 13  2  0  0  0  0
 16 14  1  0  0  0  0
 17  6  2  0  0  0  0
 18  8  2  0  0  0  0
 19 17  1  0  0  0  0
 20 18  1  0  0  0  0
  6  8  1  0  0  0  0
 19 20  2  0  0  0  0
 15 11  1  0  0  0  0
M  END
>  <Mol_ID> (2,922)
2922

>  <Formula> (2,922)
C15H12FNO3

>  <MolWeight> (2,922)
273.2590832

>  <COMPOUND_NAME> (2,922)
WAY-298333

>  <BAR_CODE_NO> (2,922)
3899761

$$$$
WAY-298338
csChFnd80/06171916322D

 29 31  0  0  0  0  0  0  0  0999 V2000
    0.5069   -0.1310    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0966   -0.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9138   -0.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5069    0.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0966   -0.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3552   -0.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9138   -0.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3241   -0.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0552    0.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9552    0.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5069   -1.0828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3759   -1.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8241   -0.3310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3552    0.4690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4138   -1.1034    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7345    0.1379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0552    1.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9759    1.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2759   -0.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0552   -0.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5138    1.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3345    0.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6759   -0.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3759   -1.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862    0.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1345    1.0069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1345   -0.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1931    0.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5655    1.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  2  0  0  0  0
  7 15  1  0  0  0  0
  8 16  3  0  0  0  0
  9 17  1  0  0  0  0
 10 18  2  0  0  0  0
 13 19  1  0  0  0  0
 15 20  1  0  0  0  0
 17 21  2  0  0  0  0
 19 22  1  0  0  0  0
 19 23  2  0  0  0  0
 20 24  1  0  0  0  0
 22 25  2  0  0  0  0
 22 26  1  0  0  0  0
 23 27  1  0  0  0  0
 25 28  1  0  0  0  0
 26 29  1  0  0  0  0
  7 11  1  0  0  0  0
 18 21  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <Mol_ID> (2,923)
2923

>  <Formula> (2,923)
C23H23N3O2S

>  <MolWeight> (2,923)
405.51262

>  <COMPOUND_NAME> (2,923)
WAY-298338

>  <BAR_CODE_NO> (2,923)
3899766

$$$$
WAY-298339
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -0.5248    1.2255    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4731    0.3048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2855    1.6876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4041    1.6842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3007   -0.2434    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4786    0.0186    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1062    1.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3027    2.6255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2214    1.1738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4421    2.6462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2041    0.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7407   -0.8745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9372    1.6393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1372    3.0807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0835    1.6566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0421   -0.2952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7476   -0.7848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9545    2.5842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9179    1.1566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9041    0.1807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3303   -1.5331    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1303    0.1014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9614   -2.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0131   -2.4538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5165   -3.1572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6062   -3.3193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1165   -4.0227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1545   -4.1055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 13 18  1  0  0  0  0
 15 19  2  0  0  0  0
 16 20  2  0  0  0  0
 17 21  1  0  0  0  0
 17 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  2  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
  9 11  2  0  0  0  0
 14 18  2  0  0  0  0
 19 20  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <Mol_ID> (2,924)
2924

>  <Formula> (2,924)
C22H17N3O2S

>  <MolWeight> (2,924)
387.45428

>  <COMPOUND_NAME> (2,924)
WAY-298339

>  <BAR_CODE_NO> (2,924)
3899769

$$$$
WAY-298350
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
    7.5005   -5.8010    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0735   -4.9595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9200   -4.9840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3310   -5.8010    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0735   -8.2515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6620   -5.8010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7420   -6.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5005   -7.4350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6620   -7.4265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9200   -3.3665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5890   -6.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1450   -9.0685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1695   -5.8010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7420   -8.2515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5640   -8.2515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2675   -4.9840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2675   -8.2515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -5.8175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1450  -10.7025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8400   -5.8010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8400   -7.4350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  8  1  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8  1  1  0  0  0  0
  9  5  1  0  0  0  0
 10  3  2  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13  7  1  0  0  0  0
 14  7  2  0  0  0  0
 15 12  2  0  0  0  0
 16  6  2  0  0  0  0
 17  9  2  0  0  0  0
 18 11  1  0  0  0  0
 19 12  1  0  0  0  0
 20 16  1  0  0  0  0
 21 17  1  0  0  0  0
  6  9  1  0  0  0  0
 20 21  2  0  0  0  0
 15 11  1  0  0  0  0
M  END
>  <Mol_ID> (2,925)
2925

>  <Formula> (2,925)
C17H17NO3

>  <MolWeight> (2,925)
283.32178

>  <COMPOUND_NAME> (2,925)
WAY-298350

>  <BAR_CODE_NO> (2,925)
3899787

$$$$
WAY-298354
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.9930   -0.1765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9930    0.5684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6344   -0.5523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3585   -0.5523    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3585    0.9477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6344    0.9477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2792   -0.1765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6344   -1.3040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2863   -0.1765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2863    0.5684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2792    0.5684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2792   -1.6627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9415   -0.5765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9415    0.9684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2792   -2.4247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5864    0.5891    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9415    1.7235    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2208    0.9684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5864   -0.1523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8553    0.5891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2208   -0.5316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8553   -0.1523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  2  0  0  0  0
 10 14  1  0  0  0  0
 12 15  2  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
  7 11  1  0  0  0  0
  9 10  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (2,926)
2926

>  <Formula> (2,926)
C18H19NO3

>  <MolWeight> (2,926)
297.34836

>  <COMPOUND_NAME> (2,926)
WAY-298354

>  <BAR_CODE_NO> (2,926)
3899791

$$$$
WAY-298356
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.3090    0.0801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8130    0.9441    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2190    0.9261    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2190    0.3681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8130    0.3561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3150    1.2141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7590   -0.4869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2570   -0.4719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8720   -0.1539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4240   -0.4719    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7590    0.0801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2840    0.0921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3150    1.7961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9610   -0.1539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8720    0.4821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8380   -1.1019    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9610    0.4821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2660   -0.2169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8180   -0.5109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3430   -1.3659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8380   -0.5499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3190   -0.2349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8180   -1.1019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  1  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11  4  2  0  0  0  0
 12  5  2  0  0  0  0
 13  6  2  0  0  0  0
 14 10  1  0  0  0  0
  9 15  2  0  0  0  0
 20 16  2  0  0  0  0
 17 15  1  0  0  0  0
 18  7  1  0  0  0  0
 19 18  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  2  0  0  0  0
 22 19  1  0  0  0  0
 19 23  2  0  0  0  0
  3  6  1  0  0  0  0
 17 14  2  0  0  0  0
 16 21  1  0  0  0  0
M  END
>  <Mol_ID> (2,927)
2927

>  <Formula> (2,927)
C16H15N3O3S

>  <MolWeight> (2,927)
329.3736

>  <COMPOUND_NAME> (2,927)
WAY-298356

>  <BAR_CODE_NO> (2,927)
3899794

$$$$
WAY-298373
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.4429    0.2272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4749    0.8392    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.5831    0.2272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5831    0.8212    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0701   -0.0728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4429    0.8212    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9529   -0.0728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0961   -0.0728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4749    0.2272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9849    1.1902    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.6121    0.2272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9589    1.1752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0961   -0.6758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1311   -0.0728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6121   -0.9728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1311   -0.6758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6121   -1.5908    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.6121    0.8392    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9529   -0.6668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9939   -0.0728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4659   -0.9728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9939   -0.6758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  9  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  1  0  0  0  0
  7  1  1  0  0  0  0
  8  3  1  0  0  0  0
  9  7  2  0  0  0  0
 10  2  1  0  0  0  0
 11  8  1  0  0  0  0
 12  2  2  0  0  0  0
 13  8  2  0  0  0  0
 11 14  2  0  0  0  0
 15 13  1  0  0  0  0
 16 15  2  0  0  0  0
 17 15  1  0  0  0  0
 18 11  1  0  0  0  0
 19  7  1  0  0  0  0
 20  9  1  0  0  0  0
 19 21  2  0  0  0  0
 22 21  1  0  0  0  0
  4  3  2  0  0  0  0
 22 20  2  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <Mol_ID> (2,928)
2928

>  <Formula> (2,928)
C15H10ClN3O3

>  <MolWeight> (2,928)
315.7112

>  <COMPOUND_NAME> (2,928)
WAY-298373

>  <BAR_CODE_NO> (2,928)
3899821

$$$$
WAY-298378
csChFnd80/06171916322D

 18 19  0  0  0  0  0  0  0  0999 V2000
    0.4030   -0.8381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3832   -1.0899    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6513   -0.0485    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0686   -1.3174    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9970   -0.5381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4755   -0.0485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7341   -0.8312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7763   -0.8036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8245    0.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9617    0.6170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3901   -0.2450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4349    0.8136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7824    0.5377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2176    0.5619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1237   -0.2174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2686    1.2032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8314    1.1136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6142    0.8619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  8 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
  6  7  2  0  0  0  0
 12 14  2  0  0  0  0
M  END
>  <Mol_ID> (2,929)
2929

>  <Formula> (2,929)
C12H12N2O3S

>  <MolWeight> (2,929)
264.30028

>  <COMPOUND_NAME> (2,929)
WAY-298378

>  <BAR_CODE_NO> (2,929)
3899827

$$$$
WAY-298384
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.6103    0.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2966    0.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0552    0.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7759   -0.2793    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.8759    0.3586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3759    1.6897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7414    0.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5621   -0.3586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6448    0.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7414   -0.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4379    0.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9862   -1.0345    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.1759   -0.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4241   -0.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1138    0.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1138   -0.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000   -1.4448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6931   -0.8207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3759   -1.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  2  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
  5  8  1  0  0  0  0
 15 16  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (2,930)
2930

>  <Formula> (2,930)
C13H11NO3S2

>  <MolWeight> (2,930)
293.36134

>  <COMPOUND_NAME> (2,930)
WAY-298384

>  <BAR_CODE_NO> (2,930)
3899834

$$$$
WAY-298418
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
   -0.6759    0.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0862    0.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2931    0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8897    1.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6448    0.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2586   -0.3966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8379    0.6241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1621   -0.4621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5621    1.3379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4138    1.9414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3448    0.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5241    1.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9621   -0.6138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5897    0.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9103    1.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0759    2.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1379   -1.3586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1241    0.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8034   -0.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7759    1.8241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8448   -1.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5966   -1.8586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9138    0.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5759   -0.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4069   -1.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0069   -2.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1000    0.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1103   -1.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2586   -0.3966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7103   -2.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2862   -2.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 18  2  0  0  0  0
 14 19  1  0  0  0  0
 15 20  2  0  0  0  0
 17 21  1  0  0  0  0
 17 22  2  0  0  0  0
 18 23  1  0  0  0  0
 19 24  2  0  0  0  0
 21 25  1  0  0  0  0
 21 26  2  0  0  0  0
 23 27  2  0  0  0  0
 25 28  2  0  0  0  0
 25 29  1  0  0  0  0
 26 30  1  0  0  0  0
 28 31  1  0  0  0  0
  7  9  1  0  0  0  0
 16 20  1  0  0  0  0
 24 27  1  0  0  0  0
 30 31  2  0  0  0  0
M  END
>  <Mol_ID> (2,931)
2931

>  <Formula> (2,931)
C24H20N4O3

>  <MolWeight> (2,931)
412.4406

>  <COMPOUND_NAME> (2,931)
WAY-298418

>  <BAR_CODE_NO> (2,931)
3899891

$$$$
WAY-298442
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    0.4793    0.3724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2414    0.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0207    0.9517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6793   -0.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1414    1.4931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9414    0.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6207    1.6310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8207    0.8931    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1207   -0.9690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4414   -0.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6414    0.7138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1793    0.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3207   -1.7276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6586   -1.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3207    0.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9586    0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0793   -1.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3207   -0.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0207    0.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4103    0.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2897   -0.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0207   -0.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7207    0.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7207   -0.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  6 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  2  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  2  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 16 21  1  0  0  0  0
 18 22  1  0  0  0  0
 19 23  2  0  0  0  0
 22 24  2  0  0  0  0
  5  7  1  0  0  0  0
 14 17  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (2,932)
2932

>  <Formula> (2,932)
C19H21N3OS

>  <MolWeight> (2,932)
339.45454

>  <COMPOUND_NAME> (2,932)
WAY-298442

>  <BAR_CODE_NO> (2,932)
3899919

$$$$
WAY-298472
csChFnd80/06171916322D

 29 31  0  0  0  0  0  0  0  0999 V2000
    0.1966   -0.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7172   -0.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5172    0.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3034    0.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1034   -0.6310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7172   -1.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2379   -0.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1172    0.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2172    0.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8241   -0.1103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3034    0.7897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2379   -1.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7586   -0.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4172    0.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5172    1.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3414    0.1897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7586   -1.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1172    1.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8621   -0.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2966   -1.3310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4379    1.9690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3828    0.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8621   -0.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2966   -1.9310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0379    1.9690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9034   -0.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3828   -1.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9034   -0.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4241    0.2069    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  2  0  0  0  0
  3  8  1  0  0  0  0
  3  9  2  0  0  0  0
  4 10  1  0  0  0  0
  4 11  2  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 14  2  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 12 17  1  0  0  0  0
 14 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 19 23  2  0  0  0  0
 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
 22 26  2  0  0  0  0
 23 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
 13 17  2  0  0  0  0
 15 18  2  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <Mol_ID> (2,933)
2933

>  <Formula> (2,933)
C22H21ClN2O4

>  <MolWeight> (2,933)
412.86614

>  <COMPOUND_NAME> (2,933)
WAY-298472

>  <BAR_CODE_NO> (2,933)
3899969

$$$$
WAY-298477
csChFnd80/06171916322D

 32 35  0  0  0  0  0  0  0  0999 V2000
   13.1414    7.6639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6884    6.2800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5263    7.0946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3908    5.8935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9394    7.5642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4058    5.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.6775    8.8733    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2038    5.0748    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.2718    8.3039    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0775    5.7439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9669    8.4494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7403    7.6639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7201    7.3397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3512    8.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9549    7.9133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9024    6.8535    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0801    6.8078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5788    8.1626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3647    7.3813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7928    8.7278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1513    6.2094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3383    6.8078    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1574    7.9133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4213    8.4494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7933    8.4494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3237    7.0946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5834    7.6265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0322    8.9772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6109    8.6904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2463    5.9226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2146    8.7985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    8.1252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  1  2  0  0  0  0
  6 10  2  0  0  0  0
  7 11  2  0  0  0  0
  8  4  1  0  0  0  0
  9  5  1  0  0  0  0
 10  2  1  0  0  0  0
 11  1  1  0  0  0  0
 12 14  1  0  0  0  0
 13  3  1  0  0  0  0
 14 23  1  0  0  0  0
 15 12  1  0  0  0  0
 16 12  2  0  0  0  0
 17 13  2  0  0  0  0
 18 13  1  0  0  0  0
 19 15  2  0  0  0  0
 20 15  1  0  0  0  0
 21  4  1  0  0  0  0
 22  5  1  0  0  0  0
 23 25  1  0  0  0  0
 24 28  1  0  0  0  0
 25 18  2  0  0  0  0
 26 17  1  0  0  0  0
 27 19  1  0  0  0  0
 28 20  2  0  0  0  0
 29 24  1  0  0  0  0
 30 10  1  0  0  0  0
 31 11  1  0  0  0  0
 32 29  1  0  0  0  0
  7  9  1  0  0  0  0
 26 23  2  0  0  0  0
  8  6  1  0  0  0  0
 27 24  2  0  0  0  0
M  END
>  <Mol_ID> (2,934)
2934

>  <Formula> (2,934)
C23H22N4O5

>  <MolWeight> (2,934)
434.44458

>  <COMPOUND_NAME> (2,934)
WAY-298477

>  <BAR_CODE_NO> (2,934)
3899974

$$$$
WAY-298484
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -0.6241    0.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1862    1.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7621   -0.1690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0828    0.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9000    0.8069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1862   -0.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2207    1.5586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6517    0.3310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5103    1.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1103    0.0931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3241   -1.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5138   -0.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9241    1.8069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1103    0.7828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8621    0.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2517   -1.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0241   -1.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4897    1.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1207   -2.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1621   -2.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2000    1.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3586    0.5828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5793   -2.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7724    1.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9241    0.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6345    0.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000   -0.1414    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  2  0  0  0  0
 11 17  1  0  0  0  0
 13 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  2  0  0  0  0
 18 21  2  0  0  0  0
 18 22  1  0  0  0  0
 19 23  2  0  0  0  0
 21 24  1  0  0  0  0
 22 25  2  0  0  0  0
 24 26  2  0  0  0  0
 26 27  1  0  0  0  0
 14 15  2  0  0  0  0
 20 23  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (2,935)
2935

>  <Formula> (2,935)
C21H17FN2O3

>  <MolWeight> (2,935)
364.3696832

>  <COMPOUND_NAME> (2,935)
WAY-298484

>  <BAR_CODE_NO> (2,935)
3899981

$$$$
WAY-298516
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
    1.0297    0.3424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9262    1.2942    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2703    0.4838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3193   -0.9369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2055    1.0252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5331    2.5287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7910   -0.7232    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9428    1.6321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1779   -1.6094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5434   -1.4507    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.0848    1.9769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4124    3.5011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0634   -1.0576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0572   -2.9266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6814    3.2390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9876   -0.1335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4014   -2.3197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2393   -0.4714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6703   -2.6645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6048   -1.7301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  9 14  2  0  0  0  0
 11 15  1  0  0  0  0
 13 16  2  0  0  0  0
 13 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
  7  9  1  0  0  0  0
 12 15  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (2,936)
2936

>  <Formula> (2,936)
C14H13ClN2O3

>  <MolWeight> (2,936)
292.71762

>  <COMPOUND_NAME> (2,936)
WAY-298516

>  <BAR_CODE_NO> (2,936)
3900023

$$$$
WAY-298569
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -0.2655   -1.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4448   -0.7517    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.0517   -0.9103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2724   -1.9966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4448    0.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1586   -1.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3034   -0.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5379   -1.5759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0586   -2.2448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4448   -2.4034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1621    0.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2655    0.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1586   -1.9966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8690   -0.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7517    0.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1069    0.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1621    1.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2690    1.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8655   -2.4069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5862   -0.3483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0069    1.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3655    0.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4483    1.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8103    1.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4414    2.5448    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.2724    2.9552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1552    2.9586    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  6 13  2  0  0  0  0
  6 14  1  0  0  0  0
  7 15  2  0  0  0  0
  7 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  2  0  0  0  0
 13 19  1  0  0  0  0
 14 20  3  0  0  0  0
 15 21  1  0  0  0  0
 16 22  2  0  0  0  0
 17 23  2  0  0  0  0
 21 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
  8  9  1  0  0  0  0
 10 13  1  0  0  0  0
 18 23  1  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <Mol_ID> (2,937)
2937

>  <Formula> (2,937)
C19H13N5O3

>  <MolWeight> (2,937)
359.33822

>  <COMPOUND_NAME> (2,937)
WAY-298569

>  <BAR_CODE_NO> (2,937)
3900094

$$$$
WAY-298582
csChFnd80/06171916322D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -2.3233   -0.2498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3785   -0.8429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3130   -0.7705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2785    0.8640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3854   -0.3256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4199   -1.9636    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2613   -0.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2268    1.4606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5525   -0.9222    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2164    0.9433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5456   -0.4015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4905   -0.9981    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5870    0.7123    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4801   -0.4774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5767    1.2330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5215    0.6364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4284   -1.0739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6215    2.3502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  7 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
  8 10  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (2,938)
2938

>  <Formula> (2,938)
C14H14N2OS

>  <MolWeight> (2,938)
258.33876

>  <COMPOUND_NAME> (2,938)
WAY-298582

>  <BAR_CODE_NO> (2,938)
3900112

$$$$
WAY-298590
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -2.5098    0.3091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0995   -0.2598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7202    0.1195    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5995    1.0816    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8616   -0.0391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8995   -1.0391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3098    0.8195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3892   -0.6322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8616    1.4298    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4305   -0.6115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4892   -1.5909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4995    0.8195    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2512   -1.3702    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0892    0.1195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7177    0.1195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1177   -0.5805    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1177    0.8195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9384   -0.5805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3384    0.1195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3384   -1.2805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1488    0.1195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1488   -1.2805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5591   -0.5805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5488    0.8195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9384    1.5091    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.8488    1.2195    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.2488    0.4195    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
 10 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
  7  9  2  0  0  0  0
 11 13  2  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (2,939)
2939

>  <Formula> (2,939)
C17H14F3N5OS

>  <MolWeight> (2,939)
393.3861696

>  <COMPOUND_NAME> (2,939)
WAY-298590

>  <BAR_CODE_NO> (2,939)
3900123

$$$$
WAY-298609
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
    2.3517    0.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3517    1.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4931   -0.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3138   -0.1793    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4931    1.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3138    1.4207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6345    0.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8724    0.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6345    1.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2655   -0.3793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8724    0.6414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1276    0.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0069   -0.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1276    1.1414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8655    0.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0069   -1.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7276   -0.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8655   -1.8793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7276   -1.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6069   -1.8793    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  7 10  1  0  0  0  0
  8 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 19 20  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (2,940)
2940

>  <Formula> (2,940)
C14H7BrO4S

>  <MolWeight> (2,940)
351.17198

>  <COMPOUND_NAME> (2,940)
WAY-298609

>  <BAR_CODE_NO> (2,940)
3900145

$$$$
WAY-298612
csChFnd80/06171916322D

 23 27  0  0  0  0  0  0  0  0999 V2000
   -1.4931    1.1172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4931    0.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5241    1.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4621    1.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5241   -0.3069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4621   -0.3069    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1586    0.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9621    2.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1690    0.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1103    2.4931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2310    0.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0586    2.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2552    0.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6828    1.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7931   -0.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8931   -0.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2414   -1.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4379   -1.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7897   -2.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8690   -2.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4897   -1.5207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6172   -3.0552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6069   -2.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  2  0  0  0  0
  9 13  2  0  0  0  0
 11 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
  5  7  1  0  0  0  0
  6  9  1  0  0  0  0
 12 14  1  0  0  0  0
 19 20  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (2,941)
2941

>  <Formula> (2,941)
C17H10N2O3S

>  <MolWeight> (2,941)
322.3379

>  <COMPOUND_NAME> (2,941)
WAY-298612

>  <BAR_CODE_NO> (2,941)
3900152

$$$$
WAY-298630
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -1.0991    0.9344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5991    0.2136    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5991    1.6511    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4366    0.4969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4366    1.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3158   -0.6281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4366   -0.8031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1991    0.9511    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1217   -0.1281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9009   -1.3864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4634   -0.6031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4634   -2.1656    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1616   -1.6489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5842   -0.6031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2158    0.0511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2158    1.8136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2384    0.1719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8009   -1.4031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9217    0.1511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1384    0.1719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9783    0.4969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9783    1.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8009    0.1511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2384   -0.6281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  6  1  0  0  0  0
  8  1  1  0  0  0  0
  9  7  2  0  0  0  0
 10 11  1  0  0  0  0
 11 14  1  0  0  0  0
 12 10  1  0  0  0  0
 13  7  1  0  0  0  0
 14 20  1  0  0  0  0
 15  4  1  0  0  0  0
 16  5  1  0  0  0  0
 17  8  1  0  0  0  0
 18 10  2  0  0  0  0
 19 11  2  0  0  0  0
 20 17  1  0  0  0  0
 21 15  2  0  0  0  0
 22 16  2  0  0  0  0
 23 19  1  0  0  0  0
 24 23  2  0  0  0  0
  4  5  2  0  0  0  0
 22 21  1  0  0  0  0
 18 24  1  0  0  0  0
M  END
>  <Mol_ID> (2,942)
2942

>  <Formula> (2,942)
C17H15FN2O3S

>  <MolWeight> (2,942)
346.3760032

>  <COMPOUND_NAME> (2,942)
WAY-298630

>  <BAR_CODE_NO> (2,942)
3900174

$$$$
WAY-298668
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -0.9483   -0.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9483   -0.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3310    0.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5483    0.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5483   -0.8621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3310   -0.8621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7310   -0.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1483   -0.1483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5483    0.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1483   -0.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7310   -0.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1931   -0.0862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2517   -0.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5483   -0.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6517   -0.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0793   -0.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6690   -0.2483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0310   -0.9483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0690   -0.0276    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.4310   -0.7483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1414    0.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4690   -0.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8310   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7586    0.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5517    0.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8310    1.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6207    1.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2414    1.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2897    1.8379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9207    2.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
 10 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  2  0  0  0  0
 21 24  2  0  0  0  0
 21 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  2  0  0  0  0
 26 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
  7 11  1  0  0  0  0
  8 10  1  0  0  0  0
 20 22  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (2,943)
2943

>  <Formula> (2,943)
C22H23N5O3

>  <MolWeight> (2,943)
405.44972

>  <COMPOUND_NAME> (2,943)
WAY-298668

>  <BAR_CODE_NO> (2,943)
3900216

$$$$
WAY-298711
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -1.4276    1.0552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621    1.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0897    0.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5793    1.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2897    0.7897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6241    2.5207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0241    0.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7276   -0.8793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3103    1.0552    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -4.2862    1.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6483    2.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3586    1.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4897    2.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1517    0.6172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6207    2.4207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9000   -0.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6724   -1.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8517   -0.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4103   -2.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6000   -1.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3724   -2.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1759   -2.9586    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.2276   -2.7586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9897   -4.0345    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
  7  9  1  0  0  0  0
 11 13  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (2,944)
2944

>  <Formula> (2,944)
C17H21N3O4

>  <MolWeight> (2,944)
331.36634

>  <COMPOUND_NAME> (2,944)
WAY-298711

>  <BAR_CODE_NO> (2,944)
3900269

$$$$
WAY-298725
csChFnd80/06171916322D

 28 30  0  0  0  0  0  0  0  0999 V2000
   -2.0034   -0.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8828   -1.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1241    0.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0241   -1.0103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7621   -0.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2241   -2.2103    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2448    1.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1448   -0.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6241   -1.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3034   -2.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2621    0.7069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3241    2.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8552   -0.8103    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4241    3.3276    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4034    2.1483    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2448    2.3276    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.9552   -1.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9379   -2.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8172   -1.7103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0552   -3.4103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6966   -0.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5759    0.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7172   -0.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4759    1.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6172    0.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4966    1.5483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3759    1.7069    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4379    2.6276    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  2  0  0  0  0
 24 27  1  0  0  0  0
 26 28  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (2,945)
2945

>  <Formula> (2,945)
C17H10F5N3OS2

>  <MolWeight> (2,945)
431.402816

>  <COMPOUND_NAME> (2,945)
WAY-298725

>  <BAR_CODE_NO> (2,945)
3900287

$$$$
WAY-298739
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.4621    1.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4690    0.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1828    1.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9655    1.1690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2517   -0.0690    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1828   -0.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8966    1.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1828    2.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9621    0.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1828   -0.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6000    1.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8966    2.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6793   -0.0690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8966   -1.3069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4690   -1.3069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6000    2.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6759   -0.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3931   -1.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9552   -1.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3931   -2.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1138   -0.9069    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.9552   -2.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6759   -2.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  2  0  0  0  0
 11 16  2  0  0  0  0
 13 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  2  0  0  0  0
 20 23  2  0  0  0  0
  5  9  1  0  0  0  0
 12 16  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (2,946)
2946

>  <Formula> (2,946)
C17H13ClN2O2S

>  <MolWeight> (2,946)
344.81532

>  <COMPOUND_NAME> (2,946)
WAY-298739

>  <BAR_CODE_NO> (2,946)
3900303

$$$$
WAY-298790
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -2.0207    0.3518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0103   -0.8240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9759    0.9587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0414    0.9415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9897   -1.4620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0379   -1.4171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0690    0.3415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9759    1.9622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0586    0.3553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0655   -0.8654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0621   -0.8275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0862    0.9380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0828    0.9484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1069    0.3484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1034    1.9587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1069    0.3656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000   -0.8275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1241    0.9277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1138   -1.4206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1379    0.3415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1345   -0.8378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1517   -1.4275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1690   -0.8309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  9 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 17  2  0  0  0  0
 14 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
  7 10  2  0  0  0  0
  9 11  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (2,947)
2947

>  <Formula> (2,947)
C18H14O5

>  <MolWeight> (2,947)
310.30076

>  <COMPOUND_NAME> (2,947)
WAY-298790

>  <BAR_CODE_NO> (2,947)
3900366

$$$$
WAY-298819
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -0.2310   -0.2690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2586    0.2276    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.8552    0.0414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2345   -0.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0655    0.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8586    0.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7448   -0.2655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7517    0.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3655   -1.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8310   -1.3207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6690    1.2552    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.4586    0.9310    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.4586    0.2310    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2414    1.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3586   -2.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9655   -0.9621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9138    1.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0586    1.8966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9586   -2.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5655   -1.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4069    1.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5552    2.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5621   -2.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2276    2.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1586   -2.3586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  2  0  0  0  0
  9 16  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  2  0  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
 19 23  2  0  0  0  0
 21 24  1  0  0  0  0
 23 25  1  0  0  0  0
  5  8  1  0  0  0  0
 20 23  1  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <Mol_ID> (2,948)
2948

>  <Formula> (2,948)
C17H19F3N2O3

>  <MolWeight> (2,948)
356.3395696

>  <COMPOUND_NAME> (2,948)
WAY-298819

>  <BAR_CODE_NO> (2,948)
3900399

$$$$
WAY-298851
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -0.1973    0.5406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0200   -0.1594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1904    1.9544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4042   -0.1456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0200   -1.5594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2510    0.5406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4042    2.6544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0200    2.6751    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6145    0.5544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1973   -2.2456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2303   -2.2456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2510    1.9544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6145    1.9544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8386   -0.1456    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.2111   -3.6456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2303   -3.6456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4614    2.6544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8249    2.6544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0131   -4.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  2  0  0  0  0
 12 17  2  0  0  0  0
 13 18  1  0  0  0  0
 15 19  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  2  0  0  0  0
 16 19  1  0  0  0  0
M  END
>  <Mol_ID> (2,949)
2949

>  <Formula> (2,949)
C15H9ClO3

>  <MolWeight> (2,949)
272.68316

>  <COMPOUND_NAME> (2,949)
WAY-298851

>  <BAR_CODE_NO> (2,949)
3900451

$$$$
WAY-298944-A
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.9260    1.7178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2363    1.9350    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9260    0.9557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5846    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2015    1.3212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0360    2.6729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2363    0.7109    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5846    0.5798    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2363    1.7178    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5846    2.8315    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9463    1.2557    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7774    2.8315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2363    0.9557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5846   -0.1821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3843    1.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2774    0.5798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9877    3.5212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8915    0.5798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1463    1.8315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0153    0.5178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4532    1.1212    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5  7  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 13  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 13 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (2,950)
2950

>  <Formula> (2,950)
C13H20N6O2

>  <MolWeight> (2,950)
292.3369

>  <COMPOUND_NAME> (2,950)
WAY-298944-A

>  <BAR_CODE_NO> (2,950)
3900580

$$$$
WAY-298968
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -0.2379   -0.0759    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.1759    0.4759    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.2379   -1.1759    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.7621    0.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1586    1.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1483   -0.0759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1759   -1.7379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3517   -2.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7621   -0.6379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7241   -0.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7621    1.6310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1759    2.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1276    2.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1483   -1.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9276   -3.1483    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6379   -2.7241    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.3276   -1.6000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.7414    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8793   -1.2207    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1586    3.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1207    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1276   -1.7207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5414   -0.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9897   -1.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1379    3.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  2  0  0  0  0
  5 12  2  0  0  0  0
  5 13  1  0  0  0  0
  6 14  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
 10 18  2  0  0  0  0
 10 19  1  0  0  0  0
 12 20  1  0  0  0  0
 13 21  2  0  0  0  0
 14 22  2  0  0  0  0
 18 23  1  0  0  0  0
 19 24  1  0  0  0  0
 20 25  2  0  0  0  0
  7 14  1  0  0  0  0
 21 25  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (2,951)
2951

>  <Formula> (2,951)
C16H13F3N2O3S

>  <MolWeight> (2,951)
370.3462296

>  <COMPOUND_NAME> (2,951)
WAY-298968

>  <BAR_CODE_NO> (2,951)
3900608

$$$$
WAY-299008
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -4.7251   -0.0268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1677   -1.4194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7977    1.1522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2098    0.1868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6830   -1.6331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0951   -2.5984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3130    0.9385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1371   -0.9922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7556   -0.4541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5798   -2.3848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856    2.1175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2709   -0.6677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0991    1.9039    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9430    3.5101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0264    3.0829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6564    0.5113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5112    2.8692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1411    0.2977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0685    1.4766    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5532    1.2630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1106   -0.1296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5953   -0.3432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1832   -1.3086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1526   -1.7358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7406   -2.7012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2253   -2.9148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  9 12  2  0  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
 18 19  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (2,952)
2952

>  <Formula> (2,952)
C21H20N2O3

>  <MolWeight> (2,952)
348.3951

>  <COMPOUND_NAME> (2,952)
WAY-299008

>  <BAR_CODE_NO> (2,952)
3900664

$$$$
WAY-299017
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.9547   -1.1348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9547   -0.5727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4547   -1.4141    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4443   -1.4141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4547   -0.2934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4443   -0.2934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0350   -1.1348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9340   -1.1348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0350   -0.5727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4547    0.2652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9340   -0.5727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5246   -1.4141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5246   -0.2934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4764    0.2342    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0867   -0.5348    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0143    0.5066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0246    1.0652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5557    1.3756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5246    1.3169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5867    1.9445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5557    1.8859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0867    2.1859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  2  0  0  0  0
  9 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (2,953)
2953

>  <Formula> (2,953)
C17H14N2O3

>  <MolWeight> (2,953)
294.30466

>  <COMPOUND_NAME> (2,953)
WAY-299017

>  <BAR_CODE_NO> (2,953)
3900676

$$$$
WAY-299018
csChFnd80/06171916322D

 23 26  0  0  0  0  0  0  0  0999 V2000
   -0.5960   -0.0636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5960    1.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5247   -0.4256    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6374   -0.6567    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5247    1.4916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6374    1.7226    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2040    0.5330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9212   -1.5498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6615   -0.0636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0212    2.5640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6615    1.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3937    0.6468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0799   -1.7808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6856   -0.6567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2109    2.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6856    1.7226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8902    1.7226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4419   -2.9049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8557   -0.9049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7270   -0.0636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7270    1.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5833   -3.1498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9626   -4.2567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 17  2  0  0  0  0
 13 18  1  0  0  0  0
 13 19  2  0  0  0  0
 14 20  2  0  0  0  0
 16 21  2  0  0  0  0
 18 22  1  0  0  0  0
 22 23  1  0  0  0  0
  5  7  2  0  0  0  0
  9 11  2  0  0  0  0
 15 17  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (2,954)
2954

>  <Formula> (2,954)
C18H15N3O2

>  <MolWeight> (2,954)
305.3306

>  <COMPOUND_NAME> (2,954)
WAY-299018

>  <BAR_CODE_NO> (2,954)
3900677

$$$$
WAY-299086
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -1.0708    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0708   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1125    1.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1125   -0.9292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0125    1.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1333    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1333   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292    0.8958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667    1.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0125   -0.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0875    0.8958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0125    2.6958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667    2.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1125    2.6708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1125   -2.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1333   -2.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1333   -3.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1708    1.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1708   -0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1292    1.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042    3.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0875    3.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2208    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2208   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1292    2.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  6  2  0  0  0  0
  8  5  1  0  0  0  0
  9  8  1  0  0  0  0
 10  2  2  0  0  0  0
 11  9  2  0  0  0  0
 12  5  2  0  0  0  0
 13  9  1  0  0  0  0
 14  3  1  0  0  0  0
 15  4  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18  6  1  0  0  0  0
 19  7  1  0  0  0  0
 20 11  1  0  0  0  0
 21 13  1  0  0  0  0
 22 13  2  0  0  0  0
 23 18  2  0  0  0  0
 24 23  1  0  0  0  0
 25 22  1  0  0  0  0
  4  7  1  0  0  0  0
 24 19  2  0  0  0  0
 25 20  2  0  0  0  0
M  END
>  <Mol_ID> (2,955)
2955

>  <Formula> (2,955)
C19H17N3O3

>  <MolWeight> (2,955)
335.35658

>  <COMPOUND_NAME> (2,955)
WAY-299086

>  <BAR_CODE_NO> (2,955)
3900764

$$$$
WAY-299089-A
csChFnd80/06171916322D

 16 18  0  0  0  0  0  0  0  0999 V2000
   -1.5034    0.5332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5034   -0.8910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2586    1.2504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7448    1.2504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2586   -1.6082    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7448   -1.6082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9759    0.5332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2586    2.6849    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9828    0.5332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9759   -0.8910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9828   -0.8910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0931    1.4263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0931   -1.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4931    1.1090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4931   -1.4668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1138   -0.1772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
 10 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
  7 10  1  0  0  0  0
  9 11  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (2,956)
2956

>  <Formula> (2,956)
C14H16N2

>  <MolWeight> (2,956)
212.29024

>  <COMPOUND_NAME> (2,956)
WAY-299089-A

>  <BAR_CODE_NO> (2,956)
3900767

$$$$
WAY-299096
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -3.3586    0.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3517    0.8552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6483   -0.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0759   -0.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6345    1.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0621    1.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9276    0.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7966    0.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9207    0.8448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7862    0.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2103    1.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4966    0.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4966    0.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2241    1.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2138   -0.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9379    0.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9276   -0.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6414   -0.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3517    0.0069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6414   -1.2414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0655   -0.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7724    0.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0621   -1.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4862   -0.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7655   -1.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4862   -1.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1897   -1.6310    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
 16 17  2  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <Mol_ID> (2,957)
2957

>  <Formula> (2,957)
C23H21FN2O

>  <MolWeight> (2,957)
360.4240432

>  <COMPOUND_NAME> (2,957)
WAY-299096

>  <BAR_CODE_NO> (2,957)
3900775

$$$$
WAY-299100
csChFnd80/06171916322D

 30 32  0  0  0  0  0  0  0  0999 V2000
   -0.4726   -0.8371    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9476   -1.0746    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3893   -0.2371    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3976   -0.7746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3476   -0.2246    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8726    0.0296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4899    0.6754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3726   -0.7704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8768   -1.0371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0232   -0.5871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4899    0.1254    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9899    0.8629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2268   -1.3246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7101   -0.3496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9107    1.0004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0774    1.4004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0524   -0.0496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4607   -0.8996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9774   -0.1204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8601    0.6004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8476   -1.0496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9732   -0.6746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5274    0.1754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4107    0.5129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5774    1.7796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6024    1.5921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3268    0.9004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8601   -1.5871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9232    0.7004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0232    1.2421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  2  1  0  0  0  0
  5  8  2  0  0  0  0
  6  3  2  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  9  4  2  0  0  0  0
 10  1  1  0  0  0  0
 11 19  1  0  0  0  0
 12  7  1  0  0  0  0
 13  1  2  0  0  0  0
 14  1  2  0  0  0  0
 15  7  2  0  0  0  0
 16 12  2  0  0  0  0
 17 10  2  0  0  0  0
 18 10  1  0  0  0  0
 19 22  1  0  0  0  0
 20  6  1  0  0  0  0
 21  8  1  0  0  0  0
 22 18  2  0  0  0  0
 23 17  1  0  0  0  0
 24 12  1  0  0  0  0
 25 16  1  0  0  0  0
 26 16  1  0  0  0  0
 27 20  1  0  0  0  0
 28 21  1  0  0  0  0
 29 24  2  0  0  0  0
 30 29  1  0  0  0  0
 19 23  2  0  0  0  0
  5  6  1  0  0  0  0
 30 26  2  0  0  0  0
M  END
>  <Mol_ID> (2,958)
2958

>  <Formula> (2,958)
C20H20N4O5S

>  <MolWeight> (2,958)
428.4616

>  <COMPOUND_NAME> (2,958)
WAY-299100

>  <BAR_CODE_NO> (2,958)
3900782

$$$$
WAY-299141
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -1.1624   -0.9860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1624   -0.1619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3831   -1.2412    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8762   -1.3998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3831    0.0968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8762    0.2519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1031   -0.5653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5969   -0.9860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1244    0.8830    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5969   -0.1619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9273   -0.5653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3141   -1.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3411    0.1519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3411   -1.2791    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1652    0.1519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9273    0.8726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5790    0.8623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3411    1.5830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1652    1.5830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5859    2.3105    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 19 20  1  0  0  0  0
  5  7  2  0  0  0  0
  8 10  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (2,959)
2959

>  <Formula> (2,959)
C15H11ClN2OS

>  <MolWeight> (2,959)
302.77864

>  <COMPOUND_NAME> (2,959)
WAY-299141

>  <BAR_CODE_NO> (2,959)
3900848

$$$$
WAY-299170
csChFnd80/06171916322D

 22 25  0  0  0  0  0  0  0  0999 V2000
   -0.7980    0.2144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7980   -0.8615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7014    0.2144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1399    0.7489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7497   -1.3959    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1399   -1.3959    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7014   -0.8615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6566    0.7489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0917    0.2144    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1399    1.7558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0917   -0.8615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6566   -1.3959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6083    0.2144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0744    0.7730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0917   -1.7615    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6083   -0.8615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0744    1.9248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0813    0.2006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1296   -2.8442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0606    2.5144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0813    0.7730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0813    1.9420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  1  0  0  0  0
 17 20  2  0  0  0  0
 18 21  1  0  0  0  0
 20 22  1  0  0  0  0
  5  7  1  0  0  0  0
  9 11  1  0  0  0  0
 13 16  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (2,960)
2960

>  <Formula> (2,960)
C17H16N2OS2

>  <MolWeight> (2,960)
328.45174

>  <COMPOUND_NAME> (2,960)
WAY-299170

>  <BAR_CODE_NO> (2,960)
3900891

$$$$
WAY-299178
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -2.5172    0.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4552   -0.9690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8759    0.7724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5379    1.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7552   -1.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2552   -1.7483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6172   -0.3897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2379    2.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8966    2.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0172   -1.0897    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.2552    3.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0448    0.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1828   -1.8483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3034    0.9724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1379    1.0724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4828    0.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4241   -1.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7241    0.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6034   -1.9483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9034    0.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8448   -1.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0448   -2.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  6 10  1  0  0  0  0
  8 11  2  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 21 22  1  0  0  0  0
  5  7  1  0  0  0  0
  9 11  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (2,961)
2961

>  <Formula> (2,961)
C18H19N3O

>  <MolWeight> (2,961)
293.36296

>  <COMPOUND_NAME> (2,961)
WAY-299178

>  <BAR_CODE_NO> (2,961)
3900900

$$$$
WAY-299189
csChFnd80/06171916322D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -0.4655   -0.1828    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.3690   -0.6621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4448    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3034   -0.6621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3690   -1.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2172   -0.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2828    1.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3966    1.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3034   -1.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4655   -2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2172   -2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0345   -0.6345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1966    0.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3034    2.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3966    2.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1655   -2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4448   -3.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8690   -0.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4448    2.7276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4310    3.6897    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  2  0  0  0  0
  7 14  2  0  0  0  0
  8 15  1  0  0  0  0
  9 16  2  0  0  0  0
 10 17  1  0  0  0  0
 12 18  1  0  0  0  0
 14 19  1  0  0  0  0
 19 20  1  0  0  0  0
  9 10  1  0  0  0  0
 15 19  2  0  0  0  0
M  END
>  <Mol_ID> (2,962)
2962

>  <Formula> (2,962)
C14H15FN2O3

>  <MolWeight> (2,962)
278.2789032

>  <COMPOUND_NAME> (2,962)
WAY-299189

>  <BAR_CODE_NO> (2,962)
3900913

$$$$
WAY-299194
csChFnd80/06171916322D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -1.5148    0.0370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6321    0.5577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5148   -0.9561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3976    0.5577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2162    0.0853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6010    1.5508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6321   -1.4733    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3976   -1.4733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2493    0.0853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2162   -0.9561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5645    2.0543    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4838    2.0715    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2493   -0.9561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7231   -1.8526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6507    1.8336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5645    3.0646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6990   -1.6630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4059   -2.7975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4403    2.3715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3059    3.6784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3610   -2.3733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0679   -3.5078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4093    3.3784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0472   -3.3181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
  8 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  1  0  0  0  0
 14 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  2  0  0  0  0
 19 23  1  0  0  0  0
 21 24  2  0  0  0  0
  7 10  2  0  0  0  0
  9 13  1  0  0  0  0
 20 23  1  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <Mol_ID> (2,963)
2963

>  <Formula> (2,963)
C20H18N2O2

>  <MolWeight> (2,963)
318.36912

>  <COMPOUND_NAME> (2,963)
WAY-299194

>  <BAR_CODE_NO> (2,963)
3900919

$$$$
WAY-299199
csChFnd80/06171916322D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.0841   -0.8245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3427   -0.4211    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0841   -2.1694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0677   -0.1556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1082   -1.5107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7668    0.8479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3427   -2.5728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0677   -2.8280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2159   -0.8245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4461   -1.5590    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8599    1.8513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2159   -2.1694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2841    3.1203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4366    1.5651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5125   -2.8487    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.4082    4.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3125    2.5686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8987    3.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  8 12  2  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  2  0  0  0  0
 16 18  2  0  0  0  0
  5  7  1  0  0  0  0
  9 12  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (2,964)
2964

>  <Formula> (2,964)
C14H10BrNO2

>  <MolWeight> (2,964)
304.1387

>  <COMPOUND_NAME> (2,964)
WAY-299199

>  <BAR_CODE_NO> (2,964)
3900925

$$$$
WAY-299230
csChFnd80/06171916322D

 14 15  0  0  0  0  0  0  0  0999 V2000
    0.2207    0.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0586   -0.5759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1414    0.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4034    1.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9793   -0.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7103   -1.1069    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4310   -0.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6724    1.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3069    0.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5793   -0.0690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3310   -0.8759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1966    1.8241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5276   -0.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8414   -1.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  3  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
  6  7  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <Mol_ID> (2,965)
2965

>  <Formula> (2,965)
C10H13N3S

>  <MolWeight> (2,965)
207.29532

>  <COMPOUND_NAME> (2,965)
WAY-299230

>  <BAR_CODE_NO> (2,965)
3900960

$$$$
WAY-299249
csChFnd80/06171916322D

 22 23  0  0  0  0  0  0  0  0999 V2000
    7.3000   -2.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9542   -2.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7042   -3.5042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7167   -2.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6500   -2.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9000   -3.5042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3000   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3250   -3.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8875   -1.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3000   -0.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0542   -0.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0167   -1.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0917   -2.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6292   -2.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2542   -1.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8792   -2.4792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4625   -3.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6917   -3.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1917   -0.9292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3917   -2.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9542   -0.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1250    0.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  0  0  0  0
  5  1  2  0  0  0  0
  6  5  1  0  0  0  0
  7  1  1  0  0  0  0
  8  4  2  0  0  0  0
  9  4  1  0  0  0  0
 10  7  3  0  0  0  0
 11  9  3  0  0  0  0
 12 15  1  0  0  0  0
 13  8  1  0  0  0  0
 14 17  1  0  0  0  0
 15 13  2  0  0  0  0
 16  5  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 19 12  1  0  0  0  0
 20 14  1  0  0  0  0
 21 19  1  0  0  0  0
 22 21  1  0  0  0  0
  3  6  1  0  0  0  0
 12 14  2  0  0  0  0
M  END
>  <Mol_ID> (2,966)
2966

>  <Formula> (2,966)
C15H13N5O2

>  <MolWeight> (2,966)
295.29602

>  <COMPOUND_NAME> (2,966)
WAY-299249

>  <BAR_CODE_NO> (2,966)
3900985

$$$$
WAY-299251
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -1.3599    0.6602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0358    0.2084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6634    0.1843    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1082    1.4843    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7703    0.6153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0358   -0.6502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0021    0.7015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2910    1.4843    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4806    0.2084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7703   -1.0571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7469    0.1843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4806   -0.6502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4056    0.6843    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1944   -1.0985    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.2228    0.1222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9504    0.5464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2228   -0.7261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6504    0.1222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9504   -1.1433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6504   -0.7364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3883   -1.1433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 20 21  1  0  0  0  0
  7  8  1  0  0  0  0
 10 12  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (2,967)
2967

>  <Formula> (2,967)
C16H13BrN2O2

>  <MolWeight> (2,967)
345.19062

>  <COMPOUND_NAME> (2,967)
WAY-299251

>  <BAR_CODE_NO> (2,967)
3900987

$$$$
WAY-299252
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -0.6069   -0.8172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2034   -1.5345    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.4310   -0.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1897   -0.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6207   -1.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6241   -2.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8517   -1.5241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414   -0.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5966    0.6138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6379   -0.1103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0207   -2.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0345   -0.8379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4448   -2.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1759    1.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8448   -2.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6000   -2.9724    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.8586   -0.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8621   -2.9483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5828    2.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690   -1.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1655    2.7517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6621    2.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5724    3.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0793    3.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1552    4.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6724    4.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  1  0  0  0  0
 12 17  2  0  0  0  0
 13 18  2  0  0  0  0
 14 19  1  0  0  0  0
 15 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  2  0  0  0  0
  7 13  1  0  0  0  0
 17 20  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (2,968)
2968

>  <Formula> (2,968)
C21H20ClNO3

>  <MolWeight> (2,968)
369.8414

>  <COMPOUND_NAME> (2,968)
WAY-299252

>  <BAR_CODE_NO> (2,968)
3900989

$$$$
WAY-299267
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.1448    0.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2207    0.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4552   -0.1931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5552    1.5448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7828   -0.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7655    1.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5172    0.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5552    1.1690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8828   -0.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8655    1.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3793   -0.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4034    0.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3793   -0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2552   -1.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4828    0.7069    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -4.2552   -0.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1345   -2.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0207    1.6448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0448   -0.2310    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -4.1345   -1.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0172   -2.4931    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  2  0  0  0  0
 20 21  1  0  0  0  0
  7  8  2  0  0  0  0
 10 12  2  0  0  0  0
 17 20  1  0  0  0  0
M  END
>  <Mol_ID> (2,969)
2969

>  <Formula> (2,969)
C14H8ClN3O3

>  <MolWeight> (2,969)
301.68462

>  <COMPOUND_NAME> (2,969)
WAY-299267

>  <BAR_CODE_NO> (2,969)
3901007

$$$$
WAY-299268
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.6897    0.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5759    0.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1966   -0.1759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1138    1.2414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0138    1.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0276   -0.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6621    0.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6897    0.9379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9138    1.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5655    2.0862    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.9276   -0.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3621   -0.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3586    0.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1862   -0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2621   -1.3586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9034   -0.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9862   -1.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8103   -1.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5241   -2.0586    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  9 13  2  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 18 19  1  0  0  0  0
  7  8  2  0  0  0  0
 11 13  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (2,970)
2970

>  <Formula> (2,970)
C14H8Cl2N2O

>  <MolWeight> (2,970)
291.13212

>  <COMPOUND_NAME> (2,970)
WAY-299268

>  <BAR_CODE_NO> (2,970)
3901008

$$$$
WAY-299298
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
    4.8797    2.0907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4429    2.0907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8797    0.7015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6545    2.7921    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4429    0.7015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6545    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0686    2.7921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2540    2.7921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2801    3.4936    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6545    4.1814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7000    6.9872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0686    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2435    4.1632    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8934    4.8692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4611    4.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4429    6.2721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9253    6.2402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6864    8.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2540    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0151    2.1226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9572    9.0596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5567    9.0915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5567   10.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9572   10.4170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8002   11.1686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  2  2  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  7  3  0  0  0  0
 10  4  1  0  0  0  0
 11 16  1  0  0  0  0
 12  3  1  0  0  0  0
 13  8  2  0  0  0  0
 14 10  2  0  0  0  0
 15 10  1  0  0  0  0
 16 15  2  0  0  0  0
 17 14  1  0  0  0  0
 18 11  1  0  0  0  0
 19  5  1  0  0  0  0
 20  8  1  0  0  0  0
 21 20  1  0  0  0  0
 22 18  2  0  0  0  0
 23 18  1  0  0  0  0
 24 23  2  0  0  0  0
 25 22  1  0  0  0  0
 26 24  1  0  0  0  0
  5  6  1  0  0  0  0
 11 17  2  0  0  0  0
 19 21  1  0  0  0  0
 26 25  2  0  0  0  0
M  END
>  <Mol_ID> (2,971)
2971

>  <Formula> (2,971)
C22H18N2O2

>  <MolWeight> (2,971)
342.39052

>  <COMPOUND_NAME> (2,971)
WAY-299298

>  <BAR_CODE_NO> (2,971)
3901051

$$$$
WAY-299305
csChFnd80/06171916322D

 22 25  0  0  0  0  0  0  0  0999 V2000
   -0.4207   -1.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4517   -0.5207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6483   -1.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4517   -2.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5655   -2.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0483    0.7172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7138   -0.7931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0517    0.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1724   -3.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4000   -3.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1966    0.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9138    1.6690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5517    0.1552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0862   -2.0517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2966    0.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000    2.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1793    1.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8793   -0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7000    1.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8345    2.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0276    2.4069    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5862    3.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  2  0  0  0  0
  8 15  1  0  0  0  0
 11 16  1  0  0  0  0
 12 17  2  0  0  0  0
 13 18  1  0  0  0  0
 15 19  2  0  0  0  0
 16 20  2  0  0  0  0
 17 21  1  0  0  0  0
 21 22  1  0  0  0  0
  8 11  2  0  0  0  0
  9 10  1  0  0  0  0
 13 17  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (2,972)
2972

>  <Formula> (2,972)
C18H20N2OS

>  <MolWeight> (2,972)
312.4292

>  <COMPOUND_NAME> (2,972)
WAY-299305

>  <BAR_CODE_NO> (2,972)
3901064

$$$$
WAY-299326
csChFnd80/06171916322D

 19 22  0  0  0  0  0  0  0  0999 V2000
   -0.2759   -0.2517    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.2828    0.5793    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.9931   -0.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4379   -0.6621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4276    0.9828    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.8931    1.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7172   -0.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9897   -1.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1448   -0.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1414    0.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2517    1.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5621    1.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4345   -0.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7069   -1.9103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8621   -0.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8621    0.9966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4276   -1.4966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5793   -0.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5793    0.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  2  0  0  0  0
  9 15  2  0  0  0  0
 10 16  2  0  0  0  0
 13 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  2  0  0  0  0
 14 17  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (2,973)
2973

>  <Formula> (2,973)
C17H16N2

>  <MolWeight> (2,973)
248.32234

>  <COMPOUND_NAME> (2,973)
WAY-299326

>  <BAR_CODE_NO> (2,973)
3901087

$$$$
WAY-299332
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
    0.4310   -0.5759    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.1448   -0.9966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4310    0.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2862   -0.9966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1448   -1.8276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8655   -0.5828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2862    0.6621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1517    0.6621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2862   -1.8276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4310   -2.2345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8655   -2.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5828   -1.0034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8690    0.2448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2897    1.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1517    1.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0034   -2.2414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3034   -0.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0069    1.8966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4310    1.9103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7241    1.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4345    1.9103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7276    0.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1517    1.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4414    0.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1586    0.6759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  2  0  0  0  0
  7 14  2  0  0  0  0
  8 15  1  0  0  0  0
  9 16  2  0  0  0  0
 12 17  1  0  0  0  0
 14 18  1  0  0  0  0
 14 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  2  0  0  0  0
  9 10  1  0  0  0  0
 15 19  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (2,974)
2974

>  <Formula> (2,974)
C20H19NO4

>  <MolWeight> (2,974)
337.36916

>  <COMPOUND_NAME> (2,974)
WAY-299332

>  <BAR_CODE_NO> (2,974)
3901093

$$$$
WAY-299351
csChFnd80/06171916322D

 17 19  0  0  0  0  0  0  0  0999 V2000
    0.0406   -0.3395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5114    0.4465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0646    0.2455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8504    0.0115    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5294   -0.4925    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5416   -0.6395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7304    0.9985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3154    1.1365    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5416   -1.2425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4274    1.5175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3514    1.7185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8294    1.9645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0346   -1.5605    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.0696   -0.3395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0696   -1.5425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5916   -0.6395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5916   -1.2425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  6  1  0  0  0  0
  7 10  2  0  0  0  0
 11  8  1  0  0  0  0
 12 10  1  0  0  0  0
 13  9  1  0  0  0  0
 14  6  2  0  0  0  0
  9 15  2  0  0  0  0
 16 14  1  0  0  0  0
 17 16  2  0  0  0  0
  2  4  2  0  0  0  0
 15 17  1  0  0  0  0
 12 11  2  0  0  0  0
M  END
>  <Mol_ID> (2,975)
2975

>  <Formula> (2,975)
C12H7ClN2OS

>  <MolWeight> (2,975)
262.71478

>  <COMPOUND_NAME> (2,975)
WAY-299351

>  <BAR_CODE_NO> (2,975)
3901118

$$$$
WAY-299359
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
    1.1345   -1.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4828   -0.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3034   -0.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6966   -2.6034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4828    0.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7207   -1.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1345    1.0690    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1276   -0.0759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6552   -3.6552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7034   -2.8759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7207    1.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9690   -0.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8310    1.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9690    0.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2828    1.1690    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.1276    2.4069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0034    2.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2448    0.0862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3966    2.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5517    0.6759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  8 13  1  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
  5  7  1  0  0  0  0
 12 14  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (2,976)
2976

>  <Formula> (2,976)
C14H18N2O3S

>  <MolWeight> (2,976)
294.36932

>  <COMPOUND_NAME> (2,976)
WAY-299359

>  <BAR_CODE_NO> (2,976)
3901126

$$$$
WAY-299382
csChFnd80/06171916322D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -0.1726    0.7274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5347    0.4446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9550   -0.1174    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2688    2.0136    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4554    1.5274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9795   -0.8347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0757    0.6860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6308    2.0136    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8243    1.2446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3416   -1.1209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4377    0.4101    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2623   -0.1174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8791   -0.8761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6657   -0.4347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2412   -1.1623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1071   -1.7623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6860   -2.4830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1688   -0.1588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  9 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
  7  8  1  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <Mol_ID> (2,977)
2977

>  <Formula> (2,977)
C11H11N3O3S

>  <MolWeight> (2,977)
265.28834

>  <COMPOUND_NAME> (2,977)
WAY-299382

>  <BAR_CODE_NO> (2,977)
3901154

$$$$
WAY-299394
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
   -0.6518    0.2797    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6518   -0.5582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3760    0.7004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1344    0.5418    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1344   -0.8099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3760   -0.9686    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0932    0.2797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3760    1.5349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6275   -0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4171   -1.6030    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.0932   -0.5582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5346    1.5349    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2070    1.5349    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3760    2.3694    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.4620   -0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8139   -0.9686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8757    0.5866    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8757   -0.8823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5312   -0.5582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8139   -1.8099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7171    0.5866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2794   -0.9686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5312   -2.2272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1344    1.3004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1344   -0.1548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2518   -1.8099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9654    1.3004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7171    2.0521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9654   -0.1548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3861    0.5866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4102   -0.8823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 11 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 16 20  2  0  0  0  0
 17 21  1  0  0  0  0
 19 22  2  0  0  0  0
 20 23  1  0  0  0  0
 21 24  2  0  0  0  0
 21 25  1  0  0  0  0
 22 26  1  0  0  0  0
 24 27  1  0  0  0  0
 24 28  1  0  0  0  0
 25 29  2  0  0  0  0
 27 30  2  0  0  0  0
 29 31  1  0  0  0  0
  5  9  1  0  0  0  0
  7 11  1  0  0  0  0
 23 26  2  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (2,978)
2978

>  <Formula> (2,978)
C21H14ClF3N4O2

>  <MolWeight> (2,978)
446.8096696

>  <COMPOUND_NAME> (2,978)
WAY-299394

>  <BAR_CODE_NO> (2,978)
3901171

$$$$
WAY-299418
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -1.2793   -1.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1966   -1.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2793   -0.0759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3586   -1.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1966   -2.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0966   -1.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3793    0.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3586   -2.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2793   -3.2552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0966   -3.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0172   -1.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5414   -0.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3793    1.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0172   -2.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4621    0.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5414    2.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9379   -3.2966    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4621    1.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3828    2.0655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2828    1.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3828    3.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2034    2.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2828    3.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2034    3.1448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1207    3.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  2  0  0  0  0
  7 13  1  0  0  0  0
 10 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
  8  9  1  0  0  0  0
 11 14  1  0  0  0  0
 16 18  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (2,979)
2979

>  <Formula> (2,979)
C20H21ClN4

>  <MolWeight> (2,979)
352.86054

>  <COMPOUND_NAME> (2,979)
WAY-299418

>  <BAR_CODE_NO> (2,979)
3901207

$$$$
WAY-299420
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -1.6138   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7690   -0.0244    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4793   -0.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6138   -2.0003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9172    0.6445    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1000    1.1376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4379   -1.1796    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6655   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4793   -2.6520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7448   -2.6727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1655    0.2514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9172    1.9756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8138   -0.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6655   -2.0003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9103    1.3169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1655    2.3721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9483   -0.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8310    1.2859    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0966   -0.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2276   -0.7037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1034    1.2756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3586   -0.0520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2379    1.9307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3655    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
  9 14  2  0  0  0  0
 15 16  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (2,980)
2980

>  <Formula> (2,980)
C18H20N2O3S

>  <MolWeight> (2,980)
344.428

>  <COMPOUND_NAME> (2,980)
WAY-299420

>  <BAR_CODE_NO> (2,980)
3901209

$$$$
WAY-299433
csChFnd80/06171916322D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -0.0555    0.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3796    0.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7687    0.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4796   -0.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1969    1.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2445    1.5207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9445    1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3687   -0.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0693   -1.2103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2969   -0.4862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5210    1.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6969    0.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7307    1.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1583   -0.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4934   -1.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7514   -1.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3417    1.9586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5210    0.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3445    0.7897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7687   -0.5793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0796   -2.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1583   -1.9345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8486    1.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7411   -2.6414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  2  0  0  0  0
  9 15  1  0  0  0  0
  9 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  2  0  0  0  0
 13 19  2  0  0  0  0
 14 20  1  0  0  0  0
 15 21  1  0  0  0  0
 16 22  1  0  0  0  0
 17 23  2  0  0  0  0
 21 24  1  0  0  0  0
  6  7  1  0  0  0  0
 14 19  1  0  0  0  0
 18 23  1  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <Mol_ID> (2,981)
2981

>  <Formula> (2,981)
C19H17NO4

>  <MolWeight> (2,981)
323.34258

>  <COMPOUND_NAME> (2,981)
WAY-299433

>  <BAR_CODE_NO> (2,981)
3901228

$$$$
WAY-299514
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -2.4690    0.9207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8276    0.1310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4276    1.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8897    1.7414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9069    0.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0690   -0.8379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8379    1.9621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0483    0.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9379    1.4414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0793   -0.1379    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0069   -1.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8069    2.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0069    0.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8414    0.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4276    1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6414   -0.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5517    0.0931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5103   -1.2897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3621   -0.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2414   -0.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2310   -1.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0724   -0.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2828    0.9000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.0621   -2.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9621   -1.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9828   -3.0069    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
 10 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
 24 26  1  0  0  0  0
  5  9  2  0  0  0  0
 13 15  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (2,982)
2982

>  <Formula> (2,982)
C18H22Cl2N4OS

>  <MolWeight> (2,982)
413.36448

>  <COMPOUND_NAME> (2,982)
WAY-299514

>  <BAR_CODE_NO> (2,982)
3901323

$$$$
WAY-382506
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
    2.2798    0.0097    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6660    1.1787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1488   -0.4178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0626   -0.9178    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7350    1.7822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6074    1.8580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2143   -1.6627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0488    0.2615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4212   -1.9765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3039   -0.8385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8039    2.9856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6453    3.0960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2246   -2.3730    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8867   -3.1454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7453    3.6546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8754   -1.8040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8995   -2.5144    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9788   -0.5592    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0029   -1.9765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1064   -0.7351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9926   -2.6523    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1167    0.0097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2443   -0.2420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2581    1.2477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3857    0.9994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3961    1.7477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5374    2.9856    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  2  0  0  0  0
 26 27  1  0  0  0  0
  7  9  2  0  0  0  0
 12 15  2  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (2,983)
2983

>  <Formula> (2,983)
C19H17FN4O2S

>  <MolWeight> (2,983)
384.4272832

>  <COMPOUND_NAME> (2,983)
WAY-382506

>  <BAR_CODE_NO> (2,983)
2540004

$$$$
WAY-382818
csChFnd80/06171916322D

 33 36  0  0  0  0  0  0  0  0999 V2000
    9.1542   -7.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9167   -7.7250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7417   -6.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7417   -7.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9167   -6.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5042   -7.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0167   -5.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875   -4.1667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0167   -4.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4292   -4.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4417   -6.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5042   -5.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875   -5.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7750   -4.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1667   -8.4417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6792   -7.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2667   -6.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1667   -5.5750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6792   -5.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0292   -7.0417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4292   -3.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9167   -4.8667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9792   -7.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4917   -8.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7750   -6.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9417   -4.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2542   -3.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0167   -2.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9417   -6.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5292   -5.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6667   -2.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4292   -2.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2542   -2.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  2  0  0  0  0
  6  2  1  0  0  0  0
  7 11  1  0  0  0  0
  8 14  1  0  0  0  0
  9 10  1  0  0  0  0
 10  7  2  0  0  0  0
 11 17  1  0  0  0  0
 12  5  1  0  0  0  0
 13  7  1  0  0  0  0
 14 13  2  0  0  0  0
 15  4  2  0  0  0  0
 16  6  2  0  0  0  0
 17 19  1  0  0  0  0
 18  3  1  0  0  0  0
 19 12  1  0  0  0  0
 20 11  2  0  0  0  0
 21  9  1  0  0  0  0
 22 12  2  0  0  0  0
 23  1  1  0  0  0  0
 24  2  1  0  0  0  0
 25 13  1  0  0  0  0
 26 14  1  0  0  0  0
 27 21  2  0  0  0  0
 28 21  1  0  0  0  0
 29 25  2  0  0  0  0
 30 29  1  0  0  0  0
 31 27  1  0  0  0  0
 32 28  2  0  0  0  0
 33 32  1  0  0  0  0
  6  5  1  0  0  0  0
  8  9  2  0  0  0  0
 30 26  2  0  0  0  0
 33 31  2  0  0  0  0
M  END
>  <Mol_ID> (2,984)
2984

>  <Formula> (2,984)
C24H20N4O5

>  <MolWeight> (2,984)
444.4394

>  <COMPOUND_NAME> (2,984)
WAY-382818

>  <BAR_CODE_NO> (2,984)
2540338

$$$$
WAY-386501
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
   -2.2125    2.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0500    1.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5833    1.6958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4458    2.5208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2833    2.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083    2.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6708    2.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4208    1.4958    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7958    1.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000    1.9208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042    2.5208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0125    2.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7792    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0625    3.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2458    1.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458    2.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042    2.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1500    1.7458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833    2.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6625    2.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3833    3.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9875    3.2333    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000    1.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5833    1.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3625    1.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5500    2.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3500    1.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0333    1.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8208    1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6875    2.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1583    1.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  6  1  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  7  2  0  0  0  0
 10  5  1  0  0  0  0
 11 12  1  0  0  0  0
 12 19  1  0  0  0  0
 13 11  1  0  0  0  0
 14  6  2  0  0  0  0
 15  9  1  0  0  0  0
 16  4  1  0  0  0  0
 17 13  1  0  0  0  0
 18 12  2  0  0  0  0
 19 10  1  0  0  0  0
 20 16  1  0  0  0  0
 21 20  2  0  0  0  0
 22 17  1  0  0  0  0
 23 13  2  0  0  0  0
 24 15  2  0  0  0  0
 25 15  1  0  0  0  0
 26 17  2  0  0  0  0
 27 23  1  0  0  0  0
 28 24  1  0  0  0  0
 29 25  2  0  0  0  0
 30 27  2  0  0  0  0
 31 29  1  0  0  0  0
  9  8  1  0  0  0  0
  3  5  2  0  0  0  0
 28 31  2  0  0  0  0
 26 30  1  0  0  0  0
M  END
>  <Mol_ID> (2,985)
2985

>  <Formula> (2,985)
C23H18FN3O2S2

>  <MolWeight> (2,985)
451.5363232

>  <COMPOUND_NAME> (2,985)
WAY-386501

>  <BAR_CODE_NO> (2,985)
2540757

$$$$
WAY-386516
csChFnd80/06171916322D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.3312   -0.0065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0450   -0.4203    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3791   -0.4272    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3278    0.8176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9657   -1.2410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7933   -0.0824    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0964   -0.0134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3929    1.2314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6312   -1.7203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2071   -1.5755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4692   -0.5686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0964    0.8107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8170   -0.4306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3929    2.0556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2830   -0.4444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8170    1.2245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5308   -0.0203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5308    0.8107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  1  0  0  0  0
 16 18  1  0  0  0  0
  8 12  1  0  0  0  0
  9 11  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (2,986)
2986

>  <Formula> (2,986)
C15H15N3

>  <MolWeight> (2,986)
237.2997

>  <COMPOUND_NAME> (2,986)
WAY-386516

>  <BAR_CODE_NO> (2,986)
2540785

$$$$
WAY-386518
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.1292    1.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0625    2.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3458    1.2625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6833    2.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8625    1.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.4208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042    2.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6829    3.2371    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6208    0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2458    0.1833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833   -0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4833   -0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4500    0.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208   -0.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1000    2.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4625    1.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7000    2.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8833    1.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9  7  3  0  0  0  0
 10 12  1  0  0  0  0
 11  8  1  0  0  0  0
 12 11  2  0  0  0  0
 13 10  1  0  0  0  0
 14 10  2  0  0  0  0
 15 13  1  0  0  0  0
 16  8  2  0  0  0  0
 17 14  1  0  0  0  0
 18  4  1  0  0  0  0
 19  5  1  0  0  0  0
 20 18  1  0  0  0  0
 21 19  1  0  0  0  0
  4  5  2  0  0  0  0
 20 21  1  0  0  0  0
 17 15  2  0  0  0  0
M  END
>  <Mol_ID> (2,987)
2987

>  <Formula> (2,987)
C16H14N2O2S

>  <MolWeight> (2,987)
298.35956

>  <COMPOUND_NAME> (2,987)
WAY-386518

>  <BAR_CODE_NO> (2,987)
2540783

$$$$
WAY-386521
csChFnd80/06171916322D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.6000    1.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4500    1.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1500    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8000    0.6958    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1500   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8792    2.2708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333    0.1708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958   -2.5542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3000    2.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833    3.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542   -1.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542   -2.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1625   -2.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1625   -1.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  2  0  0  0  0
  7  2  2  0  0  0  0
  8  3  2  0  0  0  0
  9  1  1  0  0  0  0
 10 14  1  0  0  0  0
 11  9  1  0  0  0  0
 12 11  2  0  0  0  0
 13  6  1  0  0  0  0
 14 13  2  0  0  0  0
 15 17  1  0  0  0  0
 16 13  1  0  0  0  0
 17 16  2  0  0  0  0
  5  4  1  0  0  0  0
 10 15  2  0  0  0  0
M  END
>  <Mol_ID> (2,988)
2988

>  <Formula> (2,988)
C12H10N2OS2

>  <MolWeight> (2,988)
262.3506

>  <COMPOUND_NAME> (2,988)
WAY-386521

>  <BAR_CODE_NO> (2,988)
2540780

$$$$
WAY-386745
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
    6.1292   -5.1167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1292   -5.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4042   -6.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4042   -4.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8417   -4.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6875   -5.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6917   -5.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4042   -7.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5542   -5.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6875   -7.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8417   -6.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9625   -8.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4042   -3.8667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9542   -9.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6792   -8.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3875   -8.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2667   -4.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6667  -10.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8417   -3.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3792   -9.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2542   -8.4042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9750   -6.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9750   -4.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6542  -10.8917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5542   -3.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2750   -3.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9875   -5.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5375   -8.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3667  -11.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2625   -5.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2625   -5.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  4  1  0  0  0  0
  8  3  2  0  0  0  0
  9  5  2  0  0  0  0
 10  8  1  0  0  0  0
 11  2  2  0  0  0  0
 12 15  2  0  0  0  0
 13  4  2  0  0  0  0
 14 12  1  0  0  0  0
 15 10  1  0  0  0  0
 16 15  1  0  0  0  0
 17  9  1  0  0  0  0
 18 20  1  0  0  0  0
 19  5  1  0  0  0  0
 20 16  2  0  0  0  0
 21 12  1  0  0  0  0
 22  6  2  0  0  0  0
 23  7  2  0  0  0  0
 24 18  1  0  0  0  0
 25 19  2  0  0  0  0
 26 25  1  0  0  0  0
 27 17  1  0  0  0  0
 28 21  1  0  0  0  0
 29 24  1  0  0  0  0
 30 31  2  0  0  0  0
 31 23  1  0  0  0  0
  3  6  1  0  0  0  0
 26 17  2  0  0  0  0
 30 22  1  0  0  0  0
 18 14  2  0  0  0  0
M  END
>  <Mol_ID> (2,989)
2989

>  <Formula> (2,989)
C24H21N3O4

>  <MolWeight> (2,989)
415.44124

>  <COMPOUND_NAME> (2,989)
WAY-386745

>  <BAR_CODE_NO> (2,989)
2540553

$$$$
WAY-386756
csChFnd80/06171916322D

 29 33  0  0  0  0  0  0  0  0999 V2000
    7.0875   -7.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6042   -6.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6042   -7.8417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8167   -7.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8167   -6.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1042   -8.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1042   -6.3542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9417   -5.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3917   -7.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3917   -6.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7667   -5.6667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9417   -8.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9125   -7.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4542   -5.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5417   -5.3917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1042   -4.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9375   -4.8250    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6792   -6.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6792   -8.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2667   -4.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7667   -8.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4542   -9.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2917   -4.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1167   -4.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9625   -6.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9625   -7.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7917  -10.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1042   -9.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6250  -10.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  2  0  0  0  0
  7  5  2  0  0  0  0
  8  2  1  0  0  0  0
  9  6  1  0  0  0  0
 10  7  1  0  0  0  0
 11  8  1  0  0  0  0
 12  3  1  0  0  0  0
 13  1  1  0  0  0  0
 14  8  2  0  0  0  0
 15 17  1  0  0  0  0
 16 11  1  0  0  0  0
 17 16  1  0  0  0  0
 18 10  2  0  0  0  0
 19  9  2  0  0  0  0
 20 15  1  0  0  0  0
 21 12  1  0  0  0  0
 22 12  2  0  0  0  0
 23 17  1  0  0  0  0
 24 23  1  0  0  0  0
 25 18  1  0  0  0  0
 26 19  1  0  0  0  0
 27 22  1  0  0  0  0
 28 21  2  0  0  0  0
 29 27  2  0  0  0  0
  4  5  1  0  0  0  0
  9 10  1  0  0  0  0
 29 28  1  0  0  0  0
 26 25  2  0  0  0  0
 24 20  1  0  0  0  0
M  END
>  <Mol_ID> (2,990)
2990

>  <Formula> (2,990)
C22H21N5O2

>  <MolWeight> (2,990)
387.43444

>  <COMPOUND_NAME> (2,990)
WAY-386756

>  <BAR_CODE_NO> (2,990)
2540549

$$$$
WAY-388258
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    4.5750   -6.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1625   -5.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8292   -5.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4917   -5.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -6.2750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.0542   -6.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1542   -4.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7250   -7.6917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6917   -5.2667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0417   -9.1917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5417   -5.0667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8792   -6.8542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4417   -3.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9042   -7.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2042   -8.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8667   -9.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5667   -8.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4417   -2.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8750   -3.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7042   -9.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8750   -2.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1542   -2.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7250   -2.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  2  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9  4  2  0  0  0  0
 10 16  1  0  0  0  0
 11  3  1  0  0  0  0
 12  6  2  0  0  0  0
 13  7  1  0  0  0  0
 14  8  1  0  0  0  0
 15  8  1  0  0  0  0
 16 15  1  0  0  0  0
 17 14  1  0  0  0  0
 18 13  2  0  0  0  0
 19  7  2  0  0  0  0
 20 10  1  0  0  0  0
 21 19  1  0  0  0  0
 22 21  2  0  0  0  0
 23 18  1  0  0  0  0
  2  4  1  0  0  0  0
 17 10  1  0  0  0  0
 18 22  1  0  0  0  0
M  END
>  <Mol_ID> (2,991)
2991

>  <Formula> (2,991)
C16H20N4OS2

>  <MolWeight> (2,991)
348.4862

>  <COMPOUND_NAME> (2,991)
WAY-388258

>  <BAR_CODE_NO> (2,991)
2540641

$$$$
WAY-388278
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   13.1917   -8.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9167   -6.1417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3417   -7.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5417   -5.1917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.9250   -6.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1250   -9.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1167   -9.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6250   -3.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1792  -11.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0500  -10.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -9.7792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2750   -9.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7250  -11.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6542  -12.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2667   -2.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0292   -2.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5000  -12.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3542   -0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1167   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7917    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  1  0  0  0  0
  9  6  2  0  0  0  0
 10 12  1  0  0  0  0
 11  6  1  0  0  0  0
 12  7  2  0  0  0  0
 13  7  1  0  0  0  0
 14 17  1  0  0  0  0
 15  8  1  0  0  0  0
 16  8  2  0  0  0  0
 17 13  2  0  0  0  0
 18 15  2  0  0  0  0
 19 16  1  0  0  0  0
 20 19  2  0  0  0  0
  2  4  1  0  0  0  0
 14 10  2  0  0  0  0
 20 18  1  0  0  0  0
M  END
>  <Mol_ID> (2,992)
2992

>  <Formula> (2,992)
C15H12N4O

>  <MolWeight> (2,992)
264.28198

>  <COMPOUND_NAME> (2,992)
WAY-388278

>  <BAR_CODE_NO> (2,992)
2540816

$$$$
WAY-388294
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
   12.1250   -6.3250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.2792   -6.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3417   -7.6417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6792   -5.6042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4167   -6.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0042   -5.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8792   -5.9250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9542   -6.8625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.1042   -5.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6625   -7.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4042   -7.6167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4417   -6.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6042   -4.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5542   -5.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9000   -6.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6417   -6.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8250   -4.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3625   -5.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0625   -3.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3417   -4.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8042   -3.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -2.7417    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.9375   -8.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1792   -8.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1625   -8.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  5  2  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  1  1  0  0  0  0
 10 16  1  0  0  0  0
 11  1  2  0  0  0  0
 12  1  2  0  0  0  0
 13  4  1  0  0  0  0
 14 13  2  0  0  0  0
 15  7  1  0  0  0  0
 16 15  2  0  0  0  0
 17  9  1  0  0  0  0
 18  9  2  0  0  0  0
 19 20  2  0  0  0  0
 20 18  1  0  0  0  0
 21 17  2  0  0  0  0
 22 19  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 15  1  0  0  0  0
 21 19  1  0  0  0  0
 10 23  2  0  0  0  0
  4  2  1  0  0  0  0
 14  8  1  0  0  0  0
M  END
>  <Mol_ID> (2,993)
2993

>  <Formula> (2,993)
C17H12FN3O2S2

>  <MolWeight> (2,993)
373.4244832

>  <COMPOUND_NAME> (2,993)
WAY-388294

>  <BAR_CODE_NO> (2,993)
2540853

$$$$
WAY-388301
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
    7.9000   -8.6000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.9292   -7.5667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8167   -7.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7167   -7.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6042   -7.0542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4167   -6.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3125   -5.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9292   -8.6417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3667   -9.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2042   -6.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4917   -7.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6042   -6.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4000   -7.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5125   -5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7167   -8.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0542   -7.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9917   -9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1042   -5.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.0667    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   13.3167   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2042   -3.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0667   -6.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1542   -7.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1042   -4.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1875   -5.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2792   -7.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2792   -5.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6 14  1  0  0  0  0
  7  6  1  0  0  0  0
  8  1  2  0  0  0  0
  9  1  2  0  0  0  0
 10  7  2  0  0  0  0
 11  5  1  0  0  0  0
 12  5  1  0  0  0  0
 13 11  1  0  0  0  0
 14 12  1  0  0  0  0
 15  4  2  0  0  0  0
 16  2  1  0  0  0  0
 17  1  1  0  0  0  0
 18 10  1  0  0  0  0
 19 18  1  0  0  0  0
 20  7  1  0  0  0  0
 21 20  2  0  0  0  0
 22 16  2  0  0  0  0
 23 16  1  0  0  0  0
 24 21  1  0  0  0  0
 25 22  1  0  0  0  0
 26 23  2  0  0  0  0
 27 26  1  0  0  0  0
 27 25  2  0  0  0  0
  6 13  1  0  0  0  0
 24 18  2  0  0  0  0
M  END
>  <Mol_ID> (2,994)
2994

>  <Formula> (2,994)
C19H22ClN3O3S

>  <MolWeight> (2,994)
407.91428

>  <COMPOUND_NAME> (2,994)
WAY-388301

>  <BAR_CODE_NO> (2,994)
2540822

$$$$
WAY-388308
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
   12.8042   -4.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5750   -4.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6167   -3.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7417   -3.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4167   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6167   -5.1042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.9542   -5.3542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8125   -6.4292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9542   -3.2250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.5792   -6.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4750   -2.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0792   -3.1917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.1917   -2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2542   -2.1167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7292   -3.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3042   -3.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1167   -4.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1292   -2.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9000   -4.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9167   -2.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0917   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4167   -2.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5375   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1125   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -1.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3417   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  1  2  0  0  0  0
  6  5  1  0  0  0  0
  7  2  2  0  0  0  0
  8  5  1  0  0  0  0
  9  2  1  0  0  0  0
 10  8  2  0  0  0  0
 11 12  1  0  0  0  0
 12 16  1  0  0  0  0
 13  3  1  0  0  0  0
 14 11  2  0  0  0  0
 15  9  1  0  0  0  0
 16 20  1  0  0  0  0
 17 15  2  0  0  0  0
 18 15  1  0  0  0  0
 19 17  1  0  0  0  0
 20 18  2  0  0  0  0
 21 11  1  0  0  0  0
 22 13  1  0  0  0  0
 23 13  2  0  0  0  0
 24 23  1  0  0  0  0
 25 22  2  0  0  0  0
 26 24  2  0  0  0  0
  6  4  1  0  0  0  0
 10  7  1  0  0  0  0
 26 25  1  0  0  0  0
 16 19  2  0  0  0  0
M  END
>  <Mol_ID> (2,995)
2995

>  <Formula> (2,995)
C20H15N3OS2

>  <MolWeight> (2,995)
377.4826

>  <COMPOUND_NAME> (2,995)
WAY-388308

>  <BAR_CODE_NO> (2,995)
2540855

$$$$
WAY-388333
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
   11.2292   -7.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2250   -6.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2375   -8.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2500   -8.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2042   -6.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2667   -8.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1875   -6.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2250   -6.7167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2250   -6.2792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3042   -5.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -5.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4250   -4.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2667   -9.7167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2000   -6.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2792   -8.5792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2667   -8.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2917   -8.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2167   -8.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2375   -9.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2917   -6.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3125   -8.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2250   -9.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2292  -10.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3250   -8.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3125   -6.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3250   -6.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7 14  1  0  0  0  0
  8  7  1  0  0  0  0
  9  2  2  0  0  0  0
 10  7  2  0  0  0  0
 11  8  1  0  0  0  0
 12 10  1  0  0  0  0
 13  6  2  0  0  0  0
 14  5  1  0  0  0  0
 15 16  1  0  0  0  0
 16  6  1  0  0  0  0
 17 15  1  0  0  0  0
 18  1  2  0  0  0  0
 19  3  2  0  0  0  0
 20 17  2  0  0  0  0
 21 17  1  0  0  0  0
 22 18  1  0  0  0  0
 23 22  2  0  0  0  0
 24 21  2  0  0  0  0
 25 20  1  0  0  0  0
 26 24  1  0  0  0  0
 23 19  1  0  0  0  0
 12 11  2  0  0  0  0
 26 25  2  0  0  0  0
M  END
>  <Mol_ID> (2,996)
2996

>  <Formula> (2,996)
C20H18N2O4

>  <MolWeight> (2,996)
350.36792

>  <COMPOUND_NAME> (2,996)
WAY-388333

>  <BAR_CODE_NO> (2,996)
2540879

$$$$
WAY-388345
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
    7.1792   -3.9667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0750   -3.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5000   -1.8667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3000   -3.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8667   -1.8667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6000   -3.5917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.9167   -3.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7792   -3.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9375   -2.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6167   -2.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1875   -4.4292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2125   -4.4375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1917   -5.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2375   -2.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6417   -0.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9750   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6667    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2542   -1.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000    0.5708    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2125   -5.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750   -3.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5042   -4.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7667   -2.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0042   -6.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0042   -7.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  4  1  0  0  0  0
  7 10  1  0  0  0  0
  8  2  1  0  0  0  0
  9  7  1  0  0  0  0
 10  6  1  0  0  0  0
 11 21  2  0  0  0  0
 12  7  2  0  0  0  0
 13  1  1  0  0  0  0
 14  9  2  0  0  0  0
 15  9  1  0  0  0  0
 16 17  1  0  0  0  0
 17 15  2  0  0  0  0
 18 14  1  0  0  0  0
 19 16  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22  8  1  0  0  0  0
 23  8  2  0  0  0  0
 24 13  1  0  0  0  0
 25 24  1  0  0  0  0
  5  3  1  0  0  0  0
 11 20  1  0  0  0  0
 18 16  2  0  0  0  0
M  END
>  <Mol_ID> (2,997)
2997

>  <Formula> (2,997)
C18H17ClN4OS

>  <MolWeight> (2,997)
372.87178

>  <COMPOUND_NAME> (2,997)
WAY-388345

>  <BAR_CODE_NO> (2,997)
2540890

$$$$
WAY-388362
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    9.3792   -5.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6875   -4.5250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4917   -6.0875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5292   -4.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6417   -6.4792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5917   -5.5417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1792   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3875   -6.6125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5542   -7.6375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5667   -4.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9792   -7.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1875   -7.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7792   -8.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.7792    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.9417   -9.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3542   -8.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4500   -4.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7250   -2.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1500   -9.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4792   -3.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7625   -2.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6417   -2.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  5  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  7  2  0  0  0  0
 10  4  1  0  0  0  0
 11  8  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 16  1  0  0  0  0
 16 11  2  0  0  0  0
 17 10  2  0  0  0  0
 18 10  1  0  0  0  0
 19 15  2  0  0  0  0
 20 17  1  0  0  0  0
 21 18  2  0  0  0  0
 22 21  1  0  0  0  0
  3  4  2  0  0  0  0
 20 22  2  0  0  0  0
 19 13  1  0  0  0  0
M  END
>  <Mol_ID> (2,998)
2998

>  <Formula> (2,998)
C15H11ClN4O2

>  <MolWeight> (2,998)
314.72644

>  <COMPOUND_NAME> (2,998)
WAY-388362

>  <BAR_CODE_NO> (2,998)
2540909

$$$$
WAY-388364
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    8.3417   -0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4375   -1.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8417   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7417    0.6375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3042    1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9917    0.0333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8917   -1.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5500   -1.2917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4542   -2.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5625   -2.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1375   -2.8417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1042   -2.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8167   -3.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0167   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9875   -4.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8792   -1.1292    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.7292   -2.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5250   -4.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   -5.1667    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.6917   -4.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5917   -5.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2417   -5.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  3  1  0  0  0  0
 11  7  2  0  0  0  0
 12  9  2  0  0  0  0
 13 10  1  0  0  0  0
 14 10  2  0  0  0  0
 15 17  2  0  0  0  0
 16 12  1  0  0  0  0
 17 14  1  0  0  0  0
 18 13  2  0  0  0  0
 19 15  1  0  0  0  0
 20  9  1  0  0  0  0
 21 12  1  0  0  0  0
 22 20  2  0  0  0  0
 23 22  1  0  0  0  0
  4  3  2  0  0  0  0
 18 15  1  0  0  0  0
 21 23  2  0  0  0  0
M  END
>  <Mol_ID> (2,999)
2999

>  <Formula> (2,999)
C15H10Cl2N4O2

>  <MolWeight> (2,999)
349.1715

>  <COMPOUND_NAME> (2,999)
WAY-388364

>  <BAR_CODE_NO> (2,999)
2540911

$$$$
WAY-388376
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   11.2792   -6.2792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7292   -4.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9167   -6.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6250   -4.1792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5250   -4.9625    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.0542   -7.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4292   -7.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2167   -8.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5750   -8.4042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2750   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0292   -4.5750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0542   -7.3292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7792   -9.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9917   -6.0375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -9.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8792  -10.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6625   -3.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6625   -6.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2875   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8125   -4.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4375   -3.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4250   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5750   -4.9167    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.1250   -3.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  5  1  0  0  0  0
 11  2  2  0  0  0  0
 12  3  2  0  0  0  0
 13  8  2  0  0  0  0
 14  7  2  0  0  0  0
 15  9  1  0  0  0  0
 16 13  1  0  0  0  0
 17 10  2  0  0  0  0
 18 10  1  0  0  0  0
 19  5  1  0  0  0  0
 20 22  1  0  0  0  0
 21 17  1  0  0  0  0
 22 18  2  0  0  0  0
 23 20  1  0  0  0  0
 24 19  1  0  0  0  0
  4  5  1  0  0  0  0
 15 16  2  0  0  0  0
 21 20  2  0  0  0  0
M  END
>  <Mol_ID> (3,000)
3000

>  <Formula> (3,000)
C17H16FN3O3

>  <MolWeight> (3,000)
329.3256432

>  <COMPOUND_NAME> (3,000)
WAY-388376

>  <BAR_CODE_NO> (3,000)
2540921

$$$$
WAY-388392
csChFnd80/06171916322D

 19 20  0  0  0  0  0  0  0  0999 V2000
    5.3000   -3.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1625   -2.4667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2042   -5.5250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3917   -4.9625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542   -3.0792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0750   -7.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0792   -7.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9875   -9.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2125   -3.9625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.9917   -9.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9125  -11.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1417   -5.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9042  -11.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1500   -5.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2292   -4.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7292   -0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9875   -9.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -9.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8250  -12.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6 12  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
  9  1  1  0  0  0  0
 10  7  1  0  0  0  0
 11  8  2  0  0  0  0
 12 14  1  0  0  0  0
 13 11  1  0  0  0  0
 14  9  1  0  0  0  0
 15 12  2  0  0  0  0
 16  2  1  0  0  0  0
 17  8  1  0  0  0  0
 18 10  1  0  0  0  0
 19 13  1  0  0  0  0
  5  4  2  0  0  0  0
 10 13  2  0  0  0  0
M  END
>  <Mol_ID> (3,001)
3001

>  <Formula> (3,001)
C13H16N4OS

>  <MolWeight> (3,001)
276.35734

>  <COMPOUND_NAME> (3,001)
WAY-388392

>  <BAR_CODE_NO> (3,001)
2540947

$$$$
WAY-388398
csChFnd80/06171916322D

 21 22  0  0  0  0  0  0  0  0999 V2000
    9.6542   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8167   -6.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6417   -5.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7917   -3.3667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6417   -3.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7125   -4.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7292   -3.2917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.2250   -7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000   -3.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7542   -6.6417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0500   -8.9375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1542   -4.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292   -1.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9917   -1.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0167   -4.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -3.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2417   -8.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1917   -2.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542   -6.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  3  1  0  0  0  0
  9  7  1  0  0  0  0
 10  6  2  0  0  0  0
 11  8  2  0  0  0  0
 12 15  2  0  0  0  0
 13 14  1  0  0  0  0
 14  9  2  0  0  0  0
 15  9  1  0  0  0  0
 16 12  1  0  0  0  0
 17  2  1  0  0  0  0
 18  5  1  0  0  0  0
 19  8  1  0  0  0  0
 20 13  1  0  0  0  0
 21 12  1  0  0  0  0
  3  5  2  0  0  0  0
 13 16  2  0  0  0  0
M  END
>  <Mol_ID> (3,002)
3002

>  <Formula> (3,002)
C17H20N2O2

>  <MolWeight> (3,002)
284.3529

>  <COMPOUND_NAME> (3,002)
WAY-388398

>  <BAR_CODE_NO> (3,002)
2540952

$$$$
WAY-388401
csChFnd80/06171916322D

 28 29  0  0  0  0  0  0  0  0999 V2000
    6.4167   -4.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3542   -3.3292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.9875   -5.0167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7500   -6.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2792   -6.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5542   -3.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3792   -5.7375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0625   -7.7667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2417   -9.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3000   -6.4000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.0000  -10.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2667  -14.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9417   -7.7250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5125  -13.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6875   -9.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542   -3.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.5542  -10.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1917  -11.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3167  -11.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9542  -13.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6500   -5.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6542  -13.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0250  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8792  -15.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1667   -1.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0000   -6.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6292   -4.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042   -1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  1  2  0  0  0  0
  6  2  1  0  0  0  0
  7  5  1  0  0  0  0
  8 10  1  0  0  0  0
  9  8  1  0  0  0  0
 10  4  1  0  0  0  0
 11  9  1  0  0  0  0
 12 14  1  0  0  0  0
 13  4  2  0  0  0  0
 14 20  1  0  0  0  0
 15  9  2  0  0  0  0
 16  6  1  0  0  0  0
 17 11  2  0  0  0  0
 18 11  1  0  0  0  0
 19 17  1  0  0  0  0
 20 18  2  0  0  0  0
 21 10  1  0  0  0  0
 22 12  1  0  0  0  0
 23 12  1  0  0  0  0
 24 12  1  0  0  0  0
 25 16  1  0  0  0  0
 26 21  1  0  0  0  0
 27 21  1  0  0  0  0
 28 25  1  0  0  0  0
  6  7  2  0  0  0  0
 14 19  2  0  0  0  0
M  END
>  <Mol_ID> (3,003)
3003

>  <Formula> (3,003)
C20H28N4O2S2

>  <MolWeight> (3,003)
420.59192

>  <COMPOUND_NAME> (3,003)
WAY-388401

>  <BAR_CODE_NO> (3,003)
2540949

$$$$
WAY-388431
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
   13.4875   -7.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0042   -8.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9125   -8.6042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8875   -9.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.6542   -7.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3542   -4.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6667   -5.1917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6667   -3.2875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9000   -6.3042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5500   -3.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5500   -4.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8417   -8.6667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3125   -5.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5292   -3.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0542  -10.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5375   -4.2542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.9000   -4.2542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5292   -5.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -9.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5042   -3.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1167   -5.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4417   -6.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5042   -4.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4750   -3.0625    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   13.1292  -11.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1292  -10.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3042  -11.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3042  -12.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4042  -12.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  5  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  2  0  0  0  0
  6 16  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
  9  1  1  0  0  0  0
 10  8  1  0  0  0  0
 11  7  1  0  0  0  0
 12  2  2  0  0  0  0
 13  9  1  0  0  0  0
 14 10  1  0  0  0  0
 15  4  1  0  0  0  0
 16 21  1  0  0  0  0
 17 13  2  0  0  0  0
 18 11  1  0  0  0  0
 19  3  1  0  0  0  0
 20 14  2  0  0  0  0
 21 13  1  0  0  0  0
 22  5  1  0  0  0  0
 23 18  2  0  0  0  0
 24 20  1  0  0  0  0
 25 15  2  0  0  0  0
 26 15  1  0  0  0  0
 27 26  2  0  0  0  0
 28 25  1  0  0  0  0
 29 27  1  0  0  0  0
  3  4  1  0  0  0  0
 28 29  2  0  0  0  0
 10 11  2  0  0  0  0
 20 23  1  0  0  0  0
M  END
>  <Mol_ID> (3,004)
3004

>  <Formula> (3,004)
C20H18ClN5O2S

>  <MolWeight> (3,004)
427.90722

>  <COMPOUND_NAME> (3,004)
WAY-388431

>  <BAR_CODE_NO> (3,004)
2540976

$$$$
WAY-388451
csChFnd80/06171916322D

 30 32  0  0  0  0  0  0  0  0999 V2000
    7.2375   -6.2250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.6667   -5.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8000   -7.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1792   -9.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1792   -5.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3167   -6.8625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9000   -7.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5917   -8.0875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.1625  -10.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4667   -8.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6042  -11.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5667   -9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4417  -10.4042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4875   -9.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9500   -9.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4625  -11.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9292  -10.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2917  -10.8167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1875  -12.8042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2000   -4.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5792   -5.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2667   -8.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8417   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9500   -9.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -9.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6125  -12.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7750   -3.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7625   -4.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8167   -3.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7167   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  8  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  2  0  0  0  0
  7  3  2  0  0  0  0
  8 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10  7  1  0  0  0  0
 11 16  1  0  0  0  0
 12 14  2  0  0  0  0
 13  4  2  0  0  0  0
 14 15  1  0  0  0  0
 15  4  1  0  0  0  0
 16 17  2  0  0  0  0
 17 14  1  0  0  0  0
 18  9  1  0  0  0  0
 19 11  1  0  0  0  0
 20  2  1  0  0  0  0
 21  2  1  0  0  0  0
 22  3  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 25 18  1  0  0  0  0
 26 19  1  0  0  0  0
 27 20  1  0  0  0  0
 28 21  1  0  0  0  0
 29 28  1  0  0  0  0
 30 27  1  0  0  0  0
 24 10  2  0  0  0  0
 30 29  1  0  0  0  0
 11  9  2  0  0  0  0
M  END
>  <Mol_ID> (3,005)
3005

>  <Formula> (3,005)
C22H28N2O5S

>  <MolWeight> (3,005)
432.53312

>  <COMPOUND_NAME> (3,005)
WAY-388451

>  <BAR_CODE_NO> (3,005)
2541005

$$$$
WAY-388456
csChFnd80/06171916322D

 28 30  0  0  0  0  0  0  0  0999 V2000
   11.2292   -5.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0125   -4.0167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0250   -2.7042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.6000   -3.9917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.4042   -5.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0417   -6.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6292   -6.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6375   -5.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5917   -2.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333   -1.0875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208   -4.3292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -5.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6458   -2.7167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8667   -6.8042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8167   -4.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4167   -4.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792   -1.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3917   -2.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9750   -1.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0125   -4.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7917   -2.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2667   -8.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4417   -8.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2250   -4.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4042   -2.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9875   -2.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0750   -9.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6667   -9.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  9  1  0  0  0  0
  4  2  1  0  0  0  0
  5  7  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  1  1  0  0  0  0
  9 16  2  0  0  0  0
 10  3  2  0  0  0  0
 11  3  2  0  0  0  0
 12  5  2  0  0  0  0
 13  3  1  0  0  0  0
 14  8  2  0  0  0  0
 15  8  1  0  0  0  0
 16 20  1  0  0  0  0
 17 19  2  0  0  0  0
 18  4  1  0  0  0  0
 19 21  1  0  0  0  0
 20 21  2  0  0  0  0
 21 25  1  0  0  0  0
 22  6  2  0  0  0  0
 23  7  2  0  0  0  0
 24 15  1  0  0  0  0
 25 24  1  0  0  0  0
 26 18  1  0  0  0  0
 27 22  1  0  0  0  0
 28 27  2  0  0  0  0
  5  4  1  0  0  0  0
 23 28  1  0  0  0  0
 17  9  1  0  0  0  0
M  END
>  <Mol_ID> (3,006)
3006

>  <Formula> (3,006)
C19H20N4O4S

>  <MolWeight> (3,006)
400.4515

>  <COMPOUND_NAME> (3,006)
WAY-388456

>  <BAR_CODE_NO> (3,006)
2541000

$$$$
WAY-388500
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
   13.2292   -7.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2500   -6.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1417   -8.4292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.0667   -6.8625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.0625   -7.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1667   -6.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2292   -8.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2542   -6.4917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0750   -4.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4625   -3.8125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4417   -4.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6167   -7.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5292   -3.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1292   -4.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4542   -5.5167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.4417   -5.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6625   -5.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6125   -4.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7250   -5.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9917   -8.4417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1792   -5.2625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6917   -3.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5292   -2.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1375   -6.4792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1250   -9.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6917   -2.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6167   -5.2000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.6125   -2.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7792   -2.0125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9 14  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12  7  2  0  0  0  0
 13 11  1  0  0  0  0
 14 17  1  0  0  0  0
 15  9  1  0  0  0  0
 16 15  1  0  0  0  0
 17 19  1  0  0  0  0
 18 13  1  0  0  0  0
 19  8  1  0  0  0  0
 20  5  2  0  0  0  0
 21  6  2  0  0  0  0
 22 18  2  0  0  0  0
 23 13  2  0  0  0  0
 24 17  2  0  0  0  0
 25  3  1  0  0  0  0
 26  4  1  0  0  0  0
 27 29  2  0  0  0  0
 28 18  1  0  0  0  0
 29 23  1  0  0  0  0
 30 27  1  0  0  0  0
 12  8  1  0  0  0  0
  6  4  1  0  0  0  0
 11 16  2  0  0  0  0
 22 27  1  0  0  0  0
M  END
>  <Mol_ID> (3,007)
3007

>  <Formula> (3,007)
C18H14Cl2N6O3S

>  <MolWeight> (3,007)
465.31316

>  <COMPOUND_NAME> (3,007)
WAY-388500

>  <BAR_CODE_NO> (3,007)
2541048

$$$$
WAY-388514
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
    8.5875   -4.3292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0792   -6.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5542   -4.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2667   -5.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6000   -5.0667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6000   -5.8125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6792   -6.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6625   -6.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.7042   -5.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.7792   -6.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3792   -5.1625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.9667   -6.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3000   -5.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6125   -4.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1667   -7.9792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8917   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9792   -2.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6292   -3.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6417   -4.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2875   -1.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7250   -3.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3875   -7.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7042   -4.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6792   -2.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7667   -2.4500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   15.4042   -5.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4875   -7.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 12  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  2  0  0  0  0
  7  2  1  0  0  0  0
  8  4  2  0  0  0  0
  9  5  2  0  0  0  0
 10  7  1  0  0  0  0
 11  4  1  0  0  0  0
 12 11  1  0  0  0  0
 13 10  1  0  0  0  0
 14  3  1  0  0  0  0
 15  7  2  0  0  0  0
 16  1  1  0  0  0  0
 17 16  1  0  0  0  0
 18 14  2  0  0  0  0
 19 14  1  0  0  0  0
 20 17  2  0  0  0  0
 21 23  1  0  0  0  0
 22 10  2  0  0  0  0
 23 19  2  0  0  0  0
 24 18  1  0  0  0  0
 25 21  1  0  0  0  0
 26 13  2  0  0  0  0
 27 22  1  0  0  0  0
 28 27  2  0  0  0  0
  6  8  1  0  0  0  0
 24 21  2  0  0  0  0
 13  9  1  0  0  0  0
 26 28  1  0  0  0  0
M  END
>  <Mol_ID> (3,008)
3008

>  <Formula> (3,008)
C19H15ClN6OS

>  <MolWeight> (3,008)
410.88

>  <COMPOUND_NAME> (3,008)
WAY-388514

>  <BAR_CODE_NO> (3,008)
2541063

$$$$
WAY-388518
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
   12.5542  -12.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7417  -12.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8792  -11.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.8000  -13.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2917  -11.1250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4917  -10.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8542  -10.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7292  -11.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8167  -11.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5292  -11.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9667  -13.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -12.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8167   -8.8917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4542  -11.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4917  -12.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8542  -12.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6542  -14.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4542   -8.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7750  -10.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  2  1  0  0  0  0
  6  7  1  0  0  0  0
  7 10  2  0  0  0  0
  8  5  1  0  0  0  0
  9 15  1  0  0  0  0
 10  3  1  0  0  0  0
 11  1  2  0  0  0  0
 12  4  1  0  0  0  0
 13  6  1  0  0  0  0
 14  9  1  0  0  0  0
 15 16  2  0  0  0  0
 16 10  1  0  0  0  0
 17  4  1  0  0  0  0
 18 13  1  0  0  0  0
 19 14  1  0  0  0  0
 12  8  2  0  0  0  0
  9  6  2  0  0  0  0
 19 18  1  0  0  0  0
M  END
>  <Mol_ID> (3,009)
3009

>  <Formula> (3,009)
C14H13NO3S

>  <MolWeight> (3,009)
275.32292

>  <COMPOUND_NAME> (3,009)
WAY-388518

>  <BAR_CODE_NO> (3,009)
2541069

$$$$
WAY-388542
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -1.0137   -2.0587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6792   -2.4587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3240   -2.4553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0137   -1.2587    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6896   -3.2553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3620   -2.0725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3240   -3.2553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2896   -0.8553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0137   -3.6553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3620   -1.3104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3587   -3.6449    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3240    0.0930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5208   -1.3104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3587   -4.4070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4518    0.5896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5242    1.5068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3760    1.9275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2620    2.0413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4587    2.8758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1758    2.9896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6863    3.4068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3104    3.2654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7760    4.3447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3863    4.2137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6242    4.7447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  2  0  0  0  0
  7  9  1  0  0  0  0
 20 21  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (3,010)
3010

>  <Formula> (3,010)
C20H19NO4

>  <MolWeight> (3,010)
337.36916

>  <COMPOUND_NAME> (3,010)
WAY-388542

>  <BAR_CODE_NO> (3,010)
2541091

$$$$
WAY-388578
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
    2.7667   -0.4417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3167    0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042   -0.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0917    0.7083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9042    0.8833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1375    0.0833    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.3042   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6167    0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4750   -0.6667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4417    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042   -1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5875   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7792   -0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9250    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5875   -1.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1250   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7417    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5917   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1250   -1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0792    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  2  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  6  1  0  0  0  0
  9  6  1  0  0  0  0
 10  8  1  0  0  0  0
 11  7  1  0  0  0  0
 12  7  2  0  0  0  0
 13 10  2  0  0  0  0
 14 10  1  0  0  0  0
 15 11  2  0  0  0  0
 16 12  1  0  0  0  0
 17 14  2  0  0  0  0
 18 13  1  0  0  0  0
 19 16  2  0  0  0  0
 20 17  1  0  0  0  0
  4  5  1  0  0  0  0
 15 19  1  0  0  0  0
 20 18  2  0  0  0  0
M  END
>  <Mol_ID> (3,011)
3011

>  <Formula> (3,011)
C16H15N3O

>  <MolWeight> (3,011)
265.3098

>  <COMPOUND_NAME> (3,011)
WAY-388578

>  <BAR_CODE_NO> (3,011)
2541133

$$$$
WAY-388584
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    4.4167   -1.0250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4167   -1.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7000   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6917   -2.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9875   -1.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9792   -1.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292   -2.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542   -2.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1375   -0.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5417   -1.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7000    0.2208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1292   -2.2750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5500   -1.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292   -3.0917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6042   -0.6917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8500   -1.0292    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.1167   -1.8542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1542   -1.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167   -1.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9292   -1.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7375   -2.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  2  0  0  0  0
  7 11  1  0  0  0  0
  8  6  1  0  0  0  0
  9  5  1  0  0  0  0
 10  1  1  0  0  0  0
 11 14  1  0  0  0  0
 12  3  2  0  0  0  0
 13  2  1  0  0  0  0
 14  9  2  0  0  0  0
 15  7  2  0  0  0  0
 16 17  1  0  0  0  0
 17 10  1  0  0  0  0
 18  7  1  0  0  0  0
 19 16  1  0  0  0  0
 20 18  1  0  0  0  0
 21 17  1  0  0  0  0
 22 21  1  0  0  0  0
  6  4  1  0  0  0  0
 22 19  1  0  0  0  0
  8 11  2  0  0  0  0
M  END
>  <Mol_ID> (3,012)
3012

>  <Formula> (3,012)
C15H16N2O4S

>  <MolWeight> (3,012)
320.36354

>  <COMPOUND_NAME> (3,012)
WAY-388584

>  <BAR_CODE_NO> (3,012)
2541148

$$$$
WAY-388585
csChFnd80/06171916322D

 30 34  0  0  0  0  0  0  0  0999 V2000
    8.3292   -4.1292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2292   -4.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5125   -7.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2250   -5.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0042   -5.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3167   -6.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.7292   -9.0500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.9542   -8.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6875   -7.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9000   -6.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2875   -8.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5667   -9.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1625   -5.0667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.2667   -3.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7375   -6.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4542   -5.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6875   -3.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8042   -8.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2375   -6.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0042  -10.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4375   -7.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2292   -4.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3542   -2.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3917   -5.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2542   -9.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8542  -10.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4000   -2.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2667   -3.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3417   -2.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3 10  1  0  0  0  0
  4  2  2  0  0  0  0
  5  1  1  0  0  0  0
  6  5  2  0  0  0  0
  7 11  1  0  0  0  0
  8  3  1  0  0  0  0
  9  3  1  0  0  0  0
 10 15  1  0  0  0  0
 11  9  2  0  0  0  0
 12  8  1  0  0  0  0
 13  5  1  0  0  0  0
 14  2  1  0  0  0  0
 15 13  1  0  0  0  0
 16 10  2  0  0  0  0
 17  1  1  0  0  0  0
 18  8  2  0  0  0  0
 19  9  1  0  0  0  0
 20 12  2  0  0  0  0
 21 11  1  0  0  0  0
 22 14  2  0  0  0  0
 23 14  1  0  0  0  0
 24 19  2  0  0  0  0
 25 18  1  0  0  0  0
 26 24  1  0  0  0  0
 27 25  2  0  0  0  0
 28 23  2  0  0  0  0
 29 22  1  0  0  0  0
 30 28  1  0  0  0  0
  6  4  1  0  0  0  0
 29 30  2  0  0  0  0
 12  7  1  0  0  0  0
 26 21  2  0  0  0  0
 20 27  1  0  0  0  0
M  END
>  <Mol_ID> (3,013)
3013

>  <Formula> (3,013)
C23H18N4OS2

>  <MolWeight> (3,013)
430.54522

>  <COMPOUND_NAME> (3,013)
WAY-388585

>  <BAR_CODE_NO> (3,013)
2541137

$$$$
WAY-388589
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    4.3792   -2.6042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5750   -2.4250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.7000   -3.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0125   -2.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5167   -3.3042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.2542   -4.0792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7125   -2.4917    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7542   -1.6167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3917   -3.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7667   -2.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9375   -1.2417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6417   -4.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4792   -2.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042   -2.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5250   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2042   -5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4667   -4.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7167   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4042   -2.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8542   -5.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5917   -6.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1625   -1.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4167   -6.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  3  2  0  0  0  0
  7  4  1  0  0  0  0
  8  2  2  0  0  0  0
  9  2  2  0  0  0  0
 10  2  1  0  0  0  0
 11  4  2  0  0  0  0
 12  6  1  0  0  0  0
 13  7  1  0  0  0  0
 14 10  1  0  0  0  0
 15 10  2  0  0  0  0
 16 12  2  0  0  0  0
 17 12  1  0  0  0  0
 18 15  1  0  0  0  0
 19 14  2  0  0  0  0
 20 17  2  0  0  0  0
 21 16  1  0  0  0  0
 22 18  2  0  0  0  0
 23 20  1  0  0  0  0
  5  7  1  0  0  0  0
 19 22  1  0  0  0  0
 21 23  2  0  0  0  0
M  END
>  <Mol_ID> (3,014)
3014

>  <Formula> (3,014)
C16H14N2O3S2

>  <MolWeight> (3,014)
346.42396

>  <COMPOUND_NAME> (3,014)
WAY-388589

>  <BAR_CODE_NO> (3,014)
2541159

$$$$
WAY-388626
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
    8.5375   -2.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5542   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0042   -3.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9750   -1.6250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5792   -3.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1917   -2.3875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0167   -3.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0500    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5875   -0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5167   -5.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6792   -3.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2042   -5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1625   -5.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6792   -4.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3500   -5.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9917   -3.7542    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.7125   -6.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6667    0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1250   -1.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5500   -8.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2792    1.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1917   -8.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042    1.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  5  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  2  2  0  0  0  0
  9  4  1  0  0  0  0
 10 11  1  0  0  0  0
 11  7  1  0  0  0  0
 12  7  2  0  0  0  0
 13 10  2  0  0  0  0
 14  3  1  0  0  0  0
 15  5  1  0  0  0  0
 16 13  1  0  0  0  0
 17 10  1  0  0  0  0
 18  9  2  0  0  0  0
 19  9  1  0  0  0  0
 20 13  1  0  0  0  0
 21 17  2  0  0  0  0
 22 19  2  0  0  0  0
 23 18  1  0  0  0  0
 24 21  1  0  0  0  0
 25 22  1  0  0  0  0
  3  4  1  0  0  0  0
 23 25  2  0  0  0  0
 20 24  2  0  0  0  0
M  END
>  <Mol_ID> (3,015)
3015

>  <Formula> (3,015)
C19H18FN3O2

>  <MolWeight> (3,015)
339.3635232

>  <COMPOUND_NAME> (3,015)
WAY-388626

>  <BAR_CODE_NO> (3,015)
2541174

$$$$
WAY-388641
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
    5.3417   -4.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8375   -5.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3625   -6.2792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5625   -5.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5667   -6.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5917   -4.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4042   -3.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6292   -5.8167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0292   -3.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6417   -3.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4500   -2.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8417   -4.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6625   -2.1917    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.8500   -6.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9542   -4.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7667   -4.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0167   -3.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1250   -5.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1292   -6.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  2  1  0  0  0  0
  9  6  2  0  0  0  0
 10  7  1  0  0  0  0
 11 10  2  0  0  0  0
 12  4  1  0  0  0  0
 13 11  1  0  0  0  0
 14  5  1  0  0  0  0
 15  7  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 12  1  0  0  0  0
 19 18  1  0  0  0  0
  3  5  1  0  0  0  0
 14 19  1  0  0  0  0
 17 11  1  0  0  0  0
M  END
>  <Mol_ID> (3,016)
3016

>  <Formula> (3,016)
C15H14FNOS

>  <MolWeight> (3,016)
275.3411632

>  <COMPOUND_NAME> (3,016)
WAY-388641

>  <BAR_CODE_NO> (3,016)
2541197

$$$$
WAY-388675
csChFnd80/06171916322D

 30 32  0  0  0  0  0  0  0  0999 V2000
   10.7792   -5.7917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1667   -4.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5167   -5.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1625   -3.8542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1375   -4.5917    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.5125   -6.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7542   -6.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8875   -4.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3750   -4.2125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7542   -6.8167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2542  -11.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5167   -7.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7542  -10.7625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2792   -5.5417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0000  -12.0667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2625   -5.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2625   -3.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7667   -7.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0167   -8.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0125   -9.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7500   -3.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3875   -4.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7542   -9.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5167   -8.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0042   -3.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0125   -5.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1167   -4.6167    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -12.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6000   -2.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4917  -14.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  5  1  0  0  0  0
  9  2  2  0  0  0  0
 10  3  2  0  0  0  0
 11 13  1  0  0  0  0
 12  7  1  0  0  0  0
 13 20  1  0  0  0  0
 14  7  2  0  0  0  0
 15 11  2  0  0  0  0
 16  8  1  0  0  0  0
 17  8  2  0  0  0  0
 18 12  1  0  0  0  0
 19 12  2  0  0  0  0
 20 23  2  0  0  0  0
 21  5  1  0  0  0  0
 22 25  2  0  0  0  0
 23 19  1  0  0  0  0
 24 18  2  0  0  0  0
 25 17  1  0  0  0  0
 26 16  2  0  0  0  0
 27 22  1  0  0  0  0
 28 11  1  0  0  0  0
 29 21  1  0  0  0  0
 30 28  1  0  0  0  0
  5  4  1  0  0  0  0
 20 24  1  0  0  0  0
 22 26  1  0  0  0  0
M  END
>  <Mol_ID> (3,017)
3017

>  <Formula> (3,017)
C22H22ClN3O4

>  <MolWeight> (3,017)
427.88078

>  <COMPOUND_NAME> (3,017)
WAY-388675

>  <BAR_CODE_NO> (3,017)
2541221

$$$$
WAY-388686
csChFnd80/06171916322D

 18 20  0  0  0  0  0  0  0  0999 V2000
   10.8000   -9.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1417  -10.4417    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.0292  -10.4500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8042  -10.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1250   -9.3167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.2792   -9.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3042  -11.0917    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.7417  -10.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9917   -8.2792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.7250   -8.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1417  -11.6292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5917  -10.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -12.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4375  -10.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6125  -12.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4542  -12.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2917  -10.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2875  -12.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  2  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  2  1  0  0  0  0
  8  3  1  0  0  0  0
  9  1  1  0  0  0  0
 10  9  1  0  0  0  0
 11  4  2  0  0  0  0
 12  8  1  0  0  0  0
 13  7  1  0  0  0  0
 14 12  2  0  0  0  0
 15 12  1  0  0  0  0
 16 15  2  0  0  0  0
 17 14  1  0  0  0  0
 18 16  1  0  0  0  0
  8 10  2  0  0  0  0
  6  7  1  0  0  0  0
 18 17  2  0  0  0  0
M  END
>  <Mol_ID> (3,018)
3018

>  <Formula> (3,018)
C14H14N2OS

>  <MolWeight> (3,018)
258.33876

>  <COMPOUND_NAME> (3,018)
WAY-388686

>  <BAR_CODE_NO> (3,018)
2541247

$$$$
WAY-388713
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
    9.2875   -7.0625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.2417  -12.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5375  -12.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0292   -8.3292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4917  -10.8292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.7000  -13.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1250  -10.6875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.5167   -5.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0042   -7.7917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5667   -6.3667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4500   -8.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2542   -9.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6917  -10.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0167  -10.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2167   -9.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6167  -13.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -12.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2542   -4.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0542   -5.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0542   -3.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3125   -4.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5167   -3.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3042   -1.9750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5625  -14.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0292   -0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2917    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5 14  1  0  0  0  0
  6  3  2  0  0  0  0
  7  3  1  0  0  0  0
  8  1  1  0  0  0  0
  9  1  2  0  0  0  0
 10  1  2  0  0  0  0
 11  4  1  0  0  0  0
 12  4  1  0  0  0  0
 13  7  1  0  0  0  0
 14 12  1  0  0  0  0
 15 11  1  0  0  0  0
 16  2  2  0  0  0  0
 17  6  1  0  0  0  0
 18  8  2  0  0  0  0
 19  8  1  0  0  0  0
 20 21  1  0  0  0  0
 21 19  2  0  0  0  0
 22 18  1  0  0  0  0
 23 20  1  0  0  0  0
 24  6  1  0  0  0  0
 25 23  1  0  0  0  0
 26 25  1  0  0  0  0
 20 22  2  0  0  0  0
 15  5  1  0  0  0  0
 17 13  2  0  0  0  0
M  END
>  <Mol_ID> (3,019)
3019

>  <Formula> (3,019)
C18H22N2O4S2

>  <MolWeight> (3,019)
394.50828

>  <COMPOUND_NAME> (3,019)
WAY-388713

>  <BAR_CODE_NO> (3,019)
2541266

$$$$
WAY-388720
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   12.0292  -10.2250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.6667  -11.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3792   -9.0667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4875   -4.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1917   -9.5750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8667  -10.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9625  -12.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1292   -5.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5792  -13.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1667   -3.2667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0042  -11.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9042  -13.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6125  -12.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4417   -6.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4500   -5.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0542   -9.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1542   -4.3667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4042   -7.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0792   -7.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0792   -6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8625  -14.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5125  -14.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4667  -15.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8042  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  8  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  2  0  0  0  0
  7  2  2  0  0  0  0
  8 15  1  0  0  0  0
  9  7  1  0  0  0  0
 10  4  2  0  0  0  0
 11  2  1  0  0  0  0
 12 13  1  0  0  0  0
 13 11  2  0  0  0  0
 14 19  1  0  0  0  0
 15 20  2  0  0  0  0
 16  3  1  0  0  0  0
 17  4  1  0  0  0  0
 18 16  1  0  0  0  0
 19 18  2  0  0  0  0
 20 18  1  0  0  0  0
 21  9  1  0  0  0  0
 22 12  1  0  0  0  0
 23 21  2  0  0  0  0
 24 22  2  0  0  0  0
  9 12  2  0  0  0  0
  8 14  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (3,020)
3020

>  <Formula> (3,020)
C18H15NO4S

>  <MolWeight> (3,020)
341.381

>  <COMPOUND_NAME> (3,020)
WAY-388720

>  <BAR_CODE_NO> (3,020)
2541281

$$$$
WAY-388721
csChFnd80/06171916322D

 18 19  0  0  0  0  0  0  0  0999 V2000
   10.4667  -11.3917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.1292  -12.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1125  -13.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4500  -12.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7875  -10.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4667  -13.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4500  -14.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4417  -13.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1292  -14.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6167  -10.7250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3000  -12.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4625  -10.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3250   -9.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3167  -10.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1042  -12.5542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1125  -16.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.1292  -13.7042    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   15.0917  -14.8417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  2  2  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  9  1  0  0  0  0
  8  3  1  0  0  0  0
  9  6  2  0  0  0  0
 10  1  2  0  0  0  0
 11  1  2  0  0  0  0
 12  5  1  0  0  0  0
 13 12  1  0  0  0  0
 14 12  1  0  0  0  0
 15  8  2  0  0  0  0
 16  7  1  0  0  0  0
 17  6  1  0  0  0  0
 18  8  1  0  0  0  0
 14 13  1  0  0  0  0
  3  7  2  0  0  0  0
M  END
>  <Mol_ID> (3,021)
3021

>  <Formula> (3,021)
C10H9Cl2NO4S

>  <MolWeight> (3,021)
310.15376

>  <COMPOUND_NAME> (3,021)
WAY-388721

>  <BAR_CODE_NO> (3,021)
2541282

$$$$
WAY-388751
csChFnd80/06171916322D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -2.7387    0.3217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7491   -0.2404    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7180   -0.2438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7387    1.4665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7663    0.3286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7180    0.3286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7215    2.0355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2199   -0.2438    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7732    1.4700    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7180    1.4631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2061    0.3148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1889   -0.2576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1820    0.3010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1923   -1.3956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1682   -0.2714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1751   -1.9749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1647   -1.4128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1440   -1.9887    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 17 18  1  0  0  0  0
  7 10  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (3,022)
3022

>  <Formula> (3,022)
C14H19ClN2S

>  <MolWeight> (3,022)
282.83206

>  <COMPOUND_NAME> (3,022)
WAY-388751

>  <BAR_CODE_NO> (3,022)
2541308

$$$$
WAY-388756
csChFnd80/06171916322D

 16 18  0  0  0  0  0  0  0  0999 V2000
    5.1042   -3.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3625   -3.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2792   -3.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6542   -2.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1667   -4.1292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4542   -2.7375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6917   -4.4542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0250   -3.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7917   -2.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7167   -3.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9667   -2.5167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0500   -1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7167   -1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3917   -1.7875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.3792   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5292   -3.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  2  0  0  0  0
  7  2  1  0  0  0  0
  8  3  2  0  0  0  0
  9  3  1  0  0  0  0
 10  6  1  0  0  0  0
 11  9  1  0  0  0  0
 12  9  2  0  0  0  0
 13 11  1  0  0  0  0
 14  4  1  0  0  0  0
 15 12  1  0  0  0  0
 16 10  1  0  0  0  0
  7  8  1  0  0  0  0
 10  5  2  0  0  0  0
 13 15  2  0  0  0  0
M  END
>  <Mol_ID> (3,023)
3023

>  <Formula> (3,023)
C11H7ClN2S2

>  <MolWeight> (3,023)
266.76968

>  <COMPOUND_NAME> (3,023)
WAY-388756

>  <BAR_CODE_NO> (3,023)
2541352

$$$$
WAY-388796
csChFnd80/06171916322D

 15 17  0  0  0  0  0  0  0  0999 V2000
   -3.0333   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2875    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7083   -0.7500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1083    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3625   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7333    1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2333   -0.4417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9333    0.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6750    0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9833    1.9208    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.5625    1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1333   -0.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3833    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8458   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9583    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  9  1  0  0  0  0
  9  7  2  0  0  0  0
 10  6  1  0  0  0  0
 11  4  1  0  0  0  0
 12  5  1  0  0  0  0
 13 11  1  0  0  0  0
 14 12  1  0  0  0  0
 15 14  1  0  0  0  0
  4  5  2  0  0  0  0
  6  8  2  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <Mol_ID> (3,024)
3024

>  <Formula> (3,024)
C11H11ClN2S

>  <MolWeight> (3,024)
238.73644

>  <COMPOUND_NAME> (3,024)
WAY-388796

>  <BAR_CODE_NO> (3,024)
2541385

$$$$
WAY-388799
csChFnd80/06171916322D

 18 20  0  0  0  0  0  0  0  0999 V2000
    2.2125    0.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4667    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7917   -0.3542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3875    0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1292    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7000    1.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5167    1.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2500   -0.1292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3667    2.3333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8500    0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    2.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7167    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1542    1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8167    2.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6667    0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9542    1.1083    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0542    0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  2  1  0  0  0  0
  9  6  2  0  0  0  0
 10  7  2  0  0  0  0
 11  7  1  0  0  0  0
 12  4  1  0  0  0  0
 13 15  1  0  0  0  0
 14  5  1  0  0  0  0
 15 11  2  0  0  0  0
 16 10  1  0  0  0  0
 17 13  1  0  0  0  0
 18 12  1  0  0  0  0
  5  3  1  0  0  0  0
 18 14  1  0  0  0  0
 16 13  2  0  0  0  0
M  END
>  <Mol_ID> (3,025)
3025

>  <Formula> (3,025)
C14H12ClNOS

>  <MolWeight> (3,025)
277.76918

>  <COMPOUND_NAME> (3,025)
WAY-388799

>  <BAR_CODE_NO> (3,025)
2541388

$$$$
WAY-388800
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
    2.2125    0.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4667    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7917   -0.3542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3917    0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1292    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7000    1.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5167    1.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2500   -0.1292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3667    2.3333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    2.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417    1.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8167    2.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3250   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8500    0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6667    0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1542    1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3042    2.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0375    1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2250    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  2  1  0  0  0  0
  9  6  2  0  0  0  0
 10  7  1  0  0  0  0
 11  4  1  0  0  0  0
 12 10  2  0  0  0  0
 13  5  1  0  0  0  0
 14  7  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 12  1  0  0  0  0
 18 11  1  0  0  0  0
 19 18  1  0  0  0  0
  5  3  1  0  0  0  0
 19 13  1  0  0  0  0
 16 12  1  0  0  0  0
M  END
>  <Mol_ID> (3,026)
3026

>  <Formula> (3,026)
C16H17NOS

>  <MolWeight> (3,026)
271.37728

>  <COMPOUND_NAME> (3,026)
WAY-388800

>  <BAR_CODE_NO> (3,026)
2541389

$$$$
WAY-388802
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   13.5500   -6.9292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0917   -3.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6542   -5.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0417   -2.2417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000   -5.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2792   -4.6042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0542   -8.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3042   -2.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9292   -3.7417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   15.3917   -6.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8292   -5.3375    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.5625   -3.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5542   -9.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4042   -9.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8292   -1.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8167   -7.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4167  -11.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2625  -11.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7542  -12.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  9  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  2  2  0  0  0  0
  6  5  1  0  0  0  0
  7  1  1  0  0  0  0
  8  4  1  0  0  0  0
  9 11  1  0  0  0  0
 10  1  1  0  0  0  0
 11  3  1  0  0  0  0
 12  3  2  0  0  0  0
 13  7  2  0  0  0  0
 14 10  1  0  0  0  0
 15  7  1  0  0  0  0
 16  8  1  0  0  0  0
 17 11  1  0  0  0  0
 18 13  1  0  0  0  0
 19 15  2  0  0  0  0
 20 19  1  0  0  0  0
 14 13  1  0  0  0  0
 20 18  2  0  0  0  0
  6  8  2  0  0  0  0
M  END
>  <Mol_ID> (3,027)
3027

>  <Formula> (3,027)
C14H15N3OS2

>  <MolWeight> (3,027)
305.4184

>  <COMPOUND_NAME> (3,027)
WAY-388802

>  <BAR_CODE_NO> (3,027)
2541353

$$$$
WAY-388843
csChFnd80/06171916322D

 18 20  0  0  0  0  0  0  0  0999 V2000
    4.4292   -2.5125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7667   -2.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1792   -3.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7667   -1.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0500   -0.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3542   -3.3000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.1000   -2.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0500    0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4792   -0.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7542    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4750    0.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5917   -4.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7542    1.2708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3292   -1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3292    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0417    1.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6167   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6167    0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  3  1  0  0  0  0
  7  2  2  0  0  0  0
  8  5  1  0  0  0  0
  9  4  2  0  0  0  0
 10 11  2  0  0  0  0
 11  9  1  0  0  0  0
 12  3  1  0  0  0  0
 13 10  1  0  0  0  0
 14  5  2  0  0  0  0
 15  8  2  0  0  0  0
 16 13  1  0  0  0  0
 17 14  1  0  0  0  0
 18 17  2  0  0  0  0
  7  6  1  0  0  0  0
 10  8  1  0  0  0  0
 15 18  1  0  0  0  0
M  END
>  <Mol_ID> (3,028)
3028

>  <Formula> (3,028)
C14H12N2OS

>  <MolWeight> (3,028)
256.32288

>  <COMPOUND_NAME> (3,028)
WAY-388843

>  <BAR_CODE_NO> (3,028)
2541431

$$$$
WAY-388854
csChFnd80/06171916322D

 23 24  0  0  0  0  0  0  0  0999 V2000
   14.3042  -10.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8542   -7.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4625   -8.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9250   -5.4667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5500   -7.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5375   -8.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0167   -8.5542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3542  -11.7917    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -11.1542    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.9917   -9.1667    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.1542   -5.4667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.5167   -3.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6292   -2.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2750   -3.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4167   -7.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5292   -5.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4542   -5.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5125   -0.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667   -2.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2667   -6.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6292    0.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8750    0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  6  1  0  0  0  0
  6  3  2  0  0  0  0
  7  2  2  0  0  0  0
  8  1  1  0  0  0  0
  9  1  1  0  0  0  0
 10  1  1  0  0  0  0
 11  4  1  0  0  0  0
 12 14  1  0  0  0  0
 13 12  1  0  0  0  0
 14 11  1  0  0  0  0
 15  3  1  0  0  0  0
 16 17  1  0  0  0  0
 17 15  2  0  0  0  0
 18 13  1  0  0  0  0
 19 13  2  0  0  0  0
 20 11  1  0  0  0  0
 21 19  1  0  0  0  0
 22 18  2  0  0  0  0
 23 21  2  0  0  0  0
 16  5  2  0  0  0  0
 23 22  1  0  0  0  0
M  END
>  <Mol_ID> (3,029)
3029

>  <Formula> (3,029)
C18H18F3NO

>  <MolWeight> (3,029)
321.3368296

>  <COMPOUND_NAME> (3,029)
WAY-388854

>  <BAR_CODE_NO> (3,029)
2541409

$$$$
WAY-388878
csChFnd80/06171916322D

 19 20  0  0  0  0  0  0  0  0999 V2000
    1.6000   -5.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3250   -3.5750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667   -6.8750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4958   -6.3417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7625   -6.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6500   -5.0917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.8792   -8.4042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958   -4.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9167   -8.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8292   -6.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7417   -6.8167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.6792   -4.9042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8625   -6.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792   -1.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9667   -8.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0167  -10.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   13.0292   -9.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7042   -8.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5 11  1  0  0  0  0
  6  1  1  0  0  0  0
  7  5  1  0  0  0  0
  8  2  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  2  0  0  0  0
 11  6  1  0  0  0  0
 12  5  2  0  0  0  0
 13 10  1  0  0  0  0
 14  2  1  0  0  0  0
 15 18  1  0  0  0  0
 16  9  1  0  0  0  0
 17 15  1  0  0  0  0
 18 16  2  0  0  0  0
 19 11  1  0  0  0  0
  8  4  2  0  0  0  0
 13 15  2  0  0  0  0
M  END
>  <Mol_ID> (3,030)
3030

>  <Formula> (3,030)
C11H12ClN5OS

>  <MolWeight> (3,030)
297.76388

>  <COMPOUND_NAME> (3,030)
WAY-388878

>  <BAR_CODE_NO> (3,030)
2541441

$$$$
WAY-388909
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    9.5750   -4.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2042   -5.3875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5542   -6.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2417   -6.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2792   -4.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6042   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2375   -3.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5667   -7.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1875   -7.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6125   -1.9917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5417   -3.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0417   -7.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3875   -8.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4542   -7.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6375   -3.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3042   -5.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3375   -7.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0917   -8.7417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3167   -9.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0125   -9.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9667   -8.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3417   -3.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6667   -4.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  6  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  2  0  0  0  0
  7  1  1  0  0  0  0
  8  4  2  0  0  0  0
  9  3  1  0  0  0  0
 10  7  2  0  0  0  0
 11  7  1  0  0  0  0
 12 13  2  0  0  0  0
 13 18  1  0  0  0  0
 14  9  1  0  0  0  0
 15  5  1  0  0  0  0
 16  6  1  0  0  0  0
 17 12  1  0  0  0  0
 18 14  1  0  0  0  0
 19 20  2  0  0  0  0
 20 13  1  0  0  0  0
 21 19  1  0  0  0  0
 22 17  1  0  0  0  0
 23 15  2  0  0  0  0
 24 23  1  0  0  0  0
  3  4  1  0  0  0  0
 16 24  2  0  0  0  0
 17 21  2  0  0  0  0
M  END
>  <Mol_ID> (3,031)
3031

>  <Formula> (3,031)
C18H16N2O4

>  <MolWeight> (3,031)
324.33064

>  <COMPOUND_NAME> (3,031)
WAY-388909

>  <BAR_CODE_NO> (3,031)
2541471

$$$$
WAY-388928
csChFnd80/06171916322D

 21 22  0  0  0  0  0  0  0  0999 V2000
    8.5042   -8.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0042   -7.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5042   -8.6125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0167   -9.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0042   -7.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4792  -10.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4917  -10.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9917  -11.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0000   -9.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9667   -9.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9917  -11.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4875  -10.3417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5000  -10.3292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5042   -8.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4917   -8.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0042   -7.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0042   -9.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5042   -6.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -9.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9917   -9.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5042   -6.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3 14  2  0  0  0  0
  4  1  2  0  0  0  0
  5  2  1  0  0  0  0
  6  8  1  0  0  0  0
  7 13  1  0  0  0  0
  8 11  2  0  0  0  0
  9  7  2  0  0  0  0
 10  9  1  0  0  0  0
 11  7  1  0  0  0  0
 12  6  1  0  0  0  0
 13 17  1  0  0  0  0
 14  5  1  0  0  0  0
 15  1  1  0  0  0  0
 16 21  2  0  0  0  0
 17 20  1  0  0  0  0
 18  5  2  0  0  0  0
 19 12  1  0  0  0  0
 20 15  1  0  0  0  0
 21 18  1  0  0  0  0
 16  3  1  0  0  0  0
  6 10  2  0  0  0  0
M  END
>  <Mol_ID> (3,032)
3032

>  <Formula> (3,032)
C16H18N2O3

>  <MolWeight> (3,032)
286.32572

>  <COMPOUND_NAME> (3,032)
WAY-388928

>  <BAR_CODE_NO> (3,032)
2541492

$$$$
WAY-389023
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
    8.6375   -5.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4125   -5.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2417   -6.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7875   -6.2417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6125   -7.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0500   -4.0292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.9125   -8.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3042   -7.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3792   -7.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1417   -8.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0542   -3.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0375   -4.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4750   -6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0750   -7.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292   -6.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7667   -7.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2875   -9.5125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   14.1542   -6.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  2  0  0  0  0
  6  2  1  0  0  0  0
  7  8  2  0  0  0  0
  8 14  1  0  0  0  0
  9  5  1  0  0  0  0
 10  7  1  0  0  0  0
 11 12  2  0  0  0  0
 12  1  1  0  0  0  0
 13  3  1  0  0  0  0
 14 13  1  0  0  0  0
 15  8  1  0  0  0  0
 16 18  1  0  0  0  0
 17  7  1  0  0  0  0
 18 15  2  0  0  0  0
 19 16  1  0  0  0  0
  6 11  1  0  0  0  0
  9  4  2  0  0  0  0
 10 16  2  0  0  0  0
M  END
>  <Mol_ID> (3,033)
3033

>  <Formula> (3,033)
C13H8ClFN2OS

>  <MolWeight> (3,033)
294.7318232

>  <COMPOUND_NAME> (3,033)
WAY-389023

>  <BAR_CODE_NO> (3,033)
2541586

$$$$
WAY-389038
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   10.1792   -5.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4250   -4.4667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1167   -6.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4792   -5.5292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1875   -4.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4125   -6.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4292   -6.5625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.2000   -6.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1667   -4.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0417   -7.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4542   -7.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9750   -4.5750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3917   -8.9167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.0625   -5.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500   -3.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3417   -2.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3375   -7.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0167  -10.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3625   -5.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1250   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3250   -2.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9  5  1  0  0  0  0
 10  6  1  0  0  0  0
 11  3  2  0  0  0  0
 12  9  1  0  0  0  0
 13 10  1  0  0  0  0
 14  6  2  0  0  0  0
 15 12  2  0  0  0  0
 16  9  2  0  0  0  0
 17 10  2  0  0  0  0
 18 13  1  0  0  0  0
 19 14  1  0  0  0  0
 20 21  2  0  0  0  0
 21 16  1  0  0  0  0
 22 19  2  0  0  0  0
  8  5  2  0  0  0  0
 17 22  1  0  0  0  0
 20 15  1  0  0  0  0
M  END
>  <Mol_ID> (3,034)
3034

>  <Formula> (3,034)
C16H13N3OS2

>  <MolWeight> (3,034)
327.42392

>  <COMPOUND_NAME> (3,034)
WAY-389038

>  <BAR_CODE_NO> (3,034)
2541601

$$$$
WAY-389063
csChFnd80/06171916322D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -0.6300    0.0677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0600    0.2537    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8160   -0.5053    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5040    0.4337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1160    0.4217    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4190   -0.5053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6020    0.0677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6330    1.0217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9480    0.0377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1690    0.2537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5420    0.1637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8970   -0.5563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4460   -0.7993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8420   -0.3553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  5  1  0  0  0  0
  8  4  2  0  0  0  0
  9  4  1  0  0  0  0
 10  7  1  0  0  0  0
 11  9  1  0  0  0  0
 12  9  1  0  0  0  0
 13 12  1  0  0  0  0
 14 11  1  0  0  0  0
  7  6  2  0  0  0  0
 14 13  1  0  0  0  0
M  END
>  <Mol_ID> (3,035)
3035

>  <Formula> (3,035)
C10H14N2OS

>  <MolWeight> (3,035)
210.29596

>  <COMPOUND_NAME> (3,035)
WAY-389063

>  <BAR_CODE_NO> (3,035)
2541632

$$$$
WAY-389072
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   14.8125  -12.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9792  -10.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3250   -9.1542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0167   -9.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2125  -11.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1667  -10.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3625   -8.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8667  -11.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3917  -11.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0167   -6.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1500  -13.5625    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -13.1042    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.9875  -11.7125    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.8792  -10.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3667  -10.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8500   -9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2000   -9.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0500   -8.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3292   -6.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3667   -5.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0500  -10.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3917   -9.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9750   -5.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0167   -4.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3250   -4.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  6  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  8  1  0  0  0  0
  7  4  2  0  0  0  0
  8  5  2  0  0  0  0
  9  2  2  0  0  0  0
 10  7  1  0  0  0  0
 11  1  1  0  0  0  0
 12  1  1  0  0  0  0
 13  1  1  0  0  0  0
 14  5  1  0  0  0  0
 15  4  1  0  0  0  0
 16 17  1  0  0  0  0
 17 14  2  0  0  0  0
 18  7  1  0  0  0  0
 19 10  2  0  0  0  0
 20 10  1  0  0  0  0
 21 15  2  0  0  0  0
 22 21  1  0  0  0  0
 23 19  1  0  0  0  0
 24 20  2  0  0  0  0
 25 24  1  0  0  0  0
  6 16  2  0  0  0  0
 18 22  2  0  0  0  0
 23 25  2  0  0  0  0
M  END
>  <Mol_ID> (3,036)
3036

>  <Formula> (3,036)
C20H14F3NO

>  <MolWeight> (3,036)
341.3264696

>  <COMPOUND_NAME> (3,036)
WAY-389072

>  <BAR_CODE_NO> (3,036)
2541641

$$$$
WAY-389073
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
    9.2667   -8.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2667   -8.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3750   -9.4542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5167  -10.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2292   -7.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1792   -5.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2125   -7.0375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2750   -7.5125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3542   -6.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2250   -5.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3250   -8.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3250   -7.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3750   -8.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1000   -3.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5708   -7.7667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292  -10.4375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3417  -10.4625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6833   -9.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9125  -12.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0542   -2.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1667   -5.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0542   -3.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7875  -12.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4292  -13.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8125  -15.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1667  -14.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6792  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  2  0  0  0  0
  4  1  1  0  0  0  0
  5  7  1  0  0  0  0
  6  5  1  0  0  0  0
  7  2  1  0  0  0  0
  8  9  1  0  0  0  0
  9  1  2  0  0  0  0
 10  6  2  0  0  0  0
 11  5  2  0  0  0  0
 12 13  2  0  0  0  0
 13 11  1  0  0  0  0
 14  6  1  0  0  0  0
 15 12  1  0  0  0  0
 16 13  1  0  0  0  0
 17  2  2  0  0  0  0
 18 16  1  0  0  0  0
 19  4  1  0  0  0  0
 20 14  2  0  0  0  0
 21  9  1  0  0  0  0
 22 14  1  0  0  0  0
 23 19  1  0  0  0  0
 24 19  2  0  0  0  0
 25 24  1  0  0  0  0
 26 23  2  0  0  0  0
 27 25  2  0  0  0  0
  8  3  1  0  0  0  0
 27 26  1  0  0  0  0
 10 12  1  0  0  0  0
 15 18  1  0  0  0  0
M  END
>  <Mol_ID> (3,037)
3037

>  <Formula> (3,037)
C20H16N2O5

>  <MolWeight> (3,037)
364.35144

>  <COMPOUND_NAME> (3,037)
WAY-389073

>  <BAR_CODE_NO> (3,037)
2541642

$$$$
WAY-389079
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    4.3125   -2.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5917   -2.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0250   -2.0917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3042   -3.3292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.7292   -3.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4500   -3.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3042   -0.8542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0167   -1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5917   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0167   -3.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1542   -3.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7250   -2.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8667   -3.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8792   -2.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5792   -3.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4500   -4.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1667   -4.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8792   -4.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8792   -0.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3000   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1667   -2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1667   -1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5 10  1  0  0  0  0
  6  5  1  0  0  0  0
  7  8  2  0  0  0  0
  8  3  1  0  0  0  0
  9  2  1  0  0  0  0
 10  4  1  0  0  0  0
 11  6  1  0  0  0  0
 12  5  2  0  0  0  0
 13 11  2  0  0  0  0
 14  2  2  0  0  0  0
 15 13  1  0  0  0  0
 16  6  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19  9  2  0  0  0  0
 20 15  1  0  0  0  0
 21 14  1  0  0  0  0
 22 21  2  0  0  0  0
  9  7  1  0  0  0  0
 22 19  1  0  0  0  0
 18 13  1  0  0  0  0
M  END
>  <Mol_ID> (3,038)
3038

>  <Formula> (3,038)
C17H14N2O2S

>  <MolWeight> (3,038)
310.37026

>  <COMPOUND_NAME> (3,038)
WAY-389079

>  <BAR_CODE_NO> (3,038)
2541762

$$$$
WAY-389103-A
csChFnd80/06171916322D

 29 31  0  0  0  0  0  0  0  0999 V2000
   11.9042   -9.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5000  -10.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1542   -8.4167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.6667  -10.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7500   -9.4125    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.0167   -6.5292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.2292   -9.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2667  -11.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4792   -8.3792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3417   -5.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6875   -7.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0500   -8.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7917   -4.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4292  -11.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3917   -9.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1167   -6.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4875   -7.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4542   -5.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -10.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6875   -4.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9667   -8.3250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   13.6917  -12.3917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1875  -10.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1292   -3.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1375   -5.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2875  -13.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0292   -3.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0417   -5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4792   -4.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  5  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6 17  1  0  0  0  0
  7  4  2  0  0  0  0
  8  4  1  0  0  0  0
  9  1  2  0  0  0  0
 10 18  1  0  0  0  0
 11  3  1  0  0  0  0
 12  3  1  0  0  0  0
 13 10  2  0  0  0  0
 14  8  2  0  0  0  0
 15  7  1  0  0  0  0
 16 11  1  0  0  0  0
 17 12  1  0  0  0  0
 18  6  1  0  0  0  0
 19 14  1  0  0  0  0
 20 13  1  0  0  0  0
 21 15  1  0  0  0  0
 22  8  1  0  0  0  0
 23  5  1  0  0  0  0
 24 20  1  0  0  0  0
 25 20  2  0  0  0  0
 26 22  1  0  0  0  0
 27 24  2  0  0  0  0
 28 25  1  0  0  0  0
 29 28  2  0  0  0  0
 16  6  1  0  0  0  0
 15 19  2  0  0  0  0
 27 29  1  0  0  0  0
M  END
>  <Mol_ID> (3,039)
3039

>  <Formula> (3,039)
C23H28ClN3O2

>  <MolWeight> (3,039)
413.94032

>  <COMPOUND_NAME> (3,039)
WAY-389103-A

>  <BAR_CODE_NO> (3,039)
2541670

$$$$
WAY-389147
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
    9.4000   -6.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7500   -7.5792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7500   -5.7917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7042   -6.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7042   -7.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5042   -6.6917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.0167   -1.8167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6917   -8.6125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1625   -7.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6792   -2.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8167   -8.6250    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   14.3625   -9.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7125   -6.7042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0500   -7.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7917  -10.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4667   -9.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0917   -4.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3500   -3.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4250  -11.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3167  -11.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -10.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9542  -12.5125    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.7500   -5.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7500   -7.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3667   -7.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7875   -6.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7875   -7.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7 10  3  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
 10 18  1  0  0  0  0
 11  8  1  0  0  0  0
 12 11  1  0  0  0  0
 13  9  2  0  0  0  0
 14  6  1  0  0  0  0
 15 12  2  0  0  0  0
 16 12  1  0  0  0  0
 17  3  1  0  0  0  0
 18 17  1  0  0  0  0
 19 21  1  0  0  0  0
 20 15  1  0  0  0  0
 21 16  2  0  0  0  0
 22 19  1  0  0  0  0
 23  4  2  0  0  0  0
 24  5  2  0  0  0  0
 25 11  1  0  0  0  0
 26 23  1  0  0  0  0
 27 24  1  0  0  0  0
  5  4  1  0  0  0  0
 27 26  2  0  0  0  0
 20 19  2  0  0  0  0
M  END
>  <Mol_ID> (3,040)
3040

>  <Formula> (3,040)
C20H19FN4OS

>  <MolWeight> (3,040)
382.4544632

>  <COMPOUND_NAME> (3,040)
WAY-389147

>  <BAR_CODE_NO> (3,040)
2541712

$$$$
WAY-389166
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
    9.3917  -10.0875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2250  -10.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2292  -11.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9917  -11.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2417  -11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7250  -11.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6042   -9.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8000  -10.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8500  -12.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2667  -12.3917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9542  -10.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4375   -9.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9792  -12.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5375  -11.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2125   -9.9417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6875  -11.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5375  -13.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5042  -11.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1542   -8.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8875  -10.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8125   -8.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292   -8.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -13.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5417   -7.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3542   -7.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  6  2  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  7  2  1  0  0  0  0
  8  5  2  0  0  0  0
  9  5  1  0  0  0  0
 10  4  2  0  0  0  0
 11  8  1  0  0  0  0
 12  7  1  0  0  0  0
 13  9  2  0  0  0  0
 14 13  1  0  0  0  0
 15  8  1  0  0  0  0
 16  2  2  0  0  0  0
 17 13  1  0  0  0  0
 18 16  1  0  0  0  0
 19  7  2  0  0  0  0
 20 18  2  0  0  0  0
 21 12  2  0  0  0  0
 22 15  1  0  0  0  0
 23 17  1  0  0  0  0
 24 19  1  0  0  0  0
 25 24  2  0  0  0  0
 12 20  1  0  0  0  0
 21 25  1  0  0  0  0
 14 11  2  0  0  0  0
M  END
>  <Mol_ID> (3,041)
3041

>  <Formula> (3,041)
C21H19NO3

>  <MolWeight> (3,041)
333.38046

>  <COMPOUND_NAME> (3,041)
WAY-389166

>  <BAR_CODE_NO> (3,041)
2541732

$$$$
WAY-389175
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
    8.1000   -4.0875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6167   -2.0875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6250   -3.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9667   -2.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0792   -1.6167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5167   -2.8167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.2542   -4.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5250   -5.7250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3042   -4.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6542   -5.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2042   -5.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8750   -4.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.8000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   15.1792   -2.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8125   -6.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6000   -4.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1792   -5.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9625   -3.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9667   -4.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6375   -2.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  4  1  0  0  0  0
  7  3  1  0  0  0  0
  8 16  1  0  0  0  0
  9  6  1  0  0  0  0
 10 12  2  0  0  0  0
 11 10  1  0  0  0  0
 12  9  1  0  0  0  0
 13 11  1  0  0  0  0
 14 20  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17  7  2  0  0  0  0
 18  7  1  0  0  0  0
 19 14  1  0  0  0  0
 20 12  1  0  0  0  0
  5  2  1  0  0  0  0
 15  8  2  0  0  0  0
 11 19  2  0  0  0  0
M  END
>  <Mol_ID> (3,042)
3042

>  <Formula> (3,042)
C14H10BrN3OS

>  <MolWeight> (3,042)
348.2177

>  <COMPOUND_NAME> (3,042)
WAY-389175

>  <BAR_CODE_NO> (3,042)
2541760

$$$$
WAY-389228
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   12.9542   -7.4167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9542   -2.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9625   -5.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9500   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9792   -9.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9917  -10.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9500   -3.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9542   -7.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9500   -3.9417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9417   -5.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9875  -10.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9417   -3.9667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9542    1.2583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9667   -9.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9417   -0.4667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9542   -2.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0042  -12.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9417   -5.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -12.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9542   -3.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0167  -14.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0125  -14.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9542   -5.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7  9  1  0  0  0  0
  8  1  1  0  0  0  0
  9 10  1  0  0  0  0
 10  3  1  0  0  0  0
 11 14  1  0  0  0  0
 12  3  2  0  0  0  0
 13  4  2  0  0  0  0
 14  8  1  0  0  0  0
 15  4  1  0  0  0  0
 16  2  2  0  0  0  0
 17  6  1  0  0  0  0
 18  7  2  0  0  0  0
 19 11  1  0  0  0  0
 20 23  2  0  0  0  0
 21 17  2  0  0  0  0
 22 19  2  0  0  0  0
 23 18  1  0  0  0  0
 11  6  2  0  0  0  0
 22 21  1  0  0  0  0
 16 20  1  0  0  0  0
M  END
>  <Mol_ID> (3,043)
3043

>  <Formula> (3,043)
C18H18N2O3

>  <MolWeight> (3,043)
310.34712

>  <COMPOUND_NAME> (3,043)
WAY-389228

>  <BAR_CODE_NO> (3,043)
2541792

$$$$
WAY-389248
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   12.3042   -8.8667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.6750   -7.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2792   -6.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5292   -8.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5042   -6.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1375   -7.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4417   -7.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2542   -9.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6917   -9.9375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8167   -6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5875   -6.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6500   -5.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1125   -5.6375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4167   -5.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9625   -7.8042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9792   -5.6750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.3667   -7.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1542   -9.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7417   -5.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3875   -9.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1250   -4.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  6  1  0  0  0  0
  6  4  1  0  0  0  0
  7  2  1  0  0  0  0
  8  1  2  0  0  0  0
  9  1  2  0  0  0  0
 10  7  2  0  0  0  0
 11 10  1  0  0  0  0
 12  3  1  0  0  0  0
 13  5  2  0  0  0  0
 14 10  1  0  0  0  0
 15 11  2  0  0  0  0
 16 11  1  0  0  0  0
 17  6  2  0  0  0  0
 18  4  2  0  0  0  0
 19 16  1  0  0  0  0
 20 21  2  0  0  0  0
 21 18  1  0  0  0  0
 22 19  1  0  0  0  0
  5  3  1  0  0  0  0
 20 17  1  0  0  0  0
 14 12  2  0  0  0  0
M  END
>  <Mol_ID> (3,044)
3044

>  <Formula> (3,044)
C16H13NO4S

>  <MolWeight> (3,044)
315.34372

>  <COMPOUND_NAME> (3,044)
WAY-389248

>  <BAR_CODE_NO> (3,044)
2541833

$$$$
WAY-389260
csChFnd80/06171916322D

 30 32  0  0  0  0  0  0  0  0999 V2000
    9.2167   -5.0542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0417   -3.0875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7917   -6.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6792   -7.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5375   -7.0167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8292   -1.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2625   -7.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9542   -6.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0167  -10.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4292   -9.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7750   -4.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0750   -5.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4875   -4.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1917   -3.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2292   -7.0417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2375   -6.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7042   -8.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4042   -7.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2917   -9.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9875   -8.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2125   -0.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7125   -2.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3500   -0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9667   -1.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4667   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5917    0.6333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0375  -11.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -10.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6042  -11.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4792    0.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 13  1  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5  8  1  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8  3  1  0  0  0  0
  9 10  1  0  0  0  0
 10 20  2  0  0  0  0
 11  1  1  0  0  0  0
 12  1  1  0  0  0  0
 13 12  1  0  0  0  0
 14 11  1  0  0  0  0
 15  3  2  0  0  0  0
 16  4  2  0  0  0  0
 17  7  1  0  0  0  0
 18  7  2  0  0  0  0
 19 17  2  0  0  0  0
 20 18  1  0  0  0  0
 21  6  1  0  0  0  0
 22  6  2  0  0  0  0
 23 24  2  0  0  0  0
 24 22  1  0  0  0  0
 25 21  2  0  0  0  0
 26 23  1  0  0  0  0
 27  9  1  0  0  0  0
 28  9  1  0  0  0  0
 29  9  1  0  0  0  0
 30 26  1  0  0  0  0
 14  2  1  0  0  0  0
 25 23  1  0  0  0  0
 10 19  1  0  0  0  0
M  END
>  <Mol_ID> (3,045)
3045

>  <Formula> (3,045)
C24H31N3O3

>  <MolWeight> (3,045)
409.52124

>  <COMPOUND_NAME> (3,045)
WAY-389260

>  <BAR_CODE_NO> (3,045)
2541820

$$$$
WAY-233609
csChFnd80/06171916322D

 23 26  0  0  0  0  0  0  0  0999 V2000
   12.9255   -0.4700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0440   -0.4700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2815   -0.4700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3955   -1.2340    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5935    0.2595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5790   -1.2340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7125    0.2740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6975   -1.2340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2765   -1.2340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3955    0.2595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6880   -0.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0440   -1.9975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0440    1.0230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2815    1.0380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2815   -1.9975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5690   -0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6880   -1.9975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5790   -2.7665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6330    1.7870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7125    1.8015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6930   -2.7615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -1.2385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5690   -2.0025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  8  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  2  1  0  0  0  0
  7  5  1  0  0  0  0
  8  6  2  0  0  0  0
  9  4  1  0  0  0  0
 10  1  2  0  0  0  0
 11  9  2  0  0  0  0
 12  6  1  0  0  0  0
 13  5  2  0  0  0  0
 14  7  2  0  0  0  0
 15  8  1  0  0  0  0
 16 11  1  0  0  0  0
 17  9  1  0  0  0  0
 18 12  2  0  0  0  0
 19 13  1  0  0  0  0
 20 19  2  0  0  0  0
 21 18  1  0  0  0  0
 22 23  1  0  0  0  0
 23 17  2  0  0  0  0
  3  7  1  0  0  0  0
 22 16  2  0  0  0  0
 21 15  2  0  0  0  0
 14 20  1  0  0  0  0
M  END
>  <Mol_ID> (3,046)
3046

>  <Formula> (3,046)
C19H14N2O2

>  <MolWeight> (3,046)
302.32666

>  <COMPOUND_NAME> (3,046)
WAY-233609

>  <BAR_CODE_NO> (3,046)
3907842

$$$$
WAY-233764
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
    3.8796   -1.3136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1969   -2.4619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9796   -0.3032    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2210   -1.3274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8900   -2.1826    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8589   -3.6412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7451   -0.8619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8762   -2.4964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2003   -3.6446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5796   -0.1964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5796    1.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5928    1.8105    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7618    2.4726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9169    1.7933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7652    3.8140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0825    2.4657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9169    0.4485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2445    1.7933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0825   -0.2239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2445    0.4485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3997    2.4623    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  6  9  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
  5  7  2  0  0  0  0
  8  9  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (3,047)
3047

>  <Formula> (3,047)
C16H14BrN3O

>  <MolWeight> (3,047)
344.20586

>  <COMPOUND_NAME> (3,047)
WAY-233764

>  <BAR_CODE_NO> (3,047)
3908611

$$$$
WAY-236601
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
    6.2882    4.6960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9936    5.9120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2556    3.6548    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8641    4.6960    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3506    5.6231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2882    7.1414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5118    4.2728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6720    4.6557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0626    4.6557    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1921    5.9120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2486    3.3322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8975    7.1414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.8851    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4791    3.3322    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3774    2.5596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6720    7.1145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7679    5.8851    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.3439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0961    7.1145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9936    2.2775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5129    6.4293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7615    3.6884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3975    1.1757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0618    1.3706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7692    5.8516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8901    4.4945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8199    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8 13  1  0  0  0  0
  9  8  2  0  0  0  0
 10  4  2  0  0  0  0
 11  8  1  0  0  0  0
 12 10  1  0  0  0  0
 13 16  1  0  0  0  0
 14  9  1  0  0  0  0
 15 11  2  0  0  0  0
 16 19  1  0  0  0  0
 17 10  1  0  0  0  0
 18 16  2  0  0  0  0
 19 17  1  0  0  0  0
 20  3  1  0  0  0  0
 21  5  1  0  0  0  0
 22  7  1  0  0  0  0
 23 15  1  0  0  0  0
 24 20  1  0  0  0  0
 25 21  2  0  0  0  0
 26 22  2  0  0  0  0
 27 24  1  0  0  0  0
  5  7  2  0  0  0  0
  6 12  2  0  0  0  0
 25 26  1  0  0  0  0
 15 14  1  0  0  0  0
M  END
>  <Mol_ID> (3,048)
3048

>  <Formula> (3,048)
C18H18N6O2S

>  <MolWeight> (3,048)
382.43952

>  <COMPOUND_NAME> (3,048)
WAY-236601

>  <BAR_CODE_NO> (3,048)
3908186

$$$$
WAY-238287
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -1.0595   -0.8754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3595   -0.6512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0595   -1.6133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6802   -0.5133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1181    0.0488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0405   -1.2340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3595   -1.8340    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6802   -1.9754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3181   -0.8961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5819    0.1867    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5975    0.5867    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3181   -1.5961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8198    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5198    1.0039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3405    1.4039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7405    1.6867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9888    0.4764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5819    2.0867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2543    2.2246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6819    0.6177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  2  0  0  0  0
 17 20  1  0  0  0  0
  6  7  1  0  0  0  0
  9 12  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (3,049)
3049

>  <Formula> (3,049)
C16H17NO2S

>  <MolWeight> (3,049)
287.37668

>  <COMPOUND_NAME> (3,049)
WAY-238287

>  <BAR_CODE_NO> (3,049)
3906756

$$$$
WAY-238418
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
    0.3378   -0.1035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3378    0.6516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0516   -0.3346    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3139   -0.4794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0516    0.8827    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3139    1.0275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4999    0.2792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9622   -0.1035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9622    0.6516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2516    0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6104   -0.4794    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6104    1.0206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6275    0.9275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6275   -0.3725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2622   -0.1035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3758    0.9275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3758   -0.3725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9104   -0.4794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2622    0.6447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7516    0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5622   -0.1035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9104   -1.2311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4999    0.2792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2104   -0.4794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5622   -1.6035    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8758   -0.3725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2104   -1.2311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  6  9  2  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  1  0  0  0  0
 15 19  2  0  0  0  0
 16 20  2  0  0  0  0
 18 21  1  0  0  0  0
 18 22  2  0  0  0  0
 20 23  1  0  0  0  0
 21 24  2  0  0  0  0
 22 25  1  0  0  0  0
 23 26  1  0  0  0  0
 24 27  1  0  0  0  0
  5  7  1  0  0  0  0
  8  9  1  0  0  0  0
 17 20  1  0  0  0  0
 25 27  2  0  0  0  0
M  END
>  <Mol_ID> (3,050)
3050

>  <Formula> (3,050)
C20H17N5O2

>  <MolWeight> (3,050)
359.38128

>  <COMPOUND_NAME> (3,050)
WAY-238418

>  <BAR_CODE_NO> (3,050)
3906425

$$$$
WAY-239360
csChFnd80/06171916322D

 32 35  0  0  0  0  0  0  0  0999 V2000
   -1.2689   -2.2104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0689   -2.6725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2689   -1.2967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4792   -2.6725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0689   -3.6001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8620   -2.2104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5792   -0.8760    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0689   -0.8242    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4758   -3.6035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2585   -4.0760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8758   -4.0760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6585   -2.6622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1656   -1.2691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6137   -0.0760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8827   -4.9898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8587   -0.8380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0932    0.3723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8139   -0.0277    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5346    0.3723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5104    1.1171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4484   -0.1311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8380    1.5068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2518    1.5068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8104    2.3068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2035    2.3068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5346    2.7033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5553    3.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2553    3.9068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8587    3.9171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2794    4.7240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8587    4.7344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5587    5.1378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
 29 31  2  0  0  0  0
 30 32  2  0  0  0  0
  9 10  2  0  0  0  0
 17 18  1  0  0  0  0
 25 26  1  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <Mol_ID> (3,051)
3051

>  <Formula> (3,051)
C26H26N2O4

>  <MolWeight> (3,051)
430.49564

>  <COMPOUND_NAME> (3,051)
WAY-239360

>  <BAR_CODE_NO> (3,051)
3906470

$$$$
WAY-239499
csChFnd80/06171916322D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -2.2623   -0.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2623   -0.9724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9726    0.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5347    0.2759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9726   -1.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5347   -1.3931    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.6864   -0.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8105   -0.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6864   -0.9724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0968    0.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4105   -1.3862    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.6274   -0.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3377    0.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0584   -0.0966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3274    1.1310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7722    0.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4895   -0.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7584    1.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2032    0.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653    1.5759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1895    1.1655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
  7  9  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (3,052)
3052

>  <Formula> (3,052)
C15H14Cl2N2O2

>  <MolWeight> (3,052)
325.18986

>  <COMPOUND_NAME> (3,052)
WAY-239499

>  <BAR_CODE_NO> (3,052)
3907356

$$$$
WAY-240079
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
    5.2635    6.6028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3910    5.8907    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0771    7.7300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3910    7.2893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0771    5.4330    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.8651    6.6112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1530    7.8317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7546    7.8317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5853    9.1794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6114    5.1788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2969    9.1794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7636    4.0686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4157    9.9932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5438    8.1369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1530    5.3906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6364    9.0522    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2816    5.8907    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8405    5.8907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4499    3.6616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8400    3.1530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2128    1.3646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1701    2.3308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5350    1.8223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9076    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.0610    5.1788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.6033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2816    7.2893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8405    7.2893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0610    7.9758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  7  2  0  0  0  0
 10  2  1  0  0  0  0
 11  8  1  0  0  0  0
 12  5  1  0  0  0  0
 13  9  1  0  0  0  0
 14  4  2  0  0  0  0
 15  6  2  0  0  0  0
 16  3  1  0  0  0  0
 17 25  1  0  0  0  0
 18 10  1  0  0  0  0
 19 12  2  0  0  0  0
 20 12  1  0  0  0  0
 21 23  1  0  0  0  0
 22 19  1  0  0  0  0
 23 20  2  0  0  0  0
 24 21  1  0  0  0  0
 25 18  2  0  0  0  0
 26 11  1  0  0  0  0
 27 29  1  0  0  0  0
 28 18  1  0  0  0  0
 29 28  2  0  0  0  0
  2  4  1  0  0  0  0
 13 11  2  0  0  0  0
 22 21  2  0  0  0  0
 27 17  2  0  0  0  0
M  END
>  <Mol_ID> (3,053)
3053

>  <Formula> (3,053)
C22H17FN2O4

>  <MolWeight> (3,053)
392.3797832

>  <COMPOUND_NAME> (3,053)
WAY-240079

>  <BAR_CODE_NO> (3,053)
3907233

$$$$
WAY-241560
csChFnd80/06171916322D

 18 18  0  0  0  0  0  0  0  0999 V2000
    1.2128    2.1647    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2128    0.7771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2693    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2128    4.9749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5253    1.3445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9838    1.2809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4120    2.8693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4120    0.0555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2128    6.3592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5253    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7199    2.0728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4120    4.2693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3170    2.0728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.2246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7074    3.4173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9589    4.1195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4685    4.1570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  5  1  0  0  0  0
  4 13  1  0  0  0  0
  5  1  1  0  0  0  0
  6 14  1  0  0  0  0
  7  1  1  0  0  0  0
  8  1  1  0  0  0  0
  9  2  2  0  0  0  0
 10  4  2  0  0  0  0
 11  6  2  0  0  0  0
 12  6  1  0  0  0  0
 13  8  1  0  0  0  0
 14  7  1  0  0  0  0
 15  2  1  0  0  0  0
 16 12  1  0  0  0  0
 17 16  1  0  0  0  0
 18 16  1  0  0  0  0
  3  4  1  0  0  0  0
M  END
>  <Mol_ID> (3,054)
3054

>  <Formula> (3,054)
C12H19NO5

>  <MolWeight> (3,054)
257.28296

>  <COMPOUND_NAME> (3,054)
WAY-241560

>  <BAR_CODE_NO> (3,054)
3907763

$$$$
WAY-241597
csChFnd80/06171916322D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -0.6478   -0.3831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6482   -0.3831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0028   -0.0051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6478   -1.1391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6482   -1.1391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0028   -1.5141    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3022   -0.0111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2988   -0.0111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0028    0.7449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6032    1.1889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6088    1.1799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2988    0.7389    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3022    0.7389    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3722    1.8969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3778    1.8969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9438   -0.3861    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9502   -0.3861    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3022   -1.5141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2958   -1.5141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  1  4  2  0  0  0  0
  5  6  1  0  0  0  0
  6  4  1  0  0  0  0
  7  2  1  0  0  0  0
  8  1  1  0  0  0  0
  9  3  1  0  0  0  0
 10  9  1  0  0  0  0
 11  9  2  0  0  0  0
 12  8  2  0  0  0  0
 13  7  2  0  0  0  0
 14 10  1  0  0  0  0
 15 11  1  0  0  0  0
 16  8  1  0  0  0  0
 17  7  1  0  0  0  0
 18  5  1  0  0  0  0
 19  4  1  0  0  0  0
  5  2  2  0  0  0  0
 14 15  2  0  0  0  0
M  END
>  <Mol_ID> (3,055)
3055

>  <Formula> (3,055)
C13H15N3O3

>  <MolWeight> (3,055)
261.2765

>  <COMPOUND_NAME> (3,055)
WAY-241597

>  <BAR_CODE_NO> (3,055)
3907207

$$$$
WAY-249107
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -1.5056    0.5563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2814    1.3391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4263    0.7804    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6332   -0.5368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9849    2.4046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3504    1.0563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1220   -0.1851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6297   -0.9989    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7608    3.1977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1228    1.8391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2358   -0.3230    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8401    2.9011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6772   -1.3368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7806   -1.4747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0048   -2.2299    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2117   -2.4989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6220   -0.7506    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3151   -2.4058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5668   -1.3334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  9 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
  7  8  1  0  0  0  0
 10 12  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (3,056)
3056

>  <Formula> (3,056)
C14H10N2O2S

>  <MolWeight> (3,056)
270.3064

>  <COMPOUND_NAME> (3,056)
WAY-249107

>  <BAR_CODE_NO> (3,056)
3906295

$$$$
WAY-249566
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.1207    0.5307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2931    0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2103    0.2583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1586    0.5307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1724    1.0204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5724    0.7307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0172    0.0894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2483    0.2583    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3414    1.2514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7414    0.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0172   -0.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6207    1.2204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2690   -0.3313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2690   -0.6210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5069   -0.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0172   -0.7589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5069   -0.7589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0172   -1.0486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5069   -1.0486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2690   -1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2690   -1.4693    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  9 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 20 21  1  0  0  0  0
  7  8  1  0  0  0  0
 10 12  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (3,057)
3057

>  <Formula> (3,057)
C16H11ClN2OS

>  <MolWeight> (3,057)
314.78934

>  <COMPOUND_NAME> (3,057)
WAY-249566

>  <BAR_CODE_NO> (3,057)
3907587

$$$$
WAY-251181
csChFnd80/06171916322D

 21 22  0  0  0  0  0  0  0  0999 V2000
    0.0726   -0.0485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0830   -1.3381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1830    0.6032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0446    0.5826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2036   -1.9761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0343   -1.9968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3036   -0.0381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1726    1.8929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0446    1.7136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0274    0.0239    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3140   -1.3278    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2036   -3.2657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1550   -1.3554    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0274   -3.2864    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4243    0.6136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2933    2.5446    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0554    2.5343    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9964    1.7136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9964    0.5826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2653   -2.0071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2830    3.8343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  2  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  2  0  0  0  0
  9 18  1  0  0  0  0
 10 19  1  0  0  0  0
 13 20  1  0  0  0  0
 16 21  1  0  0  0  0
  7 11  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (3,058)
3058

>  <Formula> (3,058)
C15H17NO4S

>  <MolWeight> (3,058)
307.36478

>  <COMPOUND_NAME> (3,058)
WAY-251181

>  <BAR_CODE_NO> (3,058)
3906851

$$$$
WAY-303349
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -1.5211   -1.7255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5211   -2.5496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7383   -1.4772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2280   -1.3117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7383   -2.8013    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2280   -2.9634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2728   -2.1393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4693   -0.6944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9452   -1.7255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9452   -2.5496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3341   -0.5324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6693   -1.3013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6065    0.2400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3866   -1.7255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4100    0.4021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6824    1.1745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9548   -0.2151    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1514    1.7918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4858    1.3366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4203    2.5538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7548    2.1056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2134    2.7263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4755    3.5297    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.2652    3.7263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9100    4.1263    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  6 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
  5  7  1  0  0  0  0
  9 10  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (3,059)
3059

>  <Formula> (3,059)
C18H17N3O4

>  <MolWeight> (3,059)
339.34528

>  <COMPOUND_NAME> (3,059)
WAY-303349

>  <BAR_CODE_NO> (3,059)
3906205

$$$$
WAY-303375
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -1.4897   -0.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4897    0.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0897   -0.4931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8897   -0.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0897    0.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8897    0.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6897   -0.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2897   -0.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6897    0.2069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0897    0.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2897    0.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2897   -0.4931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7310    0.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1103   -0.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5103   -0.5069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1310    0.1931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9310   -0.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5310    0.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9310    0.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3310   -0.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5310    0.8931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3483    0.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7310    0.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1483    0.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6862   -0.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5310    0.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0690   -0.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4862   -0.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 17 20  1  0  0  0  0
 18 21  2  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  2  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
 18 19  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <Mol_ID> (3,060)
3060

>  <Formula> (3,060)
C22H21N5O

>  <MolWeight> (3,060)
371.43504

>  <COMPOUND_NAME> (3,060)
WAY-303375

>  <BAR_CODE_NO> (3,060)
3906234

$$$$
WAY-303376
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -1.2931   -0.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2931    0.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8931   -0.5103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6759   -0.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6759    0.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8931    0.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4931   -0.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0759   -0.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0759    0.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4931    0.1897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8931    0.8655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0931   -0.5552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4759    0.4448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3069   -0.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4517    0.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6862   -0.5931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3241    0.1069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8379    1.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0862   -0.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7241    0.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1069    0.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4862   -0.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7241    0.7897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5483    0.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9069   -0.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8483   -0.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3241    0.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2069   -0.7724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6862   -0.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6241   -0.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  6 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  9 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
 20 23  2  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  2  0  0  0  0
 28 30  2  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
 20 21  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (3,061)
3061

>  <Formula> (3,061)
C23H23N5O2

>  <MolWeight> (3,061)
401.46102

>  <COMPOUND_NAME> (3,061)
WAY-303376

>  <BAR_CODE_NO> (3,061)
3906235

$$$$
WAY-303382
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -0.2034   -0.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5655   -0.7931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2034   -0.1759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1586   -0.7931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9207   -0.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5655   -1.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5655    0.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1586   -1.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9207   -0.1759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2828   -0.7931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2034   -1.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5655    0.4448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5828   -1.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2414   -1.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2034    0.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1586    0.4690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2034    1.1069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5172    0.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1586    1.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5172    1.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8793    0.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1586    1.7241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8793    1.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2345    0.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2345    1.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 19 22  2  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 23 25  1  0  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
 19 20  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (3,062)
3062

>  <Formula> (3,062)
C19H21N5O

>  <MolWeight> (3,062)
335.40294

>  <COMPOUND_NAME> (3,062)
WAY-303382

>  <BAR_CODE_NO> (3,062)
3906241

$$$$
WAY-303388
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -1.2125    1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8125    2.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8125    1.8500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0333    1.8958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4125    2.1958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1958    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6125    1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8125    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958    1.5125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0333    2.5333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708    0.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4125    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4125    2.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7708    0.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2125    1.5125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9958    1.1333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9500    0.4333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7500    1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7500    2.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3500    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0958    2.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0958    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  2  0  0  0  0
  5  1  1  0  0  0  0
  6  9  1  0  0  0  0
  7  3  1  0  0  0  0
  8  6  2  0  0  0  0
  9  1  1  0  0  0  0
 10  2  1  0  0  0  0
 11  6  1  0  0  0  0
 12  4  1  0  0  0  0
 13 10  1  0  0  0  0
 14 11  1  0  0  0  0
 15  7  2  0  0  0  0
 16 14  2  0  0  0  0
 17 14  1  0  0  0  0
 18 12  1  0  0  0  0
 19 13  1  0  0  0  0
 20 17  1  0  0  0  0
 21 19  2  0  0  0  0
 22 18  2  0  0  0  0
  8  7  1  0  0  0  0
 12 13  2  0  0  0  0
 22 21  1  0  0  0  0
M  END
>  <Mol_ID> (3,063)
3063

>  <Formula> (3,063)
C14H12N4O4

>  <MolWeight> (3,063)
300.26948

>  <COMPOUND_NAME> (3,063)
WAY-303388

>  <BAR_CODE_NO> (3,063)
3906247

$$$$
WAY-303408
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -1.6414   -0.3343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4759   -0.3343    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2310    0.3726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2310   -1.0446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9931    0.3174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9310   -1.0170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4138    0.3726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4138   -1.0446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7621    0.0174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7276   -0.7964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0069   -0.3343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8241   -0.3343    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2379    0.3830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0724    0.3830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8241    1.1036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6241    1.0036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4862   -0.3274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3724    0.6657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2862   -0.1446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0862    1.0933    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
  8 11  2  0  0  0  0
  9 10  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (3,064)
3064

>  <Formula> (3,064)
C15H15BrN2O2

>  <MolWeight> (3,064)
335.1958

>  <COMPOUND_NAME> (3,064)
WAY-303408

>  <BAR_CODE_NO> (3,064)
3906267

$$$$
WAY-303410-A
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -1.8414   -0.6353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1379   -1.0560    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5414   -1.0560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1241    0.6406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5414    0.6164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3931   -0.6353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1414   -1.8594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2897   -0.6215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5621   -1.8560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3931    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1241    1.4440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2897    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3103   -1.0560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414   -2.2594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3103    0.6164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0586    0.1958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3103    1.4440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7586    0.6164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4759    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2069    0.5958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2069    1.4406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9069    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9069    1.8509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6103    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  2  0  0  0  0
  8 15  1  0  0  0  0
 11 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
  7 11  1  0  0  0  0
  9 13  2  0  0  0  0
 10 15  1  0  0  0  0
M  END
>  <Mol_ID> (3,065)
3065

>  <Formula> (3,065)
C19H25N3O3

>  <MolWeight> (3,065)
343.4201

>  <COMPOUND_NAME> (3,065)
WAY-303410-A

>  <BAR_CODE_NO> (3,065)
3906270

$$$$
WAY-303413
csChFnd80/06171916322D

 28 30  0  0  0  0  0  0  0  0999 V2000
   -0.2418   -0.2007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6797   -0.4455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2418    0.2993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1824   -0.4628    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6797   -0.9628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1176   -0.2007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2030    0.5545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6590    0.5545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1824   -0.9455    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2418   -1.2007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1176   -1.2007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5590   -0.4628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2203    1.0545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6590    1.0752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6582   -1.1835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2176   -1.7248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5590   -0.9455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2176    1.2993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6824    1.2993    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7030   -1.6835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2176    1.8234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1203    1.5545    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4203    1.7614    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9203    0.8545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1582   -1.9007    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2582   -1.9628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1410    2.0545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5582    1.2993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 14  2  0  0  0  0
  9 15  1  0  0  0  0
 10 16  2  0  0  0  0
 11 17  2  0  0  0  0
 13 18  2  0  0  0  0
 13 19  1  0  0  0  0
 15 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 19 23  2  0  0  0  0
 19 24  2  0  0  0  0
 20 25  1  0  0  0  0
 20 26  2  0  0  0  0
 22 27  1  0  0  0  0
 22 28  1  0  0  0  0
  9 10  1  0  0  0  0
 12 17  1  0  0  0  0
 14 18  1  0  0  0  0
M  END
>  <Mol_ID> (3,066)
3066

>  <Formula> (3,066)
C19H20N4O4S

>  <MolWeight> (3,066)
400.4515

>  <COMPOUND_NAME> (3,066)
WAY-303413

>  <BAR_CODE_NO> (3,066)
3906273

$$$$
WAY-303420
csChFnd80/06171916322D

 35 39  0  0  0  0  0  0  0  0999 V2000
    0.2000    0.7276    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.9379   -0.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6069    1.8172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9414    0.5379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0828    0.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5345   -1.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7241    2.1241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0310    2.7828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3483   -0.5483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6793    1.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8207   -0.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2724   -2.1448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6103   -1.4448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7759    3.2828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6345    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6897    3.6931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4931   -0.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8241    1.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4138   -1.9552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9655   -0.6828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6241    2.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2310    0.1552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1517   -2.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7034   -1.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5310    1.2828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3759   -0.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2966   -2.6621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7448   -3.9379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6138    1.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7862   -1.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1138    0.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9276   -1.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0483   -2.0172    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2586    0.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6621   -0.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  2  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 17  1  0  0  0  0
 10 18  1  0  0  0  0
 11 19  1  0  0  0  0
 11 20  2  0  0  0  0
 15 21  1  0  0  0  0
 17 22  1  0  0  0  0
 19 23  2  0  0  0  0
 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
 22 26  1  0  0  0  0
 23 27  1  0  0  0  0
 23 28  1  0  0  0  0
 25 29  1  0  0  0  0
 26 30  2  0  0  0  0
 26 31  1  0  0  0  0
 30 32  1  0  0  0  0
 30 33  1  0  0  0  0
 31 34  2  0  0  0  0
 32 35  2  0  0  0  0
 12 19  1  0  0  0  0
 14 16  2  0  0  0  0
 18 22  1  0  0  0  0
 24 27  2  0  0  0  0
 34 35  1  0  0  0  0
M  END
>  <Mol_ID> (3,067)
3067

>  <Formula> (3,067)
C25H28FN7O2

>  <MolWeight> (3,067)
477.5339232

>  <COMPOUND_NAME> (3,067)
WAY-303420

>  <BAR_CODE_NO> (3,067)
3906282

$$$$
WAY-303422
csChFnd80/06171916322D

 22 23  0  0  0  0  0  0  0  0999 V2000
    1.6589    0.1688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3693    0.5826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9486    0.5826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6555   -0.6657    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3727    1.4067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9486    1.4067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9348   -1.0761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6589    1.8205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2244   -0.6554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9348   -1.9002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6555    2.6446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4894   -1.0692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3727    3.0584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9451    3.0584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2031   -0.6554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9204   -1.0692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2031    0.1688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9204   -1.8933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6307   -0.6519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6307   -2.3002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3411   -1.0692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3411   -1.8933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 16 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
  6  8  2  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (3,068)
3068

>  <Formula> (3,068)
C17H15NO4

>  <MolWeight> (3,068)
297.3053

>  <COMPOUND_NAME> (3,068)
WAY-303422

>  <BAR_CODE_NO> (3,068)
3906285

$$$$
WAY-303430
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -1.5663   -1.7483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7974   -1.1966    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4525   -1.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2663   -2.6345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0387   -1.7483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6387   -0.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3180   -2.6345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8716   -1.5345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9387    0.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5387   -0.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1475   -0.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1525    0.9966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7387    0.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0682   -0.3966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4854    0.0655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0387    1.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3337    0.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2613    0.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7026    1.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5475    1.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9820    2.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9026    2.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1820    3.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  2  0  0  0  0
  6 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  2  0  0  0  0
 11 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12 16  2  0  0  0  0
 14 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 22 23  1  0  0  0  0
  5  7  2  0  0  0  0
 13 16  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (3,069)
3069

>  <Formula> (3,069)
C17H16N4OS

>  <MolWeight> (3,069)
324.40014

>  <COMPOUND_NAME> (3,069)
WAY-303430

>  <BAR_CODE_NO> (3,069)
3906296

$$$$
WAY-303436
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -1.6655    0.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4172    0.4690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2690    1.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2897   -0.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7793    1.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7966   -0.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5207    1.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5586   -0.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5276    1.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5448   -0.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1655    0.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9172    0.4897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5414    0.4034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9207   -0.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6724   -0.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5448   -0.8966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1103   -0.8483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1103    0.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8207   -0.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8207    0.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4345   -1.0552    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.1172   -0.7483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3586   -1.7966    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  2  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (3,070)
3070

>  <Formula> (3,070)
C15H15N3O5

>  <MolWeight> (3,070)
317.2967

>  <COMPOUND_NAME> (3,070)
WAY-303436

>  <BAR_CODE_NO> (3,070)
3906304

$$$$
WAY-303439
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -1.0621   -0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9034   -0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8034   -0.9828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4828    0.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1621   -1.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6138    0.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0379   -1.1621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4828   -1.5034    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3379    0.2586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7241    1.2586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9966   -1.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2759   -0.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5966   -0.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8966    0.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4517   -0.7034    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6448    1.6759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9966   -0.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2172    2.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8172   -0.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3517    0.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1759    0.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  2  0  0  0  0
  9 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
  5  8  1  0  0  0  0
  9 13  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (3,071)
3071

>  <Formula> (3,071)
C16H20N2OS2

>  <MolWeight> (3,071)
320.4728

>  <COMPOUND_NAME> (3,071)
WAY-303439

>  <BAR_CODE_NO> (3,071)
3906307

$$$$
WAY-303441
csChFnd80/06171916322D

 15 16  0  0  0  0  0  0  0  0999 V2000
    1.2508   -0.8243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0871   -0.7864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9612    0.3757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9646   -2.0933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6009    0.5032    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9112   -2.0002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4129    0.3757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2439    1.6274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4060   -2.1036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9940    0.7550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1301   -0.8657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4112    2.1412    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1699   -0.0795    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8561    2.1757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3388    0.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  7 11  2  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
  9 11  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (3,072)
3072

>  <Formula> (3,072)
C11H12N2OS

>  <MolWeight> (3,072)
220.29078

>  <COMPOUND_NAME> (3,072)
WAY-303441

>  <BAR_CODE_NO> (3,072)
3906311

$$$$
WAY-303451
csChFnd80/06171916322D

 32 36  0  0  0  0  0  0  0  0999 V2000
    0.4862    0.2000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.2345   -0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2345   -0.1207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4448    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3759   -1.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8759    0.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4759   -0.9207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8759    0.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1069    1.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2655    1.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1655   -1.6103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1448   -1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6241    0.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7345    1.1483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9759   -1.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2966   -1.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6345    0.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7345    1.2310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0448    2.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3241    2.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7655   -0.7621    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.3138   -2.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6345   -1.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3345    2.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5241   -1.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1138   -2.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2966    3.4310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7034   -1.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2138   -0.6207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9655    3.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5138   -1.9310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8345   -1.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  2  0  0  0  0
  7 15  2  0  0  0  0
  7 16  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  2  0  0  0  0
  9 19  1  0  0  0  0
 10 20  2  0  0  0  0
 12 21  1  0  0  0  0
 15 22  1  0  0  0  0
 16 23  2  0  0  0  0
 19 24  2  0  0  0  0
 21 25  1  0  0  0  0
 22 26  2  0  0  0  0
 24 27  1  0  0  0  0
 25 28  2  0  0  0  0
 25 29  1  0  0  0  0
 27 30  1  0  0  0  0
 28 31  1  0  0  0  0
 29 32  1  0  0  0  0
 11 15  1  0  0  0  0
 13 21  1  0  0  0  0
 20 24  1  0  0  0  0
 23 26  1  0  0  0  0
 31 32  2  0  0  0  0
M  END
>  <Mol_ID> (3,073)
3073

>  <Formula> (3,073)
C26H24N2O4

>  <MolWeight> (3,073)
428.47976

>  <COMPOUND_NAME> (3,073)
WAY-303451

>  <BAR_CODE_NO> (3,073)
3906325

$$$$
WAY-303454
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -1.5966   -0.8655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2241   -1.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0103   -1.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6034   -0.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8966   -0.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2103   -2.0069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2621   -1.3552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3034   -1.9448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2448    0.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9241   -0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8621   -2.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2034   -0.7724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8448   -3.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0621   -0.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9552   -0.8655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3966    0.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4172   -0.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1379    0.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5966    1.0069    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0690    1.6069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1966    0.5448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9966    1.4759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8034    1.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7690    2.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2759    2.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2379    2.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9897    2.7931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 19 22  2  0  0  0  0
 20 23  1  0  0  0  0
 20 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
  9 10  1  0  0  0  0
 17 18  2  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (3,074)
3074

>  <Formula> (3,074)
C19H22N2O5S

>  <MolWeight> (3,074)
390.45338

>  <COMPOUND_NAME> (3,074)
WAY-303454

>  <BAR_CODE_NO> (3,074)
3906332

$$$$
WAY-303466
csChFnd80/06171916322D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -2.1355   -1.0693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1355    0.1169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0148   -1.4280    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1596   -1.6556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0148    0.4789    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1596    0.7100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3217   -0.4624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1872   -1.0693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1872    0.1169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8645   -0.4418    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4438    0.5858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6266    0.5996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8404    1.5996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4197    1.4858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2300   -0.4142    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5024    1.0065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3886   -0.1590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  6  9  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
  5  7  1  0  0  0  0
  8  9  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (3,075)
3075

>  <Formula> (3,075)
C12H8N2OS2

>  <MolWeight> (3,075)
260.33472

>  <COMPOUND_NAME> (3,075)
WAY-303466

>  <BAR_CODE_NO> (3,075)
3906347

$$$$
WAY-303468
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -2.2207   -0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2207    0.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4207   -1.1586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0034   -1.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4207    0.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0034    0.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6207   -0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8034   -0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6207    0.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4207    1.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8034    0.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1793   -1.1793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1793    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9793    0.2414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1793    1.6207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7793    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5793    0.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3793    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5793   -0.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1793    0.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3793   -1.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1793   -0.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  2  0  0  0  0
  9 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (3,076)
3076

>  <Formula> (3,076)
C17H18N2O3

>  <MolWeight> (3,076)
298.33642

>  <COMPOUND_NAME> (3,076)
WAY-303468

>  <BAR_CODE_NO> (3,076)
3906349

$$$$
WAY-303473
csChFnd80/06171916322D

 25 29  0  0  0  0  0  0  0  0999 V2000
   -0.1517   -0.1034    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.1655    0.7172    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.8621   -0.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5621   -0.5034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5345    1.1345    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.7862    1.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5793   -0.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8414   -1.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2621   -0.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2483    0.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3483    1.9310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4621    2.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2862   -0.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5517   -1.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1172   -1.7517    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.9828   -0.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9586    1.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2655   -1.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0793   -0.3276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6862   -0.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6759    0.7724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0517   -1.6655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5517   -1.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3862    1.1966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1069    0.7966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  2  0  0  0  0
  8 15  1  0  0  0  0
  9 16  2  0  0  0  0
 10 17  2  0  0  0  0
 13 18  2  0  0  0  0
 13 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
 19 23  1  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  2  0  0  0  0
 14 18  1  0  0  0  0
 20 21  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (3,077)
3077

>  <Formula> (3,077)
C20H18BrNO3

>  <MolWeight> (3,077)
400.26582

>  <COMPOUND_NAME> (3,077)
WAY-303473

>  <BAR_CODE_NO> (3,077)
3906354

$$$$
WAY-303494-A
csChFnd80/06171916322D

 23 26  0  0  0  0  0  0  0  0999 V2000
    2.1241    2.0138    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.4690    1.6172    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.6621    2.7172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1241    2.7897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7724    2.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4483    0.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7690    2.7897    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.4483    3.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7241    0.3690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7690   -0.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7138    0.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0690   -0.8828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6793   -0.4862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3759   -0.9103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3759   -1.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2655   -0.3862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7000   -2.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0655   -2.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7276   -2.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0310   -1.6310    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0655   -2.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3759   -3.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  2  0  0  0  0
 20 23  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
 13 14  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (3,078)
3078

>  <Formula> (3,078)
C19H23FN2O

>  <MolWeight> (3,078)
314.3971232

>  <COMPOUND_NAME> (3,078)
WAY-303494-A

>  <BAR_CODE_NO> (3,078)
3906379

$$$$
WAY-303862
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -1.3125    0.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458    0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9333    0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3875   -0.1042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458    1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167   -0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3125    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167   -0.7042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9333    1.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7292   -0.7042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7375   -0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1458    0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958   -0.0667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1458    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6208   -0.3792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5208    0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5208    1.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5500    0.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5500    0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3125    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0333    1.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  6  1  0  0  0  0
  5  2  2  0  0  0  0
  6 14  1  0  0  0  0
  7  9  2  0  0  0  0
  8  6  2  0  0  0  0
  9  3  1  0  0  0  0
 10  8  1  0  0  0  0
 11  1  1  0  0  0  0
 12  4  1  0  0  0  0
 13  2  1  0  0  0  0
 14 16  1  0  0  0  0
 15  5  1  0  0  0  0
 16 11  1  0  0  0  0
 17 11  2  0  0  0  0
 18 13  2  0  0  0  0
 19 18  1  0  0  0  0
 20  3  1  0  0  0  0
 21  3  1  0  0  0  0
 22  7  1  0  0  0  0
 23 12  1  0  0  0  0
 24 19  1  0  0  0  0
  5  7  1  0  0  0  0
 19 15  2  0  0  0  0
 12 10  2  0  0  0  0
M  END
>  <Mol_ID> (3,079)
3079

>  <Formula> (3,079)
C18H21N3OS2

>  <MolWeight> (3,079)
359.50884

>  <COMPOUND_NAME> (3,079)
WAY-303862

>  <BAR_CODE_NO> (3,079)
3906830

$$$$
WAY-303863
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -0.7621    0.0966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1966    0.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3828    0.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7207   -0.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1966    0.7966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5966    0.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3828    0.8172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3207   -0.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0724   -0.6345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7621    1.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5966    1.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9724    0.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0517   -0.3207    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7621    1.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9724    0.8172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4793   -0.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4828    0.9414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000   -0.3207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5483   -1.0034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2379   -0.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0172   -1.0724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7000   -0.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8793   -0.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9655   -0.9724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3483   -0.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4483   -0.9103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6172   -0.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  2  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6 14  2  0  0  0  0
 10 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  2  0  0  0  0
 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  2  0  0  0  0
 27 29  2  0  0  0  0
  7 12  2  0  0  0  0
 14 17  1  0  0  0  0
 22 23  2  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (3,080)
3080

>  <Formula> (3,080)
C23H23N3O2S

>  <MolWeight> (3,080)
405.51262

>  <COMPOUND_NAME> (3,080)
WAY-303863

>  <BAR_CODE_NO> (3,080)
3906831

$$$$
WAY-303864
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
   -1.2069    0.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7724    0.0897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2069    0.7897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6069    0.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3931    0.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7310   -0.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7724    1.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6069    1.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9828    0.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3931    0.8103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0103    0.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0103    0.5207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3310   -0.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0828   -0.6414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7724    1.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9828    0.8103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0448   -0.3276    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4931    0.9345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4690   -0.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8241    0.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8897   -0.3276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5379   -1.0103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2276   -0.6621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0069   -1.0793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6897   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8690   -0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9552   -0.9793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3379   -0.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4379   -0.9138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6069   -0.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1172   -0.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  2  0  0  0  0
  7 15  1  0  0  0  0
  8 16  2  0  0  0  0
 13 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  2  0  0  0  0
 28 30  2  0  0  0  0
 30 31  1  0  0  0  0
  7 10  2  0  0  0  0
  9 16  1  0  0  0  0
 23 24  2  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (3,081)
3081

>  <Formula> (3,081)
C24H25N3O3S

>  <MolWeight> (3,081)
435.5386

>  <COMPOUND_NAME> (3,081)
WAY-303864

>  <BAR_CODE_NO> (3,081)
3906832

$$$$
WAY-303889
csChFnd80/06171916322D

 28 30  0  0  0  0  0  0  0  0999 V2000
   -1.7621    0.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7517    1.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0414   -0.1862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4724   -0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4655    1.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0414    1.4759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3276    0.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0414   -1.0103    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1897    0.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1897    1.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0483    2.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3862   -0.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7621   -1.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2138   -1.0103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4621   -1.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9034    1.4621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1034    0.2241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3862   -1.0103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9103    2.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8138   -0.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5276    0.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8034   -1.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2379   -0.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5138   -1.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2379   -1.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0276    0.0759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0276   -1.2690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5138   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  2  0  0  0  0
  8 15  2  0  0  0  0
 10 16  1  0  0  0  0
 12 17  1  0  0  0  0
 12 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
  9 10  1  0  0  0  0
 24 25  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (3,082)
3082

>  <Formula> (3,082)
C18H20N2O7S

>  <MolWeight> (3,082)
408.4256

>  <COMPOUND_NAME> (3,082)
WAY-303889

>  <BAR_CODE_NO> (3,082)
3906866

$$$$
WAY-303905
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    0.9172   -0.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2897   -1.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9172    0.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1207   -1.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3655   -0.4690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8517   -2.6793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1207    1.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3483   -0.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5414   -1.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2276   -2.5517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3483    0.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1207    2.8034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5828   -1.4138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7034   -0.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5828    1.4276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3207    3.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6103   -2.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6414    0.9586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9517   -1.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6103    2.8276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8207    1.7172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1310   -0.3379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0690    1.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  2  0  0  0  0
 14 19  1  0  0  0  0
 15 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  2  0  0  0  0
 21 23  2  0  0  0  0
  8 11  2  0  0  0  0
  9 10  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (3,083)
3083

>  <Formula> (3,083)
C16H15N3O4

>  <MolWeight> (3,083)
313.308

>  <COMPOUND_NAME> (3,083)
WAY-303905

>  <BAR_CODE_NO> (3,083)
3906885

$$$$
WAY-303907
csChFnd80/06171916322D

 29 31  0  0  0  0  0  0  0  0999 V2000
   -2.1069    1.9414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9276    1.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3172    1.3931    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8069    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0069    0.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5966    1.9414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8862    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2966    0.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8655    0.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3034    1.6724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3655   -0.8172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9586   -0.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4931    0.7724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2172   -1.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6379   -1.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3724    0.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1966    0.1414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0966   -0.6069    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8966   -1.8793    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1759   -2.0897    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.5621   -0.3690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4241   -0.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0931   -0.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6448   -1.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9931   -0.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5138   -1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1828   -1.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0621   -1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7138   -0.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  2  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  2  0  0  0  0
 15 18  1  0  0  0  0
 15 19  1  0  0  0  0
 15 20  1  0  0  0  0
 16 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
  6  7  2  0  0  0  0
 12 14  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (3,084)
3084

>  <Formula> (3,084)
C20H17F3N2O3S

>  <MolWeight> (3,084)
422.4207896

>  <COMPOUND_NAME> (3,084)
WAY-303907

>  <BAR_CODE_NO> (3,084)
3906889

$$$$
WAY-303908
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
    1.8862    1.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3414    0.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9655    0.8483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3414    1.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7034   -0.4724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3034    0.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8655   -0.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2414    1.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3034    1.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7655    1.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0414   -0.5897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6345    1.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7759   -0.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5966   -0.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5966   -1.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4138   -0.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4138   -2.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7586   -2.0241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2345   -0.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2345   -1.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0759   -0.1103    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  2  0  0  0  0
 17 20  2  0  0  0  0
 19 21  1  0  0  0  0
  5  7  2  0  0  0  0
  9 10  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (3,085)
3085

>  <Formula> (3,085)
C16H16BrN3O

>  <MolWeight> (3,085)
346.22174

>  <COMPOUND_NAME> (3,085)
WAY-303908

>  <BAR_CODE_NO> (3,085)
3906890

$$$$
WAY-303922
csChFnd80/06171916322D

 22 23  0  0  0  0  0  0  0  0999 V2000
   -0.1345    1.0379    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.7862    0.6621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1345    1.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3897    0.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5828    1.2379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7862   -0.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4310    1.0379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4310    1.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8552    0.0379    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.3069   -0.2483    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.1552    0.5931    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1345   -0.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4310   -0.4621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0172    2.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1345   -1.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8069    3.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5138   -1.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1552   -1.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5069   -2.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8069   -1.5828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1552   -2.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8069   -2.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  2  0  0  0  0
  8 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
  7  8  2  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (3,086)
3086

>  <Formula> (3,086)
C15H17F3N2O2

>  <MolWeight> (3,086)
314.3028896

>  <COMPOUND_NAME> (3,086)
WAY-303922

>  <BAR_CODE_NO> (3,086)
3906906

$$$$
WAY-303956
csChFnd80/06171916322D

 32 35  0  0  0  0  0  0  0  0999 V2000
   -0.0714   -0.0058    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4507   -0.6506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3955    0.6114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6355   -0.1886    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1507   -0.6403    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0528   -1.1644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1334    0.6183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0231    1.2114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6907   -0.8817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5059    0.0080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6079    0.8425    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6369    1.6149    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.3666    1.8459    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.3079   -1.2506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2334    0.0183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9183   -0.8851    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3079   -1.9817    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6059   -0.6092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5679    0.6425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5321   -1.2403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3231   -0.6058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2921    0.6563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1597   -0.8851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6679    0.0425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1803   -0.1920    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3886    0.0563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8769    0.1356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6493    0.2494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7679   -0.5851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9217    0.8770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7079    1.0114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2976    1.3252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  2  0  0  0  0
 20 23  1  0  0  0  0
 21 24  2  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
 26 29  1  0  0  0  0
 27 30  1  0  0  0  0
 28 31  1  0  0  0  0
 30 32  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
 22 24  1  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <Mol_ID> (3,087)
3087

>  <Formula> (3,087)
C21H22F3N5O3

>  <MolWeight> (3,087)
449.4262896

>  <COMPOUND_NAME> (3,087)
WAY-303956

>  <BAR_CODE_NO> (3,087)
3906940

$$$$
WAY-303967
csChFnd80/06171916322D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -0.1692    0.4176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0584    0.2487    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4002    0.2487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1692    0.7004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0209   -0.0203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3105   -0.0203    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6692    0.3383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0791    0.8383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4105    0.8383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1412   -0.2513    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0791    1.1280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0308   -0.5099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3308    1.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1895   -0.7410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2588   -0.5410    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4791   -0.7410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1101   -1.0099    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5688   -1.0099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3412   -1.1824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
  5  6  2  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (3,088)
3088

>  <Formula> (3,088)
C12H12N2O3S2

>  <MolWeight> (3,088)
296.36528

>  <COMPOUND_NAME> (3,088)
WAY-303967

>  <BAR_CODE_NO> (3,088)
3906953

$$$$
WAY-303993
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -1.5655    0.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7345    0.6586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5655   -0.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2828    0.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3207   -0.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3310    1.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7931   -0.7379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2828   -0.8862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0172    0.3379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2828    1.5862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4690   -0.2759    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4897    1.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0172   -0.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2828   -1.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8828   -0.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8966    2.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7448   -0.8862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7034   -0.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7172    2.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4828    2.8069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1069   -1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1069   -0.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9276   -1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9276   -0.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3414   -0.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1655   -0.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 16 20  1  0  0  0  0
 18 21  2  0  0  0  0
 18 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  2  0  0  0  0
 25 26  1  0  0  0  0
  5  7  2  0  0  0  0
  9 13  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (3,089)
3089

>  <Formula> (3,089)
C19H24N4O2S

>  <MolWeight> (3,089)
372.48446

>  <COMPOUND_NAME> (3,089)
WAY-303993

>  <BAR_CODE_NO> (3,089)
3906989

$$$$
WAY-304015
csChFnd80/06171916322D

 24 25  0  0  0  0  0  0  0  0999 V2000
   -2.3552    0.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0862    0.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3552   -0.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6034    0.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8241    0.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0966   -0.9621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8655    0.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8448   -0.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1172    0.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6069   -0.9621    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.6138    0.3310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1172    1.6103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6241   -1.8103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3379   -0.5310    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.3759    0.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1034    0.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8448    0.7586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6034    0.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6034   -0.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3345    0.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3345   -0.9828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8448   -0.9828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0828    0.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0828   -0.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  2  0  0  0  0
  5  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  2  0  0  0  0
 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
  6  8  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (3,090)
3090

>  <Formula> (3,090)
C18H18N2O4

>  <MolWeight> (3,090)
326.34652

>  <COMPOUND_NAME> (3,090)
WAY-304015

>  <BAR_CODE_NO> (3,090)
3907014

$$$$
WAY-304028
csChFnd80/06171916322D

 28 30  0  0  0  0  0  0  0  0999 V2000
   -0.5172    0.5552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5552    0.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2828   -0.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0483    1.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8828   -0.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2793    1.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2207    0.3621    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.1828   -1.2448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0034    1.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4034    2.5241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9690   -0.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3483    0.9552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1690   -0.1759    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6828   -0.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1034    0.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7345   -0.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0207   -0.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1034    1.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1172   -1.2759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3793    0.5103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9655    0.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0207   -1.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0207    2.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4034   -2.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9655    1.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1034   -1.7931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9655   -1.7931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8034   -3.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 16 20  2  0  0  0  0
 17 21  1  0  0  0  0
 17 22  1  0  0  0  0
 18 23  2  0  0  0  0
 19 24  1  0  0  0  0
 21 25  2  0  0  0  0
 22 26  1  0  0  0  0
 22 27  2  0  0  0  0
 24 28  1  0  0  0  0
  7  9  1  0  0  0  0
 12 14  2  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (3,091)
3091

>  <Formula> (3,091)
C20H17NO6S

>  <MolWeight> (3,091)
399.41708

>  <COMPOUND_NAME> (3,091)
WAY-304028

>  <BAR_CODE_NO> (3,091)
3907028

$$$$
WAY-304036
csChFnd80/06171916322D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -0.2751   -0.4383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0268   -1.3624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4077    0.2134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1992   -0.2176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8870   -1.6073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3146   -0.0210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4751    0.7065    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5732   -0.9245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3854    0.9203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5146   -1.1659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1785    0.3859    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6613    1.8514    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1836   -0.4866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9302    0.9962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6026    1.8755    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0939   -0.7038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7594   -0.0210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
  6  8  1  0  0  0  0
 14 15  2  0  0  0  0
M  END
>  <Mol_ID> (3,092)
3092

>  <Formula> (3,092)
C12H15N3OS

>  <MolWeight> (3,092)
249.332

>  <COMPOUND_NAME> (3,092)
WAY-304036

>  <BAR_CODE_NO> (3,092)
3907042

$$$$
WAY-304041
csChFnd80/06171916322D

 24 28  0  0  0  0  0  0  0  0999 V2000
    1.2690    0.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1517    0.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000    1.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6759   -0.1690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6655    1.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5103   -0.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0448    1.0724    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4172    2.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1310    0.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3034    1.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5414    1.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3931   -0.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9000   -0.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9103    0.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6793    0.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8966   -1.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4448   -0.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6690   -1.6034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1241   -1.5931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4414   -1.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2172    0.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2172   -1.6034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9828   -0.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9828   -1.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  9 13  1  0  0  0  0
 11 14  1  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  2  0  0  0  0
 17 20  1  0  0  0  0
 17 21  2  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
 12 14  2  0  0  0  0
 18 20  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (3,093)
3093

>  <Formula> (3,093)
C20H13NO2S

>  <MolWeight> (3,093)
331.38772

>  <COMPOUND_NAME> (3,093)
WAY-304041

>  <BAR_CODE_NO> (3,093)
3907049

$$$$
WAY-304051-A
csChFnd80/06171916322D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -0.7446   -1.3781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0446   -1.7781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7446   -0.5609    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4446   -1.7781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0446   -2.5781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0446   -0.1609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4446   -2.5781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7446   -2.9781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6726   -3.0022    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0446    0.6391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6554   -0.5609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7446   -3.8022    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.6554    1.0391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6554    1.8598    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1032    2.1598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3554    2.2598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3515    2.9219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4726    3.0598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1174    3.5771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9174    3.6391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  2  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
  7  8  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (3,094)
3094

>  <Formula> (3,094)
C15H20F2N2O

>  <MolWeight> (3,094)
282.3289064

>  <COMPOUND_NAME> (3,094)
WAY-304051-A

>  <BAR_CODE_NO> (3,094)
3907062

$$$$
WAY-304053
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    0.1931    0.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4310   -0.1034    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.8103   -0.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1931    0.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0448    0.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4241   -0.8138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4207    0.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8103   -0.8034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8103    1.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6828   -0.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1517    0.9621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0414   -1.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4207    0.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0345   -0.0966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8103    2.0310    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.1897    0.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8586    1.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0379   -1.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6621   -0.8207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0310    1.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6483    0.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6552   -2.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6483    0.9690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6517   -2.9724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  2  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
 12 19  2  0  0  0  0
 13 20  2  0  0  0  0
 14 21  1  0  0  0  0
 18 22  1  0  0  0  0
 20 23  1  0  0  0  0
 22 24  1  0  0  0  0
  9 13  1  0  0  0  0
 16 17  2  0  0  0  0
 21 23  2  0  0  0  0
M  END
>  <Mol_ID> (3,095)
3095

>  <Formula> (3,095)
C18H17ClN2O3

>  <MolWeight> (3,095)
344.79218

>  <COMPOUND_NAME> (3,095)
WAY-304053

>  <BAR_CODE_NO> (3,095)
3907064

$$$$
WAY-304062
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -1.6310   -0.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6310    0.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8586   -0.8586    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3138   -1.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8586    0.4241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3138    0.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4069   -0.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9931   -0.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9931    0.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3690   -0.2207    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6931   -1.0517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7828   -0.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3966   -0.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5690   -0.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0793   -1.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9828   -0.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9345   -1.6207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6069    0.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7828   -0.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0207    1.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1931    0.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8207    1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2345    1.7759    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.8414    2.4414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0207    1.7483    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 16 18  1  0  0  0  0
 16 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
  5  7  2  0  0  0  0
  8  9  2  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (3,096)
3096

>  <Formula> (3,096)
C17H14N2O4S2

>  <MolWeight> (3,096)
374.43406

>  <COMPOUND_NAME> (3,096)
WAY-304062

>  <BAR_CODE_NO> (3,096)
3907073

$$$$
WAY-304063
csChFnd80/06171916322D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -0.4966    0.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2552    0.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8621    1.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8621   -0.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6379   -0.0966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6379    1.1724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6103    1.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4966    1.8241    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.6103   -0.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4966   -0.7379    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4379   -0.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1897   -0.7897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9966    0.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9379   -0.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4448   -1.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7897   -1.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0966   -1.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  7 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
  9 13  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (3,097)
3097

>  <Formula> (3,097)
C13H15Cl2NO

>  <MolWeight> (3,097)
272.1703

>  <COMPOUND_NAME> (3,097)
WAY-304063

>  <BAR_CODE_NO> (3,097)
3907074

$$$$
WAY-304084
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -2.1731    2.8899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4559    1.6899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0800    2.3899    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0593    3.7381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5593    0.8381    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6386    1.3381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3731    1.1899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2559    3.3899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5386    2.1899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5200    0.3347    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7062    0.6795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6062   -0.1653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3062   -1.3826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8269    0.1795    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1993   -2.2412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0993   -1.7274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9269   -3.4653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7821   -2.9481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7200   -3.8274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4407   -5.0895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  6  9  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
  5  7  1  0  0  0  0
  8  9  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (3,098)
3098

>  <Formula> (3,098)
C16H13NO2S

>  <MolWeight> (3,098)
283.34492

>  <COMPOUND_NAME> (3,098)
WAY-304084

>  <BAR_CODE_NO> (3,098)
3907100

$$$$
WAY-304097
csChFnd80/06171916322D

 23 24  0  0  0  0  0  0  0  0999 V2000
    0.5862   -0.7379    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.5931    0.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1241   -1.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3034   -1.1448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3034    0.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1241    0.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8379   -0.7448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0241   -0.7276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0172    0.0966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3000    1.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1345    1.3310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8448    0.0862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5517   -1.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7414   -1.1310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5862    1.7448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5448   -1.9759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2621   -0.7448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5793    2.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2517   -2.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9724   -1.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2931    2.9828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9724   -1.9828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2862    3.8069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 14  2  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  2  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 21 23  1  0  0  0  0
  8  9  1  0  0  0  0
 20 22  2  0  0  0  0
M  END
>  <Mol_ID> (3,099)
3099

>  <Formula> (3,099)
C17H20N2O4

>  <MolWeight> (3,099)
316.3517

>  <COMPOUND_NAME> (3,099)
WAY-304097

>  <BAR_CODE_NO> (3,099)
3907115

$$$$
WAY-304106
csChFnd80/06171916322D

 22 25  0  0  0  0  0  0  0  0999 V2000
   -0.3408    0.6406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2821    0.0992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3408    1.7268    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5972    0.0992    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2821   -0.9870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2235    0.6406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5972    2.2716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2821    2.2716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5972   -0.9870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3408   -1.5318    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2235   -1.5318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1649    0.0992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5972    3.3578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2821    3.3578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5385   -1.5318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1649   -0.9870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3408    3.8992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5385   -2.6146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4799   -0.9870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4799   -3.1594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4213   -1.5318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4213   -2.6146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 11 16  2  0  0  0  0
 13 17  1  0  0  0  0
 15 18  1  0  0  0  0
 15 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
  9 10  2  0  0  0  0
 12 16  1  0  0  0  0
 14 17  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (3,100)
3100

>  <Formula> (3,100)
C18H17N3O

>  <MolWeight> (3,100)
291.34708

>  <COMPOUND_NAME> (3,100)
WAY-304106

>  <BAR_CODE_NO> (3,100)
3907127

$$$$
WAY-304108
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -1.4758   -0.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4758   -1.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7620   -0.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1965   -0.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7620   -2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1965   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0585   -0.7621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7620    0.4690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9102   -0.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0585   -1.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9102   -1.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0585    0.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6656   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0585    1.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3863   -1.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6656   -2.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6518    2.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0898   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3863   -3.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6518    2.9552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0898   -2.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8173   -1.5828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0585    3.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3725    3.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0585    4.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3725    4.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6518    4.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 18 22  1  0  0  0  0
 20 23  1  0  0  0  0
 20 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
  7 10  1  0  0  0  0
  9 11  2  0  0  0  0
 19 21  2  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (3,101)
3101

>  <Formula> (3,101)
C22H26N4O

>  <MolWeight> (3,101)
362.46804

>  <COMPOUND_NAME> (3,101)
WAY-304108

>  <BAR_CODE_NO> (3,101)
3907129

$$$$
WAY-304109-A
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -1.7963   -0.1894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7963   -1.5376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6307    0.4865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9583    0.4865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6169   -2.2100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9583   -2.2238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5313   -0.1825    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6376    1.8313    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1238   -0.2031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5451   -1.5376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1238   -1.5480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6514    3.1796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7175   -2.2031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5106    3.8624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7175   -3.5514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8589   -1.5169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4934    5.2072    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8796   -4.2100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0382   -2.1825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6486    5.9175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6928    5.8624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0451   -3.5376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  2  0  0  0  0
 17 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  2  0  0  0  0
  7 10  1  0  0  0  0
  9 11  2  0  0  0  0
 19 22  1  0  0  0  0
M  END
>  <Mol_ID> (3,102)
3102

>  <Formula> (3,102)
C18H20N4

>  <MolWeight> (3,102)
292.3782

>  <COMPOUND_NAME> (3,102)
WAY-304109-A

>  <BAR_CODE_NO> (3,102)
3907130

$$$$
WAY-304111-A
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -1.2586   -0.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2586   -0.8552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5586    0.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9793    0.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5379   -1.2655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9793   -1.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1621   -0.0138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5586    1.2241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6897   -0.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1724   -0.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6897   -0.8552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1621    1.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8793   -1.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1517    2.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5897   -0.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8793   -2.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8621    2.8655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3103   -1.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5897   -2.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8621    3.6966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5793    2.4552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3103   -2.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 17 21  2  0  0  0  0
 18 22  1  0  0  0  0
  7 10  1  0  0  0  0
  9 11  2  0  0  0  0
 19 22  2  0  0  0  0
M  END
>  <Mol_ID> (3,103)
3103

>  <Formula> (3,103)
C17H15N3O2

>  <MolWeight> (3,103)
293.3199

>  <COMPOUND_NAME> (3,103)
WAY-304111-A

>  <BAR_CODE_NO> (3,103)
3907132

$$$$
WAY-304116
csChFnd80/06171916322D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -2.3552    0.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3552   -1.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3552    0.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3345    0.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3552   -1.6931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3345   -1.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3552    0.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3552    1.7483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3345    0.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3552   -1.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3345   -1.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6448    0.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6448   -1.7103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6448    0.0483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6448    1.7690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6448    0.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6448    0.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6448    0.6069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6448    0.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6448    1.7483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
 10 13  2  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <Mol_ID> (3,104)
3104

>  <Formula> (3,104)
C14H21N3O3

>  <MolWeight> (3,104)
279.33484

>  <COMPOUND_NAME> (3,104)
WAY-304116

>  <BAR_CODE_NO> (3,104)
3907139

$$$$
WAY-304122
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
    6.1134    2.8280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1134    1.3906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6960    2.8280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6960    1.3906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9001    3.5467    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.9001    0.7187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4735    3.5467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3176    3.5467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4735    0.7187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2693    1.3906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2693    2.8280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4735    4.9281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3176    0.6721    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9001    4.9281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3176    4.9281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5215    2.8746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3440    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.9706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6960    5.6469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1134    5.6469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7442    3.5467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9481    2.8746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1134    7.0469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6960    7.0469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9001    7.7561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  5  1  0  0  0  0
  4  3  2  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  1  1  0  0  0  0
  9  4  1  0  0  0  0
 10 11  1  0  0  0  0
 11  7  1  0  0  0  0
 12  7  2  0  0  0  0
 13  2  1  0  0  0  0
 14  5  1  0  0  0  0
 15  8  2  0  0  0  0
 16  8  1  0  0  0  0
 17 10  1  0  0  0  0
 18 10  1  0  0  0  0
 19 14  1  0  0  0  0
 20 14  1  0  0  0  0
 21 16  1  0  0  0  0
 22 21  1  0  0  0  0
 23 20  1  0  0  0  0
 24 19  1  0  0  0  0
 25 23  1  0  0  0  0
  4  6  1  0  0  0  0
 25 24  1  0  0  0  0
 10  9  1  0  0  0  0
M  END
>  <Mol_ID> (3,105)
3105

>  <Formula> (3,105)
C20H29NO4

>  <MolWeight> (3,105)
347.44856

>  <COMPOUND_NAME> (3,105)
WAY-304122

>  <BAR_CODE_NO> (3,105)
3907145

$$$$
WAY-304150
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
    0.8690    1.2552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8690    2.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2069    0.8655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5345    0.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2069    2.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5345    2.4172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2207    0.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5345    0.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4448    2.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8690   -0.2759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1172    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8690   -1.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1310    3.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7793    2.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8690   -1.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1034   -1.0448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7931    3.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4414    2.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2069   -2.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4448    3.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2069   -2.9621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8690   -3.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4448   -3.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8586   -4.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4448   -4.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2069   -4.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  2  0  0  0  0
 17 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
  8 10  1  0  0  0  0
 18 20  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <Mol_ID> (3,106)
3106

>  <Formula> (3,106)
C22H22N2O2

>  <MolWeight> (3,106)
346.42228

>  <COMPOUND_NAME> (3,106)
WAY-304150

>  <BAR_CODE_NO> (3,106)
3907179

$$$$
WAY-304160
csChFnd80/06171916322D

 19 20  0  0  0  0  0  0  0  0999 V2000
    0.1345    0.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2931    0.1724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0448    0.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1345    2.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2931   -1.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2069    0.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0448    2.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4552   -1.8690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1345   -1.8690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2069    2.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4552   -3.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6138   -1.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3655    2.8931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6138   -3.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7724   -1.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5448    2.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7724   -3.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7069    2.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5448    0.8931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  2  0  0  0  0
  7 10  2  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <Mol_ID> (3,107)
3107

>  <Formula> (3,107)
C14H18N2O3

>  <MolWeight> (3,107)
262.30432

>  <COMPOUND_NAME> (3,107)
WAY-304160

>  <BAR_CODE_NO> (3,107)
3907191

$$$$
WAY-304163
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -1.2061   -0.1606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2061   -1.6606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0928   -2.4108    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3917   -1.6606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3917   -0.1606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0928    0.5892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6907   -2.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9897   -1.6606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9897   -0.1606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6907    0.5892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2888   -2.4106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5051    0.5892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5051    2.0892    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1031    2.0890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1031    0.5890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8041   -0.1608    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4021    2.8391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7011    2.0890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7011    0.5890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4021   -0.1608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0929    2.0892    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2887    0.5893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5052   -2.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2061    2.8392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5878   -1.6606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2887    2.0893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8869   -2.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5878   -0.1606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  1 12  1  0  0  0  0
  2  3  1  0  0  0  0
  2 23  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6 21  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
  9 22  1  0  0  0  0
 11 25  1  0  0  0  0
 12 13  1  0  0  0  0
 12 16  2  0  0  0  0
 13 14  1  0  0  0  0
 13 24  1  0  0  0  0
 14 15  2  0  0  0  0
 14 17  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 22 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  2  0  0  0  0
M  END
>  <Mol_ID> (3,108)
3108

>  <Formula> (3,108)
C22H20N2O4

>  <MolWeight> (3,108)
376.4052

>  <COMPOUND_NAME> (3,108)
WAY-304163

>  <BAR_CODE_NO> (3,108)
3907195

$$$$
WAY-304191
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.9034    0.6069    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0759    0.5931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3276   -0.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7241    0.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6310    1.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0966   -0.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9241   -0.8138    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.1517   -0.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3517    0.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6172    1.8448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7483   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9103   -1.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5034   -0.7483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5655    0.6621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3552   -0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0552    1.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0931   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6310   -0.5069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7793    0.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8034   -0.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6103   -1.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
  9 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
  6  7  1  0  0  0  0
  8 11  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (3,109)
3109

>  <Formula> (3,109)
C18H25NO2

>  <MolWeight> (3,109)
287.3966

>  <COMPOUND_NAME> (3,109)
WAY-304191

>  <BAR_CODE_NO> (3,109)
3937239

$$$$
WAY-304195
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -0.8276   -0.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3483    0.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1897    0.3172    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9690   -0.5207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0276   -0.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5276    0.6793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8276    0.6586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5483   -0.0207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6483   -0.8828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4724   -0.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1690   -0.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0069    0.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3897    1.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8103   -0.5207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6310    0.2966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1517   -1.1414    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.1690    1.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7897    1.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2931   -0.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4517    0.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6310   -0.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9103    0.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1103   -0.6621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2517   -0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7517   -0.1034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 13 18  1  0  0  0  0
 14 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
 24 25  1  0  0  0  0
  9 11  1  0  0  0  0
 17 18  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (3,110)
3110

>  <Formula> (3,110)
C17H17ClN2O4S

>  <MolWeight> (3,110)
380.84588

>  <COMPOUND_NAME> (3,110)
WAY-304195

>  <BAR_CODE_NO> (3,110)
3907246

$$$$
WAY-304197
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -1.6276    0.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6379   -0.1276    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3552    0.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5828    2.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7172   -0.9483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8000   -1.1207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5207    0.9069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3552    1.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2931    2.4345    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9207   -0.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5655   -2.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6897    1.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9759   -1.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6000   -2.9931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3586    0.2379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3345    2.5414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8034   -2.5621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6724    0.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3586   -0.8379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3172    1.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6724   -0.8379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7345   -2.0034    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.6103    1.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    0.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  2  0  0  0  0
 21 24  2  0  0  0  0
  8  9  1  0  0  0  0
 14 17  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (3,111)
3111

>  <Formula> (3,111)
C15H15ClN2O4S2

>  <MolWeight> (3,111)
386.8736

>  <COMPOUND_NAME> (3,111)
WAY-304197

>  <BAR_CODE_NO> (3,111)
3907249

$$$$
WAY-304202
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
    1.5809    0.0394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3395   -0.3193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9568   -0.4606    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5706    0.8359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9395    0.0704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3395   -1.0917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292   -0.1089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1361    1.2738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9395    0.9497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6844   -1.4986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4329   -0.5296    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292    0.6669    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5258    1.4773    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1260   -0.1710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4811    1.0842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2809    1.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1087    0.6600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8260   -0.5779    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4811    1.8600    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.5329   -0.2193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1846   -0.6537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9260   -0.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2329   -1.4331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4087   -0.9882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0122   -1.6537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
  9 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
  8  9  1  0  0  0  0
 15 17  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (3,112)
3112

>  <Formula> (3,112)
C16H16ClN5O3

>  <MolWeight> (3,112)
361.78294

>  <COMPOUND_NAME> (3,112)
WAY-304202

>  <BAR_CODE_NO> (3,112)
3907254

$$$$
WAY-304221
csChFnd80/06171916322D

 19 20  0  0  0  0  0  0  0  0999 V2000
    0.6586   -0.2138    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.4207   -0.2138    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.0379   -0.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0138    0.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0759    0.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6207   -1.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5207   -1.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6759   -0.2379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.9172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7517   -0.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3483    0.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4207    0.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7724   -0.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3759    0.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0138   -0.2828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0621    1.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6793    0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7138    0.8655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3966    1.2241    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  2  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
  2  3  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (3,113)
3113

>  <Formula> (3,113)
C15H19BrN2O

>  <MolWeight> (3,113)
323.22816

>  <COMPOUND_NAME> (3,113)
WAY-304221

>  <BAR_CODE_NO> (3,113)
3907278

$$$$
WAY-304233
csChFnd80/06171916322D

 29 31  0  0  0  0  0  0  0  0999 V2000
   -0.2827   -0.1134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7620   -0.3893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2827    0.4383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2001   -0.3893    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7620   -0.9617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2447   -0.1134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2001    0.7038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7620    0.7245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2001   -0.9651    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2827   -1.2272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2447   -1.2272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7206   -0.3893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2001    1.2590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7620    1.2590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6656   -1.2651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2827   -1.7893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7206   -0.9651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2827    1.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7001    1.5590    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6656   -1.8272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2827    2.1038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1656    1.8383    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4001    2.0383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9656    1.0590    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1484   -2.1099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2001   -2.0893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6484    1.5590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1656    2.4038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1484   -2.6617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  2  0  0  0  0
 11 17  2  0  0  0  0
 13 18  1  0  0  0  0
 13 19  1  0  0  0  0
 15 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 19 23  2  0  0  0  0
 19 24  2  0  0  0  0
 20 25  1  0  0  0  0
 20 26  2  0  0  0  0
 22 27  1  0  0  0  0
 22 28  1  0  0  0  0
 25 29  1  0  0  0  0
  9 10  1  0  0  0  0
 12 17  1  0  0  0  0
 14 18  2  0  0  0  0
M  END
>  <Mol_ID> (3,114)
3114

>  <Formula> (3,114)
C20H21N3O5S

>  <MolWeight> (3,114)
415.46284

>  <COMPOUND_NAME> (3,114)
WAY-304233

>  <BAR_CODE_NO> (3,114)
3907296

$$$$
WAY-304242
csChFnd80/06171916322D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -0.7276    0.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0207    0.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7172   -0.7517    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4379    0.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0241    1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7034   -1.5759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0103   -0.3310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4379   -0.3552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4448    1.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1483    0.0483    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7379    1.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6828    1.7172    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.0207   -1.9724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6793    2.5448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    1.3103    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.7276   -1.5483    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.7966   -0.7276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4897   -1.8759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5897   -0.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0241   -1.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
  9 11  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (3,115)
3115

>  <Formula> (3,115)
C11H13ClN2O5S

>  <MolWeight> (3,115)
320.74932

>  <COMPOUND_NAME> (3,115)
WAY-304242

>  <BAR_CODE_NO> (3,115)
3907306

$$$$
WAY-304258
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -1.8655   -0.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5552   -0.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8655    0.6172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1793   -0.5793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2414   -0.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5552   -1.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4897    0.6172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4897   -0.1793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9276   -0.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2414    0.6552    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2414   -1.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0724    1.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9276   -1.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8345    0.9724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0414    0.2069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3966    1.5310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8690    0.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2793    0.9310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2793   -0.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1034    0.9310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1034   -0.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5172    0.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3345    0.2103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7448   -0.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  9 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
  7  8  1  0  0  0  0
 11 13  2  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (3,116)
3116

>  <Formula> (3,116)
C16H14FN5O2

>  <MolWeight> (3,116)
327.3130632

>  <COMPOUND_NAME> (3,116)
WAY-304258

>  <BAR_CODE_NO> (3,116)
3907323

$$$$
WAY-304261
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -2.5793    0.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5897   -0.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8759    0.7966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3000    0.8069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8759   -0.8379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2931   -0.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1621    0.3931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8759    1.6172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0138    0.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1621   -0.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0138   -0.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4517    0.8069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2621    0.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9828    0.8069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2690   -0.4310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6966    0.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4069    0.8103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6966   -0.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1207    0.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4103   -0.8379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1241   -0.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8379   -0.8379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8414   -1.6655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5483   -0.4172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
  7 10  1  0  0  0  0
  9 11  2  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (3,117)
3117

>  <Formula> (3,117)
C17H13N3O4

>  <MolWeight> (3,117)
323.30282

>  <COMPOUND_NAME> (3,117)
WAY-304261

>  <BAR_CODE_NO> (3,117)
3907326

$$$$
WAY-304277
csChFnd80/06171916322D

 28 33  0  0  0  0  0  0  0  0999 V2000
    0.9207    0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1414   -0.2483    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.6310   -0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9207    1.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2103   -1.0103    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.6379   -0.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3414    0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6310   -1.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6310    1.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2103    1.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3414    1.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000   -1.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0379   -0.7483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9690    0.6621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0517   -0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3414   -1.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6310    2.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2103    2.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6379   -2.1483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8379   -0.7483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0517   -1.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9103    2.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2379   -0.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2379   -1.4379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0586   -0.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0586   -1.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4586   -0.7483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5069    0.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  2  0  0  0  0
  7 15  1  0  0  0  0
  8 16  2  0  0  0  0
  9 17  2  0  0  0  0
 10 18  1  0  0  0  0
 12 19  2  0  0  0  0
 13 20  1  0  0  0  0
 15 21  2  0  0  0  0
 17 22  1  0  0  0  0
 20 23  1  0  0  0  0
 20 24  2  0  0  0  0
 23 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
  7 11  1  0  0  0  0
  9 11  1  0  0  0  0
 12 13  1  0  0  0  0
 16 21  1  0  0  0  0
 18 22  2  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <Mol_ID> (3,118)
3118

>  <Formula> (3,118)
C24H18N2O2

>  <MolWeight> (3,118)
366.41192

>  <COMPOUND_NAME> (3,118)
WAY-304277

>  <BAR_CODE_NO> (3,118)
3907342

$$$$
WAY-304288
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
    0.2862    0.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3345    0.0241    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.9069    0.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2897    1.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9517    0.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3414   -0.6828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5172    0.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9069   -0.6793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9034    1.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5897    0.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0552    1.0897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9552   -1.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5172    1.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1276    0.0310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9034    2.1552    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.0897    0.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7621    1.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9586   -1.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5690   -0.6759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1276    1.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7448    0.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5793   -2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7414    1.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5862   -2.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1966   -3.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  2  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
 12 19  2  0  0  0  0
 13 20  2  0  0  0  0
 14 21  1  0  0  0  0
 18 22  1  0  0  0  0
 20 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
  9 13  1  0  0  0  0
 16 17  2  0  0  0  0
 21 23  2  0  0  0  0
M  END
>  <Mol_ID> (3,119)
3119

>  <Formula> (3,119)
C19H19ClN2O3

>  <MolWeight> (3,119)
358.81876

>  <COMPOUND_NAME> (3,119)
WAY-304288

>  <BAR_CODE_NO> (3,119)
3907354

$$$$
WAY-304290
csChFnd80/06171916322D

 32 36  0  0  0  0  0  0  0  0999 V2000
   -0.8207   -1.3448    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.4621   -0.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000   -1.9931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6207   -1.5448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8345    0.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3483   -0.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6000   -2.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5103   -1.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2724   -1.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3724    0.8172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6276    0.3172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8103    0.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7241   -1.3931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0759   -3.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0276   -2.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2759   -0.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9897   -1.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4483    0.7552    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.7414   -3.2828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    0.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7000   -1.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9103    1.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7000   -0.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7379    1.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5483    2.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2000    2.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0103    2.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8379    2.8069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0172    2.0103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2897    3.4931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3793    1.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1172    3.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  2  0  0  0  0
  7 14  1  0  0  0  0
  8 15  2  0  0  0  0
  9 16  1  0  0  0  0
  9 17  2  0  0  0  0
 10 18  1  0  0  0  0
 14 19  2  0  0  0  0
 16 20  2  0  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
 20 23  1  0  0  0  0
 22 24  2  0  0  0  0
 22 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  2  0  0  0  0
 26 28  2  0  0  0  0
 26 29  1  0  0  0  0
 28 30  1  0  0  0  0
 29 31  1  0  0  0  0
 30 32  1  0  0  0  0
 11 16  1  0  0  0  0
 12 18  1  0  0  0  0
 15 19  1  0  0  0  0
 21 23  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (3,120)
3120

>  <Formula> (3,120)
C26H25N3O3

>  <MolWeight> (3,120)
427.495

>  <COMPOUND_NAME> (3,120)
WAY-304290

>  <BAR_CODE_NO> (3,120)
3907358

$$$$
WAY-304303
csChFnd80/06171916322D

 19 20  0  0  0  0  0  0  0  0999 V2000
    0.3101    0.2726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4136   -0.3274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5619    1.4588    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7209   -0.3515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3136    0.5243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7860    1.6243    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7726    0.2347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5343    0.3312    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8381   -0.3895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3136    1.3002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8381   -1.6343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9105    0.2105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4998    1.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9105   -2.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9761   -0.3895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2584    2.1174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9688    0.0209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9761   -1.6343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0174   -2.2446    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  2  0  0  0  0
 13 16  1  0  0  0  0
 13 17  2  0  0  0  0
 14 18  2  0  0  0  0
 18 19  1  0  0  0  0
  5  6  2  0  0  0  0
 15 18  1  0  0  0  0
M  END
>  <Mol_ID> (3,121)
3121

>  <Formula> (3,121)
C11H9BrN2O4S

>  <MolWeight> (3,121)
345.16916

>  <COMPOUND_NAME> (3,121)
WAY-304303

>  <BAR_CODE_NO> (3,121)
3907376

$$$$
WAY-304338
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.8621   -0.1690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6793   -0.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4414    0.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3000   -0.7931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0897   -0.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0897    0.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3586    0.3586    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.7793    1.3069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4586   -0.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4414   -1.6207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9172   -0.9207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9172    0.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9828    0.9207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3414   -0.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3172   -1.6586    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.7586    0.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3586    1.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9379   -0.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1379    1.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7379   -0.3586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3207    0.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1207   -0.0414    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
 11 14  2  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 21 22  1  0  0  0  0
  7  9  1  0  0  0  0
 12 14  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (3,122)
3122

>  <Formula> (3,122)
C16H12BrClN2O2

>  <MolWeight> (3,122)
379.63568

>  <COMPOUND_NAME> (3,122)
WAY-304338

>  <BAR_CODE_NO> (3,122)
3907416

$$$$
WAY-304360
csChFnd80/06171916322D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -0.8759   -0.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2828   -0.3517    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.4552   -1.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4552    0.6483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8448   -1.3517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8448    0.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5966   -1.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6172    0.6483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9828   -1.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2828    1.6483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1759   -0.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5103   -0.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6241   -2.4034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8448    2.6276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8759    1.6483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3172   -0.3517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9517    0.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6034   -0.1310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8966   -1.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7241    1.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7931    1.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  2  0  0  0  0
  9 12  1  0  0  0  0
  9 13  2  0  0  0  0
 10 14  1  0  0  0  0
 10 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 17  2  0  0  0  0
 12 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
  8 11  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (3,123)
3123

>  <Formula> (3,123)
C15H15NO5

>  <MolWeight> (3,123)
289.2833

>  <COMPOUND_NAME> (3,123)
WAY-304360

>  <BAR_CODE_NO> (3,123)
3937439

$$$$
WAY-304388
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -1.3266   -2.4562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1236   -2.4532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4236   -2.9752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0266   -2.9752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0236   -1.9342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4266   -1.9282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2466   -1.3522    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7326    0.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2516    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2516   -0.1072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2076   -0.1072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7296   -0.4072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2076    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3114    1.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3494    2.5988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8304    2.2988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8744    2.2988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8304    1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3524    1.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3934    1.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8744    1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3114    0.7958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2076    1.6958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2126   -1.3522    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7296   -1.0072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  1  2  0  0  0  0
  2  6  2  0  0  0  0
  5  6  1  0  0  0  0
  7  6  1  0  0  0  0
 25  7  1  0  0  0  0
  5 24  1  0  0  0  0
 25 12  1  0  0  0  0
  8  9  2  0  0  0  0
 13  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 13  2  0  0  0  0
 10 12  2  0  0  0  0
 12 11  1  0  0  0  0
 14 18  1  0  0  0  0
 15 16  2  0  0  0  0
 17 15  1  0  0  0  0
 18 16  1  0  0  0  0
 21 17  2  0  0  0  0
 18 19  2  0  0  0  0
 19 21  1  0  0  0  0
 21 20  1  0  0  0  0
 13 22  1  0  0  0  0
 22 14  1  0  0  0  0
 14 23  2  0  0  0  0
 25 24  2  0  0  0  0
M  END
>  <Mol_ID> (3,124)
3124

>  <Formula> (3,124)
C21H17N3O

>  <MolWeight> (3,124)
327.37918

>  <COMPOUND_NAME> (3,124)
WAY-304388

>  <BAR_CODE_NO> (3,124)
3907471

$$$$
WAY-304400
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.1741    1.6718    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1741    1.0628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6961    1.9628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2121    1.6718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3329    0.1658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6961    0.7748    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2121    1.0628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3329    0.7748    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3329   -1.0282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8519   -0.1312    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8519   -0.7252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1741   -0.1312    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1741   -0.7252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3329   -1.6312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3679   -1.0282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8519   -1.9372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3679   -1.6312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6961    2.5688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7281    1.9778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7281    0.7598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6961   -1.0282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8519   -2.5192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8869   -1.9372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  8  1  0  0  0  0
  6  2  1  0  0  0  0
  4  7  2  0  0  0  0
  8  2  1  0  0  0  0
  9 13  1  0  0  0  0
 10  5  2  0  0  0  0
 11 10  1  0  0  0  0
 12  5  1  0  0  0  0
 12 13  2  0  0  0  0
 14  9  1  0  0  0  0
 15 11  1  0  0  0  0
 14 16  2  0  0  0  0
 17 15  2  0  0  0  0
 18  3  2  0  0  0  0
 19  4  1  0  0  0  0
 20  7  1  0  0  0  0
 21 13  1  0  0  0  0
 22 16  1  0  0  0  0
 23 17  1  0  0  0  0
  7  6  1  0  0  0  0
 11  9  2  0  0  0  0
 17 16  1  0  0  0  0
M  END
>  <Mol_ID> (3,125)
3125

>  <Formula> (3,125)
C17H19N5O

>  <MolWeight> (3,125)
309.36566

>  <COMPOUND_NAME> (3,125)
WAY-304400

>  <BAR_CODE_NO> (3,125)
3907484

$$$$
WAY-304405
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.2103    0.6724    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.4414    0.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5862    1.3241    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.5138   -0.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7483   -0.1517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0621    1.1931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3379    1.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2138    1.9724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0414   -0.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4552   -0.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7138    1.9690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7138    0.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0276   -1.2759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5793   -1.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4724    1.9690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621    0.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2897   -1.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0138   -1.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8379    1.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4172   -2.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1414   -2.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414   -2.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
  9 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  2  0  0  0  0
 14 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 19  2  0  0  0  0
 17 20  1  0  0  0  0
 18 21  2  0  0  0  0
 20 22  2  0  0  0  0
  5  9  1  0  0  0  0
 16 19  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (3,126)
3126

>  <Formula> (3,126)
C19H19NO2

>  <MolWeight> (3,126)
293.35966

>  <COMPOUND_NAME> (3,126)
WAY-304405

>  <BAR_CODE_NO> (3,126)
3907490

$$$$
WAY-304410
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -2.4446    1.7377    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1343    0.9791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4446    3.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8998    1.2860    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1343   -0.5209    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1761    1.7860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1343    4.0446    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8998    3.7515    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7757    2.5377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1761   -1.3140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1761    3.2757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1761   -2.8278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5243   -0.5209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5795    4.0239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5243   -3.5726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8450   -1.3140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8450   -2.8278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5347   -5.0795    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.1554   -3.6105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1554   -5.1347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
  7 11  2  0  0  0  0
  8  9  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (3,127)
3127

>  <Formula> (3,127)
C13H12ClN5O

>  <MolWeight> (3,127)
289.72028

>  <COMPOUND_NAME> (3,127)
WAY-304410

>  <BAR_CODE_NO> (3,127)
3907495

$$$$
WAY-304411
csChFnd80/06171916322D

 23 26  0  0  0  0  0  0  0  0999 V2000
   -2.4825    1.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3066    0.3069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2859    2.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7583    0.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0549    0.8103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3721   -1.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1313    2.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3963    3.3586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8790    1.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0865   -0.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2100   -1.9690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6031   -1.8690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4727    2.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6687    2.8552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4520    0.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0865   -1.3966    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.6589    1.8552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7900   -1.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1865   -1.6483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3072   -3.0448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1417   -2.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0451   -0.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6589   -4.0345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 14  2  0  0  0  0
 10 15  2  0  0  0  0
 11 16  1  0  0  0  0
 13 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
  5  7  2  0  0  0  0
  9 14  1  0  0  0  0
 15 17  1  0  0  0  0
 21 23  2  0  0  0  0
M  END
>  <Mol_ID> (3,128)
3128

>  <Formula> (3,128)
C17H14N4OS

>  <MolWeight> (3,128)
322.38426

>  <COMPOUND_NAME> (3,128)
WAY-304411

>  <BAR_CODE_NO> (3,128)
3907496

$$$$
WAY-304413
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
    0.7853   -0.3162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8063    0.2808    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2887   -0.2322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3313    0.5538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2363   -0.6192    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7987   -0.5382    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2887    0.3888    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3177   -0.2322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2803   -0.6432    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8263    0.2298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3177    0.3678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7987    0.6618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7993   -0.3672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8427   -0.5382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8427    0.6618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3883    1.1598    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3617   -0.2322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3617    0.3888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3453    0.5028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8837   -0.6192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7987    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2883   -0.7032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8507   -1.2222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8583    0.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8073   -0.4032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  5  1  0  0  0  0
  4  2  2  0  0  0  0
  5  1  1  0  0  0  0
  6  3  2  0  0  0  0
  7  3  1  0  0  0  0
  8  6  1  0  0  0  0
  1  9  2  0  0  0  0
 10 13  1  0  0  0  0
 11 12  1  0  0  0  0
  7 12  2  0  0  0  0
 13  9  1  0  0  0  0
 14  8  1  0  0  0  0
 15 11  1  0  0  0  0
 16  4  1  0  0  0  0
 17 14  2  0  0  0  0
 15 18  2  0  0  0  0
 19 10  2  0  0  0  0
 20 17  1  0  0  0  0
 21 12  1  0  0  0  0
 13 22  2  0  0  0  0
 23 20  1  0  0  0  0
 25 24  2  0  0  0  0
 25 22  1  0  0  0  0
  4 10  1  0  0  0  0
 19 24  1  0  0  0  0
 11  8  2  0  0  0  0
 18 17  1  0  0  0  0
M  END
>  <Mol_ID> (3,129)
3129

>  <Formula> (3,129)
C18H15N5O2

>  <MolWeight> (3,129)
333.344

>  <COMPOUND_NAME> (3,129)
WAY-304413

>  <BAR_CODE_NO> (3,129)
3907498

$$$$
WAY-304439
csChFnd80/06171916322D

 18 19  0  0  0  0  0  0  0  0999 V2000
    0.4236    0.0718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8556    0.8135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4236   -1.3949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1389    0.0718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7111    0.8343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8556   -2.1365    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1389   -1.3949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9944    0.0926    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7111   -2.1574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7111    2.3135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8556    2.2926    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4181    0.8135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4181   -2.1365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2736    0.8343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5527    0.0926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2736    2.3135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6973    0.0718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6973   -1.3949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  6  1  0  0  0  0
  8  5  1  0  0  0  0
  9  3  2  0  0  0  0
 10  5  2  0  0  0  0
 11  2  1  0  0  0  0
 12  4  1  0  0  0  0
 13  7  1  0  0  0  0
 14  8  1  0  0  0  0
 15 14  1  0  0  0  0
 16 14  1  0  0  0  0
 17 12  1  0  0  0  0
 18 13  1  0  0  0  0
  7  4  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (3,130)
3130

>  <Formula> (3,130)
C13H18N2O3

>  <MolWeight> (3,130)
250.29362

>  <COMPOUND_NAME> (3,130)
WAY-304439

>  <BAR_CODE_NO> (3,130)
3907529

$$$$
WAY-304441
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
    0.0414    0.3621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1103   -0.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4897    0.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3690    0.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6103   -0.1103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2103   -0.4517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7483    0.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6414    0.9207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7586    0.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3897    1.1414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2103   -0.9103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2207    0.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1207    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2172    0.5207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1897   -1.1517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6103   -1.1517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3828    0.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3172    0.9897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1897   -1.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6103   -1.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9000    0.9414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7897    1.1621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9793    1.3345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2103   -1.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5897   -1.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0103   -1.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8897    1.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  2  0  0  0  0
 11 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  2  0  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
 18 23  2  0  0  0  0
 19 24  2  0  0  0  0
 19 25  1  0  0  0  0
 20 26  1  0  0  0  0
 22 27  1  0  0  0  0
  5  9  1  0  0  0  0
 13 17  1  0  0  0  0
 20 24  1  0  0  0  0
M  END
>  <Mol_ID> (3,131)
3131

>  <Formula> (3,131)
C19H19N5O3

>  <MolWeight> (3,131)
365.38586

>  <COMPOUND_NAME> (3,131)
WAY-304441

>  <BAR_CODE_NO> (3,131)
3907531

$$$$
WAY-304457
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -1.4348   -0.6968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5624   -1.2140    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4348    0.4515    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3072   -1.2140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5624   -2.2450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1825   -1.2140    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3100    0.4515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3072   -2.2450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3100   -2.7588    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4348   -2.7588    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1825   -2.2450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3100    1.4826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1825   -0.0623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4451   -3.0761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1825    1.9964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0514    0.4515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0514    1.4826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1825    3.1446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0135    3.1446    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.1825    3.9791    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.3480    3.1446    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
 12 15  2  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (3,132)
3132

>  <Formula> (3,132)
C13H10F3N5

>  <MolWeight> (3,132)
293.2472096

>  <COMPOUND_NAME> (3,132)
WAY-304457

>  <BAR_CODE_NO> (3,132)
3907547

$$$$
WAY-304458
csChFnd80/06171916322D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.8895    0.2341    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8826   -0.3038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4205    0.5099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3929    0.4030    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3929   -0.4694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4446   -0.6142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0519    0.2444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7067   -0.0349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5174    0.5134    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0519   -0.2935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2446   -0.0349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9933    0.2444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4588    0.5134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9933   -0.2935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9243    0.2513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4588   -0.5659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9243   -0.3038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
  5  8  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (3,133)
3133

>  <Formula> (3,133)
C13H21N3O

>  <MolWeight> (3,133)
235.32534

>  <COMPOUND_NAME> (3,133)
WAY-304458

>  <BAR_CODE_NO> (3,133)
3907550

$$$$
WAY-304460
csChFnd80/06171916322D

 23 26  0  0  0  0  0  0  0  0999 V2000
    0.7174   -0.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0140    0.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8071   -0.9483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4761    0.2034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7101   -0.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0140    1.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6105   -1.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1933   -1.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0278   -0.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4274    0.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7136   -0.9552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7067    1.5345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7312    1.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0174   -1.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8450   -0.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4239    1.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1412   -0.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8381   -1.8379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2519   -1.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1412    1.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8550    0.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8515    1.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5722    1.5310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 10 17  2  0  0  0  0
 14 18  2  0  0  0  0
 15 19  2  0  0  0  0
 16 20  2  0  0  0  0
 17 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
  7  9  2  0  0  0  0
 12 16  1  0  0  0  0
 18 19  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (3,134)
3134

>  <Formula> (3,134)
C18H14N2O3

>  <MolWeight> (3,134)
306.31536

>  <COMPOUND_NAME> (3,134)
WAY-304460

>  <BAR_CODE_NO> (3,134)
3907553

$$$$
WAY-304480
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.1321   -0.1403    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1321    1.0014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8679   -0.7028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8679    1.5722    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8721   -0.1403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8721    1.0014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1321    1.5722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8679   -1.8486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2529    2.7097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1821    1.1222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3904    2.9722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9613    1.9681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1321   -0.7028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8762   -0.7028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1321   -1.8611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8762    1.5722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1363   -3.6069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1363   -2.4319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1404   -4.2153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8804   -0.1403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8804    1.0014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  2  0  0  0  0
  7  2  1  0  0  0  0
  8  3  2  0  0  0  0
  9  7  1  0  0  0  0
 10  7  2  0  0  0  0
 11  9  1  0  0  0  0
 12 10  1  0  0  0  0
 13  1  1  0  0  0  0
 14  5  1  0  0  0  0
 15 13  1  0  0  0  0
 16  6  1  0  0  0  0
 17 18  1  0  0  0  0
 18 15  1  0  0  0  0
 19 17  1  0  0  0  0
 20 14  2  0  0  0  0
 21 16  2  0  0  0  0
  6  4  1  0  0  0  0
 11 12  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (3,135)
3135

>  <Formula> (3,135)
C16H16N2O3

>  <MolWeight> (3,135)
284.30984

>  <COMPOUND_NAME> (3,135)
WAY-304480

>  <BAR_CODE_NO> (3,135)
3907577

$$$$
WAY-304489
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -1.3414    1.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000    0.5724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0897    0.9931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0310    1.7414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1414    0.9414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8897   -0.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5310    1.6034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000    0.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000    1.6621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5103    0.5724    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2897   -0.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2621    1.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1517    0.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5103   -0.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5897    0.8310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1483   -0.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8000   -0.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1483   -1.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4586   -0.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8000   -1.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4586   -1.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1103   -1.6862    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.7690   -1.3172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1103   -2.4379    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  2  0  0  0  0
 10 14  1  0  0  0  0
 12 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
  5  9  2  0  0  0  0
 13 15  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (3,136)
3136

>  <Formula> (3,136)
C16H15N5O2S

>  <MolWeight> (3,136)
341.3876

>  <COMPOUND_NAME> (3,136)
WAY-304489

>  <BAR_CODE_NO> (3,136)
3907589

$$$$
WAY-304501
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -0.9379    0.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3379    0.4655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9379   -0.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.5828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0379   -0.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1379    1.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3379   -0.5966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -0.7172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0621    0.2448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    1.2276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   -0.0724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4897    1.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0621   -0.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -1.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6379    0.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0207   -0.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9379    0.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6621    1.8276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6379   -0.6966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6621   -0.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6828   -1.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5621    0.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2897    1.9828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9828   -1.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000   -1.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7379    1.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6621   -1.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6379   -1.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 11 16  1  0  0  0  0
 12 17  2  0  0  0  0
 12 18  1  0  0  0  0
 13 19  2  0  0  0  0
 16 20  2  0  0  0  0
 16 21  1  0  0  0  0
 17 22  1  0  0  0  0
 18 23  2  0  0  0  0
 20 24  1  0  0  0  0
 21 25  2  0  0  0  0
 22 26  2  0  0  0  0
 24 27  2  0  0  0  0
 24 28  1  0  0  0  0
  5  7  2  0  0  0  0
  9 13  1  0  0  0  0
 23 26  1  0  0  0  0
 25 27  1  0  0  0  0
M  END
>  <Mol_ID> (3,137)
3137

>  <Formula> (3,137)
C21H21N5O2

>  <MolWeight> (3,137)
375.42374

>  <COMPOUND_NAME> (3,137)
WAY-304501

>  <BAR_CODE_NO> (3,137)
3907601

$$$$
WAY-304505-A
csChFnd80/06171916322D

 28 32  0  0  0  0  0  0  0  0999 V2000
   -0.0789    0.9129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0831    1.7421    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6336    0.5046    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7831    0.5046    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3461    0.9254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3461    1.7546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5164    1.7421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5039    0.9129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0669    0.5254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7831   -0.3121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5039   -1.5454    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7669    0.9421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0669   -0.2954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5039   -0.7246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5039   -3.1954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4836    0.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7836   -0.6954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4961   -0.2871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2206    2.1421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2164    0.5046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7831   -1.9579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2164   -1.9579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2206   -2.7746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7914   -2.7871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7586    1.7629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7961   -1.5246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9164    0.9046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9206    1.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  2  1  0  0  0  0
  8  4  1  0  0  0  0
  9  5  1  0  0  0  0
 10  4  1  0  0  0  0
 11 14  1  0  0  0  0
 12  9  1  0  0  0  0
 13  9  2  0  0  0  0
 14 10  1  0  0  0  0
 15 23  1  0  0  0  0
 16 12  2  0  0  0  0
 17 13  1  0  0  0  0
 18 17  2  0  0  0  0
 19  7  1  0  0  0  0
 20  8  1  0  0  0  0
 21 11  1  0  0  0  0
 22 11  1  0  0  0  0
 23 22  1  0  0  0  0
 24 21  1  0  0  0  0
 25 12  1  0  0  0  0
 26 17  1  0  0  0  0
 27 20  2  0  0  0  0
 28 19  2  0  0  0  0
  7  8  2  0  0  0  0
  6  5  2  0  0  0  0
 27 28  1  0  0  0  0
 15 24  1  0  0  0  0
 18 16  1  0  0  0  0
M  END
>  <Mol_ID> (3,138)
3138

>  <Formula> (3,138)
C23H26N4O

>  <MolWeight> (3,138)
374.47874

>  <COMPOUND_NAME> (3,138)
WAY-304505-A

>  <BAR_CODE_NO> (3,138)
3907605

$$$$
WAY-304513
csChFnd80/06171916322D

 23 24  0  0  0  0  0  0  0  0999 V2000
   -1.3207   -0.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1000    0.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9207   -0.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8103   -0.4552    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4621    0.5552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    1.0552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0103   -0.9621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2414   -0.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1000    1.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6000   -1.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5310   -1.4448    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3690   -0.2448    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5793    1.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4897   -1.9138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8310   -2.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8379    0.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5207    0.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9207    0.8759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7793   -0.2345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5690    0.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6690    1.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2207    0.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4586    0.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
  5  8  1  0  0  0  0
 14 15  2  0  0  0  0
M  END
>  <Mol_ID> (3,139)
3139

>  <Formula> (3,139)
C16H20N2O2S3

>  <MolWeight> (3,139)
368.5372

>  <COMPOUND_NAME> (3,139)
WAY-304513

>  <BAR_CODE_NO> (3,139)
3907615

$$$$
WAY-304529
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
    3.7515   -2.5175    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7910   -1.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7910   -3.8760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2255   -1.7225    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2255   -3.3540    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.3750   -2.5175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1655   -4.1740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8510   -1.1015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1945   -1.1015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1655   -0.8945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5815   -1.7225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5815   -3.3790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2880    0.3395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2880   -5.3995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6545   -2.5175    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6460    0.2900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2690   -2.5175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9815   -0.9030    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   13.5485   -2.4930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1055   -3.9340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0890   -1.1015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7205   -1.0930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7290   -3.9340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1800   -2.4930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -3.8840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  5  1  0  0  0  0
  8  9  1  0  0  0  0
  9  6  1  0  0  0  0
 10  4  1  0  0  0  0
 11 10  1  0  0  0  0
 12  7  1  0  0  0  0
 13  2  2  0  0  0  0
 14  3  2  0  0  0  0
 15  8  1  0  0  0  0
 16  8  2  0  0  0  0
 17 15  1  0  0  0  0
 18 11  1  0  0  0  0
 19 22  1  0  0  0  0
 20 17  2  0  0  0  0
 21 17  1  0  0  0  0
 22 21  2  0  0  0  0
 23 20  1  0  0  0  0
 24 19  1  0  0  0  0
 25 24  1  0  0  0  0
  4  5  1  0  0  0  0
 11 12  2  0  0  0  0
 23 19  2  0  0  0  0
M  END
>  <Mol_ID> (3,140)
3140

>  <Formula> (3,140)
C18H19ClN2O4

>  <MolWeight> (3,140)
362.80746

>  <COMPOUND_NAME> (3,140)
WAY-304529

>  <BAR_CODE_NO> (3,140)
3907633

$$$$
WAY-304537
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -0.6621   -0.0241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000    0.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6345   -0.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6621   -0.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9241    0.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000    1.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6345   -0.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1621    0.5034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0172   -1.1517    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3103   -1.1517    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4483    0.8379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5276    1.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2828   -1.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2621    1.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1759    0.6483    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.9345   -0.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0207   -0.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6379   -1.0828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7517    0.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1241   -0.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  2  0  0  0  0
 11 14  2  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
  7  9  1  0  0  0  0
 12 14  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (3,141)
3141

>  <Formula> (3,141)
C14H8FNO2S2

>  <MolWeight> (3,141)
305.3472232

>  <COMPOUND_NAME> (3,141)
WAY-304537

>  <BAR_CODE_NO> (3,141)
3907642

$$$$
WAY-304540
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.0846   -0.2412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6603   -1.2654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6603    0.7691    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3466   -0.2412    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8603   -0.8791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2637   -2.4654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8603    0.3795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9604    0.8415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9499   -1.5136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9639   -2.7240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9499    1.0105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2190    0.8588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3259    1.9278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0430   -0.8791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3639   -3.9309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0430    0.3795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8466    1.9346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9604    3.0140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2190    3.0243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 13 18  1  0  0  0  0
 17 19  1  0  0  0  0
  5  7  1  0  0  0  0
 14 16  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (3,142)
3142

>  <Formula> (3,142)
C15H20N2OS

>  <MolWeight> (3,142)
276.3971

>  <COMPOUND_NAME> (3,142)
WAY-304540

>  <BAR_CODE_NO> (3,142)
3907646

$$$$
WAY-304544
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.1655    0.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7034   -0.2034    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.3759   -0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1655    0.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7034   -0.8276    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2897   -0.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3759   -0.8276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9138    0.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3759    1.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1655   -1.1414    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2897   -1.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6517   -0.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9138    0.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3759    1.6759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1655   -1.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9138    1.9897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7034   -2.0793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3759   -2.0793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4586    1.6759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9138    2.6207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  8 13  2  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 16 20  2  0  0  0  0
  7 10  1  0  0  0  0
  9 13  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (3,143)
3143

>  <Formula> (3,143)
C15H16N2O3

>  <MolWeight> (3,143)
272.29914

>  <COMPOUND_NAME> (3,143)
WAY-304544

>  <BAR_CODE_NO> (3,143)
3907651

$$$$
WAY-304555
csChFnd80/06171916322D

 33 36  0  0  0  0  0  0  0  0999 V2000
   -1.0207    0.3724    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.6345    0.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4207    0.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0103    1.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6414   -0.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2414    0.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4345   -0.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1897    0.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5621    1.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4414    1.4448    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0345   -1.0276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2621   -1.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8828    0.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2345    1.1724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1793   -1.0552    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7655    0.6724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3345    2.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6414    2.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8897   -0.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9586   -0.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6828   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1897   -1.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5448   -1.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2172   -1.1345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4966   -2.0207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3897   -0.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0655   -0.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8793    0.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2586    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5966   -0.8793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0655    0.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7448    0.9138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1966    0.6517    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  2  0  0  0  0
  7 15  1  0  0  0  0
  8 16  3  0  0  0  0
  9 17  1  0  0  0  0
 10 18  1  0  0  0  0
 12 19  1  0  0  0  0
 15 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 27 29  2  0  0  0  0
 27 30  1  0  0  0  0
 28 31  1  0  0  0  0
 29 32  1  0  0  0  0
 29 33  1  0  0  0  0
  7 11  1  0  0  0  0
 13 19  1  0  0  0  0
 17 18  2  0  0  0  0
 31 32  2  0  0  0  0
M  END
>  <Mol_ID> (3,144)
3144

>  <Formula> (3,144)
C25H24ClN3O2S2

>  <MolWeight> (3,144)
498.05996

>  <COMPOUND_NAME> (3,144)
WAY-304555

>  <BAR_CODE_NO> (3,144)
3907666

$$$$
WAY-304579
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -1.2793   -0.7897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9172   -1.9552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4966   -0.7897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4690    0.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2655   -2.1931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8793   -2.6552    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8966   -1.9552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3310    0.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7207   -0.1414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8483    1.2828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0828   -1.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0690   -2.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5069   -0.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5207    0.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2655   -1.5448    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8793   -1.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1448    1.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0828   -0.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9517    2.8103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0483    2.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2655   -0.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5828    3.9931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4310    3.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6207   -2.0690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1828   -0.0414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3828    4.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 17 19  2  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  2  0  0  0  0
 21 24  1  0  0  0  0
 21 25  2  0  0  0  0
 22 26  2  0  0  0  0
  6  7  1  0  0  0  0
  9 11  1  0  0  0  0
 13 16  1  0  0  0  0
 23 26  1  0  0  0  0
M  END
>  <Mol_ID> (3,145)
3145

>  <Formula> (3,145)
C19H18N2O3S2

>  <MolWeight> (3,145)
386.48782

>  <COMPOUND_NAME> (3,145)
WAY-304579

>  <BAR_CODE_NO> (3,145)
3907691

$$$$
WAY-304606
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -2.4862   -0.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4862    0.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7000   -0.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2034   -0.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7000    0.9379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2034    1.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2069    0.2690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4414   -1.1897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9172   -0.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4414    1.7207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9172    0.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3828    0.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0310   -0.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8552   -0.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2655   -1.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0897   -1.1586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8552   -1.8759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -0.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3207   -0.4414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0793    0.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7310    0.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4897    0.9793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3172    0.9897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5552    0.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
 21 24  1  0  0  0  0
  5  7  1  0  0  0  0
  9 11  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (3,146)
3146

>  <Formula> (3,146)
C18H17N3O3

>  <MolWeight> (3,146)
323.34588

>  <COMPOUND_NAME> (3,146)
WAY-304606

>  <BAR_CODE_NO> (3,146)
3907724

$$$$
WAY-304611
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -1.5686    0.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0099   -0.0208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0617    1.7206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5686    0.8413    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5099   -0.8932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0107   -0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5617    2.5896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0617    1.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0686   -0.0415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5203   -0.8932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0099   -1.7691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5107   -0.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0617    3.4585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4521    2.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0686   -0.0415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0410   -1.7760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5314   -0.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0479    3.4585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5686   -0.9104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0617   -1.7760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0176   -1.7587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0314   -0.0311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4590    4.3413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0314   -1.7691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0383   -0.0311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5383   -0.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5314   -2.6484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5590   -0.9001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0107   -3.5277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0694   -0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  2  0  0  0  0
  9 15  2  0  0  0  0
 10 16  2  0  0  0  0
 12 17  1  0  0  0  0
 13 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 17 22  2  0  0  0  0
 18 23  1  0  0  0  0
 21 24  2  0  0  0  0
 22 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
  9 10  1  0  0  0  0
 14 18  1  0  0  0  0
 19 20  2  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <Mol_ID> (3,147)
3147

>  <Formula> (3,147)
C25H24N2O3

>  <MolWeight> (3,147)
400.46966

>  <COMPOUND_NAME> (3,147)
WAY-304611

>  <BAR_CODE_NO> (3,147)
3907729

$$$$
WAY-304615
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
    1.0379   -0.8759    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.2138   -0.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4414   -0.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8621   -0.8655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0241   -1.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1931    0.5310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0172    0.5448    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.2655   -0.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5172    0.9552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8379    0.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6172   -0.8103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6793    0.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2379    0.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5034    1.7828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2414   -0.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9414    0.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9793   -0.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6655    0.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6862   -0.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4138   -0.6276    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
  6  7  1  0  0  0  0
  8 10  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (3,148)
3148

>  <Formula> (3,148)
C17H22FNO

>  <MolWeight> (3,148)
275.3610832

>  <COMPOUND_NAME> (3,148)
WAY-304615

>  <BAR_CODE_NO> (3,148)
3907733

$$$$
WAY-304616
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
    1.7828   -0.1483    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.9621   -0.1621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2103   -0.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6069   -0.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9828   -1.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3655    0.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8069   -1.5690    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.0345   -0.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4276    0.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5690    1.2138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6310   -1.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8931   -2.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3862   -1.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4483   -0.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0172    0.7586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6034    0.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4759    1.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4241    0.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2690   -0.8172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4241    1.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0552    2.2862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1379    0.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1379    1.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8517    0.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8517    1.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  2  0  0  0  0
 17 20  1  0  0  0  0
 17 21  2  0  0  0  0
 18 22  2  0  0  0  0
 20 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
  5  7  1  0  0  0  0
  8 11  1  0  0  0  0
 18 20  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (3,149)
3149

>  <Formula> (3,149)
C20H24N2O3

>  <MolWeight> (3,149)
340.41616

>  <COMPOUND_NAME> (3,149)
WAY-304616

>  <BAR_CODE_NO> (3,149)
3907734

$$$$
WAY-304617
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
    0.9862   -0.1379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8069   -0.1241    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.0069   -1.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3897    0.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2345   -0.8241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6310   -0.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8310   -1.5448    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.4034    0.2138    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.5931    1.2379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0586   -0.8103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6552   -1.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9172   -2.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9931    0.7828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6034   -0.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4724   -0.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4103   -1.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5793    0.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4517    1.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000    0.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2448   -0.7966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000    1.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0310    2.3103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1138    0.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1138    1.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8276    0.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8276    1.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  2  0  0  0  0
 18 21  1  0  0  0  0
 18 22  2  0  0  0  0
 19 23  2  0  0  0  0
 21 24  2  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
  5  7  1  0  0  0  0
 10 11  1  0  0  0  0
 19 21  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <Mol_ID> (3,150)
3150

>  <Formula> (3,150)
C21H26N2O3

>  <MolWeight> (3,150)
354.44274

>  <COMPOUND_NAME> (3,150)
WAY-304617

>  <BAR_CODE_NO> (3,150)
3907735

$$$$
WAY-304626
csChFnd80/06171916322D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.8310   -0.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0724   -0.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6069   -0.6759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8103    0.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7069   -0.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0897   -1.5931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3655   -0.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5724    1.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4655   -0.7414    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3517    0.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2448   -0.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1103    1.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0483   -0.6931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3517    0.5655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8862    0.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6552   -0.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2241    0.7345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  7 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
  8 10  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (3,151)
3151

>  <Formula> (3,151)
C12H13N3OS

>  <MolWeight> (3,151)
247.31612

>  <COMPOUND_NAME> (3,151)
WAY-304626

>  <BAR_CODE_NO> (3,151)
3907744

$$$$
WAY-304629
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -0.5517    0.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2172    0.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1103    0.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6379    1.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9690   -0.3034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9759    0.8172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1448   -0.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8966    0.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3897    2.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4517   -0.9724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0517    1.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5103    0.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2759   -0.8828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4241   -0.6414    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3207    0.3586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6069   -0.1276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7655   -1.5448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1724   -0.9724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7345   -0.3448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6552    1.1172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4276   -0.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3483   -1.7828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5552   -0.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7310   -2.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  8 12  2  0  0  0  0
 10 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 15 20  2  0  0  0  0
 16 21  1  0  0  0  0
 18 22  2  0  0  0  0
 19 23  1  0  0  0  0
 22 24  1  0  0  0  0
  5  7  1  0  0  0  0
  9 11  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (3,152)
3152

>  <Formula> (3,152)
C17H17N3O3S

>  <MolWeight> (3,152)
343.40018

>  <COMPOUND_NAME> (3,152)
WAY-304629

>  <BAR_CODE_NO> (3,152)
3907748

$$$$
WAY-304637
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.8964   -0.1486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0722    0.1100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8964   -1.0175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6446    0.2825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2174    0.9411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4174   -0.5762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0722   -1.2762    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6446   -1.4486    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4032   -0.1486    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6446    1.1514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0692    1.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2830   -0.5693    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.4032   -1.0175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6446   -2.3175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6347    0.4411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3554    1.9100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1653   -1.4589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4830    0.6031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2036    2.0721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7554    1.4238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0692   -0.0589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
 11 15  2  0  0  0  0
 11 16  1  0  0  0  0
 13 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  2  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
  6  7  2  0  0  0  0
  9 13  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (3,153)
3153

>  <Formula> (3,153)
C14H13BrN4O2

>  <MolWeight> (3,153)
349.18262

>  <COMPOUND_NAME> (3,153)
WAY-304637

>  <BAR_CODE_NO> (3,153)
3907760

$$$$
WAY-304669
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -1.0034    0.9338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7414    1.1717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4172    1.3579    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7690    0.2476    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9897    1.9131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3793    0.7131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1724    0.9338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0517    0.2476    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7690    1.9096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0069    1.1717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8552    1.1510    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4103    0.6510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3828   -0.1731    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0207    0.9096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2966   -0.9145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6034   -1.2145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9034   -1.3662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5172   -1.9628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8103   -2.1145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1207   -2.4145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0345   -3.1524    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (3,154)
3154

>  <Formula> (3,154)
C14H15ClN4OS

>  <MolWeight> (3,154)
322.8131

>  <COMPOUND_NAME> (3,154)
WAY-304669

>  <BAR_CODE_NO> (3,154)
3907796

$$$$
WAY-304671
csChFnd80/06171916322D

 22 25  0  0  0  0  0  0  0  0999 V2000
    2.2522   -0.7102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2522    0.1173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4626   -0.9585    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.9626   -1.1206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4626    0.3691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9626    0.5277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9833   -0.2965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6764   -0.7102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2143    1.1587    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6764    0.1173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1591   -0.3033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2512    0.4070    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2512   -1.0206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0857    0.4070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6409    1.0277    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4995   -0.3033    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3857    0.6898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3029   -0.1309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1374    1.0415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9788   -0.6102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8029    0.5587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7271   -0.2585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
  5  7  2  0  0  0  0
  8 10  1  0  0  0  0
 17 18  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (3,155)
3155

>  <Formula> (3,155)
C16H9ClN2OS2

>  <MolWeight> (3,155)
344.83846

>  <COMPOUND_NAME> (3,155)
WAY-304671

>  <BAR_CODE_NO> (3,155)
3907798

$$$$
WAY-304680
csChFnd80/06171916322D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -0.0034   -0.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7103   -0.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7138   -0.6276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0034    0.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4310   -0.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7172   -1.4621    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.4310   -0.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7103    1.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4310    0.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4310   -1.8724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0034   -1.8724    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.4276    0.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1414   -0.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1448    1.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1414    1.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8552   -0.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8586    0.6207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1345    1.8517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8552    0.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  9 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  1  0  0  0  0
  8  9  2  0  0  0  0
 16 19  1  0  0  0  0
M  END
>  <Mol_ID> (3,156)
3156

>  <Formula> (3,156)
C13H16N2O4

>  <MolWeight> (3,156)
264.27714

>  <COMPOUND_NAME> (3,156)
WAY-304680

>  <BAR_CODE_NO> (3,156)
3907808

$$$$
WAY-304684
csChFnd80/06171916322D

 23 24  0  0  0  0  0  0  0  0999 V2000
   -1.5414    0.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8241   -0.0862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5414    1.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2621   -0.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1103    0.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8241   -0.9103    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2621    1.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8345    1.5690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9724    0.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6000   -0.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5345   -1.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0276   -1.1241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4138   -1.6241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9724    1.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8345    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3138    0.3276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6000   -0.9103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0345   -0.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0276   -0.9103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7379    0.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7379   -1.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4517   -0.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4517   -0.9103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
  6 13  2  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
 10 16  1  0  0  0  0
 10 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
  9 14  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (3,157)
3157

>  <Formula> (3,157)
C16H24N2O4S

>  <MolWeight> (3,157)
340.43776

>  <COMPOUND_NAME> (3,157)
WAY-304684

>  <BAR_CODE_NO> (3,157)
3907812

$$$$
WAY-304686
csChFnd80/06171916322D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -0.6187   -1.0061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8055   -1.0061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3463    0.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3463   -2.2405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5330    0.2250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5330   -2.2405    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8014    0.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8014   -2.2405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8055    1.4595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9262    0.0353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4945   -1.0061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5290    1.5077    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.5290   -3.4750    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.3434    2.7870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9710    1.0319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7055    3.2629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8434    2.4560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
  8 11  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (3,158)
3158

>  <Formula> (3,158)
C13H15Cl2NO

>  <MolWeight> (3,158)
272.1703

>  <COMPOUND_NAME> (3,158)
WAY-304686

>  <BAR_CODE_NO> (3,158)
3907816

$$$$
WAY-304687
csChFnd80/06171916322D

 24 25  0  0  0  0  0  0  0  0999 V2000
   -1.8034    0.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0897   -0.3931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8034    0.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5241   -0.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3759    0.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0897   -1.2207    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5241    1.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1000    1.2586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2379    0.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3379   -0.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8000   -1.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2931   -1.4310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6793   -1.9310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2379    0.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1000    2.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0483    0.0172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3379   -1.2207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7690   -0.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4862    0.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4828    0.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1966   -0.3828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1862    1.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9103    0.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9069    0.8552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
  6 13  2  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
 10 16  1  0  0  0  0
 10 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
  9 14  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (3,159)
3159

>  <Formula> (3,159)
C16H19N3O4S

>  <MolWeight> (3,159)
349.40476

>  <COMPOUND_NAME> (3,159)
WAY-304687

>  <BAR_CODE_NO> (3,159)
3907817

$$$$
WAY-304688
csChFnd80/06171916322D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -0.2830   -0.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0101   -0.1002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4002   -0.3588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4002    0.1481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1481    0.1412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6830   -0.4209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2209   -0.5795    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6830    0.2205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4274    0.1412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0101    0.3895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9002   -0.2416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9002    0.0412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5791    0.3895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5791   -0.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8584    0.3895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8584   -0.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9998    0.1412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
  8 12  2  0  0  0  0
  9 13  2  0  0  0  0
  9 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 11 12  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (3,160)
3160

>  <Formula> (3,160)
C14H10O3

>  <MolWeight> (3,160)
226.2274

>  <COMPOUND_NAME> (3,160)
WAY-304688

>  <BAR_CODE_NO> (3,160)
3907818

$$$$
WAY-304699
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -1.5277    0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5277   -0.2794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8277    0.7102    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1760    0.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1760   -0.6449    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8277   -0.5070    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3760    0.1033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5760    1.4206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8277    0.4792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1760    1.6102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8277   -0.2794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1760   -1.3898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1378    1.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4760    0.8551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4760   -0.6449    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6378    1.0206    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3723    2.2930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3758    1.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4102    0.3102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8758    0.6206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9102   -0.2449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6378   -0.0898    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1723   -0.6449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9240   -1.3415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8758   -0.4898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4240   -1.8898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3758   -1.0415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1723   -1.7415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6723   -2.2898    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 11 15  2  0  0  0  0
 13 16  1  0  0  0  0
 13 17  2  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  2  0  0  0  0
 26 28  2  0  0  0  0
 28 29  1  0  0  0  0
  6  7  2  0  0  0  0
  9 11  1  0  0  0  0
 21 22  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (3,161)
3161

>  <Formula> (3,161)
C19H21FN6O3

>  <MolWeight> (3,161)
400.4068432

>  <COMPOUND_NAME> (3,161)
WAY-304699

>  <BAR_CODE_NO> (3,161)
3907831

$$$$
WAY-304708
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -2.9759   -0.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9759    0.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0552   -0.7345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9138   -0.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0552    1.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9138    1.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1138   -0.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8552   -0.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1138    0.9069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0552    2.5241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8552    0.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1552   -0.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1552    1.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7862   -0.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7862    0.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7241   -0.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6655   -0.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7448   -1.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6069   -0.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6655   -2.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6069   -1.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5448   -0.1759    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.5448    0.9241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4862   -0.7138    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  9 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (3,162)
3162

>  <Formula> (3,162)
C18H15N3O3

>  <MolWeight> (3,162)
321.33

>  <COMPOUND_NAME> (3,162)
WAY-304708

>  <BAR_CODE_NO> (3,162)
3907841

$$$$
WAY-304715
csChFnd80/06171916322D

 18 21  0  0  0  0  0  0  0  0999 V2000
    0.9344    0.7144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2931    1.4695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9344   -0.7063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1620    1.4247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.7144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2517    2.8075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2828   -1.4236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1620   -1.4236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8379    2.8351    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3862    0.7144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -0.7063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7276    1.4247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2828   -2.8615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3862   -0.7063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1620   -2.8615    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.7276   -1.4236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9518    0.7144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9518   -0.7063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
 11 16  1  0  0  0  0
 12 17  2  0  0  0  0
 16 18  2  0  0  0  0
  6  9  1  0  0  0  0
  7 11  1  0  0  0  0
 10 14  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (3,163)
3163

>  <Formula> (3,163)
C14H6ClNO2

>  <MolWeight> (3,163)
255.65594

>  <COMPOUND_NAME> (3,163)
WAY-304715

>  <BAR_CODE_NO> (3,163)
3907850

$$$$
WAY-304722
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
    0.5828    0.2969    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5828   -0.5411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3103    0.7072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2034    0.5313    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2034   -0.7790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3103   -0.9480    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0345    0.2969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3103    1.5279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6655   -0.1342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4793   -1.5307    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0345   -0.5411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1448    1.5279    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.4793    1.5279    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.3103    2.3417    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5207   -0.1342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7345   -0.9480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9414    0.6037    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9414   -0.8204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4586   -0.5411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7345   -1.7687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7690    0.6037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1828   -0.9480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4586   -2.1721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1897    1.3072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1897   -0.1100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1828   -1.7687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0207    1.3279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0207   -0.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4414    0.6037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2655    0.5900    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 11 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 16 20  2  0  0  0  0
 17 21  1  0  0  0  0
 19 22  2  0  0  0  0
 20 23  1  0  0  0  0
 21 24  2  0  0  0  0
 21 25  1  0  0  0  0
 22 26  1  0  0  0  0
 24 27  1  0  0  0  0
 25 28  2  0  0  0  0
 27 29  2  0  0  0  0
 29 30  1  0  0  0  0
  5  9  1  0  0  0  0
  7 11  1  0  0  0  0
 23 26  2  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (3,164)
3164

>  <Formula> (3,164)
C19H10BrClF3N5O

>  <MolWeight> (3,164)
496.6678096

>  <COMPOUND_NAME> (3,164)
WAY-304722

>  <BAR_CODE_NO> (3,164)
3907860

$$$$
WAY-304727
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
    1.8379   -0.1383    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6379   -0.6521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9276   -0.4694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862    0.7962    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4483   -0.1901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6379   -1.6176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3552    0.2617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6379   -1.3694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8379    1.0479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5379    1.3824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2862   -0.6832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4379   -2.0901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5966    0.1962    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4483    1.9168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2655   -1.6176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0138   -0.6521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9621   -0.6935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4828   -1.4383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5448    0.0444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5345   -1.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2517    0.9617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4448   -0.2314    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4448   -1.2176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2517   -2.4073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9000    1.6686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000    1.1824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6207    2.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0345    2.1065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7000    2.8168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 17 20  2  0  0  0  0
 19 21  1  0  0  0  0
 19 22  2  0  0  0  0
 20 23  1  0  0  0  0
 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
 21 26  2  0  0  0  0
 25 27  2  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
  7  9  2  0  0  0  0
 12 15  2  0  0  0  0
 22 23  1  0  0  0  0
 28 29  2  0  0  0  0
M  END
>  <Mol_ID> (3,165)
3165

>  <Formula> (3,165)
C22H20N4O3

>  <MolWeight> (3,165)
388.4192

>  <COMPOUND_NAME> (3,165)
WAY-304727

>  <BAR_CODE_NO> (3,165)
3907867

$$$$
WAY-304733
csChFnd80/06171916322D

 20 21  0  0  0  0  0  0  0  0999 V2000
    0.0552   -0.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3483   -0.1862    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0552   -0.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4690   -0.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3483    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7552   -0.4103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3483   -1.1310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4690   -1.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4690    0.3069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8897   -0.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7552    0.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0552    0.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7552   -0.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8897    0.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7552    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0552    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1690   -1.1345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8897    1.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2931    0.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3483    1.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
  6 13  1  0  0  0  0
  9 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12 16  1  0  0  0  0
 13 17  2  0  0  0  0
 14 18  1  0  0  0  0
 14 19  1  0  0  0  0
 15 20  1  0  0  0  0
  7 13  1  0  0  0  0
 16 20  2  0  0  0  0
M  END
>  <Mol_ID> (3,166)
3166

>  <Formula> (3,166)
C15H18N2O3

>  <MolWeight> (3,166)
274.31502

>  <COMPOUND_NAME> (3,166)
WAY-304733

>  <BAR_CODE_NO> (3,166)
3907873

$$$$
WAY-304738
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -0.6897   -0.2862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4241   -0.2966    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.3276    0.6034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3276   -1.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9759   -1.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9724    0.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3759    0.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9724    1.6690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3759   -0.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9724   -2.2483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1034   -1.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4103    1.6138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0897    0.6655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3276    0.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3276   -1.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6517   -2.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6621   -0.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9724    2.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6759    1.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2897    0.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2897   -0.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7621   -2.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7759   -0.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0759    2.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2379    2.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3103   -1.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  2  0  0  0  0
  7 14  1  0  0  0  0
  9 15  1  0  0  0  0
 11 16  2  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
 12 19  1  0  0  0  0
 14 20  2  0  0  0  0
 15 21  2  0  0  0  0
 16 22  1  0  0  0  0
 17 23  2  0  0  0  0
 18 24  1  0  0  0  0
 19 25  1  0  0  0  0
 22 26  2  0  0  0  0
  7  9  2  0  0  0  0
 20 21  1  0  0  0  0
 23 26  1  0  0  0  0
M  END
>  <Mol_ID> (3,167)
3167

>  <Formula> (3,167)
C21H22N2O3

>  <MolWeight> (3,167)
350.41098

>  <COMPOUND_NAME> (3,167)
WAY-304738

>  <BAR_CODE_NO> (3,167)
3907878

$$$$
WAY-304742
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -1.4313    0.1836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3141    0.1836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1520   -0.6578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8313    0.8215    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5934   -0.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8934    0.8422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8762   -1.1785    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2934   -0.8578    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0238    0.6422    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4520   -0.8164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7520    0.6698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8762   -2.0440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3066   -0.1923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0382   -0.1578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1859   -0.3578    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5066   -1.1785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3859   -1.3164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9480   -0.6164    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7066   -2.1578    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6342    0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7721    0.3180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1721    0.9180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4238    1.1560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8342    1.7215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9687    1.8422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6342    2.6560    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
 10 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
  5  7  1  0  0  0  0
  9 13  2  0  0  0  0
 11 14  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (3,168)
3168

>  <Formula> (3,168)
C18H14ClN5OS

>  <MolWeight> (3,168)
383.85466

>  <COMPOUND_NAME> (3,168)
WAY-304742

>  <BAR_CODE_NO> (3,168)
3907885

$$$$
WAY-304746
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
    0.1905    0.1349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1905    0.8901    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8905   -0.0893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4682   -0.2272    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4682    1.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8905    1.1107    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3077    0.5107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1525   -0.8099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1095    0.1349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1095    0.8901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4682    2.0107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0698    0.5107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8836   -0.9617    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6698   -1.3651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7475   -0.2272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2905    2.0107    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2095    2.0107    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4682    2.7521    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.1077   -1.6651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3698   -0.4099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3923    0.1349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7475   -0.9893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8525   -1.8134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1077   -0.5617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0302   -0.2272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3923   -1.3651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3594   -1.2617    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0302   -0.9893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6923   -1.3893    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  2  0  0  0  0
  9 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
 11 18  1  0  0  0  0
 13 19  1  0  0  0  0
 13 20  1  0  0  0  0
 15 21  1  0  0  0  0
 15 22  2  0  0  0  0
 19 23  1  0  0  0  0
 20 24  1  0  0  0  0
 21 25  2  0  0  0  0
 22 26  1  0  0  0  0
 23 27  1  0  0  0  0
 25 28  1  0  0  0  0
 28 29  1  0  0  0  0
  6  7  2  0  0  0  0
  9 10  1  0  0  0  0
 24 27  1  0  0  0  0
 26 28  2  0  0  0  0
M  END
>  <Mol_ID> (3,169)
3169

>  <Formula> (3,169)
C19H16ClF3N4O2

>  <MolWeight> (3,169)
424.8041496

>  <COMPOUND_NAME> (3,169)
WAY-304746

>  <BAR_CODE_NO> (3,169)
3907890

$$$$
WAY-305191
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.6966    0.9345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1621    1.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6966   -0.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5759    1.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0621    0.9138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1621    2.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5759   -0.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1621   -0.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5759    2.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0621   -0.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9448    1.4138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6966    2.9345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5759   -1.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8034    0.9138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8172   -2.3069    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4379   -2.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6724    1.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2379   -3.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2379   -3.1069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3759   -1.7241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5448    0.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6552    2.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7379   -4.1241    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  2  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 16 20  2  0  0  0  0
 17 21  1  0  0  0  0
 17 22  1  0  0  0  0
 18 23  2  0  0  0  0
  8 10  1  0  0  0  0
  9 12  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (3,170)
3170

>  <Formula> (3,170)
C18H17NO2S2

>  <MolWeight> (3,170)
343.46308

>  <COMPOUND_NAME> (3,170)
WAY-305191

>  <BAR_CODE_NO> (3,170)
3908421

$$$$
WAY-305271
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
    0.8930   -0.1755    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8516    0.3763    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8930   -1.2824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0656    0.3763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8068    0.9280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4033   -0.5755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2965    1.3280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0656   -1.8341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208   -0.1755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8068    2.0349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7654    0.3763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208   -1.2824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7654    2.5866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7206    0.9280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9794   -1.8341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7206    2.0349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9346   -1.2824    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9794   -2.9375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6792    2.5866    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8932   -1.8341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6792    3.6935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8518   -1.2824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8622   -1.7272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9656   -0.1789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5967   -0.9030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0449    0.0556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
  9 12  1  0  0  0  0
 14 16  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <Mol_ID> (3,171)
3171

>  <Formula> (3,171)
C18H22N2O5S

>  <MolWeight> (3,171)
378.44268

>  <COMPOUND_NAME> (3,171)
WAY-305271

>  <BAR_CODE_NO> (3,171)
3908518

$$$$
WAY-305383
csChFnd80/06171916322D

 33 38  0  0  0  0  0  0  0  0999 V2000
   -0.4655   -0.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8207   -1.0690    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.8345    0.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3448   -0.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3034   -1.7172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6207   -1.2552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3690    1.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6345    0.6069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8034    0.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7172   -1.1172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6034   -2.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5034   -1.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2690   -0.7448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4448    1.0448    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.2828    0.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0828   -3.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0310   -2.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9966   -1.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9034    1.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0034    0.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7345   -2.9931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7034   -0.7448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7310    1.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5448    2.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7034    0.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2552   -3.6345    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1931    2.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0034    3.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0724   -3.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8241    3.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0103    2.4586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    3.6655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1552    3.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
 11 16  1  0  0  0  0
 12 17  2  0  0  0  0
 13 18  2  0  0  0  0
 14 19  1  0  0  0  0
 15 20  2  0  0  0  0
 16 21  2  0  0  0  0
 18 22  1  0  0  0  0
 19 23  2  0  0  0  0
 19 24  1  0  0  0  0
 20 25  1  0  0  0  0
 21 26  1  0  0  0  0
 23 27  1  0  0  0  0
 24 28  2  0  0  0  0
 26 29  1  0  0  0  0
 27 30  2  0  0  0  0
 27 31  1  0  0  0  0
 30 32  1  0  0  0  0
 31 33  1  0  0  0  0
  9 14  1  0  0  0  0
 13 15  1  0  0  0  0
 17 21  1  0  0  0  0
 22 25  2  0  0  0  0
 28 30  1  0  0  0  0
 32 33  1  0  0  0  0
M  END
>  <Mol_ID> (3,172)
3172

>  <Formula> (3,172)
C27H24N2O3S

>  <MolWeight> (3,172)
456.55606

>  <COMPOUND_NAME> (3,172)
WAY-305383

>  <BAR_CODE_NO> (3,172)
3908656

$$$$
WAY-383665
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.9864    0.5239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5243    0.3722    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9864    1.0136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4036    0.2826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3761   -0.0864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2450    0.7619    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5243    1.1619    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4036    1.2550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8243    0.5239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0964   -0.1864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8243    1.0136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2446   -0.6450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4239    0.1722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7239   -0.7450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0446   -0.3864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8757   -1.2174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5239   -0.4864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3446   -1.3174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6757   -0.9554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1446   -1.0554    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  8 11  2  0  0  0  0
 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 19 20  1  0  0  0  0
  6  7  2  0  0  0  0
  9 11  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (3,173)
3173

>  <Formula> (3,173)
C14H11ClN4O

>  <MolWeight> (3,173)
286.71634

>  <COMPOUND_NAME> (3,173)
WAY-383665

>  <BAR_CODE_NO> (3,173)
2545748

$$$$
WAY-383879
csChFnd80/06171916322D

 20 21  0  0  0  0  0  0  0  0999 V2000
    1.4625    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750   -2.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2875   -0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5625    1.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6667   -5.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8875   -7.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2292    5.6792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2333    4.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4250   -7.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6417    8.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9292   -2.9417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208    7.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1375   -5.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1875   -5.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9417   -3.0375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5750   -9.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -9.6042    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.6417   -9.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7917  -11.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3292  -11.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  1  1  0  0  0  0
  5 13  1  0  0  0  0
  6  5  1  0  0  0  0
  7  1  1  0  0  0  0
  8  1  2  0  0  0  0
  9  6  2  0  0  0  0
 10  7  1  0  0  0  0
 11  2  1  0  0  0  0
 12  8  1  0  0  0  0
 13 11  1  0  0  0  0
 14  2  2  0  0  0  0
 15  5  2  0  0  0  0
 16  9  1  0  0  0  0
 17 16  1  0  0  0  0
 18  6  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 12 10  2  0  0  0  0
 20 16  2  0  0  0  0
M  END
>  <Mol_ID> (3,174)
3174

>  <Formula> (3,174)
C15H11ClO4

>  <MolWeight> (3,174)
290.69844

>  <COMPOUND_NAME> (3,174)
WAY-383879

>  <BAR_CODE_NO> (3,174)
2545976

$$$$
WAY-384155
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
    1.6673   -1.1422    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0952    2.9286    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1798   -0.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2994    1.5286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1506    0.9911    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6923    0.1036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7077    2.9453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1202    0.1411    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6173    1.4536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5202    1.5661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7202    0.1536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6952    1.5078    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.4881   -1.5422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9119    0.1161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5077    4.3411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5577   -1.2339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9423   -0.8589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3506   -3.1464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2631   -1.7839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6673   -4.0672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1173   -3.3839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  2  0  0  0  0
  4 12  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  2  0  0  0  0
  8  4  2  0  0  0  0
  9  6  2  0  0  0  0
 10 11  2  0  0  0  0
 11  8  1  0  0  0  0
 12 14  1  0  0  0  0
 13  3  1  0  0  0  0
 14  6  1  0  0  0  0
 15  7  1  0  0  0  0
 16 11  1  0  0  0  0
 17 13  2  0  0  0  0
 18 13  1  0  0  0  0
 19 17  1  0  0  0  0
 20 18  2  0  0  0  0
 21 20  1  0  0  0  0
  9  5  1  0  0  0  0
 19 21  2  0  0  0  0
 10  7  1  0  0  0  0
M  END
>  <Mol_ID> (3,175)
3175

>  <Formula> (3,175)
C15H13N3OS2

>  <MolWeight> (3,175)
315.41322

>  <COMPOUND_NAME> (3,175)
WAY-384155

>  <BAR_CODE_NO> (3,175)
2546254

$$$$
WAY-384234
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
    2.2500   -2.1167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5375   -2.5292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167   -2.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000   -2.5292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8417   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000   -0.8792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9667   -1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1292   -0.4542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6667   -2.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8292   -1.3917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6125   -2.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5542   -0.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6125   -1.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8375   -1.6917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167   -1.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6875   -2.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9667   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2667   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5542    0.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4042   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6792   -0.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4042   -1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2667    0.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9792   -0.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9792    0.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3250   -2.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3250   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7000    0.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0458   -2.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0458   -1.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  8  1  0  0  0  0
  6 15  2  0  0  0  0
  7  1  1  0  0  0  0
  8 20  1  0  0  0  0
  9  1  2  0  0  0  0
 10  1  2  0  0  0  0
 11  4  1  0  0  0  0
 12  5  1  0  0  0  0
 13  6  1  0  0  0  0
 14  5  2  0  0  0  0
 15  3  1  0  0  0  0
 16  7  2  0  0  0  0
 17  7  1  0  0  0  0
 18 12  2  0  0  0  0
 19 12  1  0  0  0  0
 20 21  1  0  0  0  0
 21 17  2  0  0  0  0
 22 16  1  0  0  0  0
 23 19  2  0  0  0  0
 24 18  1  0  0  0  0
 25 23  1  0  0  0  0
 26 11  1  0  0  0  0
 27 13  1  0  0  0  0
 28 25  1  0  0  0  0
 29 26  2  0  0  0  0
 30 27  2  0  0  0  0
 20 22  2  0  0  0  0
 13 11  2  0  0  0  0
 30 29  1  0  0  0  0
 25 24  2  0  0  0  0
M  END
>  <Mol_ID> (3,176)
3176

>  <Formula> (3,176)
C22H18N4O3S

>  <MolWeight> (3,176)
418.46832

>  <COMPOUND_NAME> (3,176)
WAY-384234

>  <BAR_CODE_NO> (3,176)
2546380

$$$$
WAY-384383
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
    6.4125   -4.3167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4125   -5.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6917   -5.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6917   -3.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1292   -3.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9792   -5.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9792   -4.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6917   -6.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9125   -4.1667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1292   -3.0792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.4042   -6.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1292   -5.5667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6917   -3.0875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3917   -3.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4042   -7.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9125   -2.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1167   -8.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2667   -5.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2667   -3.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6917   -8.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8292   -7.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1167   -8.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5542   -4.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5542   -5.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6917   -8.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4042   -9.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  4  1  0  0  0  0
  8  3  2  0  0  0  0
  9  5  2  0  0  0  0
 10  5  1  0  0  0  0
 11  8  1  0  0  0  0
 12  2  2  0  0  0  0
 13  4  2  0  0  0  0
 14  9  1  0  0  0  0
 15 11  1  0  0  0  0
 16 10  1  0  0  0  0
 17 15  1  0  0  0  0
 18  6  2  0  0  0  0
 19  7  2  0  0  0  0
 20 15  2  0  0  0  0
 21 17  1  0  0  0  0
 22 17  2  0  0  0  0
 23 19  1  0  0  0  0
 24 23  2  0  0  0  0
 25 20  1  0  0  0  0
 26 25  2  0  0  0  0
 16 14  2  0  0  0  0
  3  6  1  0  0  0  0
 24 18  1  0  0  0  0
 26 22  1  0  0  0  0
M  END
>  <Mol_ID> (3,177)
3177

>  <Formula> (3,177)
C20H15N3O2S

>  <MolWeight> (3,177)
361.417

>  <COMPOUND_NAME> (3,177)
WAY-384383

>  <BAR_CODE_NO> (3,177)
2546441

$$$$
WAY-385513
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
    0.9500    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7542   -3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0417   -1.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6542    2.4333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.3542   -1.7667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7667   -5.9250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4417   -3.7875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.0667   -6.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458    1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1125    4.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4458    4.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0542   -1.9417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0750   -8.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -3.6792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3667   -4.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2375   -5.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3917   -8.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6792   -4.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6792   -6.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0292    7.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7542  -10.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8542   -5.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1667   -7.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -2.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8792   -9.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5625   -7.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5667   -9.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  5  1  0  0  0  0
  8  6  1  0  0  0  0
  9  1  2  0  0  0  0
 10  4  1  0  0  0  0
 11  9  1  0  0  0  0
 12  2  2  0  0  0  0
 13  8  2  0  0  0  0
 14  3  2  0  0  0  0
 15  8  1  0  0  0  0
 16  7  1  0  0  0  0
 17 13  1  0  0  0  0
 18 15  2  0  0  0  0
 19 18  1  0  0  0  0
 20 10  1  0  0  0  0
 21 13  1  0  0  0  0
 22 16  2  0  0  0  0
 23 16  1  0  0  0  0
 24 18  1  0  0  0  0
 25 23  2  0  0  0  0
 26 22  1  0  0  0  0
 27 25  1  0  0  0  0
 11 10  2  0  0  0  0
 26 27  2  0  0  0  0
 17 19  2  0  0  0  0
M  END
>  <Mol_ID> (3,178)
3178

>  <Formula> (3,178)
C22H21NO3S

>  <MolWeight> (3,178)
379.47204

>  <COMPOUND_NAME> (3,178)
WAY-385513

>  <BAR_CODE_NO> (3,178)
2547540

$$$$
CL-99264
csChFnd80/06171916322D

 16 18  0  0  0  0  0  0  0  0999 V2000
    0.5627    0.6295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9627    0.1537    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5627    2.0192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6511   -0.1049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1489   -0.9808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8144    1.3226    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9420    2.4916    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6511    2.7571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9097    0.6054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5523   -1.3981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9166    2.0399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2385   -2.7946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4891   -0.4291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1339   -3.2153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8546   -0.8498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1787   -2.2463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  8 11  2  0  0  0  0
 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
  6  7  2  0  0  0  0
  9 11  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <Mol_ID> (3,179)
3179

>  <Formula> (3,179)
C13H11N3

>  <MolWeight> (3,179)
209.24654

>  <COMPOUND_NAME> (3,179)
CL-99264

>  <BAR_CODE_NO> (3,179)
3910548

$$$$
WAY-133255
csChFnd80/06171916322D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -0.1322    1.5178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1364    0.6928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6469    0.4338    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1353    1.0988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6537    1.7687    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5586    1.5182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5598    0.6908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8449    0.2779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8467    1.9309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8979   -0.3521    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3427   -0.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4625   -0.7842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0174   -1.3936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7666   -2.1805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0442   -2.3545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5956   -1.7436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7040   -0.5277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3053    0.3681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  9  6  1  0  0  0  0
  4  5  2  0  0  0  0
  3 10  1  0  0  0  0
  5  1  1  0  0  0  0
 10 11  1  0  0  0  0
  1  2  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
  6  7  2  0  0  0  0
 13 14  2  0  0  0  0
  2  3  1  0  0  0  0
 14 15  1  0  0  0  0
  7  8  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  8  2  2  0  0  0  0
 10 17  2  0  0  0  0
  3  4  1  0  0  0  0
 10 18  2  0  0  0  0
M  END
>  <Mol_ID> (3,180)
3180

>  <Formula> (3,180)
C13H10N2O2S

>  <MolWeight> (3,180)
258.2957

>  <COMPOUND_NAME> (3,180)
WAY-133255

>  <BAR_CODE_NO> (3,180)
3909763

$$$$
WAY-226683
csChFnd80/06171916322D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -0.5281    0.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9005    0.6763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2202    0.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9005   -0.5996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6488    0.6763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5281    1.3245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5857   -0.5996    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5857    0.6763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6488   -0.5996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0281    0.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2202    1.3245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3374   -0.5996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7798    0.0245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7202    0.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7202   -1.2513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1626    0.6763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4512    0.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4512   -1.2513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8340   -0.5996    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
 10 13  1  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  2  0  0  0  0
 17 19  2  0  0  0  0
  9 10  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (3,181)
3181

>  <Formula> (3,181)
C14H14N2O3

>  <MolWeight> (3,181)
258.27256

>  <COMPOUND_NAME> (3,181)
WAY-226683

>  <BAR_CODE_NO> (3,181)
3910539

$$$$
WAY-233656
csChFnd80/06171916322D

 29 31  0  0  0  0  0  0  0  0999 V2000
    9.2333    6.2515    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5815    4.7478    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.6234    5.9630    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6462    3.6984    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8080    6.5576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8461    5.5084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4995    5.7970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5066    7.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0869    4.6688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1183    2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3082    3.9869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9448    4.8789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4867    7.6419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5323    5.6658    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6309    3.8295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3883    7.8518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3516    5.5084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8536    1.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8794    6.7675    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.1913    1.3464    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.4246    4.4065    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.3902    2.8942    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.0799    7.1347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0068    8.1838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3588    8.9183    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5675    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8935    7.7642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8794    3.0253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  3  1  0  0  0  0
  9  3  1  0  0  0  0
 10  4  1  0  0  0  0
 11  4  1  0  0  0  0
 12  1  2  0  0  0  0
 13  1  2  0  0  0  0
 14  2  2  0  0  0  0
 15  2  2  0  0  0  0
 16  5  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
 19  8  1  0  0  0  0
 20 10  1  0  0  0  0
 21  9  1  0  0  0  0
 22 11  1  0  0  0  0
 23 24  1  0  0  0  0
 24 16  2  0  0  0  0
 25 16  1  0  0  0  0
 26 22  1  0  0  0  0
 27 20  1  0  0  0  0
 28 19  1  0  0  0  0
 29 21  1  0  0  0  0
 17 19  1  0  0  0  0
 23  7  2  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (3,182)
3182

>  <Formula> (3,182)
C18H27ClN2O6S2

>  <MolWeight> (3,182)
466.99978

>  <COMPOUND_NAME> (3,182)
WAY-233656

>  <BAR_CODE_NO> (3,182)
3909653

$$$$
WAY-305649
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
    2.4069    0.9345    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.6931    0.5172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4793    1.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1552    0.6034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0172    0.9966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4310   -0.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2793    1.9345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7069    1.2207    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3552    0.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0172    1.8207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6069   -0.2690    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9172   -0.9414    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.1069    0.5103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1069    1.9414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4241    0.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0448    0.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8690   -0.5828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8241    0.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4724   -1.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4345   -0.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2621   -0.8828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8724   -1.4414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6931   -1.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1069   -2.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9310   -2.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3448   -2.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
  8 13  2  0  0  0  0
  8 14  2  0  0  0  0
  9 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
  7  8  1  0  0  0  0
  9 11  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (3,183)
3183

>  <Formula> (3,183)
C18H21NO4S3

>  <MolWeight> (3,183)
411.55864

>  <COMPOUND_NAME> (3,183)
WAY-305649

>  <BAR_CODE_NO> (3,183)
3908964

$$$$
WAY-305809
csChFnd80/06171916322D

 33 36  0  0  0  0  0  0  0  0999 V2000
    0.4172    1.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4172    0.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2207    1.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0586    1.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0586   -0.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2207   -0.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8655    1.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3828    2.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6966    1.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2172    2.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0586   -0.8172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2207   -0.8172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4034    1.5241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9414    0.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1034    2.1828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1172    2.6621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2586    1.5241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7793    0.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9586    2.1828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7345    2.6621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4172   -1.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5172   -1.2172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4172   -1.9276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4069   -1.9759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2207   -2.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8655   -1.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2207   -3.0379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5034   -2.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8655   -1.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1414   -1.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5034   -0.8172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1414   -1.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6828   -0.7552    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  2  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 17  2  0  0  0  0
  9 18  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
 11 21  2  0  0  0  0
 11 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 26 28  2  0  0  0  0
 26 29  1  0  0  0  0
 28 30  1  0  0  0  0
 29 31  2  0  0  0  0
 30 32  2  0  0  0  0
 32 33  1  0  0  0  0
 12 21  1  0  0  0  0
 13 15  1  0  0  0  0
 17 19  1  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <Mol_ID> (3,184)
3184

>  <Formula> (3,184)
C23H21FN4O5

>  <MolWeight> (3,184)
452.4350432

>  <COMPOUND_NAME> (3,184)
WAY-305809

>  <BAR_CODE_NO> (3,184)
3909145

$$$$
WAY-305820
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -0.3897   -1.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0103   -1.7483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1862   -1.0483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0138   -0.3586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8103   -1.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3345   -2.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5862   -0.3586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3862    0.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2621   -2.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1138   -3.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3862   -0.3517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1862    0.3379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0241    1.0276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7759    0.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7862   -1.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8483    1.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5759    0.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5862   -1.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2621    1.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2517    0.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0862    1.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0793    0.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4897    1.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    2.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3241    2.4483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0897    3.1690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  2  0  0  0  0
 16 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
  8 12  2  0  0  0  0
  9 10  1  0  0  0  0
 17 18  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (3,185)
3185

>  <Formula> (3,185)
C18H22N6O2

>  <MolWeight> (3,185)
354.40628

>  <COMPOUND_NAME> (3,185)
WAY-305820

>  <BAR_CODE_NO> (3,185)
3909158

$$$$
WAY-305857
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -2.1826    1.4967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4278    1.4967    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1826    0.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4929    2.2691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4002   -0.0275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5554    2.6001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8826   -0.7654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4929   -0.7447    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7826    1.4967    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4929    3.7725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4519   -1.0758    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0933    2.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7826   -0.0137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4929   -2.2689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0519   -2.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8623   -0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2243    3.2863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0860   -0.7654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0899   -3.5378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8968   -1.7344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7554    2.8656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5140   -3.1585    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5485   -4.1965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 13 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
  5  7  2  0  0  0  0
  9 13  1  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (3,186)
3186

>  <Formula> (3,186)
C15H24N6O2

>  <MolWeight> (3,186)
320.39006

>  <COMPOUND_NAME> (3,186)
WAY-305857

>  <BAR_CODE_NO> (3,186)
3909201

$$$$
WAY-305865
csChFnd80/06171916322D

 22 25  0  0  0  0  0  0  0  0999 V2000
    0.6621    0.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0448    0.8310    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.6552   -0.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3828    0.8241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7621    0.4310    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.2103    1.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0483   -0.8138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3724   -0.8241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7621   -0.3966    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.3655    0.9828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0276    1.7276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0897   -0.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8241    0.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4828   -0.8103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5414    0.4069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8310    1.6483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2000   -0.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4897   -1.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9241   -0.7966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2069   -2.0414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9276   -1.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
  7 10  1  0  0  0  0
  9 13  2  0  0  0  0
 11 12  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (3,187)
3187

>  <Formula> (3,187)
C18H16N2O2

>  <MolWeight> (3,187)
292.33184

>  <COMPOUND_NAME> (3,187)
WAY-305865

>  <BAR_CODE_NO> (3,187)
3909212

$$$$
WAY-306739
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -1.6069    0.4203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6069   -0.3280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8897    0.6582    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2552    0.7962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8897   -0.5556    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2552   -0.7038    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4517    0.0513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6655    1.3720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9000    0.4203    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2552    1.5444    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9000   -0.3280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2552   -1.4556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3000    0.0513    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5517    0.7962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5517   -0.7038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6724   -0.6004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4241   -0.6004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8000    0.0513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5483    0.0582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9241   -0.5901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9241    0.7099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6724   -0.5901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6724    0.7099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0483    0.0582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0483   -1.2418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  9 14  1  0  0  0  0
 11 15  2  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
  5  7  2  0  0  0  0
  9 11  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (3,188)
3188

>  <Formula> (3,188)
C17H21N5O3

>  <MolWeight> (3,188)
343.38034

>  <COMPOUND_NAME> (3,188)
WAY-306739

>  <BAR_CODE_NO> (3,188)
3910348

$$$$
WAY-306939
csChFnd80/06171916322D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -3.1657    0.9075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2450    1.4489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1657   -0.1925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1243    1.4696    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3036    0.9075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2450   -0.7304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0657    2.0075    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6657    0.5282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5657    2.4075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3036   -0.1925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3450   -0.7304    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5964   -0.1925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5343   -0.7304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5964    0.9075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4757   -0.1925    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.3964   -0.7304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3964   -1.8097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3343   -0.1925    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3136   -2.3511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2757   -0.7304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2757   -1.8097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
  6 10  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (3,189)
3189

>  <Formula> (3,189)
C13H13N3O3S2

>  <MolWeight> (3,189)
323.39062

>  <COMPOUND_NAME> (3,189)
WAY-306939

>  <BAR_CODE_NO> (3,189)
3910581

$$$$
WAY-306940-A
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -2.6694   -0.1786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6694   -0.9683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9866    0.2214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4211    0.0628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9866   -1.3545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4073   -1.2027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3073   -0.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8935   -0.5683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3073   -0.9683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6245    0.2076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0548   -0.1890    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0273   -0.2545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6790    0.1317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6790    0.9110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3549   -0.2545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3549    1.3007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0273    0.1490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0273    0.9110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6928    1.3007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3755    0.9317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (3,190)
3190

>  <Formula> (3,190)
C16H17NO3

>  <MolWeight> (3,190)
271.31108

>  <COMPOUND_NAME> (3,190)
WAY-306940-A

>  <BAR_CODE_NO> (3,190)
3910583

$$$$
WAY-306944
csChFnd80/06171916322D

 32 36  0  0  0  0  0  0  0  0999 V2000
   -1.8276   -0.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8276   -1.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4690    0.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1379    0.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4690   -2.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1379   -2.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8448   -0.1759    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.4690    2.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1379    2.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8448   -1.7069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4690   -4.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1379   -4.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5000   -1.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1552    0.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8276    2.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8448    2.8862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0138    3.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2552    1.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8276   -4.8379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5000   -4.8379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8103   -2.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1552    2.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5138   -0.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8103   -4.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5138    2.9586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8276    0.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8276    2.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5138    4.4862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2345   -0.1034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2345    2.9586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8276    5.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2828   -1.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  2  0  0  0  0
  9 17  1  0  0  0  0
  9 18  1  0  0  0  0
 11 19  2  0  0  0  0
 12 20  1  0  0  0  0
 13 21  2  0  0  0  0
 14 22  2  0  0  0  0
 14 23  1  0  0  0  0
 20 24  2  0  0  0  0
 22 25  1  0  0  0  0
 23 26  2  0  0  0  0
 25 27  2  0  0  0  0
 25 28  1  0  0  0  0
 26 29  1  0  0  0  0
 27 30  1  0  0  0  0
 28 31  1  0  0  0  0
 29 32  1  0  0  0  0
  7 10  1  0  0  0  0
  9 15  1  0  0  0  0
 12 19  1  0  0  0  0
 21 24  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (3,191)
3191

>  <Formula> (3,191)
C26H26N2O4

>  <MolWeight> (3,191)
430.49564

>  <COMPOUND_NAME> (3,191)
WAY-306944

>  <BAR_CODE_NO> (3,191)
3910592

$$$$
WAY-306947
csChFnd80/06171916322D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -1.9345    0.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5759   -1.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6138    0.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8138    1.0276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8552   -0.8103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0345   -2.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0448    1.1897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0448   -1.0897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9931    0.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8138   -3.3724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7345   -2.4517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3655    1.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0069    2.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0069    0.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3241    2.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3241    0.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9655    1.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2862    1.1897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  6 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
  5  9  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (3,192)
3192

>  <Formula> (3,192)
C11H10N4O3

>  <MolWeight> (3,192)
246.2221

>  <COMPOUND_NAME> (3,192)
WAY-306947

>  <BAR_CODE_NO> (3,192)
3910598

$$$$
WAY-306952
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -0.2793   -1.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2793   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000   -1.8759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000   -2.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000   -0.5517    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9862   -0.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9828   -1.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7103   -1.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7103   -0.7966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8000   -1.2103    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4241   -0.3828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2138   -0.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1379   -0.7897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8103    0.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1379   -1.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8483   -0.3759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2138    0.9241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9828    0.2103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8552   -2.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8000    1.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2138    2.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9759    1.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8000    3.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0345    2.3483    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.5621    2.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9759    3.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  6  9  2  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 14 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  2  0  0  0  0
 23 26  2  0  0  0  0
  5  7  1  0  0  0  0
  8  9  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (3,193)
3193

>  <Formula> (3,193)
C18H16FN3O2S2

>  <MolWeight> (3,193)
389.4669432

>  <COMPOUND_NAME> (3,193)
WAY-306952

>  <BAR_CODE_NO> (3,193)
3910608

$$$$
WAY-306955
csChFnd80/06171916322D

 22 25  0  0  0  0  0  0  0  0999 V2000
   -1.4887    0.3564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2266   -0.3126    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4749    0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8990    1.2633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1094    0.1805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2439   -1.3470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2561    0.9702    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0266   -0.6436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9128    1.1805    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4025    2.1702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9852   -0.3022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1232   -1.8436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1527    0.4874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9630   -0.5229    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0128   -1.3160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0665    0.9254    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9251    0.3185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8251   -0.6781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8286    0.7633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6389   -1.2643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6768    0.1805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5734   -0.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
 11 15  2  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
  5  9  2  0  0  0  0
 12 15  1  0  0  0  0
 13 14  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (3,194)
3194

>  <Formula> (3,194)
C17H14N4S

>  <MolWeight> (3,194)
306.38486

>  <COMPOUND_NAME> (3,194)
WAY-306955

>  <BAR_CODE_NO> (3,194)
3910613

$$$$
WAY-306964
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -0.4759   -0.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3034   -0.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0690    0.3966    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.0621   -1.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7172   -1.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7241    0.3897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7586    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4828    1.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4724   -1.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3069   -1.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5448   -1.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3069    1.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1759    1.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1793   -0.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7241   -2.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9586   -1.7517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7241    1.8276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0103   -0.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5483   -2.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4241    0.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4069    1.8483    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.2483    0.4207    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.9862    2.5586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2310    1.8552    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  2  0  0  0  0
  7 14  1  0  0  0  0
 10 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 17  2  0  0  0  0
 13 18  1  0  0  0  0
 14 19  2  0  0  0  0
 15 20  1  0  0  0  0
 18 21  2  0  0  0  0
 18 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  2  0  0  0  0
 22 25  1  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
 16 20  2  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <Mol_ID> (3,195)
3195

>  <Formula> (3,195)
C19H13ClN2O3

>  <MolWeight> (3,195)
352.77112

>  <COMPOUND_NAME> (3,195)
WAY-306964

>  <BAR_CODE_NO> (3,195)
3910628

$$$$
WAY-306970
csChFnd80/06171916322D

 20 23  0  0  0  0  0  0  0  0999 V2000
   -0.7151   -0.4605    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1297    0.6809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0531   -0.0536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2324   -1.8364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7151    1.8050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4642    1.1257    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0531    1.3946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2979   -0.7398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1676   -2.0847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1676    2.9567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4952    2.5015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2979    2.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5427   -0.0536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0987   -0.9985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6331   -3.4433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7090    3.3188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5427    1.3946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5194   -1.2709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0642   -3.7019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0021   -2.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  2  0  0  0  0
  9 15  1  0  0  0  0
 11 16  2  0  0  0  0
 12 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 19  2  0  0  0  0
 18 20  2  0  0  0  0
  5  7  1  0  0  0  0
 10 11  1  0  0  0  0
 13 17  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (3,196)
3196

>  <Formula> (3,196)
C16H13N3O

>  <MolWeight> (3,196)
263.29392

>  <COMPOUND_NAME> (3,196)
WAY-306970

>  <BAR_CODE_NO> (3,196)
3910635

$$$$
WAY-306974-A
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -1.8414    0.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414    1.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0586    0.2379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5552    0.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0586    1.5724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5552    1.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5793    0.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8034   -0.5483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2690    0.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8034    2.3586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2690    1.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2448    0.8966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0034   -0.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0034    2.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2552   -1.5103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5552    1.9241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2552    3.3241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0586   -1.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6103   -1.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3103   -2.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4172   -1.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1172   -2.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6724   -2.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4655   -2.2483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6793   -3.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
 10 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
  5  7  1  0  0  0  0
  9 11  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (3,197)
3197

>  <Formula> (3,197)
C18H20N4O3

>  <MolWeight> (3,197)
340.3764

>  <COMPOUND_NAME> (3,197)
WAY-306974-A

>  <BAR_CODE_NO> (3,197)
3910639

$$$$
WAY-306976-A
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -1.6862    0.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6862    1.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9034    0.1138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000   -0.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9034    1.4448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000    1.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4241    0.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6517   -0.6759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1172    0.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6517    2.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1172    1.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000    0.7724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1483   -0.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1483    2.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4069   -1.6379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7069    1.7966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4069    3.1966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2138   -1.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4621   -2.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7621   -1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690   -2.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5690   -1.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8241   -2.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6207   -2.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
 10 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
 23 24  1  0  0  0  0
  5  7  1  0  0  0  0
  9 11  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (3,198)
3198

>  <Formula> (3,198)
C18H20N4O2

>  <MolWeight> (3,198)
324.377

>  <COMPOUND_NAME> (3,198)
WAY-306976-A

>  <BAR_CODE_NO> (3,198)
3910641

$$$$
WAY-306979-A
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -1.4966    0.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4966    1.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7172    0.0931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2103   -0.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7172    1.4241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2103    1.5828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2310    0.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4621   -0.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9310    0.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4621    2.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9310    1.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5931    0.7483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3448   -0.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3448    2.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5931   -1.6552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7517    3.1069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4034   -1.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9552   -1.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6552   -2.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7552   -1.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4552   -2.7931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0138   -2.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
 10 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
  5  7  1  0  0  0  0
  9 11  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (3,199)
3199

>  <Formula> (3,199)
C17H19N3O2

>  <MolWeight> (3,199)
297.35166

>  <COMPOUND_NAME> (3,199)
WAY-306979-A

>  <BAR_CODE_NO> (3,199)
3910644

$$$$
WAY-306980-A
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -1.6621    0.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6621    1.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8793    0.1931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3759    0.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8793    1.5276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3759    1.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4000    0.8552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6276   -0.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0931    0.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6276    2.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0931    1.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4241    0.8517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1724   -0.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1724    2.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4310   -1.5552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5862    3.2069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2379   -1.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862   -1.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4862   -2.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5931   -1.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2931   -2.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8483   -2.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6448   -2.2931    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
 10 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
  5  7  1  0  0  0  0
  9 11  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (3,200)
3200

>  <Formula> (3,200)
C17H18FN3O2

>  <MolWeight> (3,200)
315.3421232

>  <COMPOUND_NAME> (3,200)
WAY-306980-A

>  <BAR_CODE_NO> (3,200)
3910645

$$$$
WAY-306982-A
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -1.6621    0.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6621    1.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8793    0.1931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3759    0.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8793    1.5276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3759    1.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4000    0.8552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6276   -0.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0931    0.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6276    2.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0931    1.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4241    0.8517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1724   -0.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1724    2.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4310   -1.5552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5862    3.2069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2379   -1.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862   -1.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4862   -2.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5931   -1.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2931   -2.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8483   -2.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6448   -2.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
 10 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
  5  7  1  0  0  0  0
  9 11  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (3,201)
3201

>  <Formula> (3,201)
C18H21N3O2

>  <MolWeight> (3,201)
311.37824

>  <COMPOUND_NAME> (3,201)
WAY-306982-A

>  <BAR_CODE_NO> (3,201)
3910647

$$$$
WAY-306984-A
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.2310   -0.2450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2482    0.4258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2310    1.0966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0185    0.0133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0185    0.8466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0190   -1.0367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8190   -1.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0815    0.4341    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0815   -1.9950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0190    1.8758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5315   -2.6034    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7310   -0.3950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7310    1.2550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3815   -0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2810    3.2633    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8815   -2.1659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5310    2.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4518    0.8466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4518    0.0133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1815   -0.7742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4315   -1.5534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  2  2  0  0  0  0
  9  7  2  0  0  0  0
 10  3  1  0  0  0  0
 11  9  1  0  0  0  0
 12  4  1  0  0  0  0
 13  5  1  0  0  0  0
 14  7  1  0  0  0  0
 15 17  1  0  0  0  0
 16  9  1  0  0  0  0
 17 10  1  0  0  0  0
 18 19  1  0  0  0  0
 19 12  2  0  0  0  0
 20 14  2  0  0  0  0
 21 20  1  0  0  0  0
  5  3  1  0  0  0  0
 18 13  2  0  0  0  0
 21 16  2  0  0  0  0
M  END
>  <Mol_ID> (3,202)
3202

>  <Formula> (3,202)
C16H16FN3O

>  <MolWeight> (3,202)
285.3161432

>  <COMPOUND_NAME> (3,202)
WAY-306984-A

>  <BAR_CODE_NO> (3,202)
3910649

$$$$
WAY-306991
csChFnd80/06171916322D

 22 25  0  0  0  0  0  0  0  0999 V2000
   -0.1102    0.8171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7620    0.4447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5346    0.4309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1102    1.5689    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7654   -0.3070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4102    0.8240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1760    0.8102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1829    1.5585    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4171   -0.6760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1171   -0.6829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0620    0.4551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8242    0.4344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0654   -0.2932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4171   -1.4277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4760    0.8102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8242   -0.3139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7171   -0.6691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0654   -1.8035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1242    0.4447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4760   -0.6898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7240   -1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1242   -0.3139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 21  2  0  0  0  0
 19 22  1  0  0  0  0
  7  8  1  0  0  0  0
 11 13  2  0  0  0  0
 18 21  1  0  0  0  0
 20 22  2  0  0  0  0
M  END
>  <Mol_ID> (3,203)
3203

>  <Formula> (3,203)
C19H14N2O

>  <MolWeight> (3,203)
286.32726

>  <COMPOUND_NAME> (3,203)
WAY-306991

>  <BAR_CODE_NO> (3,203)
3910658

$$$$
WAY-306995
csChFnd80/06171916322D

 30 32  0  0  0  0  0  0  0  0999 V2000
   -0.6379   -0.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0759   -0.5793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3517   -0.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6345    0.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7897   -0.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0759   -1.4034    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0724   -0.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3483    1.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5034   -0.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6379   -1.8103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9034   -1.4034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6621   -1.9862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0724    0.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2138   -0.1655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5034   -1.4034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7897    1.0862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9276   -0.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2103    0.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5034    0.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6483   -0.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9241    1.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5034   -0.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2138    1.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6379    0.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2138   -0.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9276    0.6759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3517    1.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9345   -0.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3483    1.9138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0724    0.6759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  2  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 19 23  2  0  0  0  0
 20 24  1  0  0  0  0
 22 25  2  0  0  0  0
 23 26  1  0  0  0  0
 24 27  1  0  0  0  0
 25 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 30  2  0  0  0  0
  8 13  2  0  0  0  0
 21 24  1  0  0  0  0
 26 28  2  0  0  0  0
M  END
>  <Mol_ID> (3,204)
3204

>  <Formula> (3,204)
C21H25N3O5S

>  <MolWeight> (3,204)
431.5053

>  <COMPOUND_NAME> (3,204)
WAY-306995

>  <BAR_CODE_NO> (3,204)
3910662

$$$$
WAY-307048
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    6.4795   -4.7770    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.4035   -3.7155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5890   -3.6820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0760   -4.7880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2945   -4.7880    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1740   -5.8825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1090   -2.5985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5890   -8.0940    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6980   -4.7770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4795   -6.9770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6980   -6.9770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4035   -1.5040    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -1.5040    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2075   -1.5040    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9670   -5.8825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1740   -8.0610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7960   -3.6820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7960   -8.0940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2185    0.6635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9670   -8.0940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0650   -9.1665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3495    1.7580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0615   -4.7880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0615   -6.9770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  6  1  0  0  0  0
  5  2  1  0  0  0  0
  6  5  1  0  0  0  0
  7  4  1  0  0  0  0
  8 10  1  0  0  0  0
  9  3  1  0  0  0  0
 10  1  1  0  0  0  0
 11  8  1  0  0  0  0
 12  2  2  0  0  0  0
 13  7  2  0  0  0  0
 14  7  1  0  0  0  0
 15  4  2  0  0  0  0
 16  6  2  0  0  0  0
 17  9  2  0  0  0  0
 18 11  2  0  0  0  0
 19 14  1  0  0  0  0
 20 21  2  0  0  0  0
 21 16  1  0  0  0  0
 22 19  1  0  0  0  0
 23 17  1  0  0  0  0
 24 18  1  0  0  0  0
  9 11  1  0  0  0  0
 23 24  2  0  0  0  0
 20 15  1  0  0  0  0
M  END
>  <Mol_ID> (3,205)
3205

>  <Formula> (3,205)
C18H17NO5

>  <MolWeight> (3,205)
327.33128

>  <COMPOUND_NAME> (3,205)
WAY-307048

>  <BAR_CODE_NO> (3,205)
3910720

$$$$
WAY-307050
csChFnd80/06171916322D

 18 20  0  0  0  0  0  0  0  0999 V2000
    1.4414    0.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1310   -0.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4414    0.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9621    1.3138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8138   -1.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0690    0.1138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1172   -0.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9414    1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8138   -1.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8690   -0.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000   -2.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.5379   -0.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5690   -0.2793    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2310    0.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8828    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0586    1.3138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2207    1.0724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8690    1.0345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  2  0  0  0  0
  6  8  1  0  0  0  0
  7  9  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (3,206)
3206

>  <Formula> (3,206)
C11H6ClNO4S

>  <MolWeight> (3,206)
283.68764

>  <COMPOUND_NAME> (3,206)
WAY-307050

>  <BAR_CODE_NO> (3,206)
3910723

$$$$
WAY-307052
csChFnd80/06171916322D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -0.7108   -0.1205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2236   -0.3136    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9971    0.8071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3867   -0.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1961   -0.5342    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0374   -1.2722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4374    0.6347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9557    1.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3350   -0.5998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8512    0.2071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6212    0.3209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7926    0.0071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5626    0.5416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0892   -0.9170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5719    0.5795    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8350    1.4761    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2212   -0.1584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0823   -0.8825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3443    0.0071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
  9 11  2  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (3,207)
3207

>  <Formula> (3,207)
C12H11NO5S

>  <MolWeight> (3,207)
281.28444

>  <COMPOUND_NAME> (3,207)
WAY-307052

>  <BAR_CODE_NO> (3,207)
3910727

$$$$
WAY-307054
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.4859    1.2241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6589    2.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4859   -0.2103    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6445    2.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6486    3.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8831    1.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4687   -1.6483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8583   -0.2345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0141   -0.2655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5756    3.4310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0169    1.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8520    4.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0934    2.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7727   -2.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7031   -2.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0831    3.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7900   -3.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6859   -3.7828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4445   -4.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4273   -5.9379    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  3  9  2  0  0  0  0
  4 10  2  0  0  0  0
  4 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  2  0  0  0  0
  7 14  2  0  0  0  0
  7 15  1  0  0  0  0
 12 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 18  2  0  0  0  0
 17 19  2  0  0  0  0
 19 20  1  0  0  0  0
  5 10  1  0  0  0  0
 13 16  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (3,208)
3208

>  <Formula> (3,208)
C14H11FN2O2S

>  <MolWeight> (3,208)
290.3127432

>  <COMPOUND_NAME> (3,208)
WAY-307054

>  <BAR_CODE_NO> (3,208)
3910729

$$$$
WAY-307066
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -0.7552    0.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8103    0.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2103   -0.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3103    1.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6931    0.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9310   -0.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9069   -0.4931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9552   -1.3138    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7690    1.6069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9724    2.3483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5724    1.9483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6793    0.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4448   -1.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4724    2.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5552    1.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5448   -1.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9069   -2.3690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4552    2.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0897   -0.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0897   -2.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1690   -0.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5276    0.4690    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.1897   -2.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7069   -1.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  7 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  2  0  0  0  0
 13 16  1  0  0  0  0
 13 17  2  0  0  0  0
 14 18  2  0  0  0  0
 16 19  1  0  0  0  0
 16 20  2  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
  6  8  1  0  0  0  0
 15 18  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (3,209)
3209

>  <Formula> (3,209)
C18H12FNO3S

>  <MolWeight> (3,209)
341.3561832

>  <COMPOUND_NAME> (3,209)
WAY-307066

>  <BAR_CODE_NO> (3,209)
3910743

$$$$
WAY-307067
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
    1.3655    0.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6414    0.0690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8862   -0.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.9897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0931    0.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4724   -0.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6138    0.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7138   -0.9379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2138    1.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6138    0.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2276   -0.8793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7655    0.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1862   -0.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7793   -0.3724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5138   -0.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0862   -0.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8000   -1.0241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6862   -0.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3276    0.6897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3276   -0.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0862    0.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  2  0  0  0  0
  7 13  1  0  0  0  0
 10 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
  9 12  1  0  0  0  0
 11 14  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (3,210)
3210

>  <Formula> (3,210)
C17H20N2O2

>  <MolWeight> (3,210)
284.3529

>  <COMPOUND_NAME> (3,210)
WAY-307067

>  <BAR_CODE_NO> (3,210)
3910744

$$$$
WAY-307069
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    0.0567    0.1943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0567   -0.4117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4683    0.4943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4683   -0.7117    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5757    0.4943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9933    0.1943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0947    0.1943    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9933   -0.4117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6107    0.4943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5747    1.0823    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1837    0.3383    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5727   -0.7117    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5757    1.0943    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1327    1.2953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5047    0.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4683    1.0943    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4743   -1.3117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9933   -1.6057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9933   -2.2057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5123    0.4943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5123   -0.7117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0313    0.1943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0313   -0.4117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  1  3  2  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  5  1  0  0  0  0
  8  6  2  0  0  0  0
  9  7  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
 12  2  2  0  0  0  0
 13  5  2  0  0  0  0
 14 10  1  0  0  0  0
 15 11  1  0  0  0  0
 16  3  1  0  0  0  0
 17  4  1  0  0  0  0
 18 17  1  0  0  0  0
 18 19  2  0  0  0  0
 20  6  1  0  0  0  0
 21  8  1  0  0  0  0
 20 22  2  0  0  0  0
 23 22  1  0  0  0  0
  4  8  1  0  0  0  0
 15 14  2  0  0  0  0
 23 21  2  0  0  0  0
M  END
>  <Mol_ID> (3,211)
3211

>  <Formula> (3,211)
C16H13N3O3S

>  <MolWeight> (3,211)
327.35772

>  <COMPOUND_NAME> (3,211)
WAY-307069

>  <BAR_CODE_NO> (3,211)
3910746

$$$$
WAY-307081
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.2140    1.3825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2140    2.8135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4519    0.6756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0343    0.6756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0105    3.6100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3209    3.7135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4519   -0.7589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6864    1.4135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0343   -0.7589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3933    4.9894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8416    5.0445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2140   -1.4831    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6864   -1.5141    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9312    2.1238    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2964   -1.4831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5136   -0.7589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3101   -2.9175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7826   -1.4831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5446   -3.6279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7826   -2.9175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0584   -3.6555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0584   -5.0831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 14  3  0  0  0  0
  9 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (3,212)
3212

>  <Formula> (3,212)
C17H13N3O2

>  <MolWeight> (3,212)
291.30402

>  <COMPOUND_NAME> (3,212)
WAY-307081

>  <BAR_CODE_NO> (3,212)
3910760

$$$$
WAY-307082
csChFnd80/06171916322D

 21 22  0  0  0  0  0  0  0  0999 V2000
    2.4414   -0.1621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7966    0.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4379   -0.9172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0897    0.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1483   -0.1586    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.0828   -1.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7379   -0.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4966    0.2172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1414   -0.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7345   -0.9207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1517   -0.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8034    0.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1517   -0.9069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4517   -0.1586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1034    0.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7483   -0.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1000    0.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4000    0.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7483    1.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4000    0.9690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0448    1.3414    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
  7 10  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (3,213)
3213

>  <Formula> (3,213)
C15H20FNO4

>  <MolWeight> (3,213)
297.3220032

>  <COMPOUND_NAME> (3,213)
WAY-307082

>  <BAR_CODE_NO> (3,213)
3910761

$$$$
WAY-307094
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -1.1414   -0.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9586   -0.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8828    0.4828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7172   -1.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2103    0.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3724   -1.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5483    0.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1034    0.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1310   -1.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9966    0.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9586   -1.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5069    0.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7966    0.9552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2966    0.4414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3414   -0.6207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9069   -0.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6897    0.1448    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.9414    0.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3586   -0.3345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7586    0.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0207    0.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  8 12  1  0  0  0  0
 10 13  3  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
  5  7  2  0  0  0  0
  9 11  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (3,214)
3214

>  <Formula> (3,214)
C16H17N3O2

>  <MolWeight> (3,214)
283.32508

>  <COMPOUND_NAME> (3,214)
WAY-307094

>  <BAR_CODE_NO> (3,214)
3910773

$$$$
WAY-307096
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    8.7055    7.5468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5142    7.4784    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3554    6.8226    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9670    6.2432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6831    6.6536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2910    8.2710    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0640    9.0072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4703    8.2830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4985    9.7194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2432    9.0072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0760   10.4435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5468    6.7059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8208    9.7194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2432   10.4435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3192    9.7194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9589    5.4224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3832    6.2432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    9.7194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2450    5.9455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6590    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3832    5.4144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4484    5.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  8  1  0  0  0  0
  8  6  1  0  0  0  0
  9  7  2  0  0  0  0
 10  7  1  0  0  0  0
 11  9  1  0  0  0  0
 12  3  1  0  0  0  0
 13 10  2  0  0  0  0
 14 13  1  0  0  0  0
 15  9  1  0  0  0  0
 16  4  1  0  0  0  0
 17  5  1  0  0  0  0
 18 13  1  0  0  0  0
 19 12  1  0  0  0  0
 20 16  2  0  0  0  0
 21 17  2  0  0  0  0
 22 19  1  0  0  0  0
  4  5  2  0  0  0  0
 20 21  1  0  0  0  0
 14 11  2  0  0  0  0
M  END
>  <Mol_ID> (3,215)
3215

>  <Formula> (3,215)
C18H21N3O

>  <MolWeight> (3,215)
295.37884

>  <COMPOUND_NAME> (3,215)
WAY-307096

>  <BAR_CODE_NO> (3,215)
3910775

$$$$
WAY-307097
csChFnd80/06171916322D

 22 25  0  0  0  0  0  0  0  0999 V2000
   -3.7724    0.9796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7310   -0.5204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3310    1.4589    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0448    1.7141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3310   -0.9963    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0448   -1.3066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4586    0.2313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3103    0.9796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5828   -2.2687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3103   -0.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1828    0.9796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9172    0.9796    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4069    0.9796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0552   -0.1687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0552    2.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3759   -0.1687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4069   -1.3066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3759    2.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0379    0.9796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0379   -1.3066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0552   -2.4411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3759   -2.4411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 21  2  0  0  0  0
 20 22  2  0  0  0  0
  5  7  1  0  0  0  0
  8 10  2  0  0  0  0
 18 19  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (3,216)
3216

>  <Formula> (3,216)
C19H16N2O

>  <MolWeight> (3,216)
288.34314

>  <COMPOUND_NAME> (3,216)
WAY-307097

>  <BAR_CODE_NO> (3,216)
3910777

$$$$
WAY-307098
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -3.4905    1.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4905    0.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5387    1.8724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3560    2.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5387    0.2552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3560    0.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9491    1.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2215    1.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2215    0.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9491    1.0621    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4491    0.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5509    0.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0509   -0.6690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0509    1.0621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0509   -0.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5509   -1.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5509   -1.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0509   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0509   -0.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0509   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0509   -0.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5509   -1.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  6  9  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
  5  7  2  0  0  0  0
  8  9  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (3,217)
3217

>  <Formula> (3,217)
C17H17N3OS

>  <MolWeight> (3,217)
311.40138

>  <COMPOUND_NAME> (3,217)
WAY-307098

>  <BAR_CODE_NO> (3,217)
3910779

$$$$
WAY-307100
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.9249    0.8138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3820    1.2551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3387   -0.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7456    1.9448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3820    2.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958    0.5551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4111   -1.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6766   -0.7931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9249    3.0758    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1249    1.9448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958    3.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7993    1.2551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7973   -2.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9372   -1.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7993    2.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1510   -3.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1283   -3.1242    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.8993   -2.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5303   -3.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  7 14  2  0  0  0  0
 11 15  2  0  0  0  0
 13 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 16 19  1  0  0  0  0
  5  9  1  0  0  0  0
 12 15  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (3,218)
3218

>  <Formula> (3,218)
C15H11ClN2O

>  <MolWeight> (3,218)
270.71364

>  <COMPOUND_NAME> (3,218)
WAY-307100

>  <BAR_CODE_NO> (3,218)
3910783

$$$$
WAY-307104-A
csChFnd80/06171916322D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -0.5448    0.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5448   -0.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3621    0.6483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4379    0.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4345   -0.9931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4379   -1.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0138   -0.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7621    1.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3069    0.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6621   -1.9793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3069   -0.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0138   -0.2724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1724    2.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6207   -2.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5414    3.3069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8379    2.2862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8345   -3.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
 10 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 14 17  2  0  0  0  0
  5  7  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <Mol_ID> (3,219)
3219

>  <Formula> (3,219)
C12H13N3O2

>  <MolWeight> (3,219)
231.25052

>  <COMPOUND_NAME> (3,219)
WAY-307104-A

>  <BAR_CODE_NO> (3,219)
3910788

$$$$
WAY-307112
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -2.0862   -0.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3483   -0.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6103   -0.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2379   -1.2828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9793    0.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0483   -1.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3379   -0.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4103    0.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000   -1.6552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2276    0.1931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3621    0.8448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3103   -1.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8621    0.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5379   -0.9379    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.9379    1.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1379    0.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1517   -0.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6655    1.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8897    0.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9138   -0.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2724    0.2103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0207    0.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3862    0.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -0.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1345    0.8828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1517   -0.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5207    0.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2724    0.2483    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.6379    0.8966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6621   -0.4034    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  2  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
 10 16  1  0  0  0  0
 10 17  1  0  0  0  0
 13 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
  6  9  1  0  0  0  0
 15 18  2  0  0  0  0
 20 21  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <Mol_ID> (3,220)
3220

>  <Formula> (3,220)
C21H19ClN4O4

>  <MolWeight> (3,220)
426.85296

>  <COMPOUND_NAME> (3,220)
WAY-307112

>  <BAR_CODE_NO> (3,220)
3910797

$$$$
WAY-307134
csChFnd80/06171916322D

 22 23  0  0  0  0  0  0  0  0999 V2000
    1.0000    0.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7414    0.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5897    1.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3310    1.2897    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0828    0.0138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2310   -0.6552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3931    1.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3310    0.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5690   -0.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6034    0.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9759    1.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1207    1.0517    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3862   -0.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4138    0.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7793    1.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8724   -1.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    0.7517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6966   -1.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1828   -1.8103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0000   -1.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4862   -2.3931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3310   -0.9724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  2  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
  5  8  1  0  0  0  0
 15 17  2  0  0  0  0
M  END
>  <Mol_ID> (3,221)
3221

>  <Formula> (3,221)
C15H16N2O3S2

>  <MolWeight> (3,221)
336.42914

>  <COMPOUND_NAME> (3,221)
WAY-307134

>  <BAR_CODE_NO> (3,221)
3910828

$$$$
WAY-307140
csChFnd80/06171916322D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -2.4586    0.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4586   -0.9517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5897    0.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3414    0.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5897   -1.4517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3414   -1.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7207    0.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5897    1.5897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2103    0.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7207   -0.9517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2103   -0.9517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1690    0.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1690   -1.4517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0517    0.0793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1690    1.5897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9207    0.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    0.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6690    0.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5586    0.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4310    0.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2897    0.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
 10 13  2  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <Mol_ID> (3,222)
3222

>  <Formula> (3,222)
C16H24N2O3

>  <MolWeight> (3,222)
292.37336

>  <COMPOUND_NAME> (3,222)
WAY-307140

>  <BAR_CODE_NO> (3,222)
3910835

$$$$
WAY-307142
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -1.9417   -0.3549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9417    0.4727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2382   -0.7756    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6417   -0.7756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2106    0.9210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6417    0.8934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4900   -0.3549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2382   -1.5790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3762   -0.3411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6417   -1.5756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4900    0.4727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2106    1.7244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3762    0.4727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2135   -0.7756    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9417   -1.9790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2238    0.8934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9583    0.4727    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2238    1.7244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6618    0.8934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3894    0.4727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3756   -0.3411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1100    0.8727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0894   -0.7756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8100    0.4727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8100   -0.3549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5135   -0.7756    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  2  0  0  0  0
  8 15  1  0  0  0  0
 11 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  2  0  0  0  0
 25 26  1  0  0  0  0
  7 11  1  0  0  0  0
  9 13  2  0  0  0  0
 10 15  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (3,223)
3223

>  <Formula> (3,223)
C20H17ClN2O3

>  <MolWeight> (3,223)
368.81358

>  <COMPOUND_NAME> (3,223)
WAY-307142

>  <BAR_CODE_NO> (3,223)
3910837

$$$$
WAY-307143
csChFnd80/06171916322D

 28 30  0  0  0  0  0  0  0  0999 V2000
  -10.1740    1.5660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1740   -0.7140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0910    2.7065    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
  -12.0910   -1.8040    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -14.0205   -0.7140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1815    2.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0910    4.9490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1815   -1.8545    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2020    3.9090    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -14.0205    1.5660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2100   -1.8545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2930   -0.7645    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -14.0205    6.0765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0000   -1.8545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2100   -4.1475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2020   -0.7140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3635   -1.8545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0000    4.8740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1740    6.0765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.0205    8.3320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3635   -4.1475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5540   -0.7645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0000    2.5935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1740    8.3320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0910    9.4595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4710   -1.8545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5540   -5.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4710   -4.1475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5 10  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  2  1  0  0  0  0
  9  6  3  0  0  0  0
 10  3  1  0  0  0  0
 11 16  1  0  0  0  0
 12 11  1  0  0  0  0
 13  7  1  0  0  0  0
 14  5  2  0  0  0  0
 15 11  2  0  0  0  0
 16  8  1  0  0  0  0
 17 12  1  0  0  0  0
 18 13  1  0  0  0  0
 19  7  2  0  0  0  0
 20 13  2  0  0  0  0
 21 17  2  0  0  0  0
 22 17  1  0  0  0  0
 23 18  1  0  0  0  0
 24 19  1  0  0  0  0
 25 24  2  0  0  0  0
 26 22  2  0  0  0  0
 27 21  1  0  0  0  0
 28 26  1  0  0  0  0
  5  4  1  0  0  0  0
 20 25  1  0  0  0  0
 28 27  2  0  0  0  0
M  END
>  <Mol_ID> (3,224)
3224

>  <Formula> (3,224)
C21H19N3O3S

>  <MolWeight> (3,224)
393.45886

>  <COMPOUND_NAME> (3,224)
WAY-307143

>  <BAR_CODE_NO> (3,224)
3910838

$$$$
WAY-307162
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -0.6655    0.1276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3759   -0.2862    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0483   -0.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6759    0.9517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0897   -0.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7931    0.4276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9690   -0.9966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7586    0.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0345    1.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8069   -0.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0897   -1.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7552    0.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5207   -0.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8069   -1.9483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4724    1.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5207   -1.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1862    0.9690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4690    2.2034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2310   -1.9483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9069    1.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2310   -2.7724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6172    0.9690    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.3862    1.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7069    0.1517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9310    0.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5103   -0.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
  9 12  1  0  0  0  0
 14 16  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (3,225)
3225

>  <Formula> (3,225)
C18H26N2O5S

>  <MolWeight> (3,225)
382.47444

>  <COMPOUND_NAME> (3,225)
WAY-307162

>  <BAR_CODE_NO> (3,225)
3910860

$$$$
WAY-307163
csChFnd80/06171916322D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -0.5138    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7069    0.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1345   -0.9586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1345    1.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9276    0.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7069    1.3414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7069   -1.1379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3724   -0.9586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3724    1.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4276    1.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4966   -0.9897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9724    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6276    1.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7172   -1.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2138    0.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6276    0.7517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6379   -0.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8138   -0.9586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0517   -0.9586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  8 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
  9 12  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (3,226)
3226

>  <Formula> (3,226)
C14H21NO3S

>  <MolWeight> (3,226)
283.38644

>  <COMPOUND_NAME> (3,226)
WAY-307163

>  <BAR_CODE_NO> (3,226)
3910861

$$$$
WAY-307169
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -3.0069    0.4026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0069    1.2026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3069    0.0199    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6862    0.0199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6069    1.2026    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6862    1.5992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6069    0.4026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3862    0.4026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3862    1.2026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8690   -0.0146    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1379    0.4233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5828   -0.0146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3310    0.3854    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5828   -0.8456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0655   -0.0594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8276    0.3406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0655   -0.9353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5621   -0.0974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7828   -1.3767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5655   -0.9801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2931   -1.4215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0276   -1.8594    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  6  9  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  3  0  0  0  0
  5  7  2  0  0  0  0
  8  9  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (3,227)
3227

>  <Formula> (3,227)
C16H12N4OS

>  <MolWeight> (3,227)
308.35768

>  <COMPOUND_NAME> (3,227)
WAY-307169

>  <BAR_CODE_NO> (3,227)
3910875

$$$$
WAY-307170-A
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -1.4379   -0.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9103   -0.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0897   -0.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3517    0.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0793   -0.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2897   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0517   -1.3414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7586   -0.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0000    0.9586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6103   -0.4414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7103    0.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5690    0.3586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3621   -0.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2793    0.8103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0621   -0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0103    0.4103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7276    0.8103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1276    1.9103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9207    0.8103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  8 11  2  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
  6  7  1  0  0  0  0
  9 11  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (3,228)
3228

>  <Formula> (3,228)
C16H23N3

>  <MolWeight> (3,228)
257.37392

>  <COMPOUND_NAME> (3,228)
WAY-307170-A

>  <BAR_CODE_NO> (3,228)
3910876

$$$$
WAY-307177
csChFnd80/06171916322D

 25 26  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   -0.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7103   -0.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   -1.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4345    0.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7276   -1.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4241    0.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7207    1.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7103    1.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4345   -1.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1517   -0.3655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4138    0.8517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4483   -1.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1414   -0.3655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4103    0.8655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7207    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7103    2.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8586    0.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8517    0.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5759   -0.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5759   -0.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  2  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  2  0  0  0  0
  9 18  1  0  0  0  0
 10 19  2  0  0  0  0
 11 20  1  0  0  0  0
 13 21  1  0  0  0  0
 16 22  1  0  0  0  0
 18 23  2  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
  7 11  1  0  0  0  0
 19 23  1  0  0  0  0
M  END
>  <Mol_ID> (3,229)
3229

>  <Formula> (3,229)
C19H24N2O4

>  <MolWeight> (3,229)
344.40486

>  <COMPOUND_NAME> (3,229)
WAY-307177

>  <BAR_CODE_NO> (3,229)
3910883

$$$$
WAY-307185
csChFnd80/06171916322D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -1.1828    1.0517    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.1828    1.9759    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.3966    0.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9828    0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9828    2.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3966    2.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3966   -0.3241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3966    1.0414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7793    1.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7793    1.9759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3966    1.9793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3966    3.3517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3966   -0.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3966   -1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1828   -2.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9828   -1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1828   -3.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7828   -2.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9828   -3.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7724   -3.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
  9 10  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (3,230)
3230

>  <Formula> (3,230)
C16H19NO3

>  <MolWeight> (3,230)
273.32696

>  <COMPOUND_NAME> (3,230)
WAY-307185

>  <BAR_CODE_NO> (3,230)
3910891

$$$$
WAY-307189
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -1.2483    0.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2483   -0.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5483    0.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9724    0.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5345   -1.0414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9724   -1.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1759    0.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5483    1.4414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6862    0.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1759   -0.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6862   -0.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8897    0.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3966    0.6069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9034   -1.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6034    0.2172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3966    1.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6138   -0.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3276    0.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1138    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3276   -1.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0414    0.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0414   -0.6034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7655   -1.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4897   -0.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
  7 10  1  0  0  0  0
  9 11  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (3,231)
3231

>  <Formula> (3,231)
C19H27N3O2

>  <MolWeight> (3,231)
329.43658

>  <COMPOUND_NAME> (3,231)
WAY-307189

>  <BAR_CODE_NO> (3,231)
3910896

$$$$
WAY-307202
csChFnd80/06171916322D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.7586    1.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7172   -0.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9931    1.1862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7448    2.4586    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.2276    0.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2069   -1.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8172   -0.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2448    1.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5655   -0.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2828   -2.9379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3931   -2.0241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4552   -0.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0172   -1.6241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6276    2.8241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8724   -1.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8414    0.5759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  1  0  0  0  0
  5  8  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (3,232)
3232

>  <Formula> (3,232)
C11H14N2O2S

>  <MolWeight> (3,232)
238.30606

>  <COMPOUND_NAME> (3,232)
WAY-307202

>  <BAR_CODE_NO> (3,232)
3910914

$$$$
WAY-307211
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
    0.5103   -0.3862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5103   -1.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2586    0.0448    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.3138   -0.1207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2586   -1.6862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3138   -1.5207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0138   -0.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2586    0.9138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8172   -0.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0138   -1.2483    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.5828   -2.3448    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2586    1.7793    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.3931    0.9138    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.1241    0.9138    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6828   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7655   -1.6759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1069   -0.0448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1276   -1.5483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5655   -1.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8586   -2.5345    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6621    0.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1379   -1.9483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7103   -2.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0862    1.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6414    2.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9379    1.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2172    2.8621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7759    2.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0172    2.5241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5897    1.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7655    2.9793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  2  0  0  0  0
 25 28  1  0  0  0  0
 26 29  1  0  0  0  0
 26 30  1  0  0  0  0
 29 31  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
 22 23  2  0  0  0  0
 27 29  1  0  0  0  0
M  END
>  <Mol_ID> (3,233)
3233

>  <Formula> (3,233)
C19H20ClF3N6OS

>  <MolWeight> (3,233)
472.9149096

>  <COMPOUND_NAME> (3,233)
WAY-307211

>  <BAR_CODE_NO> (3,233)
3910923

$$$$
WAY-307212
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -1.9728    1.1446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9728   -0.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9659    1.7446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9832    1.7446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9659   -0.6036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9832   -0.6036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0341    1.1446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9935    1.1446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9832    2.9032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0341   -0.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9935   -0.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0651   -0.6347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0245   -0.6347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0858   -0.0450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0963   -0.6347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0962   -0.0450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0963   -1.7968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1169   -0.6347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0962   -2.3864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1169   -1.7968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (3,234)
3234

>  <Formula> (3,234)
C17H14O3

>  <MolWeight> (3,234)
266.29126

>  <COMPOUND_NAME> (3,234)
WAY-307212

>  <BAR_CODE_NO> (3,234)
3910925

$$$$
WAY-307214
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -1.6379    0.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5724    0.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5034    1.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6517   -0.7034    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0138   -0.1793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1897    1.7724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5103    0.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6241   -1.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0966   -0.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3897    1.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6517   -0.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2586   -2.1103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6414   -1.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4241    0.8276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6724   -0.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7483   -1.1241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1103   -2.0517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5586   -0.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2966   -0.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3897   -0.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7655    0.7724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9483    0.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9138   -1.1241    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.3103    1.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4103    1.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  2  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  2  0  0  0  0
 14 18  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
  5  8  1  0  0  0  0
 15 18  2  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (3,235)
3235

>  <Formula> (3,235)
C18H13ClN2O3S

>  <MolWeight> (3,235)
372.82542

>  <COMPOUND_NAME> (3,235)
WAY-307214

>  <BAR_CODE_NO> (3,235)
3910930

$$$$
WAY-307216-A
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -3.5690   -0.3485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3207    0.0550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3759    0.7343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0862   -1.5554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3207    1.3895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1759   -0.6036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5897    1.7929    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6690    0.5791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3759   -1.7036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0414    0.0550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1724   -0.6519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1034   -0.6036    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7414   -0.7174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8483   -0.0623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9828   -0.7174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8483    1.2515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1034   -0.0278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9828   -2.0278    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.9828    1.9101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1034    1.2515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  6 10  1  0  0  0  0
  8 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
  5  7  1  0  0  0  0
  9 11  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (3,236)
3236

>  <Formula> (3,236)
C17H17FN2

>  <MolWeight> (3,236)
268.3286832

>  <COMPOUND_NAME> (3,236)
WAY-307216-A

>  <BAR_CODE_NO> (3,236)
3910932

$$$$
WAY-307217
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
    1.2207    0.2793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2207   -0.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1621    0.8793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2828    0.8069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1621   -1.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2828   -1.3828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1724    1.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6793    0.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1621   -2.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0897   -0.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1103    2.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3828    2.6172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6379    0.8069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6793   -0.8310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0897   -3.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0310   -1.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8897    3.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8207    3.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6000    0.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0310   -2.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5379    0.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6000   -0.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4793    0.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5379   -1.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4793   -0.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4379    0.8069    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -5.4379   -1.4207    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  2  0  0  0  0
  9 15  1  0  0  0  0
 10 16  2  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
 13 19  1  0  0  0  0
 15 20  2  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  2  0  0  0  0
 23 26  1  0  0  0  0
 25 27  1  0  0  0  0
 16 20  1  0  0  0  0
 17 18  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (3,237)
3237

>  <Formula> (3,237)
C20H16Cl2N2O3

>  <MolWeight> (3,237)
403.25864

>  <COMPOUND_NAME> (3,237)
WAY-307217

>  <BAR_CODE_NO> (3,237)
3910934

$$$$
WAY-307220
csChFnd80/06171916322D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -2.2005   -0.7518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0902   -0.0656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4246   -0.2793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2833   -2.0449    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0547   -0.6725    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1074    1.2379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2591   -1.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5557   -2.3862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1478    0.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2891   -0.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0995    1.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3685    0.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1926    1.9896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3374    1.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4305    2.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  2  0  0  0  0
 14 15  1  0  0  0  0
  7  8  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (3,238)
3238

>  <Formula> (3,238)
C10H10N4O

>  <MolWeight> (3,238)
202.2126

>  <COMPOUND_NAME> (3,238)
WAY-307220

>  <BAR_CODE_NO> (3,238)
3910938

$$$$
WAY-307236
csChFnd80/06171916322D

 22 23  0  0  0  0  0  0  0  0999 V2000
   -0.9690   -0.4966    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.6103   -0.1138    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.3103   -0.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9690   -1.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2517   -0.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6103    0.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3310   -0.4759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3103    0.6655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6103   -1.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2517   -1.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9690    1.0034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2517    1.0034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9690   -0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6103   -0.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9621    0.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2310   -0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6103   -1.1966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5966    0.9724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2172    0.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9897   -1.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6103    1.6931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9828    2.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
  9 10  2  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (3,239)
3239

>  <Formula> (3,239)
C16H19NO5

>  <MolWeight> (3,239)
305.32576

>  <COMPOUND_NAME> (3,239)
WAY-307236

>  <BAR_CODE_NO> (3,239)
3910958

$$$$
WAY-307243
csChFnd80/06171916322D

 20 23  0  0  0  0  0  0  0  0999 V2000
   -0.5524   -1.1681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5869   -0.4957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8869   -2.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6407   -0.8475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5179   -1.2543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7628    0.7284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0835   -2.3923    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0283   -3.2199    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9614    0.3181    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5027   -1.7337    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6697   -0.8302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9110    1.1767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1510   -2.8992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1269    0.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8593    0.3767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4338    1.7905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6752    2.7077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5683    2.2422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3303    3.7422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4683    3.4663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
  5  7  1  0  0  0  0
 10 13  1  0  0  0  0
 12 15  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (3,240)
3240

>  <Formula> (3,240)
C15H15N3OS

>  <MolWeight> (3,240)
285.3641

>  <COMPOUND_NAME> (3,240)
WAY-307243

>  <BAR_CODE_NO> (3,240)
3910969

$$$$
WAY-307246
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.8931    0.0931    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.8931    1.6345    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.2103   -0.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4276   -0.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4276    2.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2103    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5103    0.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2310   -2.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7276    0.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7276    1.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4517    3.8724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5103    1.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2103    3.9345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8310   -0.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5310   -2.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0276   -0.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8310   -2.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3517    0.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0276   -2.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6793   -0.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3276   -2.9414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6793   -2.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  6 13  2  0  0  0  0
  7 14  1  0  0  0  0
  8 15  2  0  0  0  0
  9 16  1  0  0  0  0
 14 17  2  0  0  0  0
 16 18  1  0  0  0  0
 16 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
  9 10  2  0  0  0  0
 15 17  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (3,241)
3241

>  <Formula> (3,241)
C20H18O2

>  <MolWeight> (3,241)
290.35572

>  <COMPOUND_NAME> (3,241)
WAY-307246

>  <BAR_CODE_NO> (3,241)
3910973

$$$$
WAY-307248-A
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    0.1069    1.0034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4241    0.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9310    1.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9483    1.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4138   -0.5966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4690    0.0034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2621    0.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6310    1.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8000    0.9897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9586    2.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4138   -1.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2759   -0.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6414    1.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7759    1.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0586    3.1828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8690    3.1897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4862   -2.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9759    0.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8621    2.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000   -3.1793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000   -3.6828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3931   -3.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2862   -3.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2793   -3.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  2  0  0  0  0
 11 17  1  0  0  0  0
 12 18  2  0  0  0  0
 15 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
  5  7  1  0  0  0  0
  6  9  1  0  0  0  0
 13 18  1  0  0  0  0
M  END
>  <Mol_ID> (3,242)
3242

>  <Formula> (3,242)
C18H24N4O2

>  <MolWeight> (3,242)
328.40876

>  <COMPOUND_NAME> (3,242)
WAY-307248-A

>  <BAR_CODE_NO> (3,242)
3910977

$$$$
WAY-307249
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.2706    0.4023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1982    0.1058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5018   -0.1528    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0190    1.3437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9051    0.7506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3913   -0.8425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2914    0.4023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9846    1.3437    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8292    0.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2982   -1.1425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2087    0.1058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0223   -0.5011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9225    0.7506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4018   -0.8425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9396   -0.8046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8397    0.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3087   -1.1425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6568   -0.1632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0328   -0.5011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  9 12  2  0  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
  7  8  2  0  0  0  0
 10 12  1  0  0  0  0
 17 19  2  0  0  0  0
M  END
>  <Mol_ID> (3,243)
3243

>  <Formula> (3,243)
C15H12N2O2

>  <MolWeight> (3,243)
252.26798

>  <COMPOUND_NAME> (3,243)
WAY-307249

>  <BAR_CODE_NO> (3,243)
3910978

$$$$
WAY-307254
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -1.5969    0.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8141    0.1520    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5934    1.2382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3141   -0.0031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3175    0.8279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5520   -0.6273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8141    1.4969    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3141    1.6520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0279    0.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5066    0.8279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2721   -0.6273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5555    2.2865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0313    1.2486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6859   -1.3411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5100   -1.3411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9100   -0.6273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9169   -2.0514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7342   -0.6273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5031    0.0865    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7445   -2.0514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1480   -1.3411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  2  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
  5  7  1  0  0  0  0
  9 13  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (3,244)
3244

>  <Formula> (3,244)
C16H15ClN2O2

>  <MolWeight> (3,244)
302.7555

>  <COMPOUND_NAME> (3,244)
WAY-307254

>  <BAR_CODE_NO> (3,244)
3910984

$$$$
WAY-307256
csChFnd80/06171916322D

 20 21  0  0  0  0  0  0  0  0999 V2000
    0.8071    0.1867    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8071   -1.2758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2404    0.6659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0904   -0.5425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2404   -1.7258    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4804   -2.0258    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0596    0.9450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0596    2.4450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6904    2.0867    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7596    0.2075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7596   -1.2841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3429    3.1950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9696   -1.7425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6404    0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0904    1.0659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3904   -3.1258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3429    0.1867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3429   -1.2758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0596   -2.0258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7596    3.1950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  2  1  0  0  0  0
  7 10  2  0  0  0  0
  8  7  1  0  0  0  0
  9  3  2  0  0  0  0
 10 11  1  0  0  0  0
 11  6  1  0  0  0  0
 12  8  2  0  0  0  0
 13  4  1  0  0  0  0
 14  4  1  0  0  0  0
 15 14  1  0  0  0  0
 16 13  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 11  2  0  0  0  0
 20  8  1  0  0  0  0
  5  4  1  0  0  0  0
 17  7  1  0  0  0  0
M  END
>  <Mol_ID> (3,245)
3245

>  <Formula> (3,245)
C13H14N2O4S

>  <MolWeight> (3,245)
294.32626

>  <COMPOUND_NAME> (3,245)
WAY-307256

>  <BAR_CODE_NO> (3,245)
3910987

$$$$
WAY-307260
csChFnd80/06171916322D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -1.2491   -0.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1491   -1.4862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2491    0.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3318   -1.4862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9820   -0.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3318    1.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4318   -0.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9820    0.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0820   -1.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4318    0.4241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3318    2.3138    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.5318   -1.4862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0647    1.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1820   -0.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1820    0.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2820    1.0345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2820    2.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
  7 10  1  0  0  0  0
 14 15  2  0  0  0  0
M  END
>  <Mol_ID> (3,246)
3246

>  <Formula> (3,246)
C11H10ClN3O2

>  <MolWeight> (3,246)
251.669

>  <COMPOUND_NAME> (3,246)
WAY-307260

>  <BAR_CODE_NO> (3,246)
3910991

$$$$
WAY-307267
csChFnd80/06171916322D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.5721   -0.2021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8721   -0.7396    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0445   -0.1771    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9930    0.2396    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3445    0.3604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5096   -0.0188    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4721   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9654    0.3604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0279    0.8979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8654   -0.2021    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2654   -0.1771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2654    0.8979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9555   -1.0396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2154    0.3604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8904    0.8979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5096   -0.8396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  5  2  0  0  0  0
 10 11  2  0  0  0  0
 11  8  1  0  0  0  0
 12  8  2  0  0  0  0
 13  7  1  0  0  0  0
 14 15  2  0  0  0  0
 15 12  1  0  0  0  0
 16 13  1  0  0  0  0
  7  6  2  0  0  0  0
 10 14  1  0  0  0  0
M  END
>  <Mol_ID> (3,247)
3247

>  <Formula> (3,247)
C10H10N4OS

>  <MolWeight> (3,247)
234.2776

>  <COMPOUND_NAME> (3,247)
WAY-307267

>  <BAR_CODE_NO> (3,247)
3911001

$$$$
WAY-307277
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.5997   -1.2967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1796   -0.8553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5997   -2.2277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3928   -0.8553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1796    0.0620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9589   -1.2967    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1796   -2.6656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3928   -2.6656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1756   -1.2967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9589    0.5240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5997    0.5240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9589   -2.2277    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1796   -3.5863    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1756   -2.2277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9589    1.4240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5997    1.4240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1796    1.8930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1796    2.7930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9589    3.2551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5997    3.2551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7382    2.7930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5244    3.2551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  2  0  0  0  0
 10 15  1  0  0  0  0
 11 16  2  0  0  0  0
 15 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
  7 12  1  0  0  0  0
  9 14  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (3,248)
3248

>  <Formula> (3,248)
C17H14N2O3

>  <MolWeight> (3,248)
294.30466

>  <COMPOUND_NAME> (3,248)
WAY-307277

>  <BAR_CODE_NO> (3,248)
3911013

$$$$
WAY-307369
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -1.8000   -0.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8103   -0.8793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0897    0.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5207    0.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0897   -1.2931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5207   -1.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3655   -0.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2345   -0.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3655   -0.8793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2345   -0.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3483    0.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9483    0.3655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3483   -1.2966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0621   -0.0448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3483    1.1931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9483    1.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3483   -2.1207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7793    0.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4897   -0.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7724    1.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2034    0.3586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4862    1.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2034    1.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9103   -0.0552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6276    0.3586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  2  0  0  0  0
 11 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (3,249)
3249

>  <Formula> (3,249)
C18H16N2O5

>  <MolWeight> (3,249)
340.33004

>  <COMPOUND_NAME> (3,249)
WAY-307369

>  <BAR_CODE_NO> (3,249)
3911136

$$$$
WAY-307421
csChFnd80/06171916322D

 19 20  0  0  0  0  0  0  0  0999 V2000
    6.7292   -2.5167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0125   -2.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0042   -1.2792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0125   -3.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417   -2.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2917   -3.7792    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.7250   -3.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0125   -2.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417   -3.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7250   -2.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7292   -3.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4417   -2.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1542   -2.1167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3000   -2.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8667   -2.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792   -2.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1542   -2.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4417   -3.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1542   -3.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  8  2  0  0  0  0
  5 13  1  0  0  0  0
  6  4  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9  5  1  0  0  0  0
 10  5  2  0  0  0  0
 11  1  1  0  0  0  0
 12  1  1  0  0  0  0
 13 15  1  0  0  0  0
 14  2  1  0  0  0  0
 15 16  1  0  0  0  0
 16 14  1  0  0  0  0
 17 12  1  0  0  0  0
 18 11  1  0  0  0  0
 19 17  1  0  0  0  0
 19 18  1  0  0  0  0
  7  4  1  0  0  0  0
M  END
>  <Mol_ID> (3,250)
3250

>  <Formula> (3,250)
C15H20ClNO2

>  <MolWeight> (3,250)
281.7778

>  <COMPOUND_NAME> (3,250)
WAY-307421

>  <BAR_CODE_NO> (3,250)
3911202

$$$$
WAY-307422
csChFnd80/06171916322D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -2.4379   -0.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1517    0.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4379   -0.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7276    0.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8621   -0.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1517   -1.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0069   -0.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8621   -0.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2931    0.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5793   -1.2552    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.4241   -0.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1379    0.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8483    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1310    1.2379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5621   -0.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2724    0.0069    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.0310   -0.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3586    0.8241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5828    0.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1621    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
  6  8  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (3,251)
3251

>  <Formula> (3,251)
C15H20ClNO3

>  <MolWeight> (3,251)
297.7772

>  <COMPOUND_NAME> (3,251)
WAY-307422

>  <BAR_CODE_NO> (3,251)
3911203

$$$$
WAY-307453
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -1.5241   -1.1483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5241   -2.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3552   -0.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7000   -0.3034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2793   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7724   -3.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8138    1.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0138   -0.7448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2586    1.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2724   -4.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7724   -4.7448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0379    2.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1000    2.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5172   -5.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4759    2.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5552    3.5724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3138    3.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0655    0.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7517    3.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9345    4.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    0.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3517    1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  2  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 17 19  2  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
  7  9  1  0  0  0  0
 11 14  2  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (3,252)
3252

>  <Formula> (3,252)
C18H16N2O2

>  <MolWeight> (3,252)
292.33184

>  <COMPOUND_NAME> (3,252)
WAY-307453

>  <BAR_CODE_NO> (3,252)
3911237

$$$$
WAY-307457
csChFnd80/06171916322D

 34 38  0  0  0  0  0  0  0  0999 V2000
   -0.8174    0.2587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5312   -0.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8174    1.0932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1140   -0.1447    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5312   -0.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2519    0.2587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1140    1.5035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5312    1.5035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1140   -0.9792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8174   -1.3896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2519   -1.3896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9692   -0.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1140    2.3311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5312    2.3311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8174   -2.2068    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9692   -0.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8174    2.7415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6205    2.7553    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1140   -2.6275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8174    3.5587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3343    3.1725    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1860    3.4587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0343    2.0311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5998   -2.2068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1140   -3.4585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0481    2.7587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3308   -2.6275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5998   -3.8689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7688    3.1725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3308   -3.4447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0998   -2.3585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4826    2.7587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1205   -3.6965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5998   -3.0413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 14  2  0  0  0  0
 10 15  1  0  0  0  0
 11 16  2  0  0  0  0
 13 17  2  0  0  0  0
 13 18  1  0  0  0  0
 15 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 18 22  2  0  0  0  0
 18 23  2  0  0  0  0
 19 24  1  0  0  0  0
 19 25  2  0  0  0  0
 21 26  1  0  0  0  0
 24 27  2  0  0  0  0
 25 28  1  0  0  0  0
 26 29  1  0  0  0  0
 27 30  1  0  0  0  0
 27 31  1  0  0  0  0
 29 32  1  0  0  0  0
 30 33  1  0  0  0  0
 31 34  1  0  0  0  0
  9 10  2  0  0  0  0
 12 16  1  0  0  0  0
 14 17  1  0  0  0  0
 28 30  2  0  0  0  0
 33 34  1  0  0  0  0
M  END
>  <Mol_ID> (3,253)
3253

>  <Formula> (3,253)
C24H22N4O5S

>  <MolWeight> (3,253)
478.52028

>  <COMPOUND_NAME> (3,253)
WAY-307457

>  <BAR_CODE_NO> (3,253)
3911241

$$$$
WAY-307474
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -1.3485   -0.2275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7002   -0.5999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3485    0.5311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0002   -0.5930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0416   -0.2275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7002   -1.3516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7002    0.9070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0036    0.9070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6485   -0.2275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0416    0.5311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5998   -0.5999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3485   -1.7171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7002    1.6553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6485    0.5311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6101    0.9070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0002   -1.3447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2584    0.5311    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6101    1.6553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6485   -1.7171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8998    0.9070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3002   -1.3447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5515    0.5242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1998    0.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5515   -0.2275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8515    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1964   -0.5999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8515   -0.2309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  2  0  0  0  0
 10 15  1  0  0  0  0
 12 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  2  0  0  0  0
  7 10  2  0  0  0  0
  9 14  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (3,254)
3254

>  <Formula> (3,254)
C21H23N3O3

>  <MolWeight> (3,254)
365.42562

>  <COMPOUND_NAME> (3,254)
WAY-307474

>  <BAR_CODE_NO> (3,254)
3911260

$$$$
WAY-340333
csChFnd80/06171916322D

 22 23  0  0  0  0  0  0  0  0999 V2000
    4.0667   -3.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0542   -2.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9917   -0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9792    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0042   -5.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7542   -8.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0250   -3.7417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5292  -10.6042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9417    2.9958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0167   -7.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1167   -5.4917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2417   -7.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5667  -10.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9375   -3.6667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0292   -5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0375   -8.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0917   -2.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0167    1.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792   -0.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9042    3.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9292    4.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7  1  1  0  0  0  0
  8  6  1  0  0  0  0
  9  4  1  0  0  0  0
 10  5  1  0  0  0  0
 11  1  2  0  0  0  0
 12  6  2  0  0  0  0
 13  8  1  0  0  0  0
 14 12  1  0  0  0  0
 15  5  2  0  0  0  0
 16  7  1  0  0  0  0
 17 10  1  0  0  0  0
 18  2  2  0  0  0  0
 19 20  2  0  0  0  0
 20 18  1  0  0  0  0
 21  9  1  0  0  0  0
 22  9  1  0  0  0  0
 19  4  1  0  0  0  0
 13 14  2  0  0  0  0
M  END
>  <Mol_ID> (3,255)
3255

>  <Formula> (3,255)
C16H18N2O4

>  <MolWeight> (3,255)
302.32512

>  <COMPOUND_NAME> (3,255)
WAY-340333

>  <BAR_CODE_NO> (3,255)
2550241

$$$$
WAY-340705
csChFnd80/06171916322D

 16 16  0  0  0  0  0  0  0  0999 V2000
    3.7000    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3875   -0.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7792    0.8125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5125    0.9708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8875    0.3208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0542   -0.3042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4042    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4042    0.8208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6292    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9417   -0.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6875   -0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  5  1  0  0  0  0
 10  7  1  0  0  0  0
 11  9  1  0  0  0  0
 12 10  1  0  0  0  0
 13 14  1  0  0  0  0
 14 12  1  0  0  0  0
 15 11  1  0  0  0  0
 16 13  1  0  0  0  0
  5  4  1  0  0  0  0
M  END
>  <Mol_ID> (3,256)
3256

>  <Formula> (3,256)
C10H19N5O

>  <MolWeight> (3,256)
225.29076

>  <COMPOUND_NAME> (3,256)
WAY-340705

>  <BAR_CODE_NO> (3,256)
2550203

$$$$
WAY-385377
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -1.4333    0.9708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917    0.9708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6208    2.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333    1.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917    1.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500    2.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6208    3.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8833    2.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0583    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167    3.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0625    3.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8833    3.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542    0.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6958    1.8833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2583    3.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6958    3.7708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0625    2.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0750    3.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9125    3.8750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5083    2.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5208    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667    0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6125   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4292   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917   -1.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  2  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  3  1  0  0  0  0
  8  9  1  0  0  0  0
  9  6  2  0  0  0  0
 10  7  2  0  0  0  0
 11 10  1  0  0  0  0
 12 18  1  0  0  0  0
 13  2  1  0  0  0  0
 14  8  1  0  0  0  0
 15  6  1  0  0  0  0
 16 12  1  0  0  0  0
 17 11  2  0  0  0  0
 18 15  2  0  0  0  0
 19 11  1  0  0  0  0
 20 14  1  0  0  0  0
 21 16  1  0  0  0  0
 22 13  2  0  0  0  0
 23 13  1  0  0  0  0
 24 23  2  0  0  0  0
 25 22  1  0  0  0  0
 26 24  1  0  0  0  0
  3  5  2  0  0  0  0
 12  8  2  0  0  0  0
 25 26  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (3,257)
3257

>  <Formula> (3,257)
C20H17N3O3

>  <MolWeight> (3,257)
347.36728

>  <COMPOUND_NAME> (3,257)
WAY-385377

>  <BAR_CODE_NO> (3,257)
2547785

$$$$
WAY-385382
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    4.7042   -2.8375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9917   -2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7042   -3.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9917   -4.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2792   -2.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2792   -3.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4167   -4.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875   -4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7042   -1.1792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2750   -1.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1375   -3.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5667   -2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5667   -4.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5625   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8500   -4.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1375   -2.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8500   -2.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8500   -3.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8542   -2.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5667   -3.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5667   -2.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  2  1  0  0  0  0
  8  3  1  0  0  0  0
  9  4  2  0  0  0  0
 10  7  2  0  0  0  0
 11  7  1  0  0  0  0
 12  8  1  0  0  0  0
 13  5  1  0  0  0  0
 14  6  1  0  0  0  0
 15 11  1  0  0  0  0
 16 12  2  0  0  0  0
 17 12  1  0  0  0  0
 18 13  2  0  0  0  0
 19 14  2  0  0  0  0
 20 17  2  0  0  0  0
 21 16  1  0  0  0  0
 22 20  1  0  0  0  0
  6  5  2  0  0  0  0
 19 18  1  0  0  0  0
 22 21  2  0  0  0  0
M  END
>  <Mol_ID> (3,258)
3258

>  <Formula> (3,258)
C17H14N2O3

>  <MolWeight> (3,258)
294.30466

>  <COMPOUND_NAME> (3,258)
WAY-385382

>  <BAR_CODE_NO> (3,258)
2547787

$$$$
WAY-385501
csChFnd80/06171916322D

 27 31  0  0  0  0  0  0  0  0999 V2000
    4.5792   -3.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500   -3.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8667   -3.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6042   -4.4417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9542   -4.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5292   -3.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2417   -3.8292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9750   -4.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8042   -4.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9000   -4.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2625   -5.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6667   -3.8125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.6667   -3.8042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.9167   -2.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -2.6292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6917   -5.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1167   -4.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0542   -4.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8250   -3.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5625   -5.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5500   -1.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6292   -2.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4792   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8500   -5.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9667   -1.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8875   -1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000   -1.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  7  2  0  0  0  0
  6  3  1  0  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 18  1  0  0  0  0
 10  6  1  0  0  0  0
 11  9  2  0  0  0  0
 12  2  1  0  0  0  0
 13  5  1  0  0  0  0
 14  1  1  0  0  0  0
 15  3  2  0  0  0  0
 16  8  1  0  0  0  0
 17 16  2  0  0  0  0
 18 12  1  0  0  0  0
 19  6  2  0  0  0  0
 20 10  2  0  0  0  0
 21 14  1  0  0  0  0
 22 14  2  0  0  0  0
 23 19  1  0  0  0  0
 24 23  2  0  0  0  0
 25 22  1  0  0  0  0
 26 21  2  0  0  0  0
 27 25  2  0  0  0  0
  4 10  1  0  0  0  0
 27 26  1  0  0  0  0
 24 20  1  0  0  0  0
  5  8  1  0  0  0  0
 13 17  1  0  0  0  0
M  END
>  <Mol_ID> (3,259)
3259

>  <Formula> (3,259)
C20H14N4OS2

>  <MolWeight> (3,259)
390.48136

>  <COMPOUND_NAME> (3,259)
WAY-385501

>  <BAR_CODE_NO> (3,259)
2547700

$$$$
WAY-386328
csChFnd80/06171916322D

 21 22  0  0  0  0  0  0  0  0999 V2000
    2.1064    3.6265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8032    2.4203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7016    3.6217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9334    1.2734    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5270    1.2670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2031    2.4267    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1064    1.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1239    1.2478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9143    1.2093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3175    1.2206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0144    2.4123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8015    4.8422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4223    0.0240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4031    2.4508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0271    0.0176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9903    2.4443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6968    6.0404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7176    1.2093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    6.0452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0240    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  5  3  0  0  0  0
  5  9  1  0  0  0  0
  6  3  2  0  0  0  0
  7  2  1  0  0  0  0
  8  2  2  0  0  0  0
  9 15  1  0  0  0  0
 10  7  1  0  0  0  0
 11 10  1  0  0  0  0
 12  3  1  0  0  0  0
 13  1  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 11  2  0  0  0  0
 17 11  1  0  0  0  0
 18 20  2  0  0  0  0
 19 12  1  0  0  0  0
 20 13  1  0  0  0  0
 21 19  1  0  0  0  0
 18  6  1  0  0  0  0
  9 14  2  0  0  0  0
M  END
>  <Mol_ID> (3,260)
3260

>  <Formula> (3,260)
C16H14N2O3

>  <MolWeight> (3,260)
282.29396

>  <COMPOUND_NAME> (3,260)
WAY-386328

>  <BAR_CODE_NO> (3,260)
2548393

$$$$
WAY-386628
csChFnd80/06171916322D

 30 32  0  0  0  0  0  0  0  0999 V2000
    3.2042    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3792    0.4625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.7542    2.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2292    3.5083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4125    4.1667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0500   -9.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2042   -7.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5250   -3.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6792   -1.6542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2042   -3.6667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1875    0.0333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    1.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6667   -5.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5167   -7.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5167    0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8083    3.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0500   -5.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0750    2.3333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.6792    2.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7833    4.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0667  -10.8625    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.8792  -11.7167    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.0500   -8.5375    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.2292    0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -5.6542    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.8125    0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8125    1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    4.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8083    3.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7333    6.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  2  0  0  0  0
  5  4  1  0  0  0  0
  6  7  1  0  0  0  0
  7 14  1  0  0  0  0
  8  9  1  0  0  0  0
  9 15  1  0  0  0  0
 10  8  2  0  0  0  0
 11  1  1  0  0  0  0
 12 11  1  0  0  0  0
 13  8  1  0  0  0  0
 14 13  2  0  0  0  0
 15 24  1  0  0  0  0
 16 12  2  0  0  0  0
 17 10  1  0  0  0  0
 18  3  1  0  0  0  0
 19 15  2  0  0  0  0
 20 16  1  0  0  0  0
 21  6  1  0  0  0  0
 22  6  1  0  0  0  0
 23  6  1  0  0  0  0
 24 18  1  0  0  0  0
 25 13  1  0  0  0  0
 26 12  1  0  0  0  0
 27 26  2  0  0  0  0
 28 16  1  0  0  0  0
 29 27  1  0  0  0  0
 30 20  1  0  0  0  0
  5  3  2  0  0  0  0
 29 20  2  0  0  0  0
  7 17  2  0  0  0  0
M  END
>  <Mol_ID> (3,261)
3261

>  <Formula> (3,261)
C18H15ClF3N5OS2

>  <MolWeight> (3,261)
473.9228096

>  <COMPOUND_NAME> (3,261)
WAY-386628

>  <BAR_CODE_NO> (3,261)
2548461

$$$$
WAY-386687
csChFnd80/06171916322D

 29 31  0  0  0  0  0  0  0  0999 V2000
    1.1546    0.5065    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3371   -0.1060    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5129   -0.1060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8004    1.1190    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9746    0.5107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0921    1.1190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7079   -0.7268    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2621    0.5065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1546   -0.7185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7546    0.8607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5421    0.1482    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7204   -0.4685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9579    0.2565    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2171   -0.1060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2621    1.7357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3329    1.1232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9746    1.7440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5754   -0.7060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5171   -1.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5671    0.5190    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2296   -1.3185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1629   -1.9560    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.1004    2.3565    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4204   -0.7268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3496   -1.3393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8171    2.3565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7704   -1.3393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7079   -1.9560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4204   -1.9560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  8  2  0  0  0  0
  6  4  1  0  0  0  0
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9  3  1  0  0  0  0
 10  1  2  0  0  0  0
 11  1  2  0  0  0  0
 12  2  2  0  0  0  0
 13  2  2  0  0  0  0
 14  3  2  0  0  0  0
 15  6  2  0  0  0  0
 16 17  2  0  0  0  0
 17 15  1  0  0  0  0
 18 14  1  0  0  0  0
 19  9  2  0  0  0  0
 20 14  1  0  0  0  0
 21 18  2  0  0  0  0
 22 19  1  0  0  0  0
 23 15  1  0  0  0  0
 24  7  1  0  0  0  0
 25  7  1  0  0  0  0
 26 23  1  0  0  0  0
 27 24  1  0  0  0  0
 28 25  1  0  0  0  0
 29 28  1  0  0  0  0
 19 21  1  0  0  0  0
 16  5  1  0  0  0  0
 27 29  1  0  0  0  0
M  END
>  <Mol_ID> (3,262)
3262

>  <Formula> (3,262)
C18H20Cl2N2O5S2

>  <MolWeight> (3,262)
479.3978

>  <COMPOUND_NAME> (3,262)
WAY-386687

>  <BAR_CODE_NO> (3,262)
2548548

$$$$
WAY-386854
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
    8.4590    2.5470    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6275    1.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4435    0.2817    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4660    3.9128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1421    2.7005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0672    3.9342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7898    2.1099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7840    0.7052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5467    2.6714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4174    1.5037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3930    5.1640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2228    1.4454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1926    5.1057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3464    2.7355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5223    6.3316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0021    2.7996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9827    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1196    6.3705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.1893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2086    0.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2183    2.0866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  5  1  0  0  0  0
  5  9  1  0  0  0  0
  6  4  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9 12  1  0  0  0  0
 10  5  2  0  0  0  0
 11  6  2  0  0  0  0
 12  2  1  0  0  0  0
 13  4  2  0  0  0  0
 14  6  1  0  0  0  0
 15 13  1  0  0  0  0
 16  7  2  0  0  0  0
 17  8  2  0  0  0  0
 18 15  2  0  0  0  0
 19 11  1  0  0  0  0
 20 21  2  0  0  0  0
 21 16  1  0  0  0  0
  3  8  1  0  0  0  0
 17 20  1  0  0  0  0
 11 18  1  0  0  0  0
M  END
>  <Mol_ID> (3,263)
3263

>  <Formula> (3,263)
C17H15NO2S

>  <MolWeight> (3,263)
297.3715

>  <COMPOUND_NAME> (3,263)
WAY-386854

>  <BAR_CODE_NO> (3,263)
2548716

$$$$
WAY-386933
csChFnd80/06171916322D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -1.2958    0.3833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6750   -0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8625    0.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4875   -0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6000    0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3083   -1.0917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    1.7875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0750    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2417   -1.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8292   -1.7250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.8667    0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458   -0.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4375   -1.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542   -0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  2  0  0  0  0
  8  3  2  0  0  0  0
  9  6  1  0  0  0  0
 10 14  2  0  0  0  0
 11 10  1  0  0  0  0
 12  9  1  0  0  0  0
 13  9  2  0  0  0  0
 14 13  1  0  0  0  0
 15 12  2  0  0  0  0
  5  4  2  0  0  0  0
 15 10  1  0  0  0  0
M  END
>  <Mol_ID> (3,264)
3264

>  <Formula> (3,264)
C11H8ClNO2

>  <MolWeight> (3,264)
221.63972

>  <COMPOUND_NAME> (3,264)
WAY-386933

>  <BAR_CODE_NO> (3,264)
2548962

$$$$
WAY-386970
csChFnd80/06171916322D

 23 24  0  0  0  0  0  0  0  0999 V2000
    4.6292   -3.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6292   -3.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0167   -4.2417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0167   -2.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4042   -3.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4042   -3.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2375   -2.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2417   -4.2417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.8500   -2.4542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4500   -4.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8292   -6.7167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4417   -6.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0625   -5.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0542   -6.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8375   -5.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7917   -4.2417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8292   -6.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2292   -4.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0125   -2.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6542   -6.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6667   -4.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2667   -6.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2750   -5.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  6  1  0  0  0  0
  6  4  2  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  7  3  0  0  0  0
 10 15  1  0  0  0  0
 11 12  3  0  0  0  0
 12 14  1  0  0  0  0
 13 10  1  0  0  0  0
 14 13  2  0  0  0  0
 15 18  1  0  0  0  0
 16  5  2  0  0  0  0
 17 15  2  0  0  0  0
 18  8  1  0  0  0  0
 19  4  1  0  0  0  0
 20 14  1  0  0  0  0
 21 13  1  0  0  0  0
 22 23  1  0  0  0  0
 23 21  2  0  0  0  0
  5  3  1  0  0  0  0
 22 20  2  0  0  0  0
M  END
>  <Mol_ID> (3,265)
3265

>  <Formula> (3,265)
C16H12N4O2S

>  <MolWeight> (3,265)
324.35708

>  <COMPOUND_NAME> (3,265)
WAY-386970

>  <BAR_CODE_NO> (3,265)
2548874

$$$$
WAY-387949
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
    2.8411   11.3620    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.9815    4.1173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3871    4.1173    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.5592    2.7880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2822    5.3290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1279   10.1573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6947    1.9664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7765    6.5476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8210    2.7949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0841    7.7478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7996    8.9294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0574   10.6465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5681   12.5760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1774    6.5476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6294   12.0844    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8698    5.3290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9677    6.5407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0771    5.3359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2087    5.2459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2852    2.2133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7201   10.1895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5608    0.5816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6716    7.7616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6433   13.4899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1444    0.8147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2822    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  5 16  1  0  0  0  0
  6  1  1  0  0  0  0
  7  4  2  0  0  0  0
  8 10  1  0  0  0  0
  9  3  1  0  0  0  0
 10 11  1  0  0  0  0
 11  6  2  0  0  0  0
 12  1  2  0  0  0  0
 13  1  2  0  0  0  0
 14  8  1  0  0  0  0
 15  1  1  0  0  0  0
 16 14  1  0  0  0  0
 17  5  2  0  0  0  0
 18  8  2  0  0  0  0
 19  3  1  0  0  0  0
 20  4  1  0  0  0  0
 21  6  1  0  0  0  0
 22  7  1  0  0  0  0
 23 24  1  0  0  0  0
 24 21  2  0  0  0  0
 25 15  1  0  0  0  0
 26 20  2  0  0  0  0
 27 26  1  0  0  0  0
 10 23  2  0  0  0  0
  7  9  1  0  0  0  0
 27 22  2  0  0  0  0
M  END
>  <Mol_ID> (3,266)
3266

>  <Formula> (3,266)
C19H20N2O5S

>  <MolWeight> (3,266)
388.4375

>  <COMPOUND_NAME> (3,266)
WAY-387949

>  <BAR_CODE_NO> (3,266)
2549869

$$$$
WAY-387989
csChFnd80/06171916322D

 20 23  0  0  0  0  0  0  0  0999 V2000
    4.4566   -0.8492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2525    0.6780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0676   -1.5206    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8850   -1.4351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7319    0.9545    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4703    1.6194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0012   -0.4016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1094   -0.4871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8988    1.0335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4674   -0.6056    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4674    0.6056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0012    0.4016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0676    1.5206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7319   -0.9545    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4566    0.8492    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2525   -0.6780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8850    1.4351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4703   -1.6194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1094    0.4871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8988   -1.0335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  6  9  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
  5  7  2  0  0  0  0
  8  9  1  0  0  0  0
 15 16  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (3,267)
3267

>  <Formula> (3,267)
C15H12N4S

>  <MolWeight> (3,267)
280.34758

>  <COMPOUND_NAME> (3,267)
WAY-387989

>  <BAR_CODE_NO> (3,267)
2550144

$$$$
WAY-388129
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   11.6917   -5.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2417   -4.2042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.6917   -6.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2417   -2.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8292   -6.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2542   -7.5042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8292   -5.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6000   -1.5917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1042   -0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1167   -4.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9167   -1.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4417    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3792    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3917   -7.5042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.1167   -2.5250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1250    2.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4292    3.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5542   -5.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1292   -7.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1750    5.3417    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   13.9375    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2167    1.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9625    3.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -4.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  6  1  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8  4  1  0  0  0  0
  9  8  1  0  0  0  0
 10  1  1  0  0  0  0
 11  4  2  0  0  0  0
 12 11  1  0  0  0  0
 13  9  1  0  0  0  0
 14  5  2  0  0  0  0
 15 10  2  0  0  0  0
 16 13  1  0  0  0  0
 17 16  2  0  0  0  0
 18 10  1  0  0  0  0
 19  3  1  0  0  0  0
 20 17  1  0  0  0  0
 21 13  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 18  1  0  0  0  0
  7  5  1  0  0  0  0
 12  9  2  0  0  0  0
 17 23  1  0  0  0  0
M  END
>  <Mol_ID> (3,268)
3268

>  <Formula> (3,268)
C17H15ClN2O3S

>  <MolWeight> (3,268)
362.8306

>  <COMPOUND_NAME> (3,268)
WAY-388129

>  <BAR_CODE_NO> (3,268)
2550088

$$$$
WAY-388141
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    6.9747    4.1200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0622    7.7562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3802    4.1200    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.5544    2.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2763    5.3350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7627    6.5413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7627    8.9712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6906    1.9703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8180    2.7978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1638    6.5478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0491   10.1447    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8600    5.3350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9616    6.5413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0491    5.3328    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3258    8.9647    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.6765    7.7628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2055    5.2540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2803    2.2089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5592    0.5779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7005   10.1556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.9406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1424    0.8144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2786    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  6  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6 10  1  0  0  0  0
  7  2  1  0  0  0  0
  8  4  2  0  0  0  0
  9  3  1  0  0  0  0
 10 12  1  0  0  0  0
 11  7  2  0  0  0  0
 12  5  1  0  0  0  0
 13  5  2  0  0  0  0
 14  6  2  0  0  0  0
 15  7  1  0  0  0  0
 16  2  2  0  0  0  0
 17  3  1  0  0  0  0
 18  4  1  0  0  0  0
 19  8  1  0  0  0  0
 20 21  2  0  0  0  0
 21 16  1  0  0  0  0
 22 18  2  0  0  0  0
 23 22  1  0  0  0  0
  8  9  1  0  0  0  0
 23 19  2  0  0  0  0
 11 20  1  0  0  0  0
M  END
>  <Mol_ID> (3,269)
3269

>  <Formula> (3,269)
C17H15ClN2O3

>  <MolWeight> (3,269)
330.7656

>  <COMPOUND_NAME> (3,269)
WAY-388141

>  <BAR_CODE_NO> (3,269)
2550100

$$$$
CL-408960
csChFnd80/06171916322D

 23 26  0  0  0  0  0  0  0  0999 V2000
   -2.0248   -0.1427    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.7777    0.7593    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2673   -1.0446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7823   -1.0400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2720    0.7731    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7639    0.7685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2471    2.2273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7888   -2.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7722   -0.7179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2517   -2.4988    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6811   -0.5568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7888    2.2365    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.5324   -0.5660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5186    2.0985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3359    3.4698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8288   -3.6539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7984   -1.8592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6907    3.4836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0741   -0.5614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0557    2.1077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3244   -3.3272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8380    0.7731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3796    0.7823    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  8  2  0  0  0  0
  3  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  2  0  0  0  0
  5 12  1  0  0  0  0
  6 13  2  0  0  0  0
  6 14  1  0  0  0  0
  7 15  2  0  0  0  0
  8 16  1  0  0  0  0
  9 17  2  0  0  0  0
 12 18  1  0  0  0  0
 13 19  1  0  0  0  0
 14 20  2  0  0  0  0
 16 21  2  0  0  0  0
 19 22  2  0  0  0  0
 22 23  1  0  0  0  0
  7 12  1  0  0  0  0
  8 10  1  0  0  0  0
 17 21  1  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (3,270)
3270

>  <Formula> (3,270)
C17H13ClN2O2S

>  <MolWeight> (3,270)
344.81532

>  <COMPOUND_NAME> (3,270)
CL-408960

>  <BAR_CODE_NO> (3,270)
3912236

$$$$
WAY-250605
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -0.0207    0.0274    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2690   -0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2207   -0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0207    0.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5207    0.0274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2690   -0.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4690    0.0274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2207   -0.4002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2207    0.4584    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2690    0.4584    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7586   -0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5207    0.3101    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.5207   -0.5416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4690    0.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7103   -0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7586   -0.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7103    0.4584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9586    0.0274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0103   -0.5416    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.9586    0.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  2  0  0  0  0
  7 14  2  0  0  0  0
  7 15  1  0  0  0  0
 11 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  2  0  0  0  0
  9 14  1  0  0  0  0
 13 16  1  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (3,271)
3271

>  <Formula> (3,271)
C14H8Cl2N2OS

>  <MolWeight> (3,271)
323.19712

>  <COMPOUND_NAME> (3,271)
WAY-250605

>  <BAR_CODE_NO> (3,271)
3912369

$$$$
WAY-308981
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -1.1276    0.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1897    0.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1276    1.9310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0690    0.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1897   -0.7897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7517    0.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1897    2.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0690    2.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0690   -0.7897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1276   -1.3414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7517   -1.3414    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6931    1.3793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1897    3.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0690    3.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9966   -1.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6931   -0.7897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1276    4.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9966   -2.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9379   -0.7897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6310   -1.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9379   -2.9517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8793   -1.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5621   -0.7897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6310   -2.4310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8793   -2.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5034   -1.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5621    0.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4414   -0.7897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5034    0.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4414    0.3103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  3  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 11 16  1  0  0  0  0
 13 17  1  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  2  0  0  0  0
 20 23  1  0  0  0  0
 20 24  2  0  0  0  0
 21 25  2  0  0  0  0
 23 26  1  0  0  0  0
 23 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
  9 10  2  0  0  0  0
 14 17  2  0  0  0  0
 22 25  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (3,272)
3272

>  <Formula> (3,272)
C24H21N3O2S

>  <MolWeight> (3,272)
415.50744

>  <COMPOUND_NAME> (3,272)
WAY-308981

>  <BAR_CODE_NO> (3,272)
3913006

$$$$
WAY-309149
csChFnd80/06171916322D

 22 23  0  0  0  0  0  0  0  0999 V2000
    1.5253   -0.2527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9978    0.6646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5840   -0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9909   -1.1734    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5253    1.5887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1150    0.6749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667   -0.6389    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667   -2.1009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9116   -1.7044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5805    1.5956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8505   -1.1734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8598    2.6129    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7712   -0.6389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0702    3.3715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6919   -1.1734    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0116    3.3611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6047    4.2922    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6160   -0.6389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6919   -2.2389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5367   -1.1734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6160   -2.7699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5367   -2.2389    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  7 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  1  0  0  0  0
 15 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
  6 10  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (3,273)
3273

>  <Formula> (3,273)
C14H21N3O4S

>  <MolWeight> (3,273)
327.39924

>  <COMPOUND_NAME> (3,273)
WAY-309149

>  <BAR_CODE_NO> (3,273)
3913208

$$$$
WAY-309233-A
csChFnd80/06171916322D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -0.8931    0.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1759    1.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8966   -0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6103    1.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1724    1.8621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5414    0.6207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1793   -0.6207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6103   -0.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3276    0.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5483    2.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8793    2.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5414   -0.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3276   -0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5517    3.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8759    3.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2517   -0.6276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1586    3.5138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2483   -1.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5276   -1.8621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9655   -1.8655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5207   -2.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9552   -2.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2345   -3.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2276   -3.9379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  8 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
 23 24  1  0  0  0  0
  7 12  2  0  0  0  0
  9 13  2  0  0  0  0
 15 17  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (3,274)
3274

>  <Formula> (3,274)
C18H18N4O2

>  <MolWeight> (3,274)
322.36112

>  <COMPOUND_NAME> (3,274)
WAY-309233-A

>  <BAR_CODE_NO> (3,274)
3913313

$$$$
WAY-340669
csChFnd80/06171916322D

 18 20  0  0  0  0  0  0  0  0999 V2000
    2.0333   -0.0887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9988   -0.0783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6713   -0.8990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6092    0.7561    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4816   -0.9749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4919    0.8182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6437   -0.5266    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6092    0.4734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5425   -0.9749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5425    0.8182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4437    1.1182    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0701   -0.0611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1115   -0.0611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6184    0.8251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6184   -0.9577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6632    0.8354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6460   -0.9508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1701   -0.0714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  8 11  1  0  0  0  0
  9 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
  7  8  1  0  0  0  0
 10 12  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (3,275)
3275

>  <Formula> (3,275)
C15H18N2S

>  <MolWeight> (3,275)
258.38182

>  <COMPOUND_NAME> (3,275)
WAY-340669

>  <BAR_CODE_NO> (3,275)
2550767

$$$$
WAY-340752
csChFnd80/06171916322D

 23 24  0  0  0  0  0  0  0  0999 V2000
    0.9750   -0.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542    0.7875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9542   -6.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3125    2.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9500   -2.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9750   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9833   -0.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9250  -11.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3875    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9667   -2.7292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9375   -9.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500   -4.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9750   -6.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9292   -7.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167   -4.4417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9917   -2.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9042  -13.2667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9667   -8.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9250   -9.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917    4.3542    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   12.9417  -11.5542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9792   -9.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -9.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  6  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6 12  1  0  0  0  0
  7  1  2  0  0  0  0
  8 11  1  0  0  0  0
  9  7  1  0  0  0  0
 10  5  1  0  0  0  0
 11 19  1  0  0  0  0
 12 10  1  0  0  0  0
 13  3  1  0  0  0  0
 14  3  1  0  0  0  0
 15  5  2  0  0  0  0
 16  6  2  0  0  0  0
 17  8  2  0  0  0  0
 18 13  1  0  0  0  0
 19 14  1  0  0  0  0
 20  4  1  0  0  0  0
 21  8  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
  4  9  2  0  0  0  0
 11 18  1  0  0  0  0
M  END
>  <Mol_ID> (3,276)
3276

>  <Formula> (3,276)
C15H18BrNO6

>  <MolWeight> (3,276)
388.21052

>  <COMPOUND_NAME> (3,276)
WAY-340752

>  <BAR_CODE_NO> (3,276)
2550697

$$$$
WAY-341003
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   12.9917   -4.8292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3667   -5.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0417   -6.6167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.3625   -2.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0542   -5.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0875   -6.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9167   -3.9125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5875   -4.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2500   -2.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9000   -2.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0542   -5.8042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6917   -4.8167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2625   -5.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0167   -3.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7000   -2.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6917   -3.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0417   -2.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6042   -3.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5917   -2.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9292   -2.9792    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   14.9875   -4.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0542   -6.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9667   -5.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  7  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7 14  1  0  0  0  0
  8 12  1  0  0  0  0
  9  4  1  0  0  0  0
 10  4  2  0  0  0  0
 11  8  2  0  0  0  0
 12 13  1  0  0  0  0
 13  2  1  0  0  0  0
 14  8  1  0  0  0  0
 15  9  2  0  0  0  0
 16  9  1  0  0  0  0
 17 18  1  0  0  0  0
 18 16  2  0  0  0  0
 19 15  1  0  0  0  0
 20 17  1  0  0  0  0
 21  5  2  0  0  0  0
 22  6  2  0  0  0  0
 23 24  2  0  0  0  0
 24 21  1  0  0  0  0
  6  3  1  0  0  0  0
 23 22  1  0  0  0  0
 17 19  2  0  0  0  0
M  END
>  <Mol_ID> (3,277)
3277

>  <Formula> (3,277)
C17H13ClN2O3S

>  <MolWeight> (3,277)
360.81472

>  <COMPOUND_NAME> (3,277)
WAY-341003

>  <BAR_CODE_NO> (3,277)
2551007

$$$$
WAY-341072
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
    4.3792   -4.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1667   -4.0542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6875   -5.2917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1750   -5.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3417   -4.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0500   -4.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2750   -5.8667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1667   -3.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8792   -2.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4792   -5.3167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0875   -6.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9292   -4.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8792   -1.9792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0292   -0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000   -3.2250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3167   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0292   -1.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6042   -1.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7542   -0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3167   -1.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6042   -0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8292   -3.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2292   -4.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7500    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4750   -0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167   -3.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7167   -4.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8  2  1  0  0  0  0
  9  8  1  0  0  0  0
 10 12  1  0  0  0  0
 11  7  2  0  0  0  0
 12  4  2  0  0  0  0
 13  9  1  0  0  0  0
 14 16  1  0  0  0  0
 15  9  2  0  0  0  0
 16 21  2  0  0  0  0
 17 20  1  0  0  0  0
 18 13  1  0  0  0  0
 19 14  1  0  0  0  0
 20 18  2  0  0  0  0
 21 18  1  0  0  0  0
 22  5  1  0  0  0  0
 23  6  1  0  0  0  0
 24 19  1  0  0  0  0
 25 19  1  0  0  0  0
 26 22  2  0  0  0  0
 27 23  2  0  0  0  0
  5  6  2  0  0  0  0
 10 11  1  0  0  0  0
 26 27  1  0  0  0  0
 17 14  2  0  0  0  0
M  END
>  <Mol_ID> (3,278)
3278

>  <Formula> (3,278)
C21H20N4OS

>  <MolWeight> (3,278)
376.4747

>  <COMPOUND_NAME> (3,278)
WAY-341072

>  <BAR_CODE_NO> (3,278)
2551308

$$$$
WAY-341327
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    3.7045    8.4909    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1056    8.4909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5485    9.2686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8283    7.2737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2417    7.0835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9816    3.6453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1563    6.0290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4032    8.4529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3054    2.4027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7944    9.7081    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2610    4.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8723    7.0835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8769    4.8287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8600    2.4196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1563    3.5946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3785    3.6770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0323    1.2172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3858   10.6591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1437    9.0467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1012    2.5147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3730    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0989   11.2529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.4097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6 11  2  0  0  0  0
  7  4  2  0  0  0  0
  8  3  1  0  0  0  0
  9 14  2  0  0  0  0
 10  2  2  0  0  0  0
 11 13  1  0  0  0  0
 12  5  1  0  0  0  0
 13  7  1  0  0  0  0
 14 15  1  0  0  0  0
 15 13  2  0  0  0  0
 16  6  1  0  0  0  0
 17  9  1  0  0  0  0
 18  3  2  0  0  0  0
 19  8  2  0  0  0  0
 20 16  1  0  0  0  0
 21 17  1  0  0  0  0
 22 18  1  0  0  0  0
 23 22  2  0  0  0  0
 12  8  1  0  0  0  0
 19 23  1  0  0  0  0
  9  6  1  0  0  0  0
M  END
>  <Mol_ID> (3,279)
3279

>  <Formula> (3,279)
C19H19NO3

>  <MolWeight> (3,279)
309.35906

>  <COMPOUND_NAME> (3,279)
WAY-341327

>  <BAR_CODE_NO> (3,279)
2551357

$$$$
WAY-341384
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
    5.3292   -4.1167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5542   -3.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7250   -4.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2250   -3.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6417   -4.3042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1167   -2.8917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2792   -5.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4375   -4.7417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7792   -5.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6125   -5.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1875   -2.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5000   -2.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5375   -5.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3750   -6.0417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9375   -4.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8792   -6.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0292   -5.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6875   -4.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6292   -6.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7792   -5.5292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0042   -5.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6875   -1.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3125   -1.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1375   -6.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8167   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5042   -1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  2  0  0  0  0
  8  3  1  0  0  0  0
  9  8  1  0  0  0  0
 10  5  2  0  0  0  0
 11  4  1  0  0  0  0
 12  6  1  0  0  0  0
 13  9  1  0  0  0  0
 14  9  2  0  0  0  0
 15 13  1  0  0  0  0
 16 13  2  0  0  0  0
 17 19  2  0  0  0  0
 18 15  2  0  0  0  0
 19 16  1  0  0  0  0
 20 17  1  0  0  0  0
 21 10  1  0  0  0  0
 22 11  1  0  0  0  0
 23 12  1  0  0  0  0
 24 20  1  0  0  0  0
 25 23  2  0  0  0  0
 26 22  2  0  0  0  0
 10  7  1  0  0  0  0
 12 11  2  0  0  0  0
 26 25  1  0  0  0  0
 18 17  1  0  0  0  0
M  END
>  <Mol_ID> (3,280)
3280

>  <Formula> (3,280)
C19H17N5O2

>  <MolWeight> (3,280)
347.37058

>  <COMPOUND_NAME> (3,280)
WAY-341384

>  <BAR_CODE_NO> (3,280)
2551997

$$$$
WAY-341447
csChFnd80/06171916322D

 22 25  0  0  0  0  0  0  0  0999 V2000
   11.3667   -8.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4792   -9.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2875  -11.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5250  -10.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0167   -8.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4500   -7.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3292   -7.7042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6667   -8.7917    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   14.2250   -7.7917    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.7667  -10.9667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4125   -9.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8667  -10.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5042  -13.4667    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.4375   -7.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6167   -7.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4875   -6.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4875   -9.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5542   -6.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5542   -9.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125   -7.7042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2375   -6.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  6  1  0  0  0  0
 10  2  2  0  0  0  0
 11  9  1  0  0  0  0
 12  8  1  0  0  0  0
 13  9  1  0  0  0  0
 14  3  1  0  0  0  0
 15  7  1  0  0  0  0
 16 20  1  0  0  0  0
 17 15  2  0  0  0  0
 18 15  1  0  0  0  0
 19 17  1  0  0  0  0
 20 18  2  0  0  0  0
 21 16  1  0  0  0  0
 22 21  1  0  0  0  0
  8 13  1  0  0  0  0
 11  3  1  0  0  0  0
 12  3  1  0  0  0  0
 16 19  2  0  0  0  0
M  END
>  <Mol_ID> (3,281)
3281

>  <Formula> (3,281)
C18H21ClO3

>  <MolWeight> (3,281)
320.81054

>  <COMPOUND_NAME> (3,281)
WAY-341447

>  <BAR_CODE_NO> (3,281)
2551381

$$$$
WAY-341644
csChFnd80/06171916322D

 28 30  0  0  0  0  0  0  0  0999 V2000
   12.3292   -5.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5042   -4.9792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2042   -6.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6375   -3.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0917   -1.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2042   -0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4042   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5792   -1.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1542   -3.2917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2542   -8.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9167   -1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    1.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8042   -3.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333    4.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708    6.1042    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4167    3.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3125    1.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5167    4.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2333    3.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2792   -3.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0375   -6.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4167   -8.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1167   -9.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1125   -3.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -5.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4792   -9.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1667  -11.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3542  -11.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5 11  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  4  2  0  0  0  0
  9  5  2  0  0  0  0
 10  3  1  0  0  0  0
 11 13  1  0  0  0  0
 12  7  1  0  0  0  0
 13  4  1  0  0  0  0
 14 19  2  0  0  0  0
 15 14  1  0  0  0  0
 16 12  1  0  0  0  0
 17 12  2  0  0  0  0
 18 16  2  0  0  0  0
 19 17  1  0  0  0  0
 20  1  1  0  0  0  0
 21  3  1  0  0  0  0
 22 10  2  0  0  0  0
 23 10  1  0  0  0  0
 24 20  2  0  0  0  0
 25 24  1  0  0  0  0
 26 22  1  0  0  0  0
 27 23  2  0  0  0  0
 28 27  1  0  0  0  0
 21 25  2  0  0  0  0
 26 28  2  0  0  0  0
 18 14  1  0  0  0  0
M  END
>  <Mol_ID> (3,282)
3282

>  <Formula> (3,282)
C23H18FNO3

>  <MolWeight> (3,282)
375.3923232

>  <COMPOUND_NAME> (3,282)
WAY-341644

>  <BAR_CODE_NO> (3,282)
2551586

$$$$
WAY-341882
csChFnd80/06171916322D

 32 35  0  0  0  0  0  0  0  0999 V2000
    6.9917   -3.3792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3292   -4.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3292   -2.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2625   -2.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2625   -3.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1125   -3.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3625   -5.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3000  -11.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6750   -4.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7917   -4.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6792   -5.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6792   -1.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8292  -10.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1542   -6.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7292   -7.1375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4667   -5.2667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8042   -6.2667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3042   -8.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6792   -5.2250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0375   -6.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3667   -9.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7917   -9.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6667   -2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2875   -4.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2875   -2.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3542   -3.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7875   -2.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4125   -8.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4792   -9.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3167   -3.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3167   -2.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7 10  1  0  0  0  0
  8 13  3  0  0  0  0
  9  6  2  0  0  0  0
 10  9  1  0  0  0  0
 11  2  2  0  0  0  0
 12  3  2  0  0  0  0
 13 21  1  0  0  0  0
 14 20  1  0  0  0  0
 15 14  1  0  0  0  0
 16  7  1  0  0  0  0
 17  7  2  0  0  0  0
 18 15  1  0  0  0  0
 19 14  2  0  0  0  0
 20 16  1  0  0  0  0
 21 22  2  0  0  0  0
 22 18  1  0  0  0  0
 23  6  1  0  0  0  0
 24  5  2  0  0  0  0
 25  4  2  0  0  0  0
 26 27  1  0  0  0  0
 27 23  2  0  0  0  0
 28 29  1  0  0  0  0
 29 18  2  0  0  0  0
 30 28  2  0  0  0  0
 31 24  1  0  0  0  0
 32 25  1  0  0  0  0
  4  5  1  0  0  0  0
 10 26  2  0  0  0  0
 32 31  2  0  0  0  0
 21 30  1  0  0  0  0
M  END
>  <Mol_ID> (3,283)
3283

>  <Formula> (3,283)
C24H15N3O5

>  <MolWeight> (3,283)
425.393

>  <COMPOUND_NAME> (3,283)
WAY-341882

>  <BAR_CODE_NO> (3,283)
2551883

$$$$
WAY-345727
csChFnd80/06171916322D

 28 30  0  0  0  0  0  0  0  0999 V2000
   11.1375   -9.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3375   -9.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5167   -8.7250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.7417   -9.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1625  -10.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1292   -8.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9542  -10.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9167   -8.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3417   -6.7625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5542  -10.8125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6125   -5.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3750   -8.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0750   -7.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0375   -4.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7917   -7.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4792   -6.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7917  -11.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7125   -7.6042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7625   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8917   -4.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9417   -9.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -11.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9167   -7.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3125   -3.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3250   -5.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875   -5.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1792   -3.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6042   -4.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  2  0  0  0  0
  7  2  2  0  0  0  0
  8  2  1  0  0  0  0
  9 16  1  0  0  0  0
 10  1  2  0  0  0  0
 11 19  1  0  0  0  0
 12  3  1  0  0  0  0
 13  3  1  0  0  0  0
 14 11  2  0  0  0  0
 15 12  1  0  0  0  0
 16 13  1  0  0  0  0
 17  5  1  0  0  0  0
 18  6  1  0  0  0  0
 19  9  1  0  0  0  0
 20 14  1  0  0  0  0
 21  4  1  0  0  0  0
 22 17  1  0  0  0  0
 23 18  1  0  0  0  0
 24 20  1  0  0  0  0
 25 20  2  0  0  0  0
 26 25  1  0  0  0  0
 27 24  2  0  0  0  0
 28 26  2  0  0  0  0
 15  9  1  0  0  0  0
  5  4  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (3,284)
3284

>  <Formula> (3,284)
C23H28N2O3

>  <MolWeight> (3,284)
380.48002

>  <COMPOUND_NAME> (3,284)
WAY-345727

>  <BAR_CODE_NO> (3,284)
2556110

$$$$
WAY-345922
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
    7.8542   -5.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7250   -5.9625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8500   -3.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8667   -4.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5792   -5.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1042   -3.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5750   -3.9917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7167   -3.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1000   -5.7125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.1417   -4.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4167   -7.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3000   -5.6792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7167   -2.0250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3417   -4.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5042   -2.3292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9542   -3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1542   -7.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4042   -4.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5000   -6.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7792   -5.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7125   -6.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6250   -4.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.3417    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.3792   -8.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1917   -6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8667   -8.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0917   -9.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8375   -9.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  9  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  8  1  0  0  0  0
  8  3  1  0  0  0  0
  9  1  1  0  0  0  0
 10  4  1  0  0  0  0
 11  2  1  0  0  0  0
 12  5  2  0  0  0  0
 13  8  2  0  0  0  0
 14 10  1  0  0  0  0
 15  6  1  0  0  0  0
 16 10  2  0  0  0  0
 17 11  2  0  0  0  0
 18 14  1  0  0  0  0
 19 14  2  0  0  0  0
 20 21  2  0  0  0  0
 21 19  1  0  0  0  0
 22 18  2  0  0  0  0
 23 20  1  0  0  0  0
 24 11  1  0  0  0  0
 25 17  1  0  0  0  0
 26 17  1  0  0  0  0
 27 24  2  0  0  0  0
 28 27  1  0  0  0  0
  6  4  2  0  0  0  0
  7  5  1  0  0  0  0
 28 26  2  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (3,285)
3285

>  <Formula> (3,285)
C20H14ClN3O3S

>  <MolWeight> (3,285)
411.86146

>  <COMPOUND_NAME> (3,285)
WAY-345922

>  <BAR_CODE_NO> (3,285)
2557568

$$$$
WAY-346082
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
    9.3542   -7.3167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7000   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1667   -7.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7375   -5.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7875   -6.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0500   -8.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2625   -8.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8292   -5.8042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4792   -8.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7667   -4.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5750   -5.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0042   -9.0792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7417   -6.9667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1625   -8.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2917  -11.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8667   -9.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -12.6292    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.7292  -10.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1417  -11.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0292   -9.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4375  -10.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7542   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8125   -3.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1917   -4.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8000   -6.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8417   -2.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0417   -3.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6292   -5.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7875   -2.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8292   -1.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2542   -4.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  2  2  0  0  0  0
  9  3  2  0  0  0  0
 10  4  1  0  0  0  0
 11  4  1  0  0  0  0
 12  7  1  0  0  0  0
 13  7  2  0  0  0  0
 14 12  1  0  0  0  0
 15 19  2  0  0  0  0
 16 14  1  0  0  0  0
 17 15  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 16  1  0  0  0  0
 21 16  2  0  0  0  0
 22 10  1  0  0  0  0
 23 10  2  0  0  0  0
 24 11  2  0  0  0  0
 25 11  1  0  0  0  0
 26 23  1  0  0  0  0
 27 24  1  0  0  0  0
 28 25  2  0  0  0  0
 29 22  2  0  0  0  0
 30 26  2  0  0  0  0
 31 28  1  0  0  0  0
  5  4  1  0  0  0  0
 31 27  2  0  0  0  0
 30 29  1  0  0  0  0
 15 18  1  0  0  0  0
M  END
>  <Mol_ID> (3,286)
3286

>  <Formula> (3,286)
C24H20FN3O3

>  <MolWeight> (3,286)
417.4323032

>  <COMPOUND_NAME> (3,286)
WAY-346082

>  <BAR_CODE_NO> (3,286)
2556263

$$$$
WAY-346329
csChFnd80/06171916322D

 24 27  0  0  0  0  0  0  0  0999 V2000
    6.7167   -5.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8917   -5.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1500   -4.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2542   -5.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0167   -5.5417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9500   -4.7167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5000   -4.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7500   -3.8042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.0750   -6.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9167   -3.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6542   -7.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6750   -4.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4417   -8.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2500   -5.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2667   -3.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0125   -4.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6417   -8.2542    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.4125   -5.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4375   -3.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917   -4.4792    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.4417   -7.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0250   -8.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0292   -7.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8167   -8.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  3  2  0  0  0  0
  7  2  2  0  0  0  0
  8  3  1  0  0  0  0
  9  4  1  0  0  0  0
 10  8  1  0  0  0  0
 11  9  1  0  0  0  0
 12  7  1  0  0  0  0
 13 11  2  0  0  0  0
 14 12  1  0  0  0  0
 15 12  2  0  0  0  0
 16 19  2  0  0  0  0
 17 13  1  0  0  0  0
 18 14  2  0  0  0  0
 19 15  1  0  0  0  0
 20 16  1  0  0  0  0
 21 11  1  0  0  0  0
 22 13  1  0  0  0  0
 23 21  2  0  0  0  0
 24 23  1  0  0  0  0
  6  5  1  0  0  0  0
 10  7  1  0  0  0  0
 16 18  1  0  0  0  0
 24 22  2  0  0  0  0
M  END
>  <Mol_ID> (3,287)
3287

>  <Formula> (3,287)
C17H12ClFN4S

>  <MolWeight> (3,287)
358.8203832

>  <COMPOUND_NAME> (3,287)
WAY-346329

>  <BAR_CODE_NO> (3,287)
2556572

$$$$
WAY-346360
csChFnd80/06171916322D

 29 31  0  0  0  0  0  0  0  0999 V2000
    9.3542   -4.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0167   -5.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9167   -5.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2875   -4.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5792   -6.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6750   -6.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8875   -3.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0000   -3.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5542   -4.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7500   -3.2792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2125   -5.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3125   -2.3417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2292   -7.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7500   -5.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0375   -7.0417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3042   -5.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6750   -3.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3292   -7.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8667   -6.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6542   -4.1750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5375   -3.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1417   -2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1417   -4.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0792   -4.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0750   -2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9000   -7.9542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4625   -3.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9250   -2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  5  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  4  1  0  0  0  0
 11  6  1  0  0  0  0
 12  7  2  0  0  0  0
 13  6  2  0  0  0  0
 14  4  2  0  0  0  0
 15  5  2  0  0  0  0
 16 11  2  0  0  0  0
 17 10  1  0  0  0  0
 18 13  1  0  0  0  0
 19 18  2  0  0  0  0
 20 11  1  0  0  0  0
 21 24  1  0  0  0  0
 22 17  2  0  0  0  0
 23 17  1  0  0  0  0
 24 23  2  0  0  0  0
 25 22  1  0  0  0  0
 26 18  1  0  0  0  0
 27 21  1  0  0  0  0
 28 26  1  0  0  0  0
 29 27  1  0  0  0  0
  2  9  2  0  0  0  0
 25 21  2  0  0  0  0
 19 16  1  0  0  0  0
M  END
>  <Mol_ID> (3,288)
3288

>  <Formula> (3,288)
C22H20N2O5

>  <MolWeight> (3,288)
392.4046

>  <COMPOUND_NAME> (3,288)
WAY-346360

>  <BAR_CODE_NO> (3,288)
2556587

$$$$
WAY-346419
csChFnd80/06171916322D

 28 30  0  0  0  0  0  0  0  0999 V2000
    7.2042  -10.0167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.1667  -10.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2375   -9.4042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1667  -11.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1167  -10.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3417   -7.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3792   -8.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7875  -11.0500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5917   -8.9667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1167  -12.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0875  -10.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2917   -8.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2792  -10.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2167   -8.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3292   -6.3917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0875  -11.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3042   -9.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2542   -7.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4167   -7.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1167   -8.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2042  -12.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0542  -12.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4125   -8.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2667   -6.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1792   -5.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4417   -8.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4417   -5.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  2  2  0  0  0  0
  6 12  1  0  0  0  0
  7  6  1  0  0  0  0
  8  1  2  0  0  0  0
  9  1  2  0  0  0  0
 10  4  2  0  0  0  0
 11  5  1  0  0  0  0
 12 18  1  0  0  0  0
 13  3  1  0  0  0  0
 14  3  1  0  0  0  0
 15  6  2  0  0  0  0
 16 11  2  0  0  0  0
 17 13  1  0  0  0  0
 18 14  1  0  0  0  0
 19  7  1  0  0  0  0
 20  5  1  0  0  0  0
 21  4  1  0  0  0  0
 22 16  1  0  0  0  0
 23 19  1  0  0  0  0
 24 19  1  0  0  0  0
 25 24  1  0  0  0  0
 26 23  1  0  0  0  0
 27 26  1  0  0  0  0
 28 25  1  0  0  0  0
 12 17  1  0  0  0  0
 16 10  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (3,289)
3289

>  <Formula> (3,289)
C22H34N2O3S

>  <MolWeight> (3,289)
406.58196

>  <COMPOUND_NAME> (3,289)
WAY-346419

>  <BAR_CODE_NO> (3,289)
2556647

$$$$
WAY-346465
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
    3.6193    6.7489    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3927    7.4432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1963    6.7383    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2294    5.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5488    5.4031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9827    1.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5434    2.4265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6703    4.9936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3927    8.8479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2639    4.8440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5035    3.8685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5994    0.9720    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9409    2.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6996    3.5409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.4432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0786    4.3153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.8479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1963    9.5528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8265    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4493    4.4916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5392    3.0247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7556    2.0989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2346    6.2825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4201    5.9639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8867    4.0323    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3598    1.9227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2950    3.3647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6193    9.5528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3873    7.4201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0368    5.8018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4511    5.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6 12  1  0  0  0  0
  7  6  1  0  0  0  0
  8 10  1  0  0  0  0
  9  2  1  0  0  0  0
 10 14  2  0  0  0  0
 11 13  1  0  0  0  0
 12 22  1  0  0  0  0
 13  7  2  0  0  0  0
 14  7  1  0  0  0  0
 15  3  1  0  0  0  0
 16  4  1  0  0  0  0
 17 18  1  0  0  0  0
 18  9  2  0  0  0  0
 19  6  2  0  0  0  0
 20 16  1  0  0  0  0
 21 16  2  0  0  0  0
 22 26  2  0  0  0  0
 23  8  1  0  0  0  0
 24 10  1  0  0  0  0
 25 11  1  0  0  0  0
 26 21  1  0  0  0  0
 27 20  2  0  0  0  0
 28  9  1  0  0  0  0
 29 23  1  0  0  0  0
 30 24  1  0  0  0  0
 31 25  1  0  0  0  0
  3  5  1  0  0  0  0
 27 22  1  0  0  0  0
 17 15  2  0  0  0  0
 11  8  2  0  0  0  0
M  END
>  <Mol_ID> (3,290)
3290

>  <Formula> (3,290)
C24H23N3O4

>  <MolWeight> (3,290)
417.45712

>  <COMPOUND_NAME> (3,290)
WAY-346465

>  <BAR_CODE_NO> (3,290)
2556786

$$$$
WAY-346562
csChFnd80/06171916322D

 28 30  0  0  0  0  0  0  0  0999 V2000
   13.8750   -7.1375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8875   -6.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2292   -5.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8292   -6.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4250   -5.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8542   -8.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6250   -4.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4000   -2.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9917   -3.1417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8000   -8.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4042   -4.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8042   -3.1792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.2292   -3.1917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000   -2.0917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2000   -3.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7375   -6.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5917   -3.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7542   -8.3000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.8042   -2.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7875   -4.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0042   -2.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9917   -4.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8917   -8.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0042   -1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7792  -10.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8750  -10.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8125  -10.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  9  1  0  0  0  0
  9 15  1  0  0  0  0
 10  6  1  0  0  0  0
 11  7  1  0  0  0  0
 12 11  1  0  0  0  0
 13  7  2  0  0  0  0
 14  8  2  0  0  0  0
 15 21  2  0  0  0  0
 16  2  1  0  0  0  0
 17 12  1  0  0  0  0
 18  4  1  0  0  0  0
 19 10  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 17  1  0  0  0  0
 23 17  2  0  0  0  0
 24  6  2  0  0  0  0
 25  8  1  0  0  0  0
 26 10  2  0  0  0  0
 27 24  1  0  0  0  0
 28 27  2  0  0  0  0
  3  5  1  0  0  0  0
 26 28  1  0  0  0  0
 20 15  1  0  0  0  0
M  END
>  <Mol_ID> (3,291)
3291

>  <Formula> (3,291)
C22H21FN2O2S

>  <MolWeight> (3,291)
396.4777432

>  <COMPOUND_NAME> (3,291)
WAY-346562

>  <BAR_CODE_NO> (3,291)
2556814

$$$$
WAY-346620
csChFnd80/06171916322D

 18 19  0  0  0  0  0  0  0  0999 V2000
   10.2792   -6.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4375   -7.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1125   -4.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8667   -3.5417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1292   -8.7542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9667   -7.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8167   -6.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1875   -6.2417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6292   -4.7667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8250  -10.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2417  -12.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3542   -3.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9792  -13.8667    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.0542   -4.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2917  -10.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0542  -11.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -11.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7542  -12.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4 12  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  2  0  0  0  0
  9  3  2  0  0  0  0
 10  5  1  0  0  0  0
 11 18  2  0  0  0  0
 12 14  1  0  0  0  0
 13 11  1  0  0  0  0
 14  1  1  0  0  0  0
 15 10  1  0  0  0  0
 16 10  2  0  0  0  0
 17 15  2  0  0  0  0
 18 16  1  0  0  0  0
  3  4  1  0  0  0  0
 17 11  1  0  0  0  0
M  END
>  <Mol_ID> (3,292)
3292

>  <Formula> (3,292)
C12H14ClN3O2

>  <MolWeight> (3,292)
267.71146

>  <COMPOUND_NAME> (3,292)
WAY-346620

>  <BAR_CODE_NO> (3,292)
2556884

$$$$
WAY-346643
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
   10.3417   -9.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1667  -11.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2250   -9.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9625   -6.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0417  -11.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4042  -11.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0417   -8.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0917   -4.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3917   -8.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -9.6542    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.6125   -8.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7375   -6.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2375  -12.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9792  -12.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167   -4.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667   -7.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9167   -9.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0042   -3.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1792  -14.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3542   -9.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0042  -11.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1292   -1.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4417   -3.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0542  -14.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542   -1.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2375  -11.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4 12  1  0  0  0  0
  5  2  2  0  0  0  0
  6  1  2  0  0  0  0
  7  4  1  0  0  0  0
  8  4  1  0  0  0  0
  9  1  1  0  0  0  0
 10  5  1  0  0  0  0
 11  9  1  0  0  0  0
 12 11  1  0  0  0  0
 13  2  1  0  0  0  0
 14  5  1  0  0  0  0
 15  8  1  0  0  0  0
 16  7  2  0  0  0  0
 17  7  1  0  0  0  0
 18  8  2  0  0  0  0
 19 13  2  0  0  0  0
 20 16  1  0  0  0  0
 21 17  2  0  0  0  0
 22 18  1  0  0  0  0
 23 15  2  0  0  0  0
 24 19  1  0  0  0  0
 25 22  2  0  0  0  0
 26 21  1  0  0  0  0
 14 24  2  0  0  0  0
 23 25  1  0  0  0  0
 26 20  2  0  0  0  0
M  END
>  <Mol_ID> (3,293)
3293

>  <Formula> (3,293)
C23H22FNO

>  <MolWeight> (3,293)
347.4252832

>  <COMPOUND_NAME> (3,293)
WAY-346643

>  <BAR_CODE_NO> (3,293)
2556860

$$$$
WAY-346646
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -2.2667    0.3335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9027   -0.0415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6097   -0.0415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9027   -0.7916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6097   -0.7916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2487   -1.1666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9527    0.3335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3167   -0.0415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3167   -0.8096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9527   -1.1666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3404   -1.1846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3404    0.3155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0334   -0.0805    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3404    1.1015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6904    0.2975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3293    1.4225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6904    1.0475    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9833    1.0475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9833    0.2975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3474   -0.0805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 12 14  2  0  0  0  0
 12 13  1  0  0  0  0
  8 12  1  0  0  0  0
  9 11  1  0  0  0  0
 10  9  2  0  0  0  0
  5 10  1  0  0  0  0
  9  8  1  0  0  0  0
  8  7  2  0  0  0  0
  7  3  1  0  0  0  0
  6  5  1  0  0  0  0
  4  6  2  0  0  0  0
  5  3  2  0  0  0  0
  4  2  1  0  0  0  0
  3  1  1  0  0  0  0
  1  2  2  0  0  0  0
 13 15  1  0  0  0  0
 16 17  2  0  0  0  0
 18 16  1  0  0  0  0
 15 17  1  0  0  0  0
 19 18  2  0  0  0  0
 15 20  2  0  0  0  0
 20 19  1  0  0  0  0
M  END
>  <Mol_ID> (3,294)
3294

>  <Formula> (3,294)
C16H12N2O2

>  <MolWeight> (3,294)
264.27868

>  <COMPOUND_NAME> (3,294)
WAY-346646

>  <BAR_CODE_NO> (3,294)
2557096

$$$$
WAY-346713
csChFnd80/06171916322D

 29 31  0  0  0  0  0  0  0  0999 V2000
    9.4292   -5.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7667   -4.3750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8042   -6.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7667   -5.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7542   -4.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7125   -7.0167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.7917   -6.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9125   -6.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5125   -5.2042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.1500   -6.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9167   -6.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0542   -6.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0792   -3.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3125   -6.0417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1917   -7.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0500   -7.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6667   -5.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1917   -8.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0667   -6.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3542   -7.9125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0625   -6.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1292   -3.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3417   -2.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3292   -8.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4292   -7.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4500   -2.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6542   -1.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7125   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6 10  1  0  0  0  0
  7  6  1  0  0  0  0
  8  4  1  0  0  0  0
  9  1  1  0  0  0  0
 10 19  1  0  0  0  0
 11  8  1  0  0  0  0
 12 11  2  0  0  0  0
 13  2  1  0  0  0  0
 14  7  2  0  0  0  0
 15 18  2  0  0  0  0
 16  8  2  0  0  0  0
 17 10  2  0  0  0  0
 18 16  1  0  0  0  0
 19  9  1  0  0  0  0
 20  7  1  0  0  0  0
 21 12  1  0  0  0  0
 22 13  1  0  0  0  0
 23 13  2  0  0  0  0
 24 15  1  0  0  0  0
 25 20  1  0  0  0  0
 26 25  1  0  0  0  0
 27 22  2  0  0  0  0
 28 23  1  0  0  0  0
 29 28  2  0  0  0  0
  4  5  2  0  0  0  0
 29 27  1  0  0  0  0
 15 12  1  0  0  0  0
M  END
>  <Mol_ID> (3,295)
3295

>  <Formula> (3,295)
C22H23N3O3S

>  <MolWeight> (3,295)
409.50132

>  <COMPOUND_NAME> (3,295)
WAY-346713

>  <BAR_CODE_NO> (3,295)
2556916

$$$$
WAY-346755
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -0.8677   -0.2698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6780    0.4475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7366   -0.8698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4780    0.3889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4780   -0.9318    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6780    1.2268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3366    0.0578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3987   -0.4801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7366   -1.6491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3013    0.3889    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4780    1.2889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3013   -0.9318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3366    1.6164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9987    0.4475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0573   -0.8698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3987   -2.0387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2013    0.8095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2013   -0.9318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9987    1.2268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0573   -1.6491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9392    0.3889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3289    1.0475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3289   -0.2698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1082    1.0475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1082   -0.2698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4979    0.3889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3979    0.3889    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  2  0  0  0  0
  4 10  1  0  0  0  0
  4 11  2  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  2  0  0  0  0
  8 15  2  0  0  0  0
  9 16  1  0  0  0  0
 10 17  1  0  0  0  0
 12 18  2  0  0  0  0
 13 19  2  0  0  0  0
 15 20  1  0  0  0  0
 17 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  2  0  0  0  0
 26 27  1  0  0  0  0
 10 12  1  0  0  0  0
 14 19  1  0  0  0  0
 16 20  2  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (3,296)
3296

>  <Formula> (3,296)
C22H17ClN2O2

>  <MolWeight> (3,296)
376.83558

>  <COMPOUND_NAME> (3,296)
WAY-346755

>  <BAR_CODE_NO> (3,296)
2556979

$$$$
WAY-346840
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    5.7417   -3.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8917   -5.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8042   -3.4917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5250   -5.1292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5417   -1.8042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.7292   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5750   -4.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5875   -2.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8417   -7.1667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7167   -7.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7042   -3.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8917   -5.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8542   -3.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6042   -1.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8750   -7.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6375   -8.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9667   -1.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6917    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7292  -10.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8417    0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8875  -10.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8  5  1  0  0  0  0
  9  2  2  0  0  0  0
 10  6  1  0  0  0  0
 11  6  1  0  0  0  0
 12  7  1  0  0  0  0
 13 11  2  0  0  0  0
 14 11  1  0  0  0  0
 15 10  2  0  0  0  0
 16 10  1  0  0  0  0
 17 13  1  0  0  0  0
 18 14  2  0  0  0  0
 19 15  1  0  0  0  0
 20 16  2  0  0  0  0
 21 18  1  0  0  0  0
 22 20  1  0  0  0  0
  7  8  2  0  0  0  0
 21 17  2  0  0  0  0
 22 19  2  0  0  0  0
M  END
>  <Mol_ID> (3,297)
3297

>  <Formula> (3,297)
C18H16N2OS

>  <MolWeight> (3,297)
308.39744

>  <COMPOUND_NAME> (3,297)
WAY-346840

>  <BAR_CODE_NO> (3,297)
2557018

$$$$
WAY-346875-A
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    8.6792   -7.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0792   -5.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8167  -10.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8917   -9.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4417  -11.4792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7125   -4.9292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9167   -7.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0500   -8.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5167  -10.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4625   -9.2667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5167   -8.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6542   -9.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0750  -12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4167  -14.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0375  -16.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.4167  -13.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3875  -12.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0667  -14.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0792  -13.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8417   -5.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1042   -3.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2417   -4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8667   -3.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  9  1  0  0  0  0
  4 12  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  2  0  0  0  0
  7  1  1  0  0  0  0
  8  1  1  0  0  0  0
  9  4  1  0  0  0  0
 10  3  2  0  0  0  0
 11  7  1  0  0  0  0
 12  8  1  0  0  0  0
 13  5  1  0  0  0  0
 14 19  2  0  0  0  0
 15 14  1  0  0  0  0
 16 13  1  0  0  0  0
 17 13  2  0  0  0  0
 18 16  2  0  0  0  0
 19 17  1  0  0  0  0
 20  2  1  0  0  0  0
 21  6  1  0  0  0  0
 22 20  2  0  0  0  0
 23 22  1  0  0  0  0
  4 11  1  0  0  0  0
 23 21  2  0  0  0  0
 18 14  1  0  0  0  0
M  END
>  <Mol_ID> (3,298)
3298

>  <Formula> (3,298)
C17H19FN4O

>  <MolWeight> (3,298)
314.3573632

>  <COMPOUND_NAME> (3,298)
WAY-346875-A

>  <BAR_CODE_NO> (3,298)
2557234

$$$$
WAY-346940
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    5.1250    2.1710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4180    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9864    1.3447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2637    1.3447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8234    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8493    4.0796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1377    5.4482    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5932    1.7741    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.6547    1.7741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1010    6.3830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3960    7.7515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6460    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5111    3.6480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8903    3.1405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3658    8.6820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6542   10.0592    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7391    6.8731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0389    3.5764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2971    1.2666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7758    5.9492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6245    0.8437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3684    3.1470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0276    8.2525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6 14  1  0  0  0  0
  7  6  1  0  0  0  0
  8  4  1  0  0  0  0
  9  3  1  0  0  0  0
 10  7  1  0  0  0  0
 11 10  2  0  0  0  0
 12 18  2  0  0  0  0
 13  6  2  0  0  0  0
 14  8  1  0  0  0  0
 15 11  1  0  0  0  0
 16 15  1  0  0  0  0
 17 20  2  0  0  0  0
 18 22  1  0  0  0  0
 19 21  2  0  0  0  0
 20 10  1  0  0  0  0
 21  9  1  0  0  0  0
 22  9  2  0  0  0  0
 23 17  1  0  0  0  0
  2  5  1  0  0  0  0
 19 12  1  0  0  0  0
 15 23  2  0  0  0  0
M  END
>  <Mol_ID> (3,299)
3299

>  <Formula> (3,299)
C15H11ClN4O2S

>  <MolWeight> (3,299)
346.79144

>  <COMPOUND_NAME> (3,299)
WAY-346940

>  <BAR_CODE_NO> (3,299)
2557310

$$$$
WAY-346990
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   14.6542   -5.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2125   -4.3042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.7750   -3.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5750   -1.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4417   -2.7625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4542   -1.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2042   -5.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5375   -5.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8792   -3.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2167   -2.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1292   -1.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1250   -0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8917   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5625   -2.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3292   -5.8167    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -4.3292    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   15.5125   -6.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9625   -5.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6292   -6.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5417    0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2500   -0.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7917    0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0917    1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2042    1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4 11  1  0  0  0  0
  5  9  1  0  0  0  0
  6 13  1  0  0  0  0
  7  1  1  0  0  0  0
  8  1  2  0  0  0  0
  9  3  1  0  0  0  0
 10  3  2  0  0  0  0
 11 14  1  0  0  0  0
 12  4  1  0  0  0  0
 13  5  1  0  0  0  0
 14  5  1  0  0  0  0
 15  7  1  0  0  0  0
 16  8  1  0  0  0  0
 17 18  2  0  0  0  0
 18  8  1  0  0  0  0
 19  7  2  0  0  0  0
 20 12  1  0  0  0  0
 21 12  2  0  0  0  0
 22 21  1  0  0  0  0
 23 20  2  0  0  0  0
 24 22  2  0  0  0  0
 19 17  1  0  0  0  0
  6  4  2  0  0  0  0
 24 23  1  0  0  0  0
M  END
>  <Mol_ID> (3,300)
3300

>  <Formula> (3,300)
C19H18Cl2N2O

>  <MolWeight> (3,300)
361.26502

>  <COMPOUND_NAME> (3,300)
WAY-346990

>  <BAR_CODE_NO> (3,300)
2557182

$$$$
WAY-347033
csChFnd80/06171916322D

 32 35  0  0  0  0  0  0  0  0999 V2000
    9.6292   -7.5375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9875   -6.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4042   -7.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0000   -5.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0250   -6.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3542   -8.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6042   -8.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1417   -5.9792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000   -8.5542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0292   -4.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7917   -5.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3667   -9.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1042   -7.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9042  -10.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6292  -11.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0667  -13.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8167  -11.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1667  -12.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5375  -12.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8792  -13.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8042  -14.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9917   -3.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1000   -3.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4042   -4.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000   -6.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -14.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2167   -4.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8042   -6.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0167   -2.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1292   -2.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4125   -4.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0917   -2.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  2  2  0  0  0  0
  9  3  2  0  0  0  0
 10  4  1  0  0  0  0
 11  4  1  0  0  0  0
 12  7  1  0  0  0  0
 13  7  2  0  0  0  0
 14 12  1  0  0  0  0
 15 14  1  0  0  0  0
 16 20  1  0  0  0  0
 17 15  2  0  0  0  0
 18 15  1  0  0  0  0
 19 17  1  0  0  0  0
 20 18  2  0  0  0  0
 21 16  1  0  0  0  0
 22 10  1  0  0  0  0
 23 10  2  0  0  0  0
 24 11  2  0  0  0  0
 25 11  1  0  0  0  0
 26 21  1  0  0  0  0
 27 24  1  0  0  0  0
 28 25  2  0  0  0  0
 29 22  2  0  0  0  0
 30 23  1  0  0  0  0
 31 28  1  0  0  0  0
 32 30  2  0  0  0  0
  4  5  1  0  0  0  0
 27 31  2  0  0  0  0
 29 32  1  0  0  0  0
 19 16  2  0  0  0  0
M  END
>  <Mol_ID> (3,301)
3301

>  <Formula> (3,301)
C25H23N3O4

>  <MolWeight> (3,301)
429.46782

>  <COMPOUND_NAME> (3,301)
WAY-347033

>  <BAR_CODE_NO> (3,301)
2557299

$$$$
WAY-347043
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
    3.5417   -1.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0542   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0417   -1.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2417   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500   -1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5292   -0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3667   -1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5292   -2.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7792   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3042    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000   -2.6667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4417    0.2458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167   -1.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6042   -0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6125   -0.8042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0542    0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7667    0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000    0.4333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  2  0  0  0  0
  7  1  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  5  2  0  0  0  0
 11  7  1  0  0  0  0
 12  2  2  0  0  0  0
 13  3  2  0  0  0  0
 14 11  1  0  0  0  0
 15 10  1  0  0  0  0
 16 11  2  0  0  0  0
 17  9  2  0  0  0  0
 18 14  1  0  0  0  0
 19 16  1  0  0  0  0
 20  9  1  0  0  0  0
  5  4  1  0  0  0  0
 18 19  2  0  0  0  0
 15  8  2  0  0  0  0
M  END
>  <Mol_ID> (3,302)
3302

>  <Formula> (3,302)
C14H9NO5

>  <MolWeight> (3,302)
271.22496

>  <COMPOUND_NAME> (3,302)
WAY-347043

>  <BAR_CODE_NO> (3,302)
2557641

$$$$
WAY-347097
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
    9.1042   -2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8167   -0.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8167   -4.1042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7292   -3.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7292   -1.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8417  -12.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8250   -4.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -10.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8042   -4.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3042   -2.3167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.5292  -12.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9792   -6.2750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.5667  -14.5167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8167  -14.5292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8292   -8.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6875  -15.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9375   -2.2542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8250   -0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3625  -10.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4667   -4.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9167   -3.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5125   -8.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9167   -1.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208   -4.5292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333   -6.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208   -7.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  8  1  0  0  0  0
  7  4  2  0  0  0  0
  8 15  2  0  0  0  0
  9 20  1  0  0  0  0
 10  1  1  0  0  0  0
 11 19  1  0  0  0  0
 12  9  1  0  0  0  0
 13  6  1  0  0  0  0
 14 11  1  0  0  0  0
 15 12  1  0  0  0  0
 16 13  1  0  0  0  0
 17  9  2  0  0  0  0
 18  5  2  0  0  0  0
 19 22  2  0  0  0  0
 20 10  1  0  0  0  0
 21  7  1  0  0  0  0
 22 15  1  0  0  0  0
 23 18  1  0  0  0  0
 24 21  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
  4  5  1  0  0  0  0
 21 23  2  0  0  0  0
 11  6  2  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <Mol_ID> (3,303)
3303

>  <Formula> (3,303)
C18H17N3O4S

>  <MolWeight> (3,303)
371.41028

>  <COMPOUND_NAME> (3,303)
WAY-347097

>  <BAR_CODE_NO> (3,303)
2557333

$$$$
WAY-347206
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   11.9792   -4.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9667   -2.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5042   -2.0542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1167   -0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8625   -1.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6250   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5167   -4.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3042   -4.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6667   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1417   -3.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2917   -1.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9500   -1.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6417   -4.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6250   -2.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3292   -1.9500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6917   -3.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0875   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -4.7917    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.9292    0.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9792   -4.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  5  1  0  0  0  0
  5 15  1  0  0  0  0
  6  7  2  0  0  0  0
  7  1  1  0  0  0  0
  8  1  1  0  0  0  0
  9  4  2  0  0  0  0
 10  5  2  0  0  0  0
 11  2  1  0  0  0  0
 12 16  2  0  0  0  0
 13  8  2  0  0  0  0
 14 13  1  0  0  0  0
 15 17  1  0  0  0  0
 16 10  1  0  0  0  0
 17  6  1  0  0  0  0
 18 13  1  0  0  0  0
 19  9  1  0  0  0  0
 20 16  1  0  0  0  0
  3  6  1  0  0  0  0
 14 11  2  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <Mol_ID> (3,304)
3304

>  <Formula> (3,304)
C13H11ClN4OS

>  <MolWeight> (3,304)
306.77064

>  <COMPOUND_NAME> (3,304)
WAY-347206

>  <BAR_CODE_NO> (3,304)
2557626

$$$$
WAY-347243
csChFnd80/06171916322D

 15 16  0  0  0  0  0  0  0  0999 V2000
   10.2542   -5.5250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2917   -6.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2292   -8.4167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5250   -7.8542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5500   -6.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8167   -3.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0542   -6.9917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.5417   -3.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2667   -5.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9167   -8.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7000   -4.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0875   -1.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8125   -1.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4375   -4.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -2.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9  5  1  0  0  0  0
 10  7  1  0  0  0  0
 11  8  2  0  0  0  0
 12  8  1  0  0  0  0
 13 12  2  0  0  0  0
 14 11  1  0  0  0  0
 15 13  1  0  0  0  0
  3  4  1  0  0  0  0
 15 14  2  0  0  0  0
M  END
>  <Mol_ID> (3,305)
3305

>  <Formula> (3,305)
C11H13N3S

>  <MolWeight> (3,305)
219.30602

>  <COMPOUND_NAME> (3,305)
WAY-347243

>  <BAR_CODE_NO> (3,305)
2558896

$$$$
WAY-347286
csChFnd80/06171916322D

 18 19  0  0  0  0  0  0  0  0999 V2000
   10.1667   -4.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3792   -5.7625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.4625   -4.7417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4042   -3.6667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1875   -4.0417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1625   -5.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1042   -5.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4667   -6.9667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3750   -5.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -5.8375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0917   -6.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3125   -4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3292   -6.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9292   -5.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0250   -4.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0417   -7.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8250   -4.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8667   -6.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  4  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
 10 13  2  0  0  0  0
 11  6  1  0  0  0  0
 12 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 11  1  0  0  0  0
 15  9  1  0  0  0  0
 16  9  2  0  0  0  0
 17 14  1  0  0  0  0
 18 14  1  0  0  0  0
  5  6  2  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <Mol_ID> (3,306)
3306

>  <Formula> (3,306)
C12H14N4OS

>  <MolWeight> (3,306)
262.33076

>  <COMPOUND_NAME> (3,306)
WAY-347286

>  <BAR_CODE_NO> (3,306)
2561465

$$$$
WAY-347423
csChFnd80/06171916322D

 18 19  0  0  0  0  0  0  0  0999 V2000
   11.2500   -2.4667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.8125   -3.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8750   -5.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3667   -4.3375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4792   -1.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7667   -3.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5667   -2.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3500   -6.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3250   -4.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9250   -5.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4417   -6.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4792   -7.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9167   -7.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4750   -6.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4375   -7.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.8792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4792   -9.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  2  0  0  0  0
  7  5  2  0  0  0  0
  8  3  2  0  0  0  0
  9  2  1  0  0  0  0
 10  3  1  0  0  0  0
 11 10  1  0  0  0  0
 12 16  2  0  0  0  0
 13 11  1  0  0  0  0
 14 11  2  0  0  0  0
 15 13  2  0  0  0  0
 16 14  1  0  0  0  0
 17 12  1  0  0  0  0
 18 17  1  0  0  0  0
  6  7  1  0  0  0  0
 15 12  1  0  0  0  0
M  END
>  <Mol_ID> (3,307)
3307

>  <Formula> (3,307)
C14H15NO2S

>  <MolWeight> (3,307)
261.3394

>  <COMPOUND_NAME> (3,307)
WAY-347423

>  <BAR_CODE_NO> (3,307)
2557588

$$$$
WAY-347454-A
csChFnd80/06171916322D

 18 19  0  0  0  0  0  0  0  0999 V2000
    5.1500   -1.5542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1417   -2.3875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.4792   -1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8167   -1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4292   -2.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7292   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5667   -0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8667   -2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4292   -3.6250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7042   -2.3792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8667   -3.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6125   -1.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6917   -1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1417   -4.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5792   -4.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5792   -4.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1417   -4.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8625   -5.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  2  0  0  0  0
  7  4  2  0  0  0  0
  8  2  1  0  0  0  0
  9  5  1  0  0  0  0
 10  5  2  0  0  0  0
 11  8  1  0  0  0  0
 12  4  1  0  0  0  0
 13  3  1  0  0  0  0
 14 11  2  0  0  0  0
 15 11  1  0  0  0  0
 16 15  2  0  0  0  0
 17 14  1  0  0  0  0
 18 16  1  0  0  0  0
  6  7  1  0  0  0  0
 18 17  2  0  0  0  0
M  END
>  <Mol_ID> (3,308)
3308

>  <Formula> (3,308)
C15H17NO2

>  <MolWeight> (3,308)
243.30098

>  <COMPOUND_NAME> (3,308)
WAY-347454-A

>  <BAR_CODE_NO> (3,308)
2557973

$$$$
WAY-347609
csChFnd80/06171916322D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -0.5606    1.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1360    1.5450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2502    1.5450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5640    0.3416    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1360    2.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2502    2.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1291   -0.0584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5606    2.7450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8291    2.7450    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.2744   -0.7481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9015    0.1485    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5640    3.5450    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.4187   -1.1481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4153   -1.9481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1084   -2.3515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2813   -2.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1015   -3.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2813   -3.1446    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4118   -3.5481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
  6  8  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (3,309)
3309

>  <Formula> (3,309)
C13H10Cl2N2O2

>  <MolWeight> (3,309)
297.1367

>  <COMPOUND_NAME> (3,309)
WAY-347609

>  <BAR_CODE_NO> (3,309)
2557809

$$$$
WAY-347770
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
    9.3750   -4.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6667   -5.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5792   -4.7792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1792   -5.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6667   -3.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.0000   -6.8542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3875   -7.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5125   -4.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3917   -5.8167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.5125   -5.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9917   -8.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4667   -3.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5792   -6.8625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1792   -7.8917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2000   -8.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4667   -5.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4292   -4.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4292   -5.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4292   -5.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7875  -10.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3667   -3.5625    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.3750  -10.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9667  -11.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1750  -11.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4792   -5.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4292   -4.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -10.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  9  1  0  0  0  0
  7  6  1  0  0  0  0
  8  5  1  0  0  0  0
  9  4  1  0  0  0  0
 10  2  1  0  0  0  0
 11  7  1  0  0  0  0
 12  8  2  0  0  0  0
 13  4  2  0  0  0  0
 14  7  2  0  0  0  0
 15 11  2  0  0  0  0
 16 10  2  0  0  0  0
 17 12  1  0  0  0  0
 18  9  1  0  0  0  0
 19 16  1  0  0  0  0
 20 15  1  0  0  0  0
 21 17  1  0  0  0  0
 22 11  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 25 18  1  0  0  0  0
 26 18  1  0  0  0  0
 27 20  1  0  0  0  0
 10  8  1  0  0  0  0
 19 17  2  0  0  0  0
 24 20  2  0  0  0  0
M  END
>  <Mol_ID> (3,310)
3310

>  <Formula> (3,310)
C20H20FN3O2S

>  <MolWeight> (3,310)
385.4551032

>  <COMPOUND_NAME> (3,310)
WAY-347770

>  <BAR_CODE_NO> (3,310)
2557962

$$$$
WAY-347771
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
   11.0042   -5.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7292   -6.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7042   -4.2417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8000   -5.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8750   -5.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1917   -4.2125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8542   -4.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9417   -2.1417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3250   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9250   -6.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2167   -6.2917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7750   -3.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9667   -4.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3542   -3.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1500   -2.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8917   -3.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1125   -1.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9042   -0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9542   -5.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3750   -7.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0667    0.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9375   -4.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4875   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2792    0.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.3667    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.4292    1.9958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2167    1.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  3  1  0  0  0  0
  8 14  1  0  0  0  0
  9  8  1  0  0  0  0
 10  5  2  0  0  0  0
 11  4  2  0  0  0  0
 12  6  1  0  0  0  0
 13  6  1  0  0  0  0
 14 13  1  0  0  0  0
 15 12  1  0  0  0  0
 16  7  2  0  0  0  0
 17  9  2  0  0  0  0
 18  9  1  0  0  0  0
 19 10  1  0  0  0  0
 20  2  1  0  0  0  0
 21 24  1  0  0  0  0
 22 16  1  0  0  0  0
 23 17  1  0  0  0  0
 24 18  2  0  0  0  0
 25 19  1  0  0  0  0
 26 21  1  0  0  0  0
 27 26  1  0  0  0  0
  5  7  1  0  0  0  0
 15  8  1  0  0  0  0
 19 22  2  0  0  0  0
 23 21  2  0  0  0  0
M  END
>  <Mol_ID> (3,311)
3311

>  <Formula> (3,311)
C21H21BrN2O3

>  <MolWeight> (3,311)
429.30704

>  <COMPOUND_NAME> (3,311)
WAY-347771

>  <BAR_CODE_NO> (3,311)
2557963

$$$$
WAY-347782
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
    3.1150    8.3957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3479    6.0173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7640    3.6213    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.6574    4.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3567    3.6082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6530    7.2142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5618    8.4045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3982    7.1396    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3916    9.6386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3413    8.4286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2632    7.2054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4786    2.4135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2632    4.8007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6640    2.3916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8089    9.6649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2597   10.9955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8684    2.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7947    1.2012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5684    3.5884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2764    2.3850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4245   12.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.0372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4940    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5852    1.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9057    0.0066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8418   12.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  6  1  0  0  0  0
  3  5  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6 11  1  0  0  0  0
  7  1  1  0  0  0  0
  8  1  2  0  0  0  0
  9  1  1  0  0  0  0
 10  6  2  0  0  0  0
 11  7  1  0  0  0  0
 12  3  1  0  0  0  0
 13  4  2  0  0  0  0
 14  5  2  0  0  0  0
 15  9  2  0  0  0  0
 16  9  1  0  0  0  0
 17 12  2  0  0  0  0
 18 12  1  0  0  0  0
 19 13  1  0  0  0  0
 20 19  2  0  0  0  0
 21 16  2  0  0  0  0
 22 15  1  0  0  0  0
 23 18  2  0  0  0  0
 24 17  1  0  0  0  0
 25 23  1  0  0  0  0
 26 21  1  0  0  0  0
 22 26  2  0  0  0  0
 20 14  1  0  0  0  0
 25 24  2  0  0  0  0
M  END
>  <Mol_ID> (3,312)
3312

>  <Formula> (3,312)
C21H17NO3S

>  <MolWeight> (3,312)
363.42958

>  <COMPOUND_NAME> (3,312)
WAY-347782

>  <BAR_CODE_NO> (3,312)
2558025

$$$$
WAY-347791
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    9.5917   -4.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2167   -5.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5667   -6.5042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2542   -6.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2917   -4.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6167   -5.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2542   -3.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5750   -7.6125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2000   -7.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6250   -1.9917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4167   -8.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0542   -9.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5542   -3.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1292   -8.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4917   -7.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6500   -3.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3167   -5.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3875  -10.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0667   -7.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3417   -9.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3500   -3.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6750   -4.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3625   -7.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  6  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  2  0  0  0  0
  7  1  1  0  0  0  0
  8  4  2  0  0  0  0
  9  3  1  0  0  0  0
 10  7  2  0  0  0  0
 11 14  1  0  0  0  0
 12 11  1  0  0  0  0
 13  7  1  0  0  0  0
 14 15  1  0  0  0  0
 15  9  1  0  0  0  0
 16  5  1  0  0  0  0
 17  6  1  0  0  0  0
 18 12  1  0  0  0  0
 19 11  2  0  0  0  0
 20 12  2  0  0  0  0
 21 16  2  0  0  0  0
 22 21  1  0  0  0  0
 23 24  2  0  0  0  0
 24 19  1  0  0  0  0
  4  3  1  0  0  0  0
 22 17  2  0  0  0  0
 20 23  1  0  0  0  0
M  END
>  <Mol_ID> (3,313)
3313

>  <Formula> (3,313)
C18H16N2O4

>  <MolWeight> (3,313)
324.33064

>  <COMPOUND_NAME> (3,313)
WAY-347791

>  <BAR_CODE_NO> (3,313)
2558035

$$$$
WAY-347792
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
    9.7125   -6.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1750   -4.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1417   -4.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3750   -4.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0917   -6.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8792   -2.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7250   -8.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0292   -7.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8250   -4.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2042   -9.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9000  -11.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1125   -8.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8125   -9.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0417   -9.8542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8875   -8.6292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2875  -11.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2042  -12.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5625   -2.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5417   -3.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2917  -13.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9042  -13.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9792  -12.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -14.6417    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.2667   -0.9250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8750   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  2  0  0  0  0
  6  2  2  0  0  0  0
  7  8  1  0  0  0  0
  8  1  1  0  0  0  0
  9  3  2  0  0  0  0
 10 13  1  0  0  0  0
 11 10  1  0  0  0  0
 12  7  1  0  0  0  0
 13 12  1  0  0  0  0
 14  7  2  0  0  0  0
 15 10  2  0  0  0  0
 16 11  1  0  0  0  0
 17 11  2  0  0  0  0
 18 19  2  0  0  0  0
 19  9  1  0  0  0  0
 20 21  2  0  0  0  0
 21 17  1  0  0  0  0
 22 16  2  0  0  0  0
 23 20  1  0  0  0  0
 24 18  1  0  0  0  0
 25 24  1  0  0  0  0
  2  4  1  0  0  0  0
 18  6  1  0  0  0  0
 22 20  1  0  0  0  0
M  END
>  <Mol_ID> (3,314)
3314

>  <Formula> (3,314)
C19H15FO5

>  <MolWeight> (3,314)
342.3178032

>  <COMPOUND_NAME> (3,314)
WAY-347792

>  <BAR_CODE_NO> (3,314)
2558036

$$$$
WAY-347799
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
    8.8917   -5.0542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3500   -8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7042   -5.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6917   -6.6667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6125   -6.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8417   -9.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7667  -10.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8667   -7.0750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5875   -8.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8375   -9.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2917   -3.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7250   -7.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8542   -6.0667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.7042   -4.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4792   -7.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4667   -2.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7042   -3.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3500   -6.0875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6417  -11.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6292   -9.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -10.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5125   -3.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8625   -2.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5625   -4.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8542   -3.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5625   -5.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2417   -3.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8667   -1.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9125   -2.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0917   -1.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 12  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  1  1  0  0  0  0
  6  2  2  0  0  0  0
  7  6  1  0  0  0  0
  8  5  2  0  0  0  0
  9  2  1  0  0  0  0
 10  9  2  0  0  0  0
 11  1  1  0  0  0  0
 12 15  1  0  0  0  0
 13  5  1  0  0  0  0
 14  3  1  0  0  0  0
 15 13  1  0  0  0  0
 16 11  2  0  0  0  0
 17 24  2  0  0  0  0
 18 12  2  0  0  0  0
 19  7  1  0  0  0  0
 20  6  1  0  0  0  0
 21 10  1  0  0  0  0
 22 11  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 14  1  0  0  0  0
 26 14  2  0  0  0  0
 27 16  1  0  0  0  0
 28 16  1  0  0  0  0
 29 22  2  0  0  0  0
 30 29  1  0  0  0  0
  8  4  1  0  0  0  0
 28 30  2  0  0  0  0
 17 23  1  0  0  0  0
  7 10  1  0  0  0  0
M  END
>  <Mol_ID> (3,315)
3315

>  <Formula> (3,315)
C23H23N5OS

>  <MolWeight> (3,315)
417.52662

>  <COMPOUND_NAME> (3,315)
WAY-347799

>  <BAR_CODE_NO> (3,315)
2558004

$$$$
WAY-347806
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
    8.6917   -3.8667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6542   -4.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7042   -5.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3792   -4.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7625   -5.6542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7250   -3.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8167   -3.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7542   -4.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7750   -6.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8417   -2.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7667   -3.9667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4792   -4.7375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.8125   -2.1917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1542   -3.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3167   -5.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6792   -6.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7417   -2.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8042   -2.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7667   -4.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1250   -5.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3292   -7.5875    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.0167   -5.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6667   -4.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4292   -5.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  2  1  0  0  0  0
  7  8  1  0  0  0  0
  8  6  2  0  0  0  0
  9 16  2  0  0  0  0
 10 18  1  0  0  0  0
 11  7  1  0  0  0  0
 12  4  1  0  0  0  0
 13 10  1  0  0  0  0
 14 11  1  0  0  0  0
 15 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17  6  1  0  0  0  0
 18 17  2  0  0  0  0
 19 23  1  0  0  0  0
 20 22  1  0  0  0  0
 21  9  1  0  0  0  0
 22 12  1  0  0  0  0
 23 20  2  0  0  0  0
 24 15  1  0  0  0  0
 25 24  1  0  0  0  0
  5  3  1  0  0  0  0
 10  7  2  0  0  0  0
 14 13  1  0  0  0  0
 15  9  1  0  0  0  0
M  END
>  <Mol_ID> (3,316)
3316

>  <Formula> (3,316)
C17H13FN2O4S

>  <MolWeight> (3,316)
360.3595232

>  <COMPOUND_NAME> (3,316)
WAY-347806

>  <BAR_CODE_NO> (3,316)
2558011

$$$$
WAY-347808
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
    7.9042   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7417   -6.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2375   -5.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3542   -5.1292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2750   -4.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5042   -7.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1917   -7.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9542   -8.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4417   -8.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6667   -7.1667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.8667   -8.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8000   -8.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0250   -9.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2417   -8.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2917   -3.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0375   -7.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7375   -8.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1667   -9.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4667  -10.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000   -2.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3125   -2.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3292   -1.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3167   -1.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3167   -0.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  2  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  6  2  0  0  0  0
  9 15  1  0  0  0  0
 10 12  3  0  0  0  0
 11  6  1  0  0  0  0
 12 18  1  0  0  0  0
 13  8  1  0  0  0  0
 14  9  1  0  0  0  0
 15 11  1  0  0  0  0
 16  5  1  0  0  0  0
 17  9  2  0  0  0  0
 18 19  1  0  0  0  0
 19 14  1  0  0  0  0
 20 14  1  0  0  0  0
 21 16  1  0  0  0  0
 22 16  2  0  0  0  0
 23 22  1  0  0  0  0
 24 21  2  0  0  0  0
 25 23  2  0  0  0  0
  4  5  1  0  0  0  0
  7 13  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (3,317)
3317

>  <Formula> (3,317)
C18H16N4OS2

>  <MolWeight> (3,317)
368.47584

>  <COMPOUND_NAME> (3,317)
WAY-347808

>  <BAR_CODE_NO> (3,317)
2558013

$$$$
WAY-347959
csChFnd80/06171916322D

 29 31  0  0  0  0  0  0  0  0999 V2000
   10.1750   -4.7542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9167   -5.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8875   -6.4292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9167   -5.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1125   -6.8667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0125  -12.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6917  -11.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0667   -9.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7542   -8.1917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7667   -9.2792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.6792  -10.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0000  -11.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2167   -5.8667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.1292   -7.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8417   -4.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0792  -10.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8167   -5.9417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1292  -13.3500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.3167  -13.7792    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.8917  -11.9667    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.8417   -7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9542   -3.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6667   -4.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6167   -3.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -10.4917    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.7042   -2.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5917   -4.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8875   -2.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6250   -2.1292    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  7  1  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
 10  8  2  0  0  0  0
 11  8  1  0  0  0  0
 12 11  2  0  0  0  0
 13  4  1  0  0  0  0
 14 21  1  0  0  0  0
 15  2  1  0  0  0  0
 16 10  1  0  0  0  0
 17 14  2  0  0  0  0
 18  6  1  0  0  0  0
 19  6  1  0  0  0  0
 20  6  1  0  0  0  0
 21 13  1  0  0  0  0
 22 15  2  0  0  0  0
 23 15  1  0  0  0  0
 24  1  1  0  0  0  0
 25 11  1  0  0  0  0
 26 27  1  0  0  0  0
 27 23  2  0  0  0  0
 28 22  1  0  0  0  0
 29 26  1  0  0  0  0
  3  5  1  0  0  0  0
 28 26  2  0  0  0  0
 16  7  2  0  0  0  0
M  END
>  <Mol_ID> (3,318)
3318

>  <Formula> (3,318)
C17H12Cl2F3N5OS

>  <MolWeight> (3,318)
462.2762896

>  <COMPOUND_NAME> (3,318)
WAY-347959

>  <BAR_CODE_NO> (3,318)
2558180

$$$$
WAY-348064
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
    7.8917   -5.2417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8042   -5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9417   -7.4542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.8250   -6.7417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5667   -6.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9125   -7.0792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8417   -7.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3417   -4.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1917   -8.0625    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.8125   -5.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0500   -8.0875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4542   -7.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7167   -6.1375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.8792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7917   -6.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8917   -8.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9750   -8.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3000   -7.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6667   -3.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0042   -6.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7917   -3.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8000   -3.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5292   -3.3917    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.4750   -4.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8375   -5.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4917   -9.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8125   -3.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1292   -2.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8375   -5.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9417   -3.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2667   -2.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  7  1  0  0  0  0
  4  2  2  0  0  0  0
  5  1  1  0  0  0  0
  6  5  2  0  0  0  0
  7  9  1  0  0  0  0
  8  1  1  0  0  0  0
  9 11  1  0  0  0  0
 10  2  1  0  0  0  0
 11 12  1  0  0  0  0
 12 18  1  0  0  0  0
 13  5  1  0  0  0  0
 14  3  2  0  0  0  0
 15  3  2  0  0  0  0
 16  9  1  0  0  0  0
 17 16  1  0  0  0  0
 18 13  1  0  0  0  0
 19  8  2  0  0  0  0
 20 12  2  0  0  0  0
 21 22  2  0  0  0  0
 22 10  1  0  0  0  0
 23 19  1  0  0  0  0
 24  8  1  0  0  0  0
 25 10  2  0  0  0  0
 26 11  1  0  0  0  0
 27 29  2  0  0  0  0
 28 19  1  0  0  0  0
 29 25  1  0  0  0  0
 30 24  2  0  0  0  0
 31 30  1  0  0  0  0
  4  6  1  0  0  0  0
 28 31  2  0  0  0  0
 27 21  1  0  0  0  0
 17  3  1  0  0  0  0
M  END
>  <Mol_ID> (3,319)
3319

>  <Formula> (3,319)
C20H20FN5O3S2

>  <MolWeight> (3,319)
461.5329032

>  <COMPOUND_NAME> (3,319)
WAY-348064

>  <BAR_CODE_NO> (3,319)
2558244

$$$$
WAY-348109
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -1.4711    2.4650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3124    1.2271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4813    3.2133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6987    2.6926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1641    0.7409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4469    0.6892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6704    2.7374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2987    1.6030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8290    1.4961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9807    1.0133    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1394   -0.2212    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2497   -1.1039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1394   -1.4729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3359   -0.5419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0394   -0.7764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5704   -2.3074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8400   -1.6557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6842   -3.1901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5194   -2.8626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4056   -3.7453    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  2  0  0  0  0
 12 15  2  0  0  0  0
 12 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 19 20  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (3,320)
3320

>  <Formula> (3,320)
C15H14FNO2S

>  <MolWeight> (3,320)
291.3405632

>  <COMPOUND_NAME> (3,320)
WAY-348109

>  <BAR_CODE_NO> (3,320)
2558443

$$$$
WAY-348111
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
    1.4634    2.2112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3806    1.5940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5392    1.5836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2117    3.4319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3737    0.3457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5401    2.4354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.3354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0263    3.5664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4496   -0.2819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4427   -1.5301    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3565   -2.1474    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7228   -1.5233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3565   -3.3922    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7263   -2.7543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8021   -2.1474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7228   -0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8814   -1.5233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8021    0.3457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8814   -0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  2  0  0  0  0
 12 15  2  0  0  0  0
 12 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (3,321)
3321

>  <Formula> (3,321)
C15H15NO2S

>  <MolWeight> (3,321)
273.3501

>  <COMPOUND_NAME> (3,321)
WAY-348111

>  <BAR_CODE_NO> (3,321)
2558445

$$$$
WAY-348143
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
   11.0792   -5.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2625   -3.8750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2417   -6.1542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9042   -5.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9167   -4.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2625  -12.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6792   -6.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6000   -6.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4875   -5.0167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.8542  -12.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6875  -13.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4042  -13.6792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5292  -14.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2917   -7.4667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.9792  -11.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3000   -5.0417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7125   -3.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1542  -11.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1792   -6.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4667   -5.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2792   -9.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4792   -4.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8750   -9.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2292   -6.3667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0167   -5.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6 15  1  0  0  0  0
  7  4  1  0  0  0  0
  8 19  1  0  0  0  0
  9  1  1  0  0  0  0
 10 18  1  0  0  0  0
 11  6  1  0  0  0  0
 12 10  1  0  0  0  0
 13 11  1  0  0  0  0
 14  8  1  0  0  0  0
 15 21  2  0  0  0  0
 16  8  2  0  0  0  0
 17  5  1  0  0  0  0
 18 24  2  0  0  0  0
 19  9  1  0  0  0  0
 20  7  2  0  0  0  0
 21 22  1  0  0  0  0
 22 14  1  0  0  0  0
 23 17  2  0  0  0  0
 24 21  1  0  0  0  0
 25 20  1  0  0  0  0
 26 25  1  0  0  0  0
  4  5  2  0  0  0  0
 20 23  1  0  0  0  0
 10  6  2  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <Mol_ID> (3,322)
3322

>  <Formula> (3,322)
C18H17N3O4S

>  <MolWeight> (3,322)
371.41028

>  <COMPOUND_NAME> (3,322)
WAY-348143

>  <BAR_CODE_NO> (3,322)
2558352

$$$$
WAY-348144
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    7.1417   -5.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5125   -5.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7417   -3.9792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.9542   -4.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8667   -3.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1792   -6.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4417   -6.4625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4792   -7.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5250  -14.8125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2292  -13.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1042   -7.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5917   -7.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2667   -8.9292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5500   -6.5167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9417  -10.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2917   -6.5625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2125   -7.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9375  -12.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2542  -11.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2667   -3.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9000   -1.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -11.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3167  -10.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3167  -12.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  3  0  0  0  0
 10 18  1  0  0  0  0
 11  7  2  0  0  0  0
 12 17  1  0  0  0  0
 13 12  1  0  0  0  0
 14  6  1  0  0  0  0
 15 13  1  0  0  0  0
 16 12  2  0  0  0  0
 17 14  1  0  0  0  0
 18 19  2  0  0  0  0
 19 15  1  0  0  0  0
 20  4  1  0  0  0  0
 21  5  1  0  0  0  0
 22 23  1  0  0  0  0
 23 15  2  0  0  0  0
 24 22  2  0  0  0  0
  5  4  2  0  0  0  0
  6  8  2  0  0  0  0
 24 18  1  0  0  0  0
M  END
>  <Mol_ID> (3,323)
3323

>  <Formula> (3,323)
C17H14N4O2S

>  <MolWeight> (3,323)
338.38366

>  <COMPOUND_NAME> (3,323)
WAY-348144

>  <BAR_CODE_NO> (3,323)
2558353

$$$$
WAY-348214
csChFnd80/06171916322D

 32 35  0  0  0  0  0  0  0  0999 V2000
    4.4417   -5.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3917   -4.2125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3625   -7.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6667   -6.5292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6917   -4.7375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2167   -5.6750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.6542   -7.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2167  -12.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8917   -7.3042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.3292   -9.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.5417  -11.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9625   -2.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7292   -6.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0917   -9.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7667  -11.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8167   -8.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3417  -14.5667    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.8417  -14.4250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -13.4667    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.6250   -9.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9417   -8.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1667   -8.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7917   -1.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7292   -2.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5042  -10.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0667   -8.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3042   -0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4250  -11.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9875   -9.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3500    0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1042    0.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6625  -11.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9  6  1  0  0  0  0
 10  7  1  0  0  0  0
 11 15  2  0  0  0  0
 12  2  1  0  0  0  0
 13  7  2  0  0  0  0
 14 10  1  0  0  0  0
 15 14  1  0  0  0  0
 16  9  1  0  0  0  0
 17  8  1  0  0  0  0
 18  8  1  0  0  0  0
 19  8  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 14  2  0  0  0  0
 23 12  1  0  0  0  0
 24 12  2  0  0  0  0
 25 16  2  0  0  0  0
 26 16  1  0  0  0  0
 27 24  1  0  0  0  0
 28 25  1  0  0  0  0
 29 26  2  0  0  0  0
 30 23  2  0  0  0  0
 31 27  2  0  0  0  0
 32 29  1  0  0  0  0
  4  5  2  0  0  0  0
 30 31  1  0  0  0  0
 28 32  2  0  0  0  0
 11 20  1  0  0  0  0
M  END
>  <Mol_ID> (3,324)
3324

>  <Formula> (3,324)
C22H16F3N5OS

>  <MolWeight> (3,324)
455.4555496

>  <COMPOUND_NAME> (3,324)
WAY-348214

>  <BAR_CODE_NO> (3,324)
2558504

$$$$
WAY-348221
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -2.2862    1.1099    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4069    1.5410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9207   -0.0142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2931    1.7858    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3552    0.7858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5966    2.7168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7310   -0.0142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6379   -1.0176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3276    1.0651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2690    3.0237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4586    1.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7034    3.1479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0207   -1.0280    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8103    1.3893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6414    2.3755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1793   -1.0280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8172   -2.1004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7759    0.0099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0172   -2.1142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6517   -1.0556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6103   -3.1487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8724   -1.0866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8448   -3.1590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4345   -2.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6345   -2.2176    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
  7  9  2  0  0  0  0
 12 15  2  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (3,325)
3325

>  <Formula> (3,325)
C19H18ClN3O2

>  <MolWeight> (3,325)
355.81812

>  <COMPOUND_NAME> (3,325)
WAY-348221

>  <BAR_CODE_NO> (3,325)
2558511

$$$$
WAY-348287
csChFnd80/06171916322D

 29 31  0  0  0  0  0  0  0  0999 V2000
    9.9000   -4.8042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6000   -5.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5792   -6.5792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6875   -5.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8792   -7.0125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9417  -12.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6250  -11.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9917   -9.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6750   -8.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6500   -9.4167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.6417  -10.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9667  -11.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0292   -5.9250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.0167   -7.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6000   -4.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9667  -10.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7000   -5.9542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1042  -13.6000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.2500  -14.0792    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.7875  -12.2250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.6792   -7.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7250   -3.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4917   -4.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3292   -3.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -10.6042    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.6417   -3.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5042   -4.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7417   -2.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6417   -2.3292    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  7  1  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
 10  8  2  0  0  0  0
 11  8  1  0  0  0  0
 12 11  2  0  0  0  0
 13  4  1  0  0  0  0
 14 21  1  0  0  0  0
 15  2  1  0  0  0  0
 16 10  1  0  0  0  0
 17 14  2  0  0  0  0
 18  6  1  0  0  0  0
 19  6  1  0  0  0  0
 20  6  1  0  0  0  0
 21 13  1  0  0  0  0
 22 15  2  0  0  0  0
 23 15  1  0  0  0  0
 24  1  1  0  0  0  0
 25 11  1  0  0  0  0
 26 27  1  0  0  0  0
 27 23  2  0  0  0  0
 28 22  1  0  0  0  0
 29 26  1  0  0  0  0
  5  3  1  0  0  0  0
 28 26  2  0  0  0  0
 16  7  2  0  0  0  0
M  END
>  <Mol_ID> (3,326)
3326

>  <Formula> (3,326)
C17H12ClF4N5OS

>  <MolWeight> (3,326)
445.8216928

>  <COMPOUND_NAME> (3,326)
WAY-348287

>  <BAR_CODE_NO> (3,326)
2558481

$$$$
WAY-348366
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
    4.7042   -2.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9792    0.0208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9625   -2.8917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4875    1.4708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7250   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4542   -2.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9417   -4.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7042   -0.7167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9792    1.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2292   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4542   -4.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917   -2.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9417   -2.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917   -5.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4625    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7250   -2.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2167   -2.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083   -5.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2292    2.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4875    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4625   -2.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2167   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7417    2.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5625   -4.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083   -6.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000    1.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5625   -7.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8208   -5.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8208   -6.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  1  1  0  0  0  0
  4 20  1  0  0  0  0
  5 15  1  0  0  0  0
  6  1  1  0  0  0  0
  7 13  1  0  0  0  0
  8  1  2  0  0  0  0
  9  2  1  0  0  0  0
 10  2  1  0  0  0  0
 11  6  2  0  0  0  0
 12  6  1  0  0  0  0
 13 12  2  0  0  0  0
 14 11  1  0  0  0  0
 15 22  2  0  0  0  0
 16 21  1  0  0  0  0
 17  3  1  0  0  0  0
 18  7  1  0  0  0  0
 19  9  1  0  0  0  0
 20 10  1  0  0  0  0
 21 17  2  0  0  0  0
 22 17  1  0  0  0  0
 23  4  1  0  0  0  0
 24 18  1  0  0  0  0
 25 18  2  0  0  0  0
 26 23  1  0  0  0  0
 27 25  1  0  0  0  0
 28 24  2  0  0  0  0
 29 27  2  0  0  0  0
 14  7  2  0  0  0  0
  5 16  2  0  0  0  0
 29 28  1  0  0  0  0
 19  4  1  0  0  0  0
M  END
>  <Mol_ID> (3,327)
3327

>  <Formula> (3,327)
C25H27N3O

>  <MolWeight> (3,327)
385.50138

>  <COMPOUND_NAME> (3,327)
WAY-348366

>  <BAR_CODE_NO> (3,327)
2558395

$$$$
WAY-348380
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
   13.0917    3.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3917    4.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1500    0.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6792    3.8375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9917    2.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5792    2.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7917    3.6208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5667    4.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3667    3.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1875    2.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7500    0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5125   -1.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4042    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0625    1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5375    1.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2125    1.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3917    6.3917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4625   -2.3417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4500    3.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8500    3.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9042   -1.2250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6125    1.5500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.7750    0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000    0.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5875   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1875   -0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3 11  2  0  0  0  0
  4  2  1  0  0  0  0
  5  7  1  0  0  0  0
  6  1  1  0  0  0  0
  7  9  1  0  0  0  0
  8  1  2  0  0  0  0
  9  8  1  0  0  0  0
 10  6  2  0  0  0  0
 11 13  1  0  0  0  0
 12  3  1  0  0  0  0
 13  5  1  0  0  0  0
 14 15  1  0  0  0  0
 15  9  2  0  0  0  0
 16 20  2  0  0  0  0
 17  2  2  0  0  0  0
 18 12  2  0  0  0  0
 19 13  2  0  0  0  0
 20 19  1  0  0  0  0
 21 12  1  0  0  0  0
 22 16  1  0  0  0  0
 23  6  1  0  0  0  0
 24 10  1  0  0  0  0
 25 23  2  0  0  0  0
 26 25  1  0  0  0  0
  4 10  1  0  0  0  0
  5 14  2  0  0  0  0
 26 24  2  0  0  0  0
  3 16  1  0  0  0  0
M  END
>  <Mol_ID> (3,328)
3328

>  <Formula> (3,328)
C20H12ClNO4

>  <MolWeight> (3,328)
365.76658

>  <COMPOUND_NAME> (3,328)
WAY-348380

>  <BAR_CODE_NO> (3,328)
2558410

$$$$
WAY-348385
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
    4.6544    1.1593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9793    2.3713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0558    1.0981    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7736    2.3713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6971    3.5890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0971    3.5890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7101    0.1282    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.1736    2.4183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5750    2.0566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4895    0.7093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9793    4.8566    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8402    3.6147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0469    4.8694    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.9014    1.2604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1906    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2501    3.6660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2558    1.2861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9267    2.4539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  1  1  0  0  0  0
  8  4  1  0  0  0  0
  9  2  1  0  0  0  0
 10  7  1  0  0  0  0
 11  5  2  0  0  0  0
 12  8  1  0  0  0  0
 13 12  1  0  0  0  0
 14  8  2  0  0  0  0
 15 10  1  0  0  0  0
 16 12  2  0  0  0  0
 17 15  1  0  0  0  0
 18 14  1  0  0  0  0
 19 18  2  0  0  0  0
  9 10  2  0  0  0  0
  5  6  1  0  0  0  0
 16 19  1  0  0  0  0
M  END
>  <Mol_ID> (3,329)
3329

>  <Formula> (3,329)
C14H10FNO2S

>  <MolWeight> (3,329)
275.2981032

>  <COMPOUND_NAME> (3,329)
WAY-348385

>  <BAR_CODE_NO> (3,329)
2558414

$$$$
WAY-348418
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
    5.2417   -3.6125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4542   -4.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9875   -8.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4292   -6.0750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3292   -5.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2125  -10.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6167  -11.4167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2000   -6.6792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8542   -8.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2417  -10.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8417   -1.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9375   -3.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0375   -6.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2167   -5.1375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.1542   -6.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6875   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542   -0.0792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9875   -5.1542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4375  -13.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1542   -1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3792  -10.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -11.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5875   -0.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2125   -3.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9250   -2.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2917    0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3083   -2.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1792    1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0417    1.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3 13  1  0  0  0  0
  4  2  2  0  0  0  0
  5  1  1  0  0  0  0
  6  3  2  0  0  0  0
  7  6  1  0  0  0  0
  8  5  2  0  0  0  0
  9  3  1  0  0  0  0
 10  9  2  0  0  0  0
 11  1  1  0  0  0  0
 12  2  1  0  0  0  0
 13 15  1  0  0  0  0
 14  5  1  0  0  0  0
 15 14  1  0  0  0  0
 16 11  1  0  0  0  0
 17 20  2  0  0  0  0
 18 13  2  0  0  0  0
 19  7  1  0  0  0  0
 20 12  1  0  0  0  0
 21  6  1  0  0  0  0
 22 10  1  0  0  0  0
 23 11  2  0  0  0  0
 24 12  2  0  0  0  0
 25 28  2  0  0  0  0
 26 16  1  0  0  0  0
 27 16  2  0  0  0  0
 28 24  1  0  0  0  0
 29 23  1  0  0  0  0
 30 29  2  0  0  0  0
  4  8  1  0  0  0  0
 30 27  1  0  0  0  0
 25 17  1  0  0  0  0
 10  7  1  0  0  0  0
M  END
>  <Mol_ID> (3,330)
3330

>  <Formula> (3,330)
C23H23N5OS

>  <MolWeight> (3,330)
417.52662

>  <COMPOUND_NAME> (3,330)
WAY-348418

>  <BAR_CODE_NO> (3,330)
2558583

$$$$
WAY-348433
csChFnd80/06171916322D

 15 16  0  0  0  0  0  0  0  0999 V2000
    2.5917   -3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8917   -3.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5917   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0292   -5.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2417   -3.1292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4917   -5.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6375   -0.9042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2417   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3458    1.3500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  2  0  0  0  0
  6  2  1  0  0  0  0
  7  9  2  0  0  0  0
  8 14  2  0  0  0  0
  9  4  1  0  0  0  0
 10  5  1  0  0  0  0
 11  3  2  0  0  0  0
 12  6  1  0  0  0  0
 13  4  2  0  0  0  0
 14 13  1  0  0  0  0
 15  8  1  0  0  0  0
 10 12  2  0  0  0  0
  7  8  1  0  0  0  0
M  END
>  <Mol_ID> (3,331)
3331

>  <Formula> (3,331)
C9H6ClN3OS

>  <MolWeight> (3,331)
239.68144

>  <COMPOUND_NAME> (3,331)
WAY-348433

>  <BAR_CODE_NO> (3,331)
2558628

$$$$
WAY-348450
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
    8.1500   -6.3542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0042   -6.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9792   -7.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8292   -7.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1000   -8.2917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4917   -5.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0167   -6.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6625   -4.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0292   -7.3667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.6667   -4.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8042   -8.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0042  -10.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4292  -11.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3792   -9.5042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0042   -3.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9542   -9.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6792  -11.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1125   -4.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -10.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4250   -7.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6000   -8.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9542  -10.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0125   -3.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1875   -2.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1042   -4.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9375   -6.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4875   -5.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0292   -4.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5292   -1.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9500   -5.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  6  2  0  0  0  0
  9  4  1  0  0  0  0
 10  6  1  0  0  0  0
 11 21  1  0  0  0  0
 12 22  1  0  0  0  0
 13 12  1  0  0  0  0
 14 11  1  0  0  0  0
 15  8  1  0  0  0  0
 16 12  2  0  0  0  0
 17 13  1  0  0  0  0
 18 25  2  0  0  0  0
 19 16  1  0  0  0  0
 20 11  2  0  0  0  0
 21  9  1  0  0  0  0
 22 14  1  0  0  0  0
 23 10  2  0  0  0  0
 24 23  1  0  0  0  0
 25  7  1  0  0  0  0
 26  7  2  0  0  0  0
 27  8  1  0  0  0  0
 28 30  2  0  0  0  0
 29 24  1  0  0  0  0
 30 26  1  0  0  0  0
  3  5  1  0  0  0  0
 15 24  2  0  0  0  0
 28 18  1  0  0  0  0
 17 19  2  0  0  0  0
M  END
>  <Mol_ID> (3,332)
3332

>  <Formula> (3,332)
C22H21N5O2S

>  <MolWeight> (3,332)
419.49944

>  <COMPOUND_NAME> (3,332)
WAY-348450

>  <BAR_CODE_NO> (3,332)
2558644

$$$$
WAY-348476
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    7.9875   -6.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0125   -9.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7917   -7.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3792  -11.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4167  -12.1667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9000   -8.3542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5417   -7.8542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6000   -6.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.4375  -10.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6792  -11.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4792   -4.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3292   -8.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2292   -7.2667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.8917   -4.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8917   -8.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1042   -7.3792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2292  -13.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9667  -11.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3917   -3.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -12.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5542   -3.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0500   -2.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4667   -1.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8125   -2.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 12  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  4  1  0  0  0  0
  6  3  2  0  0  0  0
  7  8  2  0  0  0  0
  8  1  1  0  0  0  0
  9  2  1  0  0  0  0
 10  9  2  0  0  0  0
 11  1  1  0  0  0  0
 12 15  1  0  0  0  0
 13  3  1  0  0  0  0
 14 11  1  0  0  0  0
 15 13  1  0  0  0  0
 16 12  2  0  0  0  0
 17  5  1  0  0  0  0
 18  4  1  0  0  0  0
 19 14  2  0  0  0  0
 20 10  1  0  0  0  0
 21 11  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 19  1  0  0  0  0
  6  7  1  0  0  0  0
 19 23  1  0  0  0  0
  5 10  1  0  0  0  0
M  END
>  <Mol_ID> (3,333)
3333

>  <Formula> (3,333)
C17H19N5OS

>  <MolWeight> (3,333)
341.43066

>  <COMPOUND_NAME> (3,333)
WAY-348476

>  <BAR_CODE_NO> (3,333)
2558649

$$$$
WAY-348525
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
    5.3625   -2.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5042   -1.4417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5042   -3.7875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.8042   -2.6250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1292   -3.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1292   -1.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3625   -3.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1000   -4.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8750   -4.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6542   -6.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6667   -4.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4792   -5.1042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8750   -1.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7792   -7.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7917   -5.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7875   -4.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6125   -3.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6125   -1.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3417   -6.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9792   -3.5292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3500   -5.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1042   -6.2250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6458   -4.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4167   -3.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -5.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8 11  1  0  0  0  0
  9  5  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12  7  2  0  0  0  0
 13  6  2  0  0  0  0
 14 19  2  0  0  0  0
 15 21  1  0  0  0  0
 16  7  1  0  0  0  0
 17  9  1  0  0  0  0
 18 13  1  0  0  0  0
 19 15  1  0  0  0  0
 20  8  1  0  0  0  0
 21 16  1  0  0  0  0
 22 10  1  0  0  0  0
 23 17  1  0  0  0  0
 24 20  1  0  0  0  0
 25 22  1  0  0  0  0
  6  5  1  0  0  0  0
 18 17  2  0  0  0  0
  8 10  2  0  0  0  0
M  END
>  <Mol_ID> (3,334)
3334

>  <Formula> (3,334)
C19H20N2O3S

>  <MolWeight> (3,334)
356.4387

>  <COMPOUND_NAME> (3,334)
WAY-348525

>  <BAR_CODE_NO> (3,334)
2558718

$$$$
WAY-348637
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
    8.6042   -4.8917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4542   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4417   -6.4542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3042   -5.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5792   -6.8417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.1375   -7.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9917   -3.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292   -7.9417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.8292   -6.9375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5125   -5.8750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.8625   -8.8917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.3125   -6.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4917   -4.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9792   -7.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1917   -2.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5542   -3.0917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9125   -5.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1042   -6.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1750   -3.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6750   -2.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4167   -4.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6292   -3.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3792   -5.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0125   -3.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5792   -1.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5625   -2.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7667   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  8  1  0  0  0  0
  7  1  1  0  0  0  0
  8 12  1  0  0  0  0
  9  6  2  0  0  0  0
 10  4  1  0  0  0  0
 11  6  1  0  0  0  0
 12 19  1  0  0  0  0
 13  2  1  0  0  0  0
 14  9  1  0  0  0  0
 15 11  1  0  0  0  0
 16  7  2  0  0  0  0
 17 22  2  0  0  0  0
 18 12  2  0  0  0  0
 19 10  1  0  0  0  0
 20  7  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 13  1  0  0  0  0
 24 13  2  0  0  0  0
 25 16  1  0  0  0  0
 26 16  1  0  0  0  0
 27 20  2  0  0  0  0
 28 27  1  0  0  0  0
  5  3  1  0  0  0  0
 26 28  2  0  0  0  0
 21 17  1  0  0  0  0
 15 14  2  0  0  0  0
M  END
>  <Mol_ID> (3,335)
3335

>  <Formula> (3,335)
C19H16N6OS2

>  <MolWeight> (3,335)
408.49994

>  <COMPOUND_NAME> (3,335)
WAY-348637

>  <BAR_CODE_NO> (3,335)
2558843

$$$$
WAY-348673
csChFnd80/06171916322D

 24 27  0  0  0  0  0  0  0  0999 V2000
    0.7070   -1.8064    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0320   -3.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7806   -1.6522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8945   -0.8564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3430   -4.0897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4306   -3.0397    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4570   -3.7814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6445   -2.8564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3153   -1.3814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6306   -0.2939    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9056    0.9478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1180   -0.3314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4431    0.8978    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1680    2.2811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6278    0.7436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0402   -3.4147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5820   -0.2939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6931    2.3311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9681    3.5603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8195    1.6686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2277    1.1811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9056    3.6645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2680    4.8770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6931    4.9353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  2  0  0  0  0
  6  3  2  0  0  0  0
  7  2  1  0  0  0  0
  8  9  1  0  0  0  0
  9  4  2  0  0  0  0
 10  3  1  0  0  0  0
 11 12  1  0  0  0  0
 12 10  1  0  0  0  0
 13 11  2  0  0  0  0
 14 11  1  0  0  0  0
 15  4  1  0  0  0  0
 16  8  1  0  0  0  0
 17  9  1  0  0  0  0
 18 14  2  0  0  0  0
 19 14  1  0  0  0  0
 20 15  2  0  0  0  0
 21 20  1  0  0  0  0
 22 18  1  0  0  0  0
 23 19  2  0  0  0  0
 24 23  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  2  0  0  0  0
 17 21  2  0  0  0  0
 22 24  2  0  0  0  0
M  END
>  <Mol_ID> (3,336)
3336

>  <Formula> (3,336)
C19H15N3OS

>  <MolWeight> (3,336)
333.4069

>  <COMPOUND_NAME> (3,336)
WAY-348673

>  <BAR_CODE_NO> (3,336)
2558879

$$$$
WAY-348712
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    1.2792  -10.0125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4625  -11.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1875  -10.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5750  -12.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8792  -13.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4083   -4.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4208   -3.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4750   -6.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3292   -4.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3500   -1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4500  -12.0667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4792   -8.8125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4708   -8.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292   -8.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2792   -1.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4625   -3.2417    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5375   -6.5875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2542   -3.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2125    0.1875    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.2292  -13.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8625  -15.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958   -8.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2000  -15.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5167  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  8  1  0  0  0  0
  7  6  1  0  0  0  0
  8 17  1  0  0  0  0
  9  6  2  0  0  0  0
 10  7  2  0  0  0  0
 11  2  2  0  0  0  0
 12  3  2  0  0  0  0
 13  8  2  0  0  0  0
 14  1  1  0  0  0  0
 15 18  2  0  0  0  0
 16  7  1  0  0  0  0
 17 22  1  0  0  0  0
 18  9  1  0  0  0  0
 19 15  1  0  0  0  0
 20  4  1  0  0  0  0
 21  5  1  0  0  0  0
 22 14  1  0  0  0  0
 23 20  2  0  0  0  0
 24 21  2  0  0  0  0
  4  5  2  0  0  0  0
 23 24  1  0  0  0  0
 15 10  1  0  0  0  0
M  END
>  <Mol_ID> (3,337)
3337

>  <Formula> (3,337)
C17H11F2NO4

>  <MolWeight> (3,337)
331.2703464

>  <COMPOUND_NAME> (3,337)
WAY-348712

>  <BAR_CODE_NO> (3,337)
2558953

$$$$
WAY-348743
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
    8.5542   -4.4667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1292   -3.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0417   -5.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9542   -1.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -14.4917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4875   -3.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6917   -1.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5250   -0.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1417   -0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9292   -4.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1625  -13.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8667   -7.3292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3750   -5.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8542   -4.4792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5875   -1.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3875   -3.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3250  -11.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6917   -8.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7167    1.2458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0792   -1.6417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1542  -10.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6792  -11.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3417   -8.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8667  -10.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2417   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0792    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 10  1  0  0  0  0
  3 13  1  0  0  0  0
  4 15  1  0  0  0  0
  5 11  3  0  0  0  0
  6  2  1  0  0  0  0
  7  6  2  0  0  0  0
  8  9  2  0  0  0  0
  9  4  1  0  0  0  0
 10  1  1  0  0  0  0
 11 17  1  0  0  0  0
 12  3  1  0  0  0  0
 13  1  1  0  0  0  0
 14  3  2  0  0  0  0
 15 16  1  0  0  0  0
 16  1  1  0  0  0  0
 17 22  2  0  0  0  0
 18 12  1  0  0  0  0
 19  8  1  0  0  0  0
 20  7  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 18  1  0  0  0  0
 24 18  2  0  0  0  0
 25 20  1  0  0  0  0
 26 19  1  0  0  0  0
  2  4  2  0  0  0  0
  7  8  1  0  0  0  0
 21 17  1  0  0  0  0
M  END
>  <Mol_ID> (3,338)
3338

>  <Formula> (3,338)
C20H21N3O3

>  <MolWeight> (3,338)
351.39904

>  <COMPOUND_NAME> (3,338)
WAY-348743

>  <BAR_CODE_NO> (3,338)
2558985

$$$$
WAY-348810
csChFnd80/06171916322D

 23 26  0  0  0  0  0  0  0  0999 V2000
   10.9792  -11.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5875  -12.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7792  -11.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7792  -11.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7667  -12.7000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.8875  -11.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9917  -14.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1792  -12.9542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1875  -10.8917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8000  -14.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9792   -8.8167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.9167  -10.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7792   -9.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9792  -10.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1875   -8.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3792   -9.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3667   -7.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2000  -15.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9625  -11.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9125   -9.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9500   -9.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -10.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9917   -9.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  2  0  0  0  0
  7  2  1  0  0  0  0
  8  3  2  0  0  0  0
  9  3  1  0  0  0  0
 10  8  1  0  0  0  0
 11 16  1  0  0  0  0
 12  6  1  0  0  0  0
 13  9  1  0  0  0  0
 14  9  1  0  0  0  0
 15 13  1  0  0  0  0
 16 14  1  0  0  0  0
 17 11  1  0  0  0  0
 18 10  1  0  0  0  0
 19 12  1  0  0  0  0
 20 12  2  0  0  0  0
 21 20  1  0  0  0  0
 22 19  2  0  0  0  0
 23 21  2  0  0  0  0
  6  5  1  0  0  0  0
 10  7  2  0  0  0  0
 15 11  1  0  0  0  0
 23 22  1  0  0  0  0
M  END
>  <Mol_ID> (3,339)
3339

>  <Formula> (3,339)
C18H20N4S

>  <MolWeight> (3,339)
324.4432

>  <COMPOUND_NAME> (3,339)
WAY-348810

>  <BAR_CODE_NO> (3,339)
2558925

$$$$
WAY-348908
csChFnd80/06171916322D

 32 36  0  0  0  0  0  0  0  0999 V2000
   11.2542   -6.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5625   -5.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5667   -7.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1917   -5.6417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1917   -8.0125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5875   -6.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5042   -6.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4792   -4.6167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.7292   -5.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0625   -3.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4375   -5.6375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3792   -2.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2667   -9.1792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1167   -6.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6417   -7.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0042    0.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3042    1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4375   -3.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3792   -4.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9375    1.4875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0625   -0.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0042   -2.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3750    0.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167   -0.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1250   -4.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0667   -5.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9875    2.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9167   -6.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4167   -8.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4792   -9.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7667   -9.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  5  1  0  0  0  0
  8  2  1  0  0  0  0
  9  6  2  0  0  0  0
 10 19  1  0  0  0  0
 11 14  1  0  0  0  0
 12 10  1  0  0  0  0
 13  3  2  0  0  0  0
 14  7  1  0  0  0  0
 15  6  1  0  0  0  0
 16 24  2  0  0  0  0
 17 16  1  0  0  0  0
 18 25  1  0  0  0  0
 19 26  1  0  0  0  0
 20 17  2  0  0  0  0
 21 12  1  0  0  0  0
 22 12  2  0  0  0  0
 23 21  2  0  0  0  0
 24 22  1  0  0  0  0
 25 11  1  0  0  0  0
 26 11  1  0  0  0  0
 27 17  1  0  0  0  0
 28 15  2  0  0  0  0
 29 15  1  0  0  0  0
 30 28  1  0  0  0  0
 31 29  2  0  0  0  0
 32 31  1  0  0  0  0
  9  8  1  0  0  0  0
  4  7  2  0  0  0  0
 30 32  2  0  0  0  0
 10 18  1  0  0  0  0
 23 16  1  0  0  0  0
M  END
>  <Mol_ID> (3,340)
3340

>  <Formula> (3,340)
C25H24N4O2S

>  <MolWeight> (3,340)
444.54866

>  <COMPOUND_NAME> (3,340)
WAY-348908

>  <BAR_CODE_NO> (3,340)
2559136

$$$$
WAY-348922
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
    9.3167   -9.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5917   -8.5542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5375   -9.5625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5917  -10.5375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.1417  -10.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3542  -10.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4375   -8.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4375  -10.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1750   -9.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.7875  -10.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9542   -9.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5375  -11.6542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9625  -11.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1792  -11.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -10.6042    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.3792   -8.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3792  -10.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3167   -8.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3167  -10.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  2  1  0  0  0  0
  8  4  1  0  0  0  0
  9 11  2  0  0  0  0
 10 14  2  0  0  0  0
 11  6  1  0  0  0  0
 12  5  2  0  0  0  0
 13  6  2  0  0  0  0
 14 13  1  0  0  0  0
 15 10  1  0  0  0  0
 16  7  2  0  0  0  0
 17  8  2  0  0  0  0
 18 16  1  0  0  0  0
 19 17  1  0  0  0  0
  8  7  1  0  0  0  0
 19 18  2  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <Mol_ID> (3,341)
3341

>  <Formula> (3,341)
C13H8ClN3OS

>  <MolWeight> (3,341)
289.74012

>  <COMPOUND_NAME> (3,341)
WAY-348922

>  <BAR_CODE_NO> (3,341)
2559151

$$$$
WAY-349079
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
    6.4292   -9.1250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.3500   -9.1375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8042   -8.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4917   -9.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4167   -8.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4292  -10.1917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2167  -10.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3292   -7.2792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7375   -8.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6917   -9.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8042  -10.9792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.6917  -10.9625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0250  -10.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0250   -8.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2792  -10.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6292   -9.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8750  -10.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0917  -10.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1000   -8.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7292   -6.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8042   -6.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000   -7.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3917  -11.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4167  -10.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4542  -11.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4750  -10.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -11.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  2  0  0  0  0
  7 10  1  0  0  0  0
  8  3  2  0  0  0  0
  9  3  1  0  0  0  0
 10 16  1  0  0  0  0
 11 15  1  0  0  0  0
 12  7  2  0  0  0  0
 13  4  2  0  0  0  0
 14  4  1  0  0  0  0
 15  7  1  0  0  0  0
 16 19  1  0  0  0  0
 17 11  1  0  0  0  0
 18 13  1  0  0  0  0
 19 14  2  0  0  0  0
 20 22  1  0  0  0  0
 21  8  1  0  0  0  0
 22  9  2  0  0  0  0
 23 17  2  0  0  0  0
 24 17  1  0  0  0  0
 25 23  1  0  0  0  0
 26 24  2  0  0  0  0
 27 26  1  0  0  0  0
 18 16  2  0  0  0  0
 20 21  2  0  0  0  0
 27 25  2  0  0  0  0
M  END
>  <Mol_ID> (3,342)
3342

>  <Formula> (3,342)
C18H16N4O3S2

>  <MolWeight> (3,342)
400.47464

>  <COMPOUND_NAME> (3,342)
WAY-349079

>  <BAR_CODE_NO> (3,342)
2559227

$$$$
WAY-349108
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
    7.4042   -5.5917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1542   -6.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3250   -7.7417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0667   -7.2875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1167   -5.9417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8625   -4.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4875   -6.7375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.0375  -10.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0750   -9.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4125   -9.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4417   -7.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3292  -11.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1750   -4.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3667  -10.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1042   -7.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9542  -12.6750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3667  -10.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1417   -6.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0000  -11.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6375   -2.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0042   -3.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4667   -2.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -11.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2917  -12.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7792   -1.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9542   -2.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10  9  2  0  0  0  0
 11 15  1  0  0  0  0
 12 19  1  0  0  0  0
 13  6  1  0  0  0  0
 14  8  1  0  0  0  0
 15  7  1  0  0  0  0
 16 12  1  0  0  0  0
 17  9  1  0  0  0  0
 18 11  2  0  0  0  0
 19 17  2  0  0  0  0
 20 13  2  0  0  0  0
 21  6  2  0  0  0  0
 22 21  1  0  0  0  0
 23 14  1  0  0  0  0
 24 16  1  0  0  0  0
 25 22  2  0  0  0  0
 26 20  1  0  0  0  0
  3  4  1  0  0  0  0
 20 25  1  0  0  0  0
 12  8  2  0  0  0  0
 24 23  1  0  0  0  0
M  END
>  <Mol_ID> (3,343)
3343

>  <Formula> (3,343)
C18H16N4O3S

>  <MolWeight> (3,343)
368.40964

>  <COMPOUND_NAME> (3,343)
WAY-349108

>  <BAR_CODE_NO> (3,343)
2559256

$$$$
WAY-349450
csChFnd80/06171916322D

 22 25  0  0  0  0  0  0  0  0999 V2000
    9.8417  -10.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0792   -9.0417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0792  -11.1292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.1292  -10.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.6917  -12.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2167  -13.7167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.9667  -12.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7667  -11.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8542   -9.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1625  -13.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8542  -10.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0500  -11.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1125  -14.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1250  -12.3250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9375  -13.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7375   -8.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7375  -11.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8417  -15.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6750  -15.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6167   -9.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6167  -10.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6417  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5 12  1  0  0  0  0
  6  7  1  0  0  0  0
  7  5  2  0  0  0  0
  8  4  1  0  0  0  0
  9  2  1  0  0  0  0
 10  5  1  0  0  0  0
 11  3  1  0  0  0  0
 12  8  1  0  0  0  0
 13 10  2  0  0  0  0
 14  8  2  0  0  0  0
 15 10  1  0  0  0  0
 16  9  2  0  0  0  0
 17 11  2  0  0  0  0
 18 13  1  0  0  0  0
 19 15  2  0  0  0  0
 20 16  1  0  0  0  0
 21 17  1  0  0  0  0
 22 19  1  0  0  0  0
  9 11  1  0  0  0  0
 20 21  2  0  0  0  0
 13  6  1  0  0  0  0
 18 22  2  0  0  0  0
M  END
>  <Mol_ID> (3,344)
3344

>  <Formula> (3,344)
C17H13N3OS

>  <MolWeight> (3,344)
307.36962

>  <COMPOUND_NAME> (3,344)
WAY-349450

>  <BAR_CODE_NO> (3,344)
2559639

$$$$
WAY-349451
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
   10.9042   -9.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1792  -10.6042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2042   -8.6375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.1250   -9.6292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5500  -11.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0417   -9.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -13.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7542  -11.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0292  -10.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7292  -10.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0417  -12.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9417  -10.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0000   -8.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9417  -13.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1167  -11.7375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9750  -10.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9292   -8.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9250  -10.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8750   -8.3417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8875  -13.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6875  -14.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8042   -8.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7542   -8.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6292  -14.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5500  -15.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5 12  1  0  0  0  0
  6  3  1  0  0  0  0
  7  8  1  0  0  0  0
  8  5  2  0  0  0  0
  9  2  1  0  0  0  0
 10  4  1  0  0  0  0
 11  5  1  0  0  0  0
 12 10  1  0  0  0  0
 13  6  2  0  0  0  0
 14 11  2  0  0  0  0
 15 10  2  0  0  0  0
 16  9  2  0  0  0  0
 17 13  1  0  0  0  0
 18 16  1  0  0  0  0
 19 17  1  0  0  0  0
 20 11  1  0  0  0  0
 21 14  1  0  0  0  0
 22 19  1  0  0  0  0
 23 22  1  0  0  0  0
 24 20  2  0  0  0  0
 25 24  1  0  0  0  0
  9  6  1  0  0  0  0
 18 17  2  0  0  0  0
 14  7  1  0  0  0  0
 21 25  2  0  0  0  0
M  END
>  <Mol_ID> (3,345)
3345

>  <Formula> (3,345)
C19H17N3O2S

>  <MolWeight> (3,345)
351.42218

>  <COMPOUND_NAME> (3,345)
WAY-349451

>  <BAR_CODE_NO> (3,345)
2559640

$$$$
WAY-349617
csChFnd80/06171916322D

 21 22  0  0  0  0  0  0  0  0999 V2000
   11.6250   -7.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6625   -9.3417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5542   -5.8542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5250   -5.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6167   -5.7917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5167   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5792   -7.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6542  -11.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6167   -2.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4125   -7.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4292   -3.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2917    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6417  -10.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9167  -12.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3542   -7.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3500   -5.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0792  -12.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6917  -14.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1250  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8500  -14.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1167  -15.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  7  1  0  0  0  0
  4  3  1  0  0  0  0
  5  1  2  0  0  0  0
  6  4  2  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  6  1  0  0  0  0
 10  4  1  0  0  0  0
 11  6  1  0  0  0  0
 12  9  1  0  0  0  0
 13  8  1  0  0  0  0
 14  8  1  0  0  0  0
 15 10  2  0  0  0  0
 16 15  1  0  0  0  0
 17 13  1  0  0  0  0
 18 14  1  0  0  0  0
 19 18  1  0  0  0  0
 20 17  1  0  0  0  0
 21 19  1  0  0  0  0
 11 16  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (3,346)
3346

>  <Formula> (3,346)
C17H25NO3

>  <MolWeight> (3,346)
291.3853

>  <COMPOUND_NAME> (3,346)
WAY-349617

>  <BAR_CODE_NO> (3,346)
2559873

$$$$
WAY-349701
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
    8.1875   -6.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2042  -10.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0167   -7.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4250  -11.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3750  -12.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6417  -10.5375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.7417  -12.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1000   -8.5667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7125   -8.0542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7667   -6.5750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6917   -4.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6542   -8.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4917   -7.4542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.0167  -13.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1792   -8.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1417   -4.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3000   -7.4792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6042  -14.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9542  -11.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -12.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6542   -3.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7500   -3.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2542   -2.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0875  -15.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7125   -2.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1125   -2.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 12  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  4  1  0  0  0  0
  6  2  1  0  0  0  0
  7  6  1  0  0  0  0
  8  3  2  0  0  0  0
  9 10  2  0  0  0  0
 10  1  1  0  0  0  0
 11  1  1  0  0  0  0
 12 15  1  0  0  0  0
 13  3  1  0  0  0  0
 14  5  1  0  0  0  0
 15 13  1  0  0  0  0
 16 11  1  0  0  0  0
 17 12  2  0  0  0  0
 18 14  2  0  0  0  0
 19  4  1  0  0  0  0
 20  7  1  0  0  0  0
 21 16  2  0  0  0  0
 22 11  2  0  0  0  0
 23 22  1  0  0  0  0
 24 14  1  0  0  0  0
 25 23  2  0  0  0  0
 26 21  1  0  0  0  0
  9  8  1  0  0  0  0
 25 21  1  0  0  0  0
  5  7  2  0  0  0  0
M  END
>  <Mol_ID> (3,347)
3347

>  <Formula> (3,347)
C18H19N5O2S

>  <MolWeight> (3,347)
369.44076

>  <COMPOUND_NAME> (3,347)
WAY-349701

>  <BAR_CODE_NO> (3,347)
2559949

$$$$
WAY-349714
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
   11.5750   -5.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2167   -6.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3125   -5.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2042   -4.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4792   -6.5750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6667   -4.4292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3542   -2.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4625   -4.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1042   -5.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7042   -1.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5875   -7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6792   -6.6167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3792   -4.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2792   -3.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6292   -2.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7417   -3.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4292   -1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3125   -0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3875    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6625    1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7667   -0.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7167    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0917   -3.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3667   -5.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4375    2.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3542   -3.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -4.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7 15  1  0  0  0  0
  8  4  1  0  0  0  0
  9  8  2  0  0  0  0
 10  7  1  0  0  0  0
 11  2  2  0  0  0  0
 12  3  2  0  0  0  0
 13  6  1  0  0  0  0
 14  6  1  0  0  0  0
 15 14  1  0  0  0  0
 16 13  1  0  0  0  0
 17 10  2  0  0  0  0
 18 10  1  0  0  0  0
 19 20  1  0  0  0  0
 20 18  2  0  0  0  0
 21 17  1  0  0  0  0
 22 19  1  0  0  0  0
 23  8  1  0  0  0  0
 24  9  1  0  0  0  0
 25 22  1  0  0  0  0
 26 23  2  0  0  0  0
 27 26  1  0  0  0  0
  5  9  1  0  0  0  0
 16  7  1  0  0  0  0
 27 24  2  0  0  0  0
 21 19  2  0  0  0  0
M  END
>  <Mol_ID> (3,348)
3348

>  <Formula> (3,348)
C21H20N2O4

>  <MolWeight> (3,348)
364.3945

>  <COMPOUND_NAME> (3,348)
WAY-349714

>  <BAR_CODE_NO> (3,348)
2559962

$$$$
WAY-349777
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
   13.3542   -6.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3750   -5.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2250   -7.1542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.1042   -5.6542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.1042   -6.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2417   -5.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3917   -6.9375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4167   -5.3042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3792   -3.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7917   -2.7250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8167   -6.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8042   -4.3417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.3917   -3.5417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8542   -4.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8542   -3.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8917   -4.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9167   -4.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9917   -7.1667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2625   -4.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3917   -5.2917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9875   -2.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2042   -8.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -5.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1250   -4.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1250   -3.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2625   -4.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4042   -4.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5417   -4.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6875   -4.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9 13  1  0  0  0  0
 10  9  2  0  0  0  0
 11  7  2  0  0  0  0
 12  9  1  0  0  0  0
 13 16  1  0  0  0  0
 14 12  1  0  0  0  0
 15 10  1  0  0  0  0
 16 17  1  0  0  0  0
 17  8  1  0  0  0  0
 18  5  2  0  0  0  0
 19  6  2  0  0  0  0
 20 14  1  0  0  0  0
 21 16  2  0  0  0  0
 22 15  1  0  0  0  0
 23  3  1  0  0  0  0
 24  4  1  0  0  0  0
 25 20  2  0  0  0  0
 26 22  2  0  0  0  0
 27 25  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
  8 11  1  0  0  0  0
  4  6  1  0  0  0  0
 15 14  2  0  0  0  0
 26 25  1  0  0  0  0
M  END
>  <Mol_ID> (3,349)
3349

>  <Formula> (3,349)
C20H22N6O3S

>  <MolWeight> (3,349)
426.49208

>  <COMPOUND_NAME> (3,349)
WAY-349777

>  <BAR_CODE_NO> (3,349)
2560023

$$$$
WAY-349806
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
   11.0167   -3.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0292   -1.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6667   -4.2917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.3042   -1.4500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.3125   -3.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6667   -0.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2167   -3.9125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2292   -0.8417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4750    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3667    0.8375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292    1.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1042   -2.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3667    2.4583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167    3.9375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083    0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042    3.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3417    0.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2625    0.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -4.2792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6792    1.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7625    1.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4125   -0.8625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6542   -6.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9667   -0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7708    3.2958    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833   -1.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4083    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7458   -2.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4083   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9 13  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12  7  2  0  0  0  0
 13 17  1  0  0  0  0
 14  9  1  0  0  0  0
 15 11  1  0  0  0  0
 16 14  1  0  0  0  0
 17 18  1  0  0  0  0
 18  8  1  0  0  0  0
 19  5  2  0  0  0  0
 20  6  2  0  0  0  0
 21 15  2  0  0  0  0
 22 17  2  0  0  0  0
 23  3  1  0  0  0  0
 24  4  1  0  0  0  0
 25 21  1  0  0  0  0
 26 15  1  0  0  0  0
 27 21  1  0  0  0  0
 28 26  2  0  0  0  0
 29 28  1  0  0  0  0
 12  8  1  0  0  0  0
  6  4  1  0  0  0  0
 11 16  2  0  0  0  0
 29 27  2  0  0  0  0
M  END
>  <Mol_ID> (3,350)
3350

>  <Formula> (3,350)
C18H15ClN6O3S

>  <MolWeight> (3,350)
430.8681

>  <COMPOUND_NAME> (3,350)
WAY-349806

>  <BAR_CODE_NO> (3,350)
2560085

$$$$
WAY-349807
csChFnd80/06171916322D

 35 39  0  0  0  0  0  0  0  0999 V2000
   -1.1125    2.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2833    4.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042   -0.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5625    4.9375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1125   -0.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1500    4.8792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042    2.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2167    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2833   -2.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4000    4.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708   -4.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2833   -6.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5375    2.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708    6.9292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7083    2.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7708    6.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0292    6.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9792    2.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5625   -6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5625   -2.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6708   -4.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.8500    2.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708   -8.7375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0000    0.9000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -5.7333   -8.6542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2167    4.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5375    6.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.8167    6.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0000    4.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2833  -10.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9500   -8.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000    4.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6042    2.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  9  2  0  0  0  0
  4  2  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  7 18  1  0  0  0  0
  8  1  2  0  0  0  0
  9  8  1  0  0  0  0
 10  5  1  0  0  0  0
 11  7  1  0  0  0  0
 12 10  2  0  0  0  0
 13 12  1  0  0  0  0
 14 11  2  0  0  0  0
 15  2  2  0  0  0  0
 16  4  1  0  0  0  0
 17  4  1  0  0  0  0
 18 17  1  0  0  0  0
 19 16  1  0  0  0  0
 20 22  1  0  0  0  0
 21 10  1  0  0  0  0
 22 21  2  0  0  0  0
 23 14  1  0  0  0  0
 24 13  1  0  0  0  0
 25 23  1  0  0  0  0
 26 20  1  0  0  0  0
 27  8  1  0  0  0  0
 28 11  1  0  0  0  0
 29  9  1  0  0  0  0
 30 28  2  0  0  0  0
 31 30  1  0  0  0  0
 32 24  1  0  0  0  0
 33 26  1  0  0  0  0
 34 27  2  0  0  0  0
 35 34  1  0  0  0  0
  5  3  1  0  0  0  0
 35 29  2  0  0  0  0
 19  7  1  0  0  0  0
 20 13  2  0  0  0  0
 23 31  2  0  0  0  0
M  END
>  <Mol_ID> (3,351)
3351

>  <Formula> (3,351)
C28H26ClN3O3

>  <MolWeight> (3,351)
487.97734

>  <COMPOUND_NAME> (3,351)
WAY-349807

>  <BAR_CODE_NO> (3,351)
2560086

$$$$
WAY-349822
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.9061   -0.3447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6268    0.0760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1061   -0.1068    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9061   -1.2068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6268    0.9139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3475   -0.3447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3525   -0.8068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1268   -1.4447    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3475    1.3346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0647    0.0760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2146   -0.8240    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0647    0.9139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6525   -0.1068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8061    1.3346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4939   -0.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2525    0.6346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5475    0.8932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8939   -0.8861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9353    0.5760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7353   -0.9068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7732    0.5553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1732   -0.1861    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 15 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
  7  8  1  0  0  0  0
 10 12  2  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (3,352)
3352

>  <Formula> (3,352)
C16H13N3O2S

>  <MolWeight> (3,352)
311.35832

>  <COMPOUND_NAME> (3,352)
WAY-349822

>  <BAR_CODE_NO> (3,352)
2560047

$$$$
WAY-349858
csChFnd80/06171916322D

 22 23  0  0  0  0  0  0  0  0999 V2000
    8.6625   -5.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8792   -4.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9625   -5.7042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2667   -3.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9167   -6.7792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.6167   -6.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6542   -5.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6750   -6.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9417   -8.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3167   -9.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2792   -7.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3792   -2.4875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8000   -8.2917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0750   -7.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4792   -6.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0417   -9.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5375   -3.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4542   -8.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2042   -8.7625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9667  -10.9792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5542  -10.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9 11  1  0  0  0  0
 10 16  1  0  0  0  0
 11 14  2  0  0  0  0
 12  4  2  0  0  0  0
 13  6  2  0  0  0  0
 14 15  1  0  0  0  0
 15  6  1  0  0  0  0
 16 18  2  0  0  0  0
 17  4  1  0  0  0  0
 18 14  1  0  0  0  0
 19  9  1  0  0  0  0
 20 10  1  0  0  0  0
 21 19  1  0  0  0  0
 22 20  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  2  0  0  0  0
M  END
>  <Mol_ID> (3,353)
3353

>  <Formula> (3,353)
C15H16N2O4S

>  <MolWeight> (3,353)
320.36354

>  <COMPOUND_NAME> (3,353)
WAY-349858

>  <BAR_CODE_NO> (3,353)
2560152

$$$$
WAY-349864
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
   13.1250   -8.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1417   -7.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0667   -9.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.0292   -7.6417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.0167   -8.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0917   -7.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0792   -9.0250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1125   -7.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8167   -5.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1625   -4.4417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4500   -8.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1250   -4.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9125   -5.3292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1917   -6.2125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.4542   -6.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1542   -5.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5625   -6.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9792   -9.2917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1125   -5.9792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2542   -4.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9042   -7.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0417  -10.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3875   -3.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2542   -4.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5167   -2.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3792   -3.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5125   -2.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6375   -2.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7750   -1.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9 13  1  0  0  0  0
 10  9  2  0  0  0  0
 11  7  2  0  0  0  0
 12 10  1  0  0  0  0
 13 15  1  0  0  0  0
 14  9  1  0  0  0  0
 15 17  1  0  0  0  0
 16 14  1  0  0  0  0
 17  8  1  0  0  0  0
 18  5  2  0  0  0  0
 19  6  2  0  0  0  0
 20 12  1  0  0  0  0
 21 15  2  0  0  0  0
 22  3  1  0  0  0  0
 23  4  1  0  0  0  0
 24 20  1  0  0  0  0
 25 20  2  0  0  0  0
 26 24  2  0  0  0  0
 27 25  1  0  0  0  0
 28 27  2  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
  8 11  1  0  0  0  0
  4  6  1  0  0  0  0
 16 12  2  0  0  0  0
 28 26  1  0  0  0  0
M  END
>  <Mol_ID> (3,354)
3354

>  <Formula> (3,354)
C20H20N6O3S

>  <MolWeight> (3,354)
424.4762

>  <COMPOUND_NAME> (3,354)
WAY-349864

>  <BAR_CODE_NO> (3,354)
2560161

$$$$
WAY-350075
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
   12.9167   -8.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9417   -7.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9250   -8.8292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.9625   -7.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.9500   -8.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9625   -6.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8000   -8.5667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8417   -6.6750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3167   -4.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6292   -3.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1292   -7.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6292   -5.5500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.4917   -4.6125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5167   -4.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5167   -5.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0750   -5.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2542   -5.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9792   -8.8625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9875   -5.3167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5042   -3.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4875   -6.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9000  -10.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5042   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4792   -5.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4792   -4.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5042   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9 13  1  0  0  0  0
 10  9  2  0  0  0  0
 11  7  2  0  0  0  0
 12  9  1  0  0  0  0
 13 16  1  0  0  0  0
 14 10  1  0  0  0  0
 15 12  1  0  0  0  0
 16 17  1  0  0  0  0
 17  8  1  0  0  0  0
 18  5  2  0  0  0  0
 19  6  2  0  0  0  0
 20 14  1  0  0  0  0
 21 16  2  0  0  0  0
 22  3  1  0  0  0  0
 23  4  1  0  0  0  0
 24 15  1  0  0  0  0
 25 24  2  0  0  0  0
 26 20  2  0  0  0  0
 27 20  1  0  0  0  0
 11  8  1  0  0  0  0
  6  4  1  0  0  0  0
 14 15  2  0  0  0  0
 26 25  1  0  0  0  0
M  END
>  <Mol_ID> (3,355)
3355

>  <Formula> (3,355)
C17H16N6O3S

>  <MolWeight> (3,355)
384.41234

>  <COMPOUND_NAME> (3,355)
WAY-350075

>  <BAR_CODE_NO> (3,355)
2560327

$$$$
WAY-350325
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    4.2057    3.6840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8362    6.1257    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2312    6.1193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9168    4.8913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8802    2.4719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9406    7.3091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075    3.7126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1220    4.9342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3293    7.4411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2815    2.4528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3823    8.5928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1644    1.2741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6347    8.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4321    9.5090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0922    2.4099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3685    1.2025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9687    1.2280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0870    2.5101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7047    4.9629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0414    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6872    2.5339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.7524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  8  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  2  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9  6  1  0  0  0  0
 10  5  1  0  0  0  0
 11  6  2  0  0  0  0
 12  5  2  0  0  0  0
 13  9  1  0  0  0  0
 14 11  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 10  1  0  0  0  0
 18  7  2  0  0  0  0
 19  8  2  0  0  0  0
 20 16  1  0  0  0  0
 21 18  1  0  0  0  0
 22 21  2  0  0  0  0
  3  2  2  0  0  0  0
 19 22  1  0  0  0  0
 14 13  2  0  0  0  0
M  END
>  <Mol_ID> (3,356)
3356

>  <Formula> (3,356)
C17H13NO4

>  <MolWeight> (3,356)
295.28942

>  <COMPOUND_NAME> (3,356)
WAY-350325

>  <BAR_CODE_NO> (3,356)
2560572

$$$$
WAY-350372
csChFnd80/06171916322D

 34 37  0  0  0  0  0  0  0  0999 V2000
    6.5542   -3.1750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9417   -4.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9417   -2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9375   -2.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9375   -3.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6042   -3.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7167   -4.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3167   -5.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7542   -4.9417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8417   -6.6667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1375   -4.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1875   -4.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2667   -5.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2667   -1.3417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2875   -5.8250    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   14.4375   -9.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2000   -5.8792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8042   -4.9042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9667  -10.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3750   -7.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4042   -9.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9375   -8.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8792   -8.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4042   -7.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1292   -2.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0167   -4.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0167   -2.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7125   -3.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1792   -2.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -10.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4667  -11.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7375   -6.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1167   -3.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1167   -2.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7 12  1  0  0  0  0
  8 15  1  0  0  0  0
  9  7  1  0  0  0  0
 10  8  1  0  0  0  0
 11  6  2  0  0  0  0
 12 11  1  0  0  0  0
 13  2  2  0  0  0  0
 14  3  2  0  0  0  0
 15  9  1  0  0  0  0
 16 22  2  0  0  0  0
 17  7  2  0  0  0  0
 18  8  2  0  0  0  0
 19 16  1  0  0  0  0
 20 10  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 20  1  0  0  0  0
 24 20  2  0  0  0  0
 25  6  1  0  0  0  0
 26  5  2  0  0  0  0
 27  4  2  0  0  0  0
 28 29  1  0  0  0  0
 29 25  2  0  0  0  0
 30 19  1  0  0  0  0
 31 19  1  0  0  0  0
 32 15  1  0  0  0  0
 33 26  1  0  0  0  0
 34 27  1  0  0  0  0
  5  4  1  0  0  0  0
 28 12  2  0  0  0  0
 33 34  2  0  0  0  0
 21 16  1  0  0  0  0
M  END
>  <Mol_ID> (3,357)
3357

>  <Formula> (3,357)
C26H23N3O5

>  <MolWeight> (3,357)
457.47792

>  <COMPOUND_NAME> (3,357)
WAY-350372

>  <BAR_CODE_NO> (3,357)
2560615

$$$$
WAY-350377
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    4.2061    3.6684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8404    6.1140    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2360    6.1076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9210    4.8720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8848    2.4541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9424    7.2898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8105    3.6940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1255    4.9168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3316    7.4221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3739    1.1865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2847    2.4349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3854    8.5702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1677    1.2548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6368    8.7922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4353    9.4900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0631    2.4200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9718    1.2057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0695    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0871    2.4904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042    4.9445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4716    0.0064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1822    1.2100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6850    2.5118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  8  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  2  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9  6  1  0  0  0  0
 10 17  1  0  0  0  0
 11  5  1  0  0  0  0
 12  6  2  0  0  0  0
 13  5  2  0  0  0  0
 14  9  1  0  0  0  0
 15 12  1  0  0  0  0
 16 10  2  0  0  0  0
 17 11  1  0  0  0  0
 18 10  1  0  0  0  0
 19  7  2  0  0  0  0
 20  8  2  0  0  0  0
 21 18  1  0  0  0  0
 22 21  1  0  0  0  0
 23 19  1  0  0  0  0
 24 23  2  0  0  0  0
  2  3  2  0  0  0  0
 24 20  1  0  0  0  0
 14 15  2  0  0  0  0
M  END
>  <Mol_ID> (3,358)
3358

>  <Formula> (3,358)
C18H16N2O4

>  <MolWeight> (3,358)
324.33064

>  <COMPOUND_NAME> (3,358)
WAY-350377

>  <BAR_CODE_NO> (3,358)
2560655

$$$$
WAY-350383
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
    4.2061    6.1309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8403    8.5764    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2359    8.5700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9209    7.3344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8847    4.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9423    9.7523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8104    6.1565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1254    7.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3737    3.6469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3315    9.8867    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2845    4.8975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0651    2.4306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9717    3.6683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3853   11.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1676    3.7174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0971    4.8505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6366   11.2567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4352   11.9545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0870    4.9529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042    7.4070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4671    2.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3417    1.2206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0203    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1820    3.6021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6850    4.9743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  8  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  2  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9 13  1  0  0  0  0
 10  6  1  0  0  0  0
 11  5  1  0  0  0  0
 12  9  1  0  0  0  0
 13 11  1  0  0  0  0
 14  6  2  0  0  0  0
 15  5  2  0  0  0  0
 16  9  2  0  0  0  0
 17 10  1  0  0  0  0
 18 14  1  0  0  0  0
 19  7  2  0  0  0  0
 20  8  2  0  0  0  0
 21 12  1  0  0  0  0
 22 12  1  0  0  0  0
 23 22  1  0  0  0  0
 24 21  1  0  0  0  0
 25 19  1  0  0  0  0
 26 25  2  0  0  0  0
  3  2  2  0  0  0  0
 26 20  1  0  0  0  0
 18 17  2  0  0  0  0
M  END
>  <Mol_ID> (3,359)
3359

>  <Formula> (3,359)
C20H20N2O4

>  <MolWeight> (3,359)
352.3838

>  <COMPOUND_NAME> (3,359)
WAY-350383

>  <BAR_CODE_NO> (3,359)
2560661

$$$$
WAY-350444
csChFnd80/06171916322D

 34 37  0  0  0  0  0  0  0  0999 V2000
   11.8042   -4.0667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8917    0.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2375    3.4333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3625    1.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9542   -2.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7250   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7625    1.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9375    3.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6792    1.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4667   -7.0917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833    0.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5417   -4.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9542   -5.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4292   -1.0292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2542   -2.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208    2.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8625   -1.0417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8542   -2.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7667   -7.0750    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   14.3625   -5.6500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.8500    3.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458    3.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458   -0.9042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4125    2.0708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4542    1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8042    4.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -5.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9500   -8.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9125   -2.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2833    0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3250    3.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5042    4.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  1  0  0  0  0
  3  9  1  0  0  0  0
  4  5  1  0  0  0  0
  5  2  2  0  0  0  0
  6  1  1  0  0  0  0
  7 16  1  0  0  0  0
  8  2  1  0  0  0  0
  9  8  1  0  0  0  0
 10  4  1  0  0  0  0
 11 21  1  0  0  0  0
 12 10  1  0  0  0  0
 13 12  2  0  0  0  0
 14  1  1  0  0  0  0
 15  1  1  0  0  0  0
 16 17  1  0  0  0  0
 17  6  1  0  0  0  0
 18 24  2  0  0  0  0
 19  6  2  0  0  0  0
 20  7  2  0  0  0  0
 21 15  1  0  0  0  0
 22 14  1  0  0  0  0
 23 10  2  0  0  0  0
 24 23  1  0  0  0  0
 25 13  1  0  0  0  0
 26 18  1  0  0  0  0
 27  8  2  0  0  0  0
 28  9  2  0  0  0  0
 29 22  1  0  0  0  0
 30 21  1  0  0  0  0
 31 25  1  0  0  0  0
 32 26  1  0  0  0  0
 33 27  1  0  0  0  0
 34 33  2  0  0  0  0
 22 11  1  0  0  0  0
  3  4  2  0  0  0  0
 34 28  1  0  0  0  0
 13 18  1  0  0  0  0
M  END
>  <Mol_ID> (3,360)
3360

>  <Formula> (3,360)
C26H28N2O6

>  <MolWeight> (3,360)
464.51032

>  <COMPOUND_NAME> (3,360)
WAY-350444

>  <BAR_CODE_NO> (3,360)
2560697

$$$$
WAY-350627
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    2.9485   -1.1136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9519   -0.2826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2381   -1.5205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7381   -1.3688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2347    0.1278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7381   -0.0274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5209   -1.1101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2278   -0.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5243   -0.2860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8071    0.1243    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0933   -0.2895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6205    0.1243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0933   -1.1136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3343   -0.2895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6205    0.9485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0481    0.1243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3343    1.3623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0481    0.9485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7619    1.3623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4791    0.9485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1929    1.3623    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4791    0.1243    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1964    0.5450    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (3,361)
3361

>  <Formula> (3,361)
C17H14F3NO2

>  <MolWeight> (3,361)
321.2937696

>  <COMPOUND_NAME> (3,361)
WAY-350627

>  <BAR_CODE_NO> (3,361)
2560826

$$$$
WAY-350686
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -1.2516   -0.6997    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0827   -0.6997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8378   -1.4204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8378    0.0141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4965    0.0141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4965   -1.4204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0068   -1.4204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0068    0.0141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3206    0.0141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0723    0.7313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3206   -1.4204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4035   -0.6997    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7344   -0.6997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7447    0.7313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2277   -0.6997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6553    0.0141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6415   -1.4204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4794    0.0141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2415    0.7313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8932    0.7313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6553    1.4451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4794    1.4451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7035    0.9072    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0415    2.0658    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7863    1.7279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  9 13  2  0  0  0  0
  9 14  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 16 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
  8 12  1  0  0  0  0
 11 13  1  0  0  0  0
 21 22  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (3,362)
3362

>  <Formula> (3,362)
C20H22N2O3

>  <MolWeight> (3,362)
338.40028

>  <COMPOUND_NAME> (3,362)
WAY-350686

>  <BAR_CODE_NO> (3,362)
2561048

$$$$
WAY-350732
csChFnd80/06171916322D

 19 20  0  0  0  0  0  0  0  0999 V2000
    9.5167   -6.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6625   -5.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9417   -6.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0792   -3.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6917   -7.4417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.6667   -7.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3125   -5.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3292   -7.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1125   -2.7292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9542   -8.7417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1042   -7.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4750   -3.4625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8167   -8.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2667  -11.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -12.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   15.9667   -9.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8417  -11.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2417   -8.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1167   -9.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  4  2  0  0  0  0
 10  6  2  0  0  0  0
 11  6  1  0  0  0  0
 12  4  1  0  0  0  0
 13 11  1  0  0  0  0
 14 17  1  0  0  0  0
 15 14  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 13  2  0  0  0  0
 19 13  1  0  0  0  0
  8  7  2  0  0  0  0
 16 14  2  0  0  0  0
M  END
>  <Mol_ID> (3,363)
3363

>  <Formula> (3,363)
C13H11BrN2O2S

>  <MolWeight> (3,363)
339.20764

>  <COMPOUND_NAME> (3,363)
WAY-350732

>  <BAR_CODE_NO> (3,363)
2561053

$$$$
WAY-350815
csChFnd80/06171916322D

 22 25  0  0  0  0  0  0  0  0999 V2000
   12.4792   -9.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2000  -10.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0375   -9.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6292  -10.1542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.4792   -8.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3417   -7.8500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.8125   -8.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1792   -6.5292    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.4417  -11.6750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2667  -10.3542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8792   -7.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7125   -6.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9917  -11.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0042   -5.2042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1042   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9500   -7.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3417   -6.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9375   -5.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4042   -5.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5500   -5.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8750   -6.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  5  2  0  0  0  0
  8 11  1  0  0  0  0
  9  2  1  0  0  0  0
 10  3  2  0  0  0  0
 11  6  1  0  0  0  0
 12  8  1  0  0  0  0
 13 10  1  0  0  0  0
 14 12  2  0  0  0  0
 15  6  1  0  0  0  0
 16 12  1  0  0  0  0
 17  5  1  0  0  0  0
 18  7  1  0  0  0  0
 19 20  1  0  0  0  0
 20 15  1  0  0  0  0
 21 17  1  0  0  0  0
 22 21  1  0  0  0  0
  7  4  1  0  0  0  0
 13  9  2  0  0  0  0
 18 22  1  0  0  0  0
  8 19  1  0  0  0  0
M  END
>  <Mol_ID> (3,364)
3364

>  <Formula> (3,364)
C16H19N3O2S

>  <MolWeight> (3,364)
317.40596

>  <COMPOUND_NAME> (3,364)
WAY-350815

>  <BAR_CODE_NO> (3,364)
2561331

$$$$
WAY-350824
csChFnd80/06171916322D

 18 20  0  0  0  0  0  0  0  0999 V2000
   10.1750   -5.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3375   -4.4667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6125   -5.6417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3375   -6.7875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.9667   -4.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3250   -6.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9667   -6.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7625   -6.8875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.6000   -8.1125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7292   -4.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6250   -5.7292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7292   -7.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4792   -6.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4792   -4.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7292   -2.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5917   -8.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9542   -7.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8  6  1  0  0  0  0
  9  6  2  0  0  0  0
 10  5  1  0  0  0  0
 11  8  1  0  0  0  0
 12  7  1  0  0  0  0
 13 12  2  0  0  0  0
 14 10  2  0  0  0  0
 15 11  1  0  0  0  0
 16 10  1  0  0  0  0
 17  8  1  0  0  0  0
 18 17  1  0  0  0  0
  7  5  2  0  0  0  0
 13 14  1  0  0  0  0
 18 15  1  0  0  0  0
M  END
>  <Mol_ID> (3,365)
3365

>  <Formula> (3,365)
C13H14N2O2S

>  <MolWeight> (3,365)
262.32746

>  <COMPOUND_NAME> (3,365)
WAY-350824

>  <BAR_CODE_NO> (3,365)
2561193

$$$$
WAY-350893
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
    5.5587    0.0666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3379    2.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0129   -0.0709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9754    2.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5379   -2.4709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7462   -2.1209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5587   -3.6334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4379    4.2125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6879    0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8129    4.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6254   -3.5209    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -5.1955    2.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6330    0.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5455    4.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7955    2.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4455    0.2791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8205    0.3666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3288   -1.7709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5788   -3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0413   -1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9080   -3.6209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  2  0  0  0  0
  7  6  1  0  0  0  0
  8  2  2  0  0  0  0
  9  4  1  0  0  0  0
 10  4  1  0  0  0  0
 11  5  1  0  0  0  0
 12 15  1  0  0  0  0
 13  9  1  0  0  0  0
 14 10  1  0  0  0  0
 15 14  1  0  0  0  0
 16 12  1  0  0  0  0
 17 16  1  0  0  0  0
 18 16  2  0  0  0  0
 19 18  1  0  0  0  0
 20 17  2  0  0  0  0
 21 19  2  0  0  0  0
  5  7  2  0  0  0  0
 13 15  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (3,366)
3366

>  <Formula> (3,366)
C17H18BrNO2

>  <MolWeight> (3,366)
348.23432

>  <COMPOUND_NAME> (3,366)
WAY-350893

>  <BAR_CODE_NO> (3,366)
2561124

$$$$
WAY-351060
csChFnd80/06171916322D

 15 17  0  0  0  0  0  0  0  0999 V2000
    0.6862   -1.0584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6069   -0.2929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6862   -2.5550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1103   -0.6032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6034    1.2071    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9207   -1.0584    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1103   -3.0101    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6069   -3.3205    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9862   -1.7895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8931    1.9692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7034    1.9450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9207   -2.5550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8793    3.4692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7207    3.4450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5724    4.2071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
  7  9  1  0  0  0  0
  8 12  2  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (3,367)
3367

>  <Formula> (3,367)
C10H11N3OS

>  <MolWeight> (3,367)
221.27884

>  <COMPOUND_NAME> (3,367)
WAY-351060

>  <BAR_CODE_NO> (3,367)
2561285

$$$$
WAY-351063
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    9.6042   -7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7667   -5.9292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6125   -6.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7542   -9.0917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6042   -8.4792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6625   -7.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9250   -4.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3042   -5.5542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6917   -5.7792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.2917   -9.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8292   -5.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8625   -2.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9917   -8.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6750   -9.1667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7167   -2.5542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9542   -0.9250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0875   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2792  -11.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8917   -7.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000   -0.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417   -5.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0417   -7.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1917    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  2  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7 11  2  0  0  0  0
  8  3  1  0  0  0  0
  9  6  1  0  0  0  0
 10  5  1  0  0  0  0
 11  9  1  0  0  0  0
 12  7  1  0  0  0  0
 13 10  2  0  0  0  0
 14  8  2  0  0  0  0
 15  6  2  0  0  0  0
 16 12  2  0  0  0  0
 17 12  1  0  0  0  0
 18  7  1  0  0  0  0
 19 10  1  0  0  0  0
 20 11  1  0  0  0  0
 21 17  1  0  0  0  0
 22 23  1  0  0  0  0
 23 20  2  0  0  0  0
 24 21  1  0  0  0  0
  3  5  1  0  0  0  0
 14 13  1  0  0  0  0
 18 22  2  0  0  0  0
M  END
>  <Mol_ID> (3,368)
3368

>  <Formula> (3,368)
C16H15N5O3

>  <MolWeight> (3,368)
325.322

>  <COMPOUND_NAME> (3,368)
WAY-351063

>  <BAR_CODE_NO> (3,368)
2561288

$$$$
WAY-351125
csChFnd80/06171916322D

 27 28  0  0  0  0  0  0  0  0999 V2000
   14.2417  -10.1750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5667  -11.6375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4042   -8.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3167  -11.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6250   -8.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7250  -10.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7542   -7.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1417  -13.2042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9625   -9.9875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3542   -5.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5792    2.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3375   -7.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8167    2.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4375    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9917   -7.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1042   -5.5875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6167   -5.5792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4750   -7.1125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -10.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6417  -13.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9125    0.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5292   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3875   -2.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4917   -4.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7667   -0.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4917    3.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9667    3.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  2  0  0  0  0
  6  2  1  0  0  0  0
  7  5  1  0  0  0  0
  8  4  2  0  0  0  0
  9  6  2  0  0  0  0
 10 16  1  0  0  0  0
 11 14  2  0  0  0  0
 12  3  1  0  0  0  0
 13 21  2  0  0  0  0
 14 22  1  0  0  0  0
 15  7  1  0  0  0  0
 16 15  1  0  0  0  0
 17  7  2  0  0  0  0
 18 10  2  0  0  0  0
 19  1  1  0  0  0  0
 20  2  1  0  0  0  0
 21 25  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 10  1  0  0  0  0
 25 22  2  0  0  0  0
 26 11  1  0  0  0  0
 27 13  1  0  0  0  0
  5  6  1  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <Mol_ID> (3,369)
3369

>  <Formula> (3,369)
C18H21N3O6

>  <MolWeight> (3,369)
375.37584

>  <COMPOUND_NAME> (3,369)
WAY-351125

>  <BAR_CODE_NO> (3,369)
2561378

$$$$
WAY-351134
csChFnd80/06171916322D

 21 24  0  0  0  0  0  0  0  0999 V2000
   12.1542  -12.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6417  -12.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1542   -7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3750  -11.1375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8792   -8.6792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.4292  -13.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4417  -13.7167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.7250  -14.9542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.8792  -13.2917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.6125  -11.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2292  -15.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8292   -6.2625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7292   -7.5417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -11.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9167  -11.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0167   -9.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3000   -8.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2000   -9.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6667   -5.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9917   -6.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0917   -5.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  5  1  0  0  0  0
  4  1  1  0  0  0  0
  5 17  1  0  0  0  0
  6  2  2  0  0  0  0
  7  1  2  0  0  0  0
  8 11  2  0  0  0  0
  9  6  1  0  0  0  0
 10  2  1  0  0  0  0
 11  7  1  0  0  0  0
 12  3  2  0  0  0  0
 13  3  1  0  0  0  0
 14 10  2  0  0  0  0
 15  4  1  0  0  0  0
 16  4  1  0  0  0  0
 17 16  1  0  0  0  0
 18 15  1  0  0  0  0
 19 20  1  0  0  0  0
 20 13  2  0  0  0  0
 21 12  1  0  0  0  0
  8  6  1  0  0  0  0
  5 18  1  0  0  0  0
  9 14  1  0  0  0  0
 21 19  2  0  0  0  0
M  END
>  <Mol_ID> (3,370)
3370

>  <Formula> (3,370)
C14H14N6S

>  <MolWeight> (3,370)
298.36616

>  <COMPOUND_NAME> (3,370)
WAY-351134

>  <BAR_CODE_NO> (3,370)
2561387

$$$$
WAY-351413
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   10.9292   -6.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3750   -5.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5667   -6.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2667   -4.3042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1750   -5.0792    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.7042   -7.5167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.0625   -7.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8500   -8.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6792   -4.6917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7042   -7.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9292   -5.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6500   -6.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2792   -9.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0667  -10.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9375   -3.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1250   -8.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5000  -12.1167    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   15.2042   -8.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -9.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2750   -6.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3542   -3.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4250  -10.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1167   -3.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0417   -6.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4625   -4.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  2  2  0  0  0  0
 10  3  2  0  0  0  0
 11  5  1  0  0  0  0
 12  7  2  0  0  0  0
 13  8  2  0  0  0  0
 14 13  1  0  0  0  0
 15  5  1  0  0  0  0
 16  6  1  0  0  0  0
 17 14  1  0  0  0  0
 18  8  1  0  0  0  0
 19 18  2  0  0  0  0
 20 11  2  0  0  0  0
 21 11  1  0  0  0  0
 22 19  1  0  0  0  0
 23 21  2  0  0  0  0
 24 20  1  0  0  0  0
 25 23  1  0  0  0  0
  5  4  1  0  0  0  0
 14 22  2  0  0  0  0
 25 24  2  0  0  0  0
M  END
>  <Mol_ID> (3,371)
3371

>  <Formula> (3,371)
C19H17ClN2O3

>  <MolWeight> (3,371)
356.80288

>  <COMPOUND_NAME> (3,371)
WAY-351413

>  <BAR_CODE_NO> (3,371)
2561646

$$$$
WAY-351429
csChFnd80/06171916322D

 28 30  0  0  0  0  0  0  0  0999 V2000
    9.5917   -5.2750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9750   -4.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4375   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0375   -3.4875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1042   -4.1542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.2542   -6.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0542   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3667   -6.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0792   -3.8167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7042   -6.1667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6625   -7.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0000   -7.0250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6292   -7.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1667   -6.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8250   -5.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5417   -3.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5167   -5.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9000   -3.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4625   -5.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4792   -3.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9542   -4.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5042   -5.8667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3417   -8.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3417   -6.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9000   -4.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1625   -4.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4917   -8.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  5  1  0  0  0  0
  8  6  1  0  0  0  0
  9  2  2  0  0  0  0
 10  3  2  0  0  0  0
 11 13  1  0  0  0  0
 12  8  1  0  0  0  0
 13 12  1  0  0  0  0
 14 11  2  0  0  0  0
 15  8  2  0  0  0  0
 16  7  2  0  0  0  0
 17  7  1  0  0  0  0
 18  5  1  0  0  0  0
 19 17  2  0  0  0  0
 20 16  1  0  0  0  0
 21 19  1  0  0  0  0
 22 14  1  0  0  0  0
 23 11  1  0  0  0  0
 24 14  1  0  0  0  0
 25 21  1  0  0  0  0
 26 22  1  0  0  0  0
 27 23  2  0  0  0  0
 28 27  1  0  0  0  0
  4  5  1  0  0  0  0
 20 21  2  0  0  0  0
 24 28  2  0  0  0  0
M  END
>  <Mol_ID> (3,372)
3372

>  <Formula> (3,372)
C21H23N3O4

>  <MolWeight> (3,372)
381.42502

>  <COMPOUND_NAME> (3,372)
WAY-351429

>  <BAR_CODE_NO> (3,372)
2561662

$$$$
WAY-351467
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    9.7417   -8.1417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2000   -8.1625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5125   -6.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4042   -6.8292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7250   -5.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5167   -9.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9917   -9.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1750   -5.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7292  -10.7167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8625   -6.0375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4750  -11.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6917   -8.2042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7542  -13.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5500  -14.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4917   -4.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8167  -16.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8417  -13.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0500  -11.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3917   -4.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0625  -14.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8417  -15.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7167   -2.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1625   -2.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  5  1  0  0  0  0
  9  7  1  0  0  0  0
 10  3  2  0  0  0  0
 11  9  1  0  0  0  0
 12  7  2  0  0  0  0
 13 11  1  0  0  0  0
 14 13  2  0  0  0  0
 15  5  2  0  0  0  0
 16 14  1  0  0  0  0
 17 18  1  0  0  0  0
 18 11  2  0  0  0  0
 19  8  2  0  0  0  0
 20 17  2  0  0  0  0
 21 16  1  0  0  0  0
 22 15  1  0  0  0  0
 23 22  2  0  0  0  0
  4  8  1  0  0  0  0
 23 19  1  0  0  0  0
 14 20  1  0  0  0  0
M  END
>  <Mol_ID> (3,373)
3373

>  <Formula> (3,373)
C16H14N4O3

>  <MolWeight> (3,373)
310.30736

>  <COMPOUND_NAME> (3,373)
WAY-351467

>  <BAR_CODE_NO> (3,373)
2561732

$$$$
WAY-351668
csChFnd80/06171916322D

 20 21  0  0  0  0  0  0  0  0999 V2000
   11.0667   -4.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4042   -5.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3042   -5.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6292   -3.7292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6667   -2.1167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.2917   -2.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7417   -6.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9625   -4.5167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.0125   -1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6375   -6.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6125   -5.2750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000   -2.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2292   -1.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7625   -4.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7292   -3.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0917   -5.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6542   -4.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -5.3542    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   13.2875   -6.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4125   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  8  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  6  1  0  0  0  0
  6 15  1  0  0  0  0
  7  3  1  0  0  0  0
  8  1  1  0  0  0  0
  9  5  1  0  0  0  0
 10  7  2  0  0  0  0
 11  1  2  0  0  0  0
 12  6  2  0  0  0  0
 13 12  1  0  0  0  0
 14  3  2  0  0  0  0
 15  4  1  0  0  0  0
 16 17  2  0  0  0  0
 17 14  1  0  0  0  0
 18 16  1  0  0  0  0
 19  7  1  0  0  0  0
 20  8  1  0  0  0  0
  9 13  2  0  0  0  0
 10 16  1  0  0  0  0
M  END
>  <Mol_ID> (3,374)
3374

>  <Formula> (3,374)
C15H16ClNO2S

>  <MolWeight> (3,374)
309.81104

>  <COMPOUND_NAME> (3,374)
WAY-351668

>  <BAR_CODE_NO> (3,374)
2561920

$$$$
WAY-351675
csChFnd80/06171916322D

 31 33  0  0  0  0  0  0  0  0999 V2000
    7.2042   -2.0250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4917   -3.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4375   -3.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1167   -1.4917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9042   -2.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0417   -4.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8292   -6.7375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2542   -1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3667   -7.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1042   -4.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8042   -8.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6542   -4.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3042   -5.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3792   -9.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7292   -3.8500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   13.8000   -4.9417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1292   -5.8917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4542   -7.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7167   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3750   -2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1792   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4667   -9.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2542   -5.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7542   -8.5667    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.3500   -0.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2250   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4167   -1.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9667  -10.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.4000   -0.1542    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.9542   -1.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  2  1  0  0  0  0
  7 13  1  0  0  0  0
  8  1  1  0  0  0  0
  9  7  1  0  0  0  0
 10  6  2  0  0  0  0
 11  9  2  0  0  0  0
 12 10  1  0  0  0  0
 13 23  1  0  0  0  0
 14 11  1  0  0  0  0
 15  3  1  0  0  0  0
 16 13  2  0  0  0  0
 17 12  2  0  0  0  0
 18  9  1  0  0  0  0
 19 12  1  0  0  0  0
 20  8  2  0  0  0  0
 21  8  1  0  0  0  0
 22 26  1  0  0  0  0
 23 19  1  0  0  0  0
 24 11  1  0  0  0  0
 25 27  1  0  0  0  0
 26 18  2  0  0  0  0
 27 21  2  0  0  0  0
 28 20  1  0  0  0  0
 29 22  1  0  0  0  0
 30 25  1  0  0  0  0
 31  5  1  0  0  0  0
  2  5  1  0  0  0  0
 25 28  2  0  0  0  0
 22 14  2  0  0  0  0
M  END
>  <Mol_ID> (3,375)
3375

>  <Formula> (3,375)
C21H15ClF3N3O3

>  <MolWeight> (3,375)
449.8103096

>  <COMPOUND_NAME> (3,375)
WAY-351675

>  <BAR_CODE_NO> (3,375)
2561927

$$$$
WAY-351691
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
   11.6542   -6.9292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.9167   -5.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7417   -4.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2875   -4.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1000   -6.8917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4625   -5.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5542   -3.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6292   -4.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4375   -3.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0792   -0.7167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8875   -3.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1417   -7.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0625   -8.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5667   -5.7292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2667   -1.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1000   -3.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5375   -0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3667   -1.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3542    0.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.8292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8542   -8.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7917   -5.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0875   -4.4000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.4542   -2.1542    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   15.2417   -5.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2917   -8.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0667    1.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8917    0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1667    1.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3375    3.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8792    3.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  6  1  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  2  0  0  0  0
  7  4  1  0  0  0  0
  8  2  1  0  0  0  0
  9 11  1  0  0  0  0
 10 18  1  0  0  0  0
 11  8  2  0  0  0  0
 12  1  2  0  0  0  0
 13  1  2  0  0  0  0
 14  4  2  0  0  0  0
 15  7  1  0  0  0  0
 16  7  1  0  0  0  0
 17 15  1  0  0  0  0
 18 16  1  0  0  0  0
 19 10  1  0  0  0  0
 20 25  1  0  0  0  0
 21  5  1  0  0  0  0
 22  5  1  0  0  0  0
 23  8  1  0  0  0  0
 24  9  1  0  0  0  0
 25 22  1  0  0  0  0
 26 21  1  0  0  0  0
 27 19  1  0  0  0  0
 28 19  2  0  0  0  0
 29 28  1  0  0  0  0
 30 27  2  0  0  0  0
 31 29  2  0  0  0  0
 26 20  1  0  0  0  0
  3  9  2  0  0  0  0
 10 17  1  0  0  0  0
 31 30  1  0  0  0  0
M  END
>  <Mol_ID> (3,376)
3376

>  <Formula> (3,376)
C21H23Cl2N3O4S

>  <MolWeight> (3,376)
484.39602

>  <COMPOUND_NAME> (3,376)
WAY-351691

>  <BAR_CODE_NO> (3,376)
2561987

$$$$
WAY-351700
csChFnd80/06171916322D

 24 25  0  0  0  0  0  0  0  0999 V2000
   10.3792   -7.0792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8750   -5.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8125   -4.9292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0167   -7.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6542   -5.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1250   -8.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4250   -8.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2167   -5.4417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1292   -9.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1542   -8.0917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3667   -5.1667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8417  -10.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0042   -7.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2542  -11.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8917   -3.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0125  -12.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4042  -13.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -11.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2417  -10.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3542  -12.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7375   -2.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6542  -14.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8125   -1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6542   -0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  2  2  0  0  0  0
  9  7  1  0  0  0  0
 10  4  2  0  0  0  0
 11  5  2  0  0  0  0
 12  9  1  0  0  0  0
 13  7  2  0  0  0  0
 14 12  1  0  0  0  0
 15  3  1  0  0  0  0
 16 14  2  0  0  0  0
 17 16  1  0  0  0  0
 18 19  1  0  0  0  0
 19 12  2  0  0  0  0
 20 18  2  0  0  0  0
 21 15  1  0  0  0  0
 22 17  1  0  0  0  0
 23 21  1  0  0  0  0
 24 23  1  0  0  0  0
  3  5  1  0  0  0  0
 20 16  1  0  0  0  0
M  END
>  <Mol_ID> (3,377)
3377

>  <Formula> (3,377)
C16H19N3O5

>  <MolWeight> (3,377)
333.33916

>  <COMPOUND_NAME> (3,377)
WAY-351700

>  <BAR_CODE_NO> (3,377)
2561932

$$$$
WAY-351713
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
   11.1250   -5.3167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.5167   -5.3167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2042   -6.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7292   -5.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6042   -6.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2875  -12.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1292   -3.9250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3625   -6.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8917  -12.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7125  -13.8750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4625  -13.8667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5750  -14.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3000   -7.7167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.9875  -11.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2917   -5.3250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0417   -6.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0417   -4.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2042  -11.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2917  -10.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9042  -10.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6542   -6.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6792   -4.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9917   -5.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2042   -4.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6042   -5.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6 14  1  0  0  0  0
  7  1  2  0  0  0  0
  8  1  2  0  0  0  0
  9 18  1  0  0  0  0
 10  6  1  0  0  0  0
 11  9  1  0  0  0  0
 12 10  1  0  0  0  0
 13  5  1  0  0  0  0
 14 19  2  0  0  0  0
 15  5  2  0  0  0  0
 16  4  2  0  0  0  0
 17  4  1  0  0  0  0
 18 21  2  0  0  0  0
 19 20  1  0  0  0  0
 20 13  1  0  0  0  0
 21 19  1  0  0  0  0
 22 16  1  0  0  0  0
 23 17  2  0  0  0  0
 24 23  1  0  0  0  0
 25  2  1  0  0  0  0
 26 24  1  0  0  0  0
 22 24  2  0  0  0  0
  9  6  2  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (3,378)
3378

>  <Formula> (3,378)
C18H20N2O5S

>  <MolWeight> (3,378)
376.4268

>  <COMPOUND_NAME> (3,378)
WAY-351713

>  <BAR_CODE_NO> (3,378)
2561937

$$$$
WAY-351715
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
    7.2375   -5.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7250   -4.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2542   -5.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7750   -4.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2292   -3.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2542   -3.4167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7167   -4.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5500   -5.9625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.6167   -5.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8042   -4.3125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.3375   -5.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8542   -6.0875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7167   -2.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3167   -5.2042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.9625   -3.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8542   -4.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8792   -6.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4042   -6.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4417   -8.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4292   -6.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8917   -7.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9542   -7.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4167   -8.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9667   -9.6292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8042   -6.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9917   -4.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1792   -2.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -9.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2250   -3.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4167   -2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4417   -2.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  2  1  0  0  0  0
  8  1  1  0  0  0  0
  9  8  1  0  0  0  0
 10  4  1  0  0  0  0
 11 14  1  0  0  0  0
 12 11  1  0  0  0  0
 13  5  2  0  0  0  0
 14 10  1  0  0  0  0
 15  7  1  0  0  0  0
 16 11  2  0  0  0  0
 17 12  1  0  0  0  0
 18 17  1  0  0  0  0
 19 23  1  0  0  0  0
 20 18  2  0  0  0  0
 21 18  1  0  0  0  0
 22 20  1  0  0  0  0
 23 21  2  0  0  0  0
 24 19  1  0  0  0  0
 25 14  1  0  0  0  0
 26 15  1  0  0  0  0
 27 15  2  0  0  0  0
 28 24  1  0  0  0  0
 29 26  2  0  0  0  0
 30 27  1  0  0  0  0
 31 30  2  0  0  0  0
  7  9  2  0  0  0  0
  6  5  1  0  0  0  0
 31 29  1  0  0  0  0
 22 19  2  0  0  0  0
M  END
>  <Mol_ID> (3,379)
3379

>  <Formula> (3,379)
C23H21N3O3S2

>  <MolWeight> (3,379)
451.56114

>  <COMPOUND_NAME> (3,379)
WAY-351715

>  <BAR_CODE_NO> (3,379)
2561939

$$$$
WAY-351727
csChFnd80/06171916322D

 18 19  0  0  0  0  0  0  0  0999 V2000
    3.3917   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6792   -0.7667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3917    0.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9667   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9667    0.4708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6792    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1042    0.8958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542   -0.7667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6792    1.7083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1042   -0.7750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6750   -1.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8250    0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1000    1.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9542   -2.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8167    2.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5375    0.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9542   -2.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5375    1.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  6  1  0  0  0  0
  6  3  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  2  0  0  0  0
  9  6  2  0  0  0  0
 10  1  1  0  0  0  0
 11  2  1  0  0  0  0
 12  7  1  0  0  0  0
 13  7  1  0  0  0  0
 14 11  1  0  0  0  0
 15 13  1  0  0  0  0
 16 12  1  0  0  0  0
 17 14  1  0  0  0  0
 18 15  1  0  0  0  0
  4  5  1  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (3,380)
3380

>  <Formula> (3,380)
C12H20N4O2

>  <MolWeight> (3,380)
252.3128

>  <COMPOUND_NAME> (3,380)
WAY-351727

>  <BAR_CODE_NO> (3,380)
2562159

$$$$
WAY-351740
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   13.0875   -3.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8125   -2.6167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4875   -4.0917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9792   -1.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2167   -3.3500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.8167   -1.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2292   -1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5167   -2.6417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9750   -2.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3250   -4.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5625   -1.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5542   -0.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7250   -4.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5542   -4.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5917   -3.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8125   -4.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7542   -3.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9542    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7250   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -4.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9625   -5.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2917    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5167    0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6917    0.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  1  1  0  0  0  0
  4 11  1  0  0  0  0
  5  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  2  1  0  0  0  0
  8  1  2  0  0  0  0
  9  2  1  0  0  0  0
 10  3  1  0  0  0  0
 11  9  1  0  0  0  0
 12  4  1  0  0  0  0
 13 10  2  0  0  0  0
 14 13  1  0  0  0  0
 15 17  2  0  0  0  0
 16  5  1  0  0  0  0
 17 10  1  0  0  0  0
 18 12  1  0  0  0  0
 19 12  2  0  0  0  0
 20 15  1  0  0  0  0
 21 14  1  0  0  0  0
 22 19  1  0  0  0  0
 23 18  2  0  0  0  0
 24 22  2  0  0  0  0
  4  6  2  0  0  0  0
 20 14  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (3,381)
3381

>  <Formula> (3,381)
C21H24N2O

>  <MolWeight> (3,381)
320.42806

>  <COMPOUND_NAME> (3,381)
WAY-351740

>  <BAR_CODE_NO> (3,381)
2561979

$$$$
WAY-351757
csChFnd80/06171916322D

 30 32  0  0  0  0  0  0  0  0999 V2000
    7.2417   -5.0292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.8292   -6.0167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6625   -4.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7292   -8.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9792   -7.9792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9417   -5.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2292   -7.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2375   -4.4375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2417   -5.6167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3250   -9.9417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2292   -3.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2292  -10.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8375  -11.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0750  -10.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5667   -8.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4792   -9.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2917   -7.9417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2792  -12.9125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5417   -6.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8250   -7.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6417   -2.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7917   -9.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2000   -8.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0417   -8.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -11.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4875   -2.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2042   -1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9042   -1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6167   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4667   -0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4 15  1  0  0  0  0
  5 20  1  0  0  0  0
  6  2  1  0  0  0  0
  7  2  1  0  0  0  0
  8  1  2  0  0  0  0
  9  1  2  0  0  0  0
 10  4  1  0  0  0  0
 11  3  2  0  0  0  0
 12 14  1  0  0  0  0
 13 12  1  0  0  0  0
 14 16  2  0  0  0  0
 15  5  1  0  0  0  0
 16 10  1  0  0  0  0
 17  4  2  0  0  0  0
 18 13  2  0  0  0  0
 19  6  1  0  0  0  0
 20  7  1  0  0  0  0
 21 11  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 16  1  0  0  0  0
 25 13  1  0  0  0  0
 26 21  2  0  0  0  0
 27 21  1  0  0  0  0
 28 26  1  0  0  0  0
 29 27  2  0  0  0  0
 30 29  1  0  0  0  0
  5 19  1  0  0  0  0
 30 28  2  0  0  0  0
 12 22  2  0  0  0  0
M  END
>  <Mol_ID> (3,382)
3382

>  <Formula> (3,382)
C22H25N3O4S

>  <MolWeight> (3,382)
427.5166

>  <COMPOUND_NAME> (3,382)
WAY-351757

>  <BAR_CODE_NO> (3,382)
2562014

$$$$
WAY-351783
csChFnd80/06171916322D

 30 32  0  0  0  0  0  0  0  0999 V2000
    6.7667   -4.7042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.3167   -5.6292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2250   -3.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0167   -8.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -9.2417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8250   -9.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3917   -7.4542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.9125   -9.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2667   -8.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3542   -5.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7542   -6.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1917   -8.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8375   -5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000   -4.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5667   -9.2917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7542   -2.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6667   -9.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9417   -8.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5417   -7.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2917  -10.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9167   -6.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3125   -7.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8042   -7.3792    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.2167  -10.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2125   -1.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1292   -1.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7375   -0.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1792   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1125   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4 18  1  0  0  0  0
  5  8  3  0  0  0  0
  6 20  1  0  0  0  0
  7 22  1  0  0  0  0
  8  6  1  0  0  0  0
  9 12  1  0  0  0  0
 10  2  1  0  0  0  0
 11  2  1  0  0  0  0
 12 17  2  0  0  0  0
 13  1  2  0  0  0  0
 14  1  2  0  0  0  0
 15  4  1  0  0  0  0
 16  3  2  0  0  0  0
 17 15  1  0  0  0  0
 18  7  1  0  0  0  0
 19  4  2  0  0  0  0
 20 24  2  0  0  0  0
 21 10  1  0  0  0  0
 22 11  1  0  0  0  0
 23  9  1  0  0  0  0
 24 17  1  0  0  0  0
 25 16  1  0  0  0  0
 26 25  2  0  0  0  0
 27 25  1  0  0  0  0
 28 26  1  0  0  0  0
 29 27  2  0  0  0  0
 30 29  1  0  0  0  0
  7 21  1  0  0  0  0
 30 28  2  0  0  0  0
  6  9  2  0  0  0  0
M  END
>  <Mol_ID> (3,383)
3383

>  <Formula> (3,383)
C21H21ClN4O3S

>  <MolWeight> (3,383)
444.93444

>  <COMPOUND_NAME> (3,383)
WAY-351783

>  <BAR_CODE_NO> (3,383)
2562007

$$$$
WAY-351799
csChFnd80/06171916322D

 19 20  0  0  0  0  0  0  0  0999 V2000
    0.1461   -0.5157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7504   -1.1399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1573    0.5394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1910   -0.8813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6159   -0.4744    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7746   -2.2399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2677    0.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5082    1.4153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1392   -0.3261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6711   -0.7813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8849    1.4670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0944   -0.8640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1220    0.7670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4711   -0.0330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0358   -0.3088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0599    1.3325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5125   -0.3468    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2159    1.0325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0254    0.7912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  7 11  2  0  0  0  0
  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
 14 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  2  0  0  0  0
  5  7  1  0  0  0  0
 16 19  1  0  0  0  0
M  END
>  <Mol_ID> (3,384)
3384

>  <Formula> (3,384)
C12H11N3O4

>  <MolWeight> (3,384)
261.23344

>  <COMPOUND_NAME> (3,384)
WAY-351799

>  <BAR_CODE_NO> (3,384)
2562035

$$$$
WAY-351801
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
   11.2292   -5.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0000   -4.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0250   -2.7042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.6000   -3.9875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.4042   -5.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0375   -6.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6292   -6.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6292   -5.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5917   -2.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333   -1.0875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208   -4.3292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -5.3417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6458   -2.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8625   -6.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8125   -4.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4125   -4.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3750   -1.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3750   -2.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9750   -1.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0042   -4.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7917   -2.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2625   -8.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4417   -8.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2250   -4.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4042   -2.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0667   -9.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6625   -9.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  9  1  0  0  0  0
  4  2  1  0  0  0  0
  5  7  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  1  1  0  0  0  0
  9 16  2  0  0  0  0
 10  3  2  0  0  0  0
 11  3  2  0  0  0  0
 12  5  2  0  0  0  0
 13  3  1  0  0  0  0
 14  8  2  0  0  0  0
 15  8  1  0  0  0  0
 16 20  1  0  0  0  0
 17 19  2  0  0  0  0
 18  4  1  0  0  0  0
 19 21  1  0  0  0  0
 20 21  2  0  0  0  0
 21 25  1  0  0  0  0
 22  6  2  0  0  0  0
 23  7  2  0  0  0  0
 24 15  1  0  0  0  0
 25 24  1  0  0  0  0
 26 22  1  0  0  0  0
 27 26  2  0  0  0  0
  4  5  1  0  0  0  0
 27 23  1  0  0  0  0
  9 17  1  0  0  0  0
M  END
>  <Mol_ID> (3,385)
3385

>  <Formula> (3,385)
C18H18N4O4S

>  <MolWeight> (3,385)
386.42492

>  <COMPOUND_NAME> (3,385)
WAY-351801

>  <BAR_CODE_NO> (3,385)
2562037

$$$$
WAY-351812
csChFnd80/06171916322D

 25 26  0  0  0  0  0  0  0  0999 V2000
   14.7417   -8.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8417   -9.4500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.1417   -7.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0917   -9.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8667   -7.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2375   -8.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5792   -3.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2417   -6.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2167   -4.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6875  -10.5625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9792   -8.2875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8000   -6.2250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4625   -4.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9875   -6.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3542   -5.1500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.8542   -5.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1917  -10.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9375   -1.9542    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.6542   -2.3917    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.5000   -3.6750    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.1042   -5.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6125   -5.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2500   -6.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4917   -6.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  2  0  0  0  0
  6  2  1  0  0  0  0
  7  9  1  0  0  0  0
  8  5  1  0  0  0  0
  9 13  1  0  0  0  0
 10  4  2  0  0  0  0
 11  6  2  0  0  0  0
 12  3  1  0  0  0  0
 13 22  2  0  0  0  0
 14  8  1  0  0  0  0
 15 14  1  0  0  0  0
 16  8  2  0  0  0  0
 17  1  1  0  0  0  0
 18  2  1  0  0  0  0
 19  7  1  0  0  0  0
 20  7  1  0  0  0  0
 21  7  1  0  0  0  0
 22 15  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 22  1  0  0  0  0
  6  5  1  0  0  0  0
  9 23  2  0  0  0  0
M  END
>  <Mol_ID> (3,386)
3386

>  <Formula> (3,386)
C15H14F3N3O3S

>  <MolWeight> (3,386)
373.3501696

>  <COMPOUND_NAME> (3,386)
WAY-351812

>  <BAR_CODE_NO> (3,386)
2562048

$$$$
WAY-351816
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   10.0292   -4.6917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7917   -5.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7667   -6.3417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7667   -5.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9750   -6.7750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5375   -8.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9500   -9.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.8625  -10.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9500   -6.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8125   -8.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0542   -5.7917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -9.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7375   -4.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6625   -6.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6542   -5.8625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8417   -3.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5750   -4.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4667   -3.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6375  -11.4417    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.6250   -2.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5167   -4.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7917   -2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5625   -2.1042    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  9  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9 14  1  0  0  0  0
 10  6  2  0  0  0  0
 11  4  1  0  0  0  0
 12 10  1  0  0  0  0
 13  2  1  0  0  0  0
 14 11  1  0  0  0  0
 15  9  2  0  0  0  0
 16 13  2  0  0  0  0
 17 13  1  0  0  0  0
 18  1  1  0  0  0  0
 19  8  1  0  0  0  0
 20 21  1  0  0  0  0
 21 17  2  0  0  0  0
 22 16  1  0  0  0  0
 23 20  1  0  0  0  0
  3  5  1  0  0  0  0
 22 20  2  0  0  0  0
  8 12  2  0  0  0  0
M  END
>  <Mol_ID> (3,387)
3387

>  <Formula> (3,387)
C15H11Cl2N3OS2

>  <MolWeight> (3,387)
384.30334

>  <COMPOUND_NAME> (3,387)
WAY-351816

>  <BAR_CODE_NO> (3,387)
2562052

$$$$
WAY-351839
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
    8.9167   -4.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2375   -6.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8917   -4.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5500   -5.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7667   -5.2625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8917   -5.8042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7792   -7.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9125   -6.1375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8417   -5.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8500   -7.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6167   -5.2667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.1542   -6.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000   -4.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3792   -6.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2542   -8.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0417   -4.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2500   -3.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4042   -8.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1417   -4.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0625   -3.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1667   -2.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8875   -1.5625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4542   -6.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2042   -2.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5417   -2.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1792   -4.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1792   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4667   -8.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 12  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  2  0  0  0  0
  7  2  1  0  0  0  0
  8  4  2  0  0  0  0
  9  5  2  0  0  0  0
 10  7  1  0  0  0  0
 11  4  1  0  0  0  0
 12 11  1  0  0  0  0
 13  3  1  0  0  0  0
 14 10  1  0  0  0  0
 15  7  2  0  0  0  0
 16 13  2  0  0  0  0
 17  1  1  0  0  0  0
 18 10  2  0  0  0  0
 19 16  1  0  0  0  0
 20 13  1  0  0  0  0
 21 20  2  0  0  0  0
 22 25  1  0  0  0  0
 23 14  2  0  0  0  0
 24 21  1  0  0  0  0
 25 17  1  0  0  0  0
 26 19  1  0  0  0  0
 27 22  1  0  0  0  0
 28 18  1  0  0  0  0
 29 28  2  0  0  0  0
  8  6  1  0  0  0  0
 19 24  2  0  0  0  0
 14  9  1  0  0  0  0
 23 29  1  0  0  0  0
M  END
>  <Mol_ID> (3,388)
3388

>  <Formula> (3,388)
C20H20N6O2S

>  <MolWeight> (3,388)
408.4768

>  <COMPOUND_NAME> (3,388)
WAY-351839

>  <BAR_CODE_NO> (3,388)
2562076

$$$$
WAY-351840
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
    9.7500   -6.1542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1375   -5.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5667   -6.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1792   -4.3375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2292   -5.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4292   -7.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6167   -7.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2625   -4.6792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8250   -7.0667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0167   -3.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4000   -5.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2792   -8.0250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1375   -5.9750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4667   -7.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3792   -5.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000   -3.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1500   -8.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1667   -4.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500   -4.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3375   -8.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6292   -9.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0417   -2.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -9.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2917  -10.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4792  -10.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  2  2  0  0  0  0
  9  3  2  0  0  0  0
 10  5  1  0  0  0  0
 11  5  1  0  0  0  0
 12  7  1  0  0  0  0
 13  7  2  0  0  0  0
 14 12  1  0  0  0  0
 15 11  1  0  0  0  0
 16 10  1  0  0  0  0
 17 14  1  0  0  0  0
 18 15  1  0  0  0  0
 19 18  1  0  0  0  0
 20 17  2  0  0  0  0
 21 17  1  0  0  0  0
 22 19  1  0  0  0  0
 23 20  1  0  0  0  0
 24 21  2  0  0  0  0
 25 24  1  0  0  0  0
  5  4  1  0  0  0  0
 18 16  1  0  0  0  0
 25 23  2  0  0  0  0
M  END
>  <Mol_ID> (3,389)
3389

>  <Formula> (3,389)
C19H25N3O3

>  <MolWeight> (3,389)
343.4201

>  <COMPOUND_NAME> (3,389)
WAY-351840

>  <BAR_CODE_NO> (3,389)
2562128

$$$$
WAY-351846
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
   12.5667  -10.9125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.6042  -10.9042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0417  -10.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2292  -11.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4417   -9.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2042  -10.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9167   -8.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8417  -11.9167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4667  -11.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4792   -9.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0000  -10.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2167  -11.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9250  -10.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2000  -10.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8667   -8.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7792   -8.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3500   -7.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3542   -9.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000   -7.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000   -9.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5667   -9.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0292  -12.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0042   -8.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0375   -8.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -12.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7292   -8.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8125  -13.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7917  -13.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5 10  1  0  0  0  0
  6  2  1  0  0  0  0
  7  5  1  0  0  0  0
  8  1  2  0  0  0  0
  9  1  2  0  0  0  0
 10 11  1  0  0  0  0
 11  3  2  0  0  0  0
 12  4  2  0  0  0  0
 13  5  2  0  0  0  0
 14  6  1  0  0  0  0
 15  7  1  0  0  0  0
 16 20  1  0  0  0  0
 17 15  2  0  0  0  0
 18 15  1  0  0  0  0
 19 17  1  0  0  0  0
 20 18  2  0  0  0  0
 21  3  1  0  0  0  0
 22  4  1  0  0  0  0
 23 24  1  0  0  0  0
 24 21  2  0  0  0  0
 25 12  1  0  0  0  0
 26 16  1  0  0  0  0
 27 22  2  0  0  0  0
 28 27  1  0  0  0  0
 14 12  1  0  0  0  0
 10 23  2  0  0  0  0
 25 28  2  0  0  0  0
 19 16  2  0  0  0  0
M  END
>  <Mol_ID> (3,390)
3390

>  <Formula> (3,390)
C22H20N2O3S

>  <MolWeight> (3,390)
392.4708

>  <COMPOUND_NAME> (3,390)
WAY-351846

>  <BAR_CODE_NO> (3,390)
2562134

$$$$
WAY-351854
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   13.8000   -3.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5917   -1.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2417   -4.3125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4792   -5.8167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4667   -2.7667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3542   -5.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4750   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6792   -5.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2292   -5.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9042   -3.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2417   -2.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1500   -1.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1417   -0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9125   -2.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5792   -2.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6667   -6.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5667   -5.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5667    0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2667   -0.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5417   -6.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -5.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8125    0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1125    1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2292    1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 12  1  0  0  0  0
  3  1  1  0  0  0  0
  4  6  3  0  0  0  0
  5 10  1  0  0  0  0
  6  9  1  0  0  0  0
  7 14  1  0  0  0  0
  8  3  1  0  0  0  0
  9  8  2  0  0  0  0
 10  1  1  0  0  0  0
 11  1  2  0  0  0  0
 12 15  1  0  0  0  0
 13  2  1  0  0  0  0
 14  5  1  0  0  0  0
 15  5  1  0  0  0  0
 16  9  1  0  0  0  0
 17  8  1  0  0  0  0
 18 13  1  0  0  0  0
 19 13  2  0  0  0  0
 20 21  1  0  0  0  0
 21 17  2  0  0  0  0
 22 19  1  0  0  0  0
 23 18  2  0  0  0  0
 24 22  2  0  0  0  0
  2  7  2  0  0  0  0
 20 16  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (3,391)
3391

>  <Formula> (3,391)
C20H19N3O

>  <MolWeight> (3,391)
317.38436

>  <COMPOUND_NAME> (3,391)
WAY-351854

>  <BAR_CODE_NO> (3,391)
2562142

$$$$
WAY-351869
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
   13.8000   -8.8792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.8375   -4.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2500   -7.8917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1875   -4.9042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1875   -3.1042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1292   -3.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1625   -5.9667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1292   -4.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6125   -4.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3417   -9.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7792   -8.3292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8167   -9.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1417   -7.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8167   -6.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1667   -2.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9542   -4.0167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.2667   -5.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6000   -6.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5042   -4.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1792   -4.0292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1667   -5.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4542   -9.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7667  -10.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2000   -3.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2000   -4.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -10.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3042  -11.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2250   -2.8917    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   15.4250  -11.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9750  -12.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 16  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  2  1  0  0  0  0
  6  5  1  0  0  0  0
  7 17  1  0  0  0  0
  8  4  1  0  0  0  0
  9  7  1  0  0  0  0
 10  1  1  0  0  0  0
 11  1  2  0  0  0  0
 12  1  2  0  0  0  0
 13  3  1  0  0  0  0
 14  3  1  0  0  0  0
 15  6  1  0  0  0  0
 16 19  1  0  0  0  0
 17 14  1  0  0  0  0
 18 13  1  0  0  0  0
 19  9  1  0  0  0  0
 20  9  2  0  0  0  0
 21  8  1  0  0  0  0
 22 10  2  0  0  0  0
 23 10  1  0  0  0  0
 24 15  2  0  0  0  0
 25 21  2  0  0  0  0
 26 22  1  0  0  0  0
 27 23  2  0  0  0  0
 28 24  1  0  0  0  0
 29 27  1  0  0  0  0
 30 29  1  0  0  0  0
 18  7  1  0  0  0  0
 26 29  2  0  0  0  0
  6  8  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (3,392)
3392

>  <Formula> (3,392)
C20H21ClN4O3S2

>  <MolWeight> (3,392)
464.98874

>  <COMPOUND_NAME> (3,392)
WAY-351869

>  <BAR_CODE_NO> (3,392)
2562126

$$$$
WAY-351872
csChFnd80/06171916322D

 28 30  0  0  0  0  0  0  0  0999 V2000
    8.3750   -4.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7792   -3.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0250   -2.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3542   -4.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1417   -3.0375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9000   -5.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0292   -1.5042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2542   -2.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9750   -6.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9500   -6.7917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.9792   -8.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4875   -7.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4667   -7.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4417   -5.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2500   -1.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1292   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9167   -5.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5042   -5.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3792   -5.9042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.6375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0125   -6.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9542   -5.0250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5292   -5.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4292   -5.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4292   -9.4917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3667   -3.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0125   -5.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4167   -9.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  2  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  5  1  0  0  0  0
  9 10  1  0  0  0  0
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  9  2  0  0  0  0
 14 24  1  0  0  0  0
 15  8  2  0  0  0  0
 16  7  2  0  0  0  0
 17  6  1  0  0  0  0
 18  9  1  0  0  0  0
 19  6  2  0  0  0  0
 20 11  2  0  0  0  0
 21 23  1  0  0  0  0
 22 14  2  0  0  0  0
 23 18  2  0  0  0  0
 24 17  1  0  0  0  0
 25 11  1  0  0  0  0
 26  8  1  0  0  0  0
 27 18  1  0  0  0  0
 28 25  1  0  0  0  0
  3  5  1  0  0  0  0
 16 15  1  0  0  0  0
 21 12  2  0  0  0  0
M  END
>  <Mol_ID> (3,393)
3393

>  <Formula> (3,393)
C18H17N5O5

>  <MolWeight> (3,393)
383.35808

>  <COMPOUND_NAME> (3,393)
WAY-351872

>  <BAR_CODE_NO> (3,393)
2562103

$$$$
WAY-351893
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -1.6083    1.0083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1250    0.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3833    0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6125   -0.3167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3833   -0.0667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208    1.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083    2.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208    2.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958    0.3458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3750   -2.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7875   -3.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9542   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3750   -1.0875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0583    1.2333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7917   -1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6167   -3.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667    0.3458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0292   -2.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6167   -1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667   -3.9542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0292   -3.9667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5375   -3.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8667   -3.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  6  1  0  0  0  0
  9  2  1  0  0  0  0
 10 15  2  0  0  0  0
 11 10  1  0  0  0  0
 12 18  1  0  0  0  0
 13 12  1  0  0  0  0
 14  3  2  0  0  0  0
 15 13  1  0  0  0  0
 16 19  1  0  0  0  0
 17 12  2  0  0  0  0
 18  9  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 21 11  1  0  0  0  0
 22 16  1  0  0  0  0
 23 21  1  0  0  0  0
 24 22  1  0  0  0  0
  8  7  1  0  0  0  0
  4  5  1  0  0  0  0
 11 16  2  0  0  0  0
M  END
>  <Mol_ID> (3,394)
3394

>  <Formula> (3,394)
C15H18N4O4S

>  <MolWeight> (3,394)
350.39282

>  <COMPOUND_NAME> (3,394)
WAY-351893

>  <BAR_CODE_NO> (3,394)
2562154

$$$$
WAY-351919
csChFnd80/06171916322D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -0.5899    0.1475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3207    1.3972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1309    0.1475    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1253   -1.3161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8544    1.2240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6027   -1.3530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3788   -2.2378    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3382   -1.7917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6064   -0.0811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8682    2.3373    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0663   -1.8359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1106    0.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2617    1.7253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
  6  7  1  0  0  0  0
 12 13  2  0  0  0  0
M  END
>  <Mol_ID> (3,395)
3395

>  <Formula> (3,395)
C8H5NO2S2

>  <MolWeight> (3,395)
211.2608

>  <COMPOUND_NAME> (3,395)
WAY-351919

>  <BAR_CODE_NO> (3,395)
2562269

$$$$
WAY-351939
csChFnd80/06171916322D

 21 22  0  0  0  0  0  0  0  0999 V2000
    7.4792   -4.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1625   -3.6250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2042   -6.0667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3542   -3.6625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.5792   -7.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7625   -7.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.1875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   13.8917   -8.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8625   -5.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4542   -6.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4875   -8.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0667   -4.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6167   -6.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3542   -2.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0125   -3.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3292   -7.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0417   -1.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042   -2.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4000   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667   -1.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0542   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4 12  1  0  0  0  0
  5  8  1  0  0  0  0
  6 16  1  0  0  0  0
  7  5  1  0  0  0  0
  8 11  2  0  0  0  0
  9 10  1  0  0  0  0
 10  6  2  0  0  0  0
 11  6  1  0  0  0  0
 12  1  1  0  0  0  0
 13  3  1  0  0  0  0
 14 15  1  0  0  0  0
 15  4  1  0  0  0  0
 16 13  1  0  0  0  0
 17 14  1  0  0  0  0
 18 14  2  0  0  0  0
 19 17  2  0  0  0  0
 20 18  1  0  0  0  0
 21 20  2  0  0  0  0
  9  5  2  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <Mol_ID> (3,396)
3396

>  <Formula> (3,396)
C17H18ClNOS

>  <MolWeight> (3,396)
319.84892

>  <COMPOUND_NAME> (3,396)
WAY-351939

>  <BAR_CODE_NO> (3,396)
2562184

$$$$
WAY-351940
csChFnd80/06171916322D

 33 37  0  0  0  0  0  0  0  0999 V2000
   11.3167   -9.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6292   -8.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6417  -10.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2792   -8.3167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3000  -10.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6250   -9.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6042   -9.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5250   -7.2917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.7542   -7.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0500   -3.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1792   -6.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4167   -3.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5625   -8.3417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4792   -4.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1167   -4.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3500  -11.7917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2417   -9.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6750  -10.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5375   -5.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5167   -7.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3250   -3.6667    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.0500   -2.2917    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.0417   -5.0417    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2375   -7.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2125   -8.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0917   -2.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1417   -3.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4500   -2.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9292   -9.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4625  -11.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -10.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5125  -12.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7792  -11.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  5  1  0  0  0  0
  8  2  1  0  0  0  0
  9  6  2  0  0  0  0
 10 12  1  0  0  0  0
 11 20  1  0  0  0  0
 12 15  1  0  0  0  0
 13 17  1  0  0  0  0
 14 11  1  0  0  0  0
 15 14  2  0  0  0  0
 16  3  2  0  0  0  0
 17  7  1  0  0  0  0
 18  6  1  0  0  0  0
 19 24  1  0  0  0  0
 20 25  1  0  0  0  0
 21 10  1  0  0  0  0
 22 10  1  0  0  0  0
 23 10  1  0  0  0  0
 24 13  1  0  0  0  0
 25 13  1  0  0  0  0
 26 28  1  0  0  0  0
 27 14  1  0  0  0  0
 28 27  2  0  0  0  0
 29 18  2  0  0  0  0
 30 18  1  0  0  0  0
 31 29  1  0  0  0  0
 32 30  2  0  0  0  0
 33 32  1  0  0  0  0
  9  8  1  0  0  0  0
  4  7  2  0  0  0  0
 31 33  2  0  0  0  0
 11 19  1  0  0  0  0
 12 26  2  0  0  0  0
M  END
>  <Mol_ID> (3,397)
3397

>  <Formula> (3,397)
C24H21F3N4OS

>  <MolWeight> (3,397)
470.5099496

>  <COMPOUND_NAME> (3,397)
WAY-351940

>  <BAR_CODE_NO> (3,397)
2562185

$$$$
WAY-351944
csChFnd80/06171916322D

 21 22  0  0  0  0  0  0  0  0999 V2000
    8.0167   -4.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6292   -6.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9917   -5.8167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9500   -6.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6667   -5.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9417   -8.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6167   -8.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7292   -7.0500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.7000   -3.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6917   -4.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9667   -8.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7167   -9.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9667   -8.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0667   -2.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0667   -3.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7500   -2.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7500   -3.4375    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   10.0042   -3.5542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6625   -4.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6917   -2.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  5  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  4  2  0  0  0  0
  8  6  1  0  0  0  0
  9  1  2  0  0  0  0
 10  1  1  0  0  0  0
 11  8  1  0  0  0  0
 12  2  2  0  0  0  0
 13  6  2  0  0  0  0
 14 13  1  0  0  0  0
 15  9  1  0  0  0  0
 16 10  2  0  0  0  0
 17 16  1  0  0  0  0
 18 16  1  0  0  0  0
 19  9  1  0  0  0  0
 20  3  1  0  0  0  0
 21 19  1  0  0  0  0
 17 15  2  0  0  0  0
 11 14  2  0  0  0  0
M  END
>  <Mol_ID> (3,398)
3398

>  <Formula> (3,398)
C16H16BrNO2S

>  <MolWeight> (3,398)
366.27274

>  <COMPOUND_NAME> (3,398)
WAY-351944

>  <BAR_CODE_NO> (3,398)
2562189

$$$$
WAY-351987
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -1.2458    1.0125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583    0.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0208    0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2458   -0.3167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0208   -0.0667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9583    1.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1375    2.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583    2.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7375   -1.0917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667    0.3458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1542   -1.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7375   -2.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167   -0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1417   -3.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6958    1.2333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292    0.3458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9875   -1.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792   -0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9667   -3.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9125   -2.5167    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.3917   -2.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3792   -3.9750    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  6  1  0  0  0  0
  9 13  1  0  0  0  0
 10  2  1  0  0  0  0
 11  9  1  0  0  0  0
 12 11  2  0  0  0  0
 13 18  1  0  0  0  0
 14 12  1  0  0  0  0
 15  3  2  0  0  0  0
 16 13  2  0  0  0  0
 17 11  1  0  0  0  0
 18 10  1  0  0  0  0
 19 21  1  0  0  0  0
 20 12  1  0  0  0  0
 21 17  2  0  0  0  0
 22 19  1  0  0  0  0
  8  7  1  0  0  0  0
  4  5  1  0  0  0  0
 19 14  2  0  0  0  0
M  END
>  <Mol_ID> (3,399)
3399

>  <Formula> (3,399)
C13H12Cl2N4O2S

>  <MolWeight> (3,399)
359.23098

>  <COMPOUND_NAME> (3,399)
WAY-351987

>  <BAR_CODE_NO> (3,399)
2562256

$$$$
WAY-351988
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    8.4542   -4.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8292   -6.0375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8042   -3.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9375   -4.9667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5750   -6.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5542   -3.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7000   -4.9292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.5750   -5.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2042   -7.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1792   -4.9042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3292   -5.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4417   -7.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1000   -8.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3500  -10.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4750   -9.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3417   -8.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1125  -10.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9542   -9.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4167   -2.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9542   -7.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9167   -2.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -11.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7792   -1.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5292   -1.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  6  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8 11  1  0  0  0  0
  9  8  1  0  0  0  0
 10  8  2  0  0  0  0
 11  7  1  0  0  0  0
 12  9  1  0  0  0  0
 13 12  1  0  0  0  0
 14 18  1  0  0  0  0
 15 13  2  0  0  0  0
 16 13  1  0  0  0  0
 17 15  1  0  0  0  0
 18 16  2  0  0  0  0
 19  3  2  0  0  0  0
 20  5  1  0  0  0  0
 21  6  2  0  0  0  0
 22 14  1  0  0  0  0
 23 19  1  0  0  0  0
 24 23  2  0  0  0  0
  4  5  2  0  0  0  0
 24 21  1  0  0  0  0
 14 17  2  0  0  0  0
M  END
>  <Mol_ID> (3,400)
3400

>  <Formula> (3,400)
C19H19N3OS

>  <MolWeight> (3,400)
337.43866

>  <COMPOUND_NAME> (3,400)
WAY-351988

>  <BAR_CODE_NO> (3,400)
2562257

$$$$
WAY-351997
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    9.9250   -6.1125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.7917   -5.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6167   -5.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7917   -4.5667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9167   -4.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.2042   -7.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7750   -6.3375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.5792   -6.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8042   -5.1417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.6042   -8.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4042   -6.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1917   -5.1542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7417   -5.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4000   -8.2625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3917   -7.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2042   -9.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7542   -4.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7250   -6.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8125   -9.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4042   -9.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7292   -3.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6917   -5.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6917   -4.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  2  0  0  0  0
  6  8  1  0  0  0  0
  7  2  1  0  0  0  0
  8 11  1  0  0  0  0
  9  3  1  0  0  0  0
 10  6  1  0  0  0  0
 11  9  1  0  0  0  0
 12  8  2  0  0  0  0
 13  7  1  0  0  0  0
 14 10  1  0  0  0  0
 15  6  2  0  0  0  0
 16 10  2  0  0  0  0
 17 13  2  0  0  0  0
 18 13  1  0  0  0  0
 19 14  1  0  0  0  0
 20 15  1  0  0  0  0
 21 20  2  0  0  0  0
 22 17  1  0  0  0  0
 23 18  2  0  0  0  0
 24 23  1  0  0  0  0
  5  4  1  0  0  0  0
 22 24  2  0  0  0  0
 16 21  1  0  0  0  0
M  END
>  <Mol_ID> (3,401)
3401

>  <Formula> (3,401)
C17H15N3O2S2

>  <MolWeight> (3,401)
357.4499

>  <COMPOUND_NAME> (3,401)
WAY-351997

>  <BAR_CODE_NO> (3,401)
2562284

$$$$
WAY-352005
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   14.4250  -12.6292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8917  -11.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4667  -12.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4542  -10.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9875  -11.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4167  -10.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8500  -11.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7125   -9.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -13.5250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1917  -10.8417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3250  -10.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8875   -9.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1875   -9.0375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2792  -10.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7542   -9.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8417   -9.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1375   -9.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5667   -8.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6125   -8.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0417   -7.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0417   -9.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9917   -7.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9917   -9.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4667   -8.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  5  2  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  2  2  0  0  0  0
  8 15  1  0  0  0  0
  9  3  2  0  0  0  0
 10  8  2  0  0  0  0
 11  7  1  0  0  0  0
 12  6  2  0  0  0  0
 13  8  1  0  0  0  0
 14 11  1  0  0  0  0
 15 14  1  0  0  0  0
 16 11  2  0  0  0  0
 17 13  1  0  0  0  0
 18 19  1  0  0  0  0
 19 17  1  0  0  0  0
 20 18  1  0  0  0  0
 21 18  2  0  0  0  0
 22 20  2  0  0  0  0
 23 21  1  0  0  0  0
 24 23  2  0  0  0  0
  4  6  1  0  0  0  0
 12 16  1  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <Mol_ID> (3,402)
3402

>  <Formula> (3,402)
C19H17NO4

>  <MolWeight> (3,402)
323.34258

>  <COMPOUND_NAME> (3,402)
WAY-352005

>  <BAR_CODE_NO> (3,402)
2562291

$$$$
WAY-352006
csChFnd80/06171916322D

 25 26  0  0  0  0  0  0  0  0999 V2000
    7.6417   -3.6917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.0542   -4.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9917   -2.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4042   -2.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2292   -2.9792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0417   -5.3042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7250   -5.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3375   -5.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8792   -4.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1667   -2.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4167   -1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9917   -3.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3625   -3.2792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9292   -4.1042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7542   -2.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1667   -3.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2542   -1.5542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0042   -0.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9292   -2.9792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7417   -4.4167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9125   -5.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4375   -3.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4167   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9167   -4.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5167   -3.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  6  9  2  0  0  0  0
  7  2  2  0  0  0  0
  8  7  1  0  0  0  0
  9  2  1  0  0  0  0
 10  3  2  0  0  0  0
 11  3  1  0  0  0  0
 12  4  2  0  0  0  0
 13  1  2  0  0  0  0
 14  1  2  0  0  0  0
 15 16  2  0  0  0  0
 16 12  1  0  0  0  0
 17 11  2  0  0  0  0
 18 11  1  0  0  0  0
 19 15  1  0  0  0  0
 20 16  1  0  0  0  0
 21  7  1  0  0  0  0
 22  9  1  0  0  0  0
 23 18  1  0  0  0  0
 24 20  1  0  0  0  0
 25 19  1  0  0  0  0
  8  6  1  0  0  0  0
 15 10  1  0  0  0  0
M  END
>  <Mol_ID> (3,403)
3403

>  <Formula> (3,403)
C15H19N3O6S

>  <MolWeight> (3,403)
369.39286

>  <COMPOUND_NAME> (3,403)
WAY-352006

>  <BAR_CODE_NO> (3,403)
2562292

$$$$
WAY-352009
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
    2.9375   -1.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8417    0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3458    4.0792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3667   -3.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3250    0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4208    2.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4667   -5.3125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1042   -1.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9125    2.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8167    4.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6542   -5.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2000   -3.4250    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.8542   -3.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4542   -1.5625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7542   -7.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833   -1.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6875   -9.0417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5458    1.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0750    2.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7708   -0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8917    5.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7167   -3.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1167   -5.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9250   -7.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7917  -10.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1500    4.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0542    5.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8917   -3.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -5.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3 10  1  0  0  0  0
  4 12  1  0  0  0  0
  5  2  2  0  0  0  0
  6  5  1  0  0  0  0
  7  4  1  0  0  0  0
  8  1  1  0  0  0  0
  9  2  1  0  0  0  0
 10  9  1  0  0  0  0
 11  7  1  0  0  0  0
 12  8  1  0  0  0  0
 13  1  2  0  0  0  0
 14  4  2  0  0  0  0
 15 11  2  0  0  0  0
 16  5  1  0  0  0  0
 17 15  1  0  0  0  0
 18  6  1  0  0  0  0
 19  9  2  0  0  0  0
 20 16  1  0  0  0  0
 21 10  2  0  0  0  0
 22 11  1  0  0  0  0
 23 12  1  0  0  0  0
 24 15  1  0  0  0  0
 25 17  1  0  0  0  0
 26 19  1  0  0  0  0
 27 26  2  0  0  0  0
 28 22  2  0  0  0  0
 29 28  1  0  0  0  0
  6  3  2  0  0  0  0
 20 18  1  0  0  0  0
 21 27  1  0  0  0  0
 24 29  2  0  0  0  0
M  END
>  <Mol_ID> (3,404)
3404

>  <Formula> (3,404)
C23H22N2O4

>  <MolWeight> (3,404)
390.43178

>  <COMPOUND_NAME> (3,404)
WAY-352009

>  <BAR_CODE_NO> (3,404)
2562406

$$$$
WAY-352026
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
    7.8917   -5.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1792   -8.2250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8875   -3.3667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8417   -6.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8500   -5.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7625   -5.4042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0125   -3.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8292   -6.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8042   -5.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9042   -6.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8292   -3.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7875   -3.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042   -5.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1792   -1.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0875   -1.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1125   -5.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667   -3.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2875   -6.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2417   -0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  1  0  0  0  0
  4  9  2  0  0  0  0
  5  1  1  0  0  0  0
  6  2  2  0  0  0  0
  7 10  1  0  0  0  0
  8  3  1  0  0  0  0
  9  5  1  0  0  0  0
 10 13  2  0  0  0  0
 11  1  2  0  0  0  0
 12  5  2  0  0  0  0
 13 12  1  0  0  0  0
 14 17  2  0  0  0  0
 15 16  1  0  0  0  0
 16  8  2  0  0  0  0
 17  8  1  0  0  0  0
 18 14  1  0  0  0  0
 19 14  1  0  0  0  0
 20 15  1  0  0  0  0
 10  4  1  0  0  0  0
  7  6  1  0  0  0  0
 15 18  2  0  0  0  0
M  END
>  <Mol_ID> (3,405)
3405

>  <Formula> (3,405)
C16H15N3O

>  <MolWeight> (3,405)
265.3098

>  <COMPOUND_NAME> (3,405)
WAY-352026

>  <BAR_CODE_NO> (3,405)
2562306

$$$$
WAY-352049
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
    7.6125   -8.8167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.0292   -7.8375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5375  -11.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6500  -11.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1875   -9.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9000   -7.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9792  -10.7542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.3167  -10.7292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6375   -9.3875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5875   -8.2417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3042   -9.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8875  -11.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2042  -10.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8667  -10.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9792  -12.6792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3250   -6.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2125  -12.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3292  -12.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -11.6917    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.8667   -5.8917    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.6250  -10.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3542   -8.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1875  -11.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3125  -11.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2042   -6.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2292   -8.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6542   -7.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  7  1  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7 14  1  0  0  0  0
  8 13  2  0  0  0  0
  9  1  2  0  0  0  0
 10  1  2  0  0  0  0
 11  5  2  0  0  0  0
 12 18  2  0  0  0  0
 13  4  1  0  0  0  0
 14 11  1  0  0  0  0
 15  3  2  0  0  0  0
 16  6  1  0  0  0  0
 17  4  2  0  0  0  0
 18 17  1  0  0  0  0
 19 12  1  0  0  0  0
 20 16  1  0  0  0  0
 21  5  1  0  0  0  0
 22  6  2  0  0  0  0
 23 21  2  0  0  0  0
 24 23  1  0  0  0  0
 25 16  2  0  0  0  0
 26 22  1  0  0  0  0
 27 26  2  0  0  0  0
 24 14  2  0  0  0  0
 27 25  1  0  0  0  0
 12  8  1  0  0  0  0
M  END
>  <Mol_ID> (3,406)
3406

>  <Formula> (3,406)
C18H13Cl2N3O3S

>  <MolWeight> (3,406)
422.28512

>  <COMPOUND_NAME> (3,406)
WAY-352049

>  <BAR_CODE_NO> (3,406)
2562328

$$$$
WAY-352056
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
    1.5417   -2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9167   -8.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0667  -10.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6667   -4.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9167  -12.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3417  -10.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7167   -0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0417   -6.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9292   -4.2375    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.7250   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6250    1.6708    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0667   -2.2917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7917    3.6083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8208   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4750  -12.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4667   -8.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0292  -14.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6667  -12.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6458    1.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7292  -12.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7417   -8.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8917  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5125  -14.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8792  -10.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6292  -15.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  8  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8  9  1  0  0  0  0
  9  4  1  0  0  0  0
 10  1  1  0  0  0  0
 11  7  1  0  0  0  0
 12  9  1  0  0  0  0
 13 11  1  0  0  0  0
 14 10  1  0  0  0  0
 15  6  2  0  0  0  0
 16  6  1  0  0  0  0
 17  5  2  0  0  0  0
 18  5  1  0  0  0  0
 19 14  1  0  0  0  0
 20 15  1  0  0  0  0
 21 16  2  0  0  0  0
 22 17  1  0  0  0  0
 23 18  2  0  0  0  0
 24 21  1  0  0  0  0
 25 23  1  0  0  0  0
 11 19  1  0  0  0  0
 20 24  2  0  0  0  0
 22 25  2  0  0  0  0
M  END
>  <Mol_ID> (3,407)
3407

>  <Formula> (3,407)
C21H27NO3

>  <MolWeight> (3,407)
341.44398

>  <COMPOUND_NAME> (3,407)
WAY-352056

>  <BAR_CODE_NO> (3,407)
2562355

$$$$
WAY-352059
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
    6.1792   -5.1417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.3167   -7.9167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7292   -6.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9875   -7.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9667   -7.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4500   -6.9667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6292   -4.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8042   -6.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1000   -4.5875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2542   -5.6917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2375   -7.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0750   -7.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3667   -6.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4417   -8.8417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6417   -6.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7042   -6.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7000   -8.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6167   -8.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6167   -6.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9625   -8.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2042   -7.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9917   -8.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7625   -7.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5500   -4.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1417   -3.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8542   -7.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 11  1  0  0  0  0
  3  1  1  0  0  0  0
  4  6  1  0  0  0  0
  5  2  1  0  0  0  0
  6 13  1  0  0  0  0
  7  1  1  0  0  0  0
  8  3  2  0  0  0  0
  9  1  2  0  0  0  0
 10  1  2  0  0  0  0
 11 16  2  0  0  0  0
 12  4  1  0  0  0  0
 13  8  1  0  0  0  0
 14  4  2  0  0  0  0
 15  5  2  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 18 12  1  0  0  0  0
 19 12  2  0  0  0  0
 20  2  1  0  0  0  0
 21  5  1  0  0  0  0
 22  3  1  0  0  0  0
 23 20  1  0  0  0  0
 24 22  2  0  0  0  0
 25  7  1  0  0  0  0
 26  7  1  0  0  0  0
 27 24  1  0  0  0  0
 27 13  2  0  0  0  0
 11 17  1  0  0  0  0
 23 21  1  0  0  0  0
M  END
>  <Mol_ID> (3,408)
3408

>  <Formula> (3,408)
C19H21N3O4S

>  <MolWeight> (3,408)
387.45274

>  <COMPOUND_NAME> (3,408)
WAY-352059

>  <BAR_CODE_NO> (3,408)
2562358

$$$$
WAY-352063
csChFnd80/06171916322D

 23 26  0  0  0  0  0  0  0  0999 V2000
    9.0542   -4.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3667   -5.5542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2250   -4.6167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3667   -3.6667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.8042   -5.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4167   -6.6542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2542   -4.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2542   -5.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8167   -5.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2500   -3.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6125   -6.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2917   -6.5125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4375   -4.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2500   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2292   -5.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6375   -4.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2417   -4.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2417   -5.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2167   -3.4375    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.2042   -7.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4125   -5.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3792   -7.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  9  2  0  0  0  0
  7  4  1  0  0  0  0
  8  2  1  0  0  0  0
  9  5  1  0  0  0  0
 10  7  2  0  0  0  0
 11  6  1  0  0  0  0
 12  5  2  0  0  0  0
 13  9  1  0  0  0  0
 14  8  2  0  0  0  0
 15 16  1  0  0  0  0
 16 13  2  0  0  0  0
 17 10  1  0  0  0  0
 18 14  1  0  0  0  0
 19 17  1  0  0  0  0
 20 11  1  0  0  0  0
 21 15  1  0  0  0  0
 22 20  2  0  0  0  0
 23 21  2  0  0  0  0
  7  8  1  0  0  0  0
 17 18  2  0  0  0  0
 11 15  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (3,409)
3409

>  <Formula> (3,409)
C17H10FN3OS

>  <MolWeight> (3,409)
323.3442032

>  <COMPOUND_NAME> (3,409)
WAY-352063

>  <BAR_CODE_NO> (3,409)
2562362

$$$$
WAY-352065
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
   10.4042   -7.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1792   -7.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8125   -6.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8292   -5.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8500   -5.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0917   -8.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8292   -4.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5917   -5.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4167   -8.1125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0000   -5.6750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9542   -6.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7542   -4.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9000   -4.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0042   -4.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3125   -8.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1375   -5.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8250   -2.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7167   -6.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7542   -2.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9000   -2.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7792   -4.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7625   -7.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0167   -9.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8500   -6.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2375   -8.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0667   -6.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9125   -5.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8167   -1.0292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7500   -0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2750   -6.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8  4  1  0  0  0  0
  9  2  2  0  0  0  0
 10  3  2  0  0  0  0
 11  8  2  0  0  0  0
 12  7  2  0  0  0  0
 13  7  1  0  0  0  0
 14  8  1  0  0  0  0
 15  6  1  0  0  0  0
 16 21  1  0  0  0  0
 17 20  1  0  0  0  0
 18 11  1  0  0  0  0
 19 12  1  0  0  0  0
 20 13  2  0  0  0  0
 21 14  2  0  0  0  0
 22 26  2  0  0  0  0
 23 15  1  0  0  0  0
 24 15  2  0  0  0  0
 25 23  2  0  0  0  0
 26 24  1  0  0  0  0
 27 16  1  0  0  0  0
 28 17  1  0  0  0  0
 29 22  1  0  0  0  0
 30 28  1  0  0  0  0
 31 27  1  0  0  0  0
  4  5  1  0  0  0  0
 25 22  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
M  END
>  <Mol_ID> (3,410)
3410

>  <Formula> (3,410)
C25H24N2O4

>  <MolWeight> (3,410)
416.46906

>  <COMPOUND_NAME> (3,410)
WAY-352065

>  <BAR_CODE_NO> (3,410)
2562331

$$$$
WAY-352071
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
   14.3292   -9.7750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0167   -9.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2375   -8.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9625   -8.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7792   -9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7792   -7.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4042   -8.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4792   -8.8625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8625   -7.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8625   -9.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2500   -9.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1000   -9.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4875  -10.7292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6292   -7.8750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7125   -8.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7250  -10.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6500  -10.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6375   -8.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1500   -8.8625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2292   -6.9792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2250  -10.7417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9667  -10.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9917   -9.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -10.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6125   -7.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1417  -10.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7667   -6.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 12  1  0  0  0  0
  3  5  1  0  0  0  0
  4  1  1  0  0  0  0
  5 10  2  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  8  2  1  0  0  0  0
  9  7  2  0  0  0  0
 10  7  1  0  0  0  0
 11  1  1  0  0  0  0
 12 17  1  0  0  0  0
 13  2  2  0  0  0  0
 14  4  2  0  0  0  0
 15 11  2  0  0  0  0
 16 11  1  0  0  0  0
 17 16  2  0  0  0  0
 18 15  1  0  0  0  0
 19  3  1  0  0  0  0
 20  6  1  0  0  0  0
 21  5  1  0  0  0  0
 22  1  1  0  0  0  0
 23  4  1  0  0  0  0
 24 22  1  0  0  0  0
 25 19  1  0  0  0  0
 26 21  1  0  0  0  0
 27 20  1  0  0  0  0
 24 23  1  0  0  0  0
 18 12  2  0  0  0  0
  3  6  2  0  0  0  0
M  END
>  <Mol_ID> (3,411)
3411

>  <Formula> (3,411)
C20H22N2O5

>  <MolWeight> (3,411)
370.39908

>  <COMPOUND_NAME> (3,411)
WAY-352071

>  <BAR_CODE_NO> (3,411)
2562337

$$$$
WAY-352072
csChFnd80/06171916322D

 15 16  0  0  0  0  0  0  0  0999 V2000
    5.9667   -3.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1167   -3.6292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2500   -5.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2500   -5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7042   -5.3375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1250   -7.7792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.7250   -1.8792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.0542   -4.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6792   -4.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6042   -7.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6917   -2.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0792   -5.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2375   -7.3417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292   -5.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -9.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  2  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8  3  2  0  0  0  0
  9  5  1  0  0  0  0
 10  6  1  0  0  0  0
 11  7  1  0  0  0  0
 12  8  1  0  0  0  0
 13  4  2  0  0  0  0
 14  9  1  0  0  0  0
 15 10  1  0  0  0  0
  9 11  2  0  0  0  0
 10 12  2  0  0  0  0
M  END
>  <Mol_ID> (3,412)
3412

>  <Formula> (3,412)
C10H10N2OS2

>  <MolWeight> (3,412)
238.3292

>  <COMPOUND_NAME> (3,412)
WAY-352072

>  <BAR_CODE_NO> (3,412)
2562338

$$$$
WAY-352073
csChFnd80/06171916322D

 20 21  0  0  0  0  0  0  0  0999 V2000
    9.4000   -2.0625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.0375   -2.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7625   -4.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5500   -5.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6750   -5.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3292   -3.6250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7625   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1667   -2.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0000   -1.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3167   -5.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -4.4625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2250   -5.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2542   -4.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4625   -3.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0542   -5.1542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6292   -4.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9375   -5.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3542   -5.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3792   -4.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9667   -5.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  5 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  2  0  0  0  0
  9  7  2  0  0  0  0
 10  3  2  0  0  0  0
 11  4  2  0  0  0  0
 12 18  1  0  0  0  0
 13 19  2  0  0  0  0
 14  2  1  0  0  0  0
 15 16  1  0  0  0  0
 16  3  1  0  0  0  0
 17 15  1  0  0  0  0
 18 17  2  0  0  0  0
 19 17  1  0  0  0  0
 20  4  1  0  0  0  0
  9  8  1  0  0  0  0
 12  5  2  0  0  0  0
M  END
>  <Mol_ID> (3,413)
3413

>  <Formula> (3,413)
C15H15NO3S

>  <MolWeight> (3,413)
289.3495

>  <COMPOUND_NAME> (3,413)
WAY-352073

>  <BAR_CODE_NO> (3,413)
2562339

$$$$
WAY-352085
csChFnd80/06171916322D

 28 29  0  0  0  0  0  0  0  0999 V2000
   11.9167   -8.3125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.8042   -4.8292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.8917   -8.3042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3250   -5.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3917   -7.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3792   -7.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292   -8.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2875   -3.9625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3292   -5.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6667   -4.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9417   -5.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9167   -9.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9125   -7.2875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8792   -6.5417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8542   -6.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8667   -8.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4375   -9.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4542   -7.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9625   -8.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4667   -7.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4500   -9.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.3167    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.3667   -9.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8292   -6.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3542   -7.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7750   -3.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2750   -3.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3792   -7.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  1  0  0  0  0
  4  9  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9 15  1  0  0  0  0
 10  2  2  0  0  0  0
 11  2  2  0  0  0  0
 12  1  2  0  0  0  0
 13  1  2  0  0  0  0
 14  6  1  0  0  0  0
 15 14  1  0  0  0  0
 16  6  2  0  0  0  0
 17  7  2  0  0  0  0
 18  7  1  0  0  0  0
 19 20  1  0  0  0  0
 20 18  2  0  0  0  0
 21 17  1  0  0  0  0
 22 19  1  0  0  0  0
 23  3  1  0  0  0  0
 24 25  2  0  0  0  0
 25 28  1  0  0  0  0
 26  8  1  0  0  0  0
 27  8  1  0  0  0  0
 28 15  2  0  0  0  0
 21 19  2  0  0  0  0
  4 24  1  0  0  0  0
M  END
>  <Mol_ID> (3,414)
3414

>  <Formula> (3,414)
C17H20ClN3O5S2

>  <MolWeight> (3,414)
445.9408

>  <COMPOUND_NAME> (3,414)
WAY-352085

>  <BAR_CODE_NO> (3,414)
2562376

$$$$
WAY-352086
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
    7.2292   -6.3125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.8417   -7.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6167   -5.2792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4875   -9.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8292   -8.3417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0292   -7.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -12.5625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2625   -5.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2000   -6.9292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7667   -9.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3292  -11.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6417   -8.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2542   -8.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8750  -10.5250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4250  -10.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4000   -3.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4250   -5.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8625   -9.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2042   -4.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6792  -10.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0542   -9.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3542   -8.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8167   -4.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6000   -3.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6125   -8.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0542   -8.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2750   -9.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5 12  1  0  0  0  0
  6  2  2  0  0  0  0
  7 11  3  0  0  0  0
  8  1  2  0  0  0  0
  9  1  2  0  0  0  0
 10  4  1  0  0  0  0
 11 20  1  0  0  0  0
 12  6  1  0  0  0  0
 13  2  1  0  0  0  0
 14  4  2  0  0  0  0
 15 10  2  0  0  0  0
 16 24  1  0  0  0  0
 17  3  1  0  0  0  0
 18 13  2  0  0  0  0
 19  3  1  0  0  0  0
 20 15  1  0  0  0  0
 21 18  1  0  0  0  0
 22 10  1  0  0  0  0
 23 17  1  0  0  0  0
 24 19  1  0  0  0  0
 25 22  2  0  0  0  0
 26 13  1  0  0  0  0
 27 25  1  0  0  0  0
 16 23  1  0  0  0  0
 12 21  2  0  0  0  0
 20 27  2  0  0  0  0
M  END
>  <Mol_ID> (3,415)
3415

>  <Formula> (3,415)
C19H19N3O4S

>  <MolWeight> (3,415)
385.43686

>  <COMPOUND_NAME> (3,415)
WAY-352086

>  <BAR_CODE_NO> (3,415)
2562378

$$$$
WAY-352092
csChFnd80/06171916322D

 32 35  0  0  0  0  0  0  0  0999 V2000
   13.5125   -5.9542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.0167   -5.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792   -3.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5250   -4.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792   -2.9042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1042   -3.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5250   -2.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0292   -5.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5667   -4.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6417   -4.2042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.5500   -4.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5042   -5.9375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0792   -3.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4792   -6.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7750   -6.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5042   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1000   -3.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6417   -2.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0542   -3.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0750   -5.1042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0375   -3.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0167   -3.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6000   -2.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5917   -4.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0917   -3.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4917   -4.2417    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.5875   -4.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5917   -2.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9875   -5.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0042   -6.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9750   -5.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  2  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6 17  1  0  0  0  0
  7  6  2  0  0  0  0
  8  2  2  0  0  0  0
  9 11  1  0  0  0  0
 10  3  1  0  0  0  0
 11  8  1  0  0  0  0
 12  1  1  0  0  0  0
 13  9  1  0  0  0  0
 14  1  2  0  0  0  0
 15  1  2  0  0  0  0
 16  2  1  0  0  0  0
 17 23  1  0  0  0  0
 18  5  1  0  0  0  0
 19 18  2  0  0  0  0
 20  9  2  0  0  0  0
 21 22  1  0  0  0  0
 22 16  2  0  0  0  0
 23 28  2  0  0  0  0
 24 27  1  0  0  0  0
 25 13  1  0  0  0  0
 26 16  1  0  0  0  0
 27 25  2  0  0  0  0
 28 25  1  0  0  0  0
 29 12  1  0  0  0  0
 30 12  1  0  0  0  0
 31 29  1  0  0  0  0
 32 30  1  0  0  0  0
 21 11  2  0  0  0  0
 17 24  2  0  0  0  0
  3  5  1  0  0  0  0
 10 19  1  0  0  0  0
M  END
>  <Mol_ID> (3,416)
3416

>  <Formula> (3,416)
C22H21ClN4O3S2

>  <MolWeight> (3,416)
489.01014

>  <COMPOUND_NAME> (3,416)
WAY-352092

>  <BAR_CODE_NO> (3,416)
2562382

$$$$
WAY-352098
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
    6.6792   -4.2250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6792   -4.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3000   -5.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6750   -5.5917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0750   -3.6875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6750   -5.9167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6917   -3.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7042   -2.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0875   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3417   -5.0875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.8917   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4042   -6.9042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5667   -6.9375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4167   -5.1125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8500   -5.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6042   -8.7417    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.1750   -8.3500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.3167    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.4542   -6.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5292   -6.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9750   -6.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9625   -7.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0042   -7.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0167   -6.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4792   -2.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4917   -1.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2667   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2792   -1.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  2  1  0  0  0  0
  6  3  2  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9 13  1  0  0  0  0
 10  3  1  0  0  0  0
 11 15  1  0  0  0  0
 12 11  1  0  0  0  0
 13 20  1  0  0  0  0
 14 11  2  0  0  0  0
 15 10  1  0  0  0  0
 16  9  1  0  0  0  0
 17  9  1  0  0  0  0
 18  9  1  0  0  0  0
 19 12  1  0  0  0  0
 20 23  1  0  0  0  0
 21 19  2  0  0  0  0
 22 19  1  0  0  0  0
 23 22  2  0  0  0  0
 24 21  1  0  0  0  0
 25  7  2  0  0  0  0
 26  8  2  0  0  0  0
 27 25  1  0  0  0  0
 28 27  2  0  0  0  0
  5  8  1  0  0  0  0
  6  4  1  0  0  0  0
 26 28  1  0  0  0  0
 24 20  2  0  0  0  0
M  END
>  <Mol_ID> (3,417)
3417

>  <Formula> (3,417)
C17H12F3N5O2S

>  <MolWeight> (3,417)
407.3696896

>  <COMPOUND_NAME> (3,417)
WAY-352098

>  <BAR_CODE_NO> (3,417)
2562386

$$$$
WAY-352100
csChFnd80/06171916322D

 19 20  0  0  0  0  0  0  0  0999 V2000
    8.2792   -4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0292   -4.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6542   -3.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2625   -5.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0167   -6.7417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0167   -5.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2625   -6.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7500   -5.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6292   -2.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6292   -3.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8417   -3.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2875   -5.9417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9917   -5.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7417   -4.5917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0250   -7.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7500   -6.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2625   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.1042    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   11.9917   -4.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  6  1  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
  9  3  1  0  0  0  0
 10  2  1  0  0  0  0
 11  3  2  0  0  0  0
 12  2  2  0  0  0  0
 13  8  2  0  0  0  0
 14  4  2  0  0  0  0
 15  7  2  0  0  0  0
 16 17  2  0  0  0  0
 17 15  1  0  0  0  0
 18 16  1  0  0  0  0
 19  8  1  0  0  0  0
  9 10  1  0  0  0  0
 13 16  1  0  0  0  0
M  END
>  <Mol_ID> (3,418)
3418

>  <Formula> (3,418)
C13H13BrN2O3

>  <MolWeight> (3,418)
325.15792

>  <COMPOUND_NAME> (3,418)
WAY-352100

>  <BAR_CODE_NO> (3,418)
2562390

$$$$
WAY-352106
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.9500   -3.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6667   -4.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3292   -7.6792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1417   -6.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4417   -4.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7792   -3.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.8125   -5.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3125   -6.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6667   -3.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0417   -4.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7375   -6.2667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3625   -3.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1417   -3.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7750   -3.0292    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.9625   -1.3167    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292   -4.7750    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.5417   -1.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4792   -4.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0542   -3.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1792   -4.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2375   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  2  0  0  0  0
  5  2  1  0  0  0  0
  6  3  2  0  0  0  0
  7 20  1  0  0  0  0
  8 11  1  0  0  0  0
  9  5  1  0  0  0  0
 10  1  1  0  0  0  0
 11 14  2  0  0  0  0
 12  2  2  0  0  0  0
 13  5  2  0  0  0  0
 14 13  1  0  0  0  0
 15  1  1  0  0  0  0
 16  1  1  0  0  0  0
 17  1  1  0  0  0  0
 18 10  1  0  0  0  0
 19 10  2  0  0  0  0
 20 21  2  0  0  0  0
 21 19  1  0  0  0  0
 22 18  2  0  0  0  0
 20 22  1  0  0  0  0
 11  4  1  0  0  0  0
  8  6  1  0  0  0  0
M  END
>  <Mol_ID> (3,419)
3419

>  <Formula> (3,419)
C15H10F3N3O

>  <MolWeight> (3,419)
305.2546096

>  <COMPOUND_NAME> (3,419)
WAY-352106

>  <BAR_CODE_NO> (3,419)
2562463

$$$$
WAY-352109
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   12.9000  -10.1042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2542   -9.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9417   -8.2667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.9917   -9.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0167   -8.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1250   -4.2292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6542   -5.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4167   -8.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8667   -7.1292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7917   -7.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8167   -9.1042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1125   -9.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1875   -6.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2750   -6.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5667   -8.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9667  -10.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1417   -8.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0167   -8.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2292   -8.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6292   -7.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9750   -9.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  7  3  0  0  0  0
  7 13  1  0  0  0  0
  8 15  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11  8  2  0  0  0  0
 12  2  1  0  0  0  0
 13 14  2  0  0  0  0
 14 10  1  0  0  0  0
 15 12  1  0  0  0  0
 16  4  2  0  0  0  0
 17 19  1  0  0  0  0
 18  5  2  0  0  0  0
 19 10  2  0  0  0  0
 20 17  2  0  0  0  0
 21 16  1  0  0  0  0
 22 21  2  0  0  0  0
  3  5  1  0  0  0  0
 18 22  1  0  0  0  0
 20 13  1  0  0  0  0
M  END
>  <Mol_ID> (3,420)
3420

>  <Formula> (3,420)
C17H13N3OS

>  <MolWeight> (3,420)
307.36962

>  <COMPOUND_NAME> (3,420)
WAY-352109

>  <BAR_CODE_NO> (3,420)
2562467

$$$$
WAY-352121
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
    8.7417   -5.3125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4792   -5.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4667   -7.0375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5000   -6.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7250   -7.4542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5292   -5.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3500   -4.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0542   -3.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4167   -8.6875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8042  -10.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8042   -6.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.1000  -10.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0625   -9.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3917  -10.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7667   -7.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1542   -4.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4250   -6.4167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4417   -7.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0292  -12.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3667   -9.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4417   -3.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2875   -3.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3292  -12.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -10.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8417   -2.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6917   -1.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9667   -1.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  2  1  0  0  0  0
  7  6  1  0  0  0  0
  8  6  1  0  0  0  0
  9 15  1  0  0  0  0
 10 12  3  0  0  0  0
 11  4  1  0  0  0  0
 12 14  1  0  0  0  0
 13  9  1  0  0  0  0
 14 13  2  0  0  0  0
 15 18  1  0  0  0  0
 16  1  1  0  0  0  0
 17 15  2  0  0  0  0
 18 11  1  0  0  0  0
 19 14  1  0  0  0  0
 20 13  1  0  0  0  0
 21 16  2  0  0  0  0
 22 16  1  0  0  0  0
 23 24  1  0  0  0  0
 24 20  2  0  0  0  0
 25 21  1  0  0  0  0
 26 22  2  0  0  0  0
 27 26  1  0  0  0  0
  5  3  1  0  0  0  0
  8  7  1  0  0  0  0
 25 27  2  0  0  0  0
 23 19  2  0  0  0  0
M  END
>  <Mol_ID> (3,421)
3421

>  <Formula> (3,421)
C20H17N5OS

>  <MolWeight> (3,421)
375.44688

>  <COMPOUND_NAME> (3,421)
WAY-352121

>  <BAR_CODE_NO> (3,421)
2562397

$$$$
WAY-352122
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
    9.8042  -13.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4042  -14.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2000   -4.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6042  -12.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9292   -6.8792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8500  -10.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9167  -15.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2750  -13.7000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.4292  -15.7042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7750   -4.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1292   -5.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5167   -9.5542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5750   -5.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2292  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9167  -15.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3000  -10.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4917   -6.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1667   -8.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6417   -9.5542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2000   -5.7750    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708   -4.1917    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042   -2.6292    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.9667   -9.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2917   -8.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5417   -2.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8917   -4.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0917   -2.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3 10  1  0  0  0  0
  4  1  1  0  0  0  0
  5 17  1  0  0  0  0
  6  4  1  0  0  0  0
  7  2  1  0  0  0  0
  8  1  1  0  0  0  0
  9  7  3  0  0  0  0
 10 13  1  0  0  0  0
 11  5  1  0  0  0  0
 12 16  1  0  0  0  0
 13 11  2  0  0  0  0
 14  2  1  0  0  0  0
 15  8  1  0  0  0  0
 16  6  1  0  0  0  0
 17 24  1  0  0  0  0
 18 23  1  0  0  0  0
 19  6  2  0  0  0  0
 20  3  1  0  0  0  0
 21  3  1  0  0  0  0
 22  3  1  0  0  0  0
 23 12  1  0  0  0  0
 24 12  1  0  0  0  0
 25 27  1  0  0  0  0
 26 11  1  0  0  0  0
 27 26  2  0  0  0  0
 15 14  2  0  0  0  0
  5 18  1  0  0  0  0
 25 10  2  0  0  0  0
M  END
>  <Mol_ID> (3,422)
3422

>  <Formula> (3,422)
C18H17F3N4OS

>  <MolWeight> (3,422)
394.4139896

>  <COMPOUND_NAME> (3,422)
WAY-352122

>  <BAR_CODE_NO> (3,422)
2562399

$$$$
WAY-352131
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   10.4292   -6.5417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8125   -5.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1667   -6.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7792   -4.5917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7625   -5.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1917   -7.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4542   -7.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9542   -6.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2250   -6.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0167   -4.9292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4375   -7.5875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2167   -8.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7292   -4.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9375   -6.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3542   -4.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9792   -7.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -4.7917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4750   -8.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1125   -3.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6917   -6.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7125   -9.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2792   -4.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9792   -3.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4625  -10.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0417   -4.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  2  2  0  0  0  0
 11  3  2  0  0  0  0
 12  7  2  0  0  0  0
 13  9  1  0  0  0  0
 14  5  1  0  0  0  0
 15  5  1  0  0  0  0
 16 18  2  0  0  0  0
 17 13  2  0  0  0  0
 18 12  1  0  0  0  0
 19 15  1  0  0  0  0
 20 14  1  0  0  0  0
 21 12  1  0  0  0  0
 22 19  1  0  0  0  0
 23 13  1  0  0  0  0
 24 21  1  0  0  0  0
 25 22  1  0  0  0  0
  4  5  1  0  0  0  0
  9 16  1  0  0  0  0
 22 20  1  0  0  0  0
M  END
>  <Mol_ID> (3,423)
3423

>  <Formula> (3,423)
C19H24N2O4

>  <MolWeight> (3,423)
344.40486

>  <COMPOUND_NAME> (3,423)
WAY-352131

>  <BAR_CODE_NO> (3,423)
2562413

$$$$
WAY-352144
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   10.2917   -4.9917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6917   -3.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0500   -4.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7000   -3.1042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6917   -3.8167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.0167   -6.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4917   -4.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8917   -3.5417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3125   -5.9917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2125   -5.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5792   -3.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2542   -5.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7042   -2.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1167   -4.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0167   -5.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3917   -3.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9417   -5.3167    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   14.7417   -5.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9792   -6.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7792   -4.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2250   -6.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0167   -4.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -5.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  5  1  0  0  0  0
  8  2  2  0  0  0  0
  9  3  2  0  0  0  0
 10  7  1  0  0  0  0
 11  7  2  0  0  0  0
 12  6  1  0  0  0  0
 13  5  1  0  0  0  0
 14 16  2  0  0  0  0
 15 10  2  0  0  0  0
 16 11  1  0  0  0  0
 17 14  1  0  0  0  0
 18 22  2  0  0  0  0
 19 12  1  0  0  0  0
 20 12  2  0  0  0  0
 21 19  2  0  0  0  0
 22 20  1  0  0  0  0
 23 18  1  0  0  0  0
  4  5  1  0  0  0  0
 21 18  1  0  0  0  0
 15 14  1  0  0  0  0
M  END
>  <Mol_ID> (3,424)
3424

>  <Formula> (3,424)
C18H17ClN2O2

>  <MolWeight> (3,424)
328.79278

>  <COMPOUND_NAME> (3,424)
WAY-352144

>  <BAR_CODE_NO> (3,424)
2562435

$$$$
WAY-352157
csChFnd80/06171916322D

 24 25  0  0  0  0  0  0  0  0999 V2000
    8.1417   -8.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5667  -10.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8417   -9.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5750   -6.1625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8625   -6.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1417    2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7292   -8.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7792  -10.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9250    0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5292   -6.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5125  -10.1750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1250   -1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5375  -13.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2417    1.1708    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3542    4.4792    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0375    3.6083    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.8167  -12.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1250   -5.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167   -3.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8042   -5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4833    0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6958   -1.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -9.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4875   -3.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  9  1  0  0  0  0
  7  1  1  0  0  0  0
  8  3  1  0  0  0  0
  9 12  2  0  0  0  0
 10  7  1  0  0  0  0
 11  7  2  0  0  0  0
 12 19  1  0  0  0  0
 13  8  2  0  0  0  0
 14  6  1  0  0  0  0
 15  6  1  0  0  0  0
 16  6  1  0  0  0  0
 17  2  1  0  0  0  0
 18 10  1  0  0  0  0
 19 18  1  0  0  0  0
 20  5  1  0  0  0  0
 21 22  2  0  0  0  0
 22 24  1  0  0  0  0
 23  8  1  0  0  0  0
 24 19  2  0  0  0  0
  5  3  2  0  0  0  0
  9 21  1  0  0  0  0
M  END
>  <Mol_ID> (3,425)
3425

>  <Formula> (3,425)
C17H17F3N2O2

>  <MolWeight> (3,425)
338.3242896

>  <COMPOUND_NAME> (3,425)
WAY-352157

>  <BAR_CODE_NO> (3,425)
2562442

$$$$
WAY-352159
csChFnd80/06171916322D

 14 15  0  0  0  0  0  0  0  0999 V2000
   10.9417   -5.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5042   -5.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9500   -6.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6667   -6.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5167   -7.9000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.6375   -4.1125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.1000   -5.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6667   -6.4375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   15.1042   -7.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4000   -6.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2667   -4.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0167   -7.6292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3042   -6.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  2  0  0  0  0
  7  3  2  0  0  0  0
  8  2  1  0  0  0  0
  9  5  1  0  0  0  0
 10  7  1  0  0  0  0
 11  6  1  0  0  0  0
 12  4  2  0  0  0  0
 13  8  1  0  0  0  0
 14  9  1  0  0  0  0
 13 11  2  0  0  0  0
 10  9  2  0  0  0  0
M  END
>  <Mol_ID> (3,426)
3426

>  <Formula> (3,426)
C9H8N2OS2

>  <MolWeight> (3,426)
224.30262

>  <COMPOUND_NAME> (3,426)
WAY-352159

>  <BAR_CODE_NO> (3,426)
2562444

$$$$
WAY-352166
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
    4.4375   -1.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6292   -1.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3792   -2.5250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9042   -1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0542   -3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7125   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7292   -1.1042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3917   -5.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5292   -0.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1375   -1.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3792   -5.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5542   -0.2917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1125   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167   -1.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4667   -0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3625   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1625    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9042   -2.2667    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.0667   -3.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8292   -0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9792    0.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6667    0.9125    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.7292   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9042   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5250    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1167   -0.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  7  4  1  0  0  0  0
  8 11  3  0  0  0  0
  9  7  1  0  0  0  0
 10  2  1  0  0  0  0
 11 16  1  0  0  0  0
 12  4  2  0  0  0  0
 13  9  2  0  0  0  0
 14 10  1  0  0  0  0
 15 10  2  0  0  0  0
 16 19  1  0  0  0  0
 17 21  2  0  0  0  0
 18 13  1  0  0  0  0
 19  5  1  0  0  0  0
 20 14  2  0  0  0  0
 21 15  1  0  0  0  0
 22 17  1  0  0  0  0
 23  9  1  0  0  0  0
 24 13  1  0  0  0  0
 25 23  2  0  0  0  0
 26 25  1  0  0  0  0
  3  5  1  0  0  0  0
 17 20  1  0  0  0  0
 24 26  2  0  0  0  0
M  END
>  <Mol_ID> (3,427)
3427

>  <Formula> (3,427)
C19H14ClFN4O

>  <MolWeight> (3,427)
368.7920632

>  <COMPOUND_NAME> (3,427)
WAY-352166

>  <BAR_CODE_NO> (3,427)
2562577

$$$$
WAY-352170
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
    9.7667   -8.1625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2125   -8.1792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5292   -6.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4167   -6.8417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7417   -5.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5417   -9.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0875   -9.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1917   -5.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8625  -10.7917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8875   -6.0500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8292   -8.1542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6417  -12.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5167   -4.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4042   -4.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2125  -12.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8292  -13.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7375   -2.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1792   -2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -13.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6125  -14.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1792  -14.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  5  1  0  0  0  0
  9  7  1  0  0  0  0
 10  3  2  0  0  0  0
 11  7  2  0  0  0  0
 12  9  1  0  0  0  0
 13  5  2  0  0  0  0
 14  8  2  0  0  0  0
 15 12  1  0  0  0  0
 16 12  2  0  0  0  0
 17 13  1  0  0  0  0
 18 17  2  0  0  0  0
 19 15  2  0  0  0  0
 20 16  1  0  0  0  0
 21 20  2  0  0  0  0
  4  8  1  0  0  0  0
 18 14  1  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <Mol_ID> (3,428)
3428

>  <Formula> (3,428)
C15H12N4O2

>  <MolWeight> (3,428)
280.28138

>  <COMPOUND_NAME> (3,428)
WAY-352170

>  <BAR_CODE_NO> (3,428)
2562447

$$$$
WAY-352174
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   11.9750   -7.2125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2292   -6.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8750   -4.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000   -1.7417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1292   -1.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9792   -5.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3917   -0.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2375   -2.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3375   -7.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0500   -0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6917   -3.9542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5250   -3.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4292   -1.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0125    0.5375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.1667   -3.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0792   -2.0292    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   11.2375   -3.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4167   -2.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0542   -3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3250   -5.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0292   -8.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3542   -8.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  8  1  0  0  0  0
  5  4  1  0  0  0  0
  6  9  2  0  0  0  0
  7  5  2  0  0  0  0
  8 18  1  0  0  0  0
  9  1  1  0  0  0  0
 10  7  1  0  0  0  0
 11  8  2  0  0  0  0
 12  5  1  0  0  0  0
 13 15  1  0  0  0  0
 14  7  1  0  0  0  0
 15 12  2  0  0  0  0
 16 13  1  0  0  0  0
 17  3  1  0  0  0  0
 18 19  1  0  0  0  0
 19 17  1  0  0  0  0
 20  6  1  0  0  0  0
 21  9  1  0  0  0  0
 22 23  1  0  0  0  0
 23 21  2  0  0  0  0
  6  3  1  0  0  0  0
 22 20  2  0  0  0  0
 13 10  2  0  0  0  0
M  END
>  <Mol_ID> (3,429)
3429

>  <Formula> (3,429)
C18H16BrClN2O

>  <MolWeight> (3,429)
391.68944

>  <COMPOUND_NAME> (3,429)
WAY-352174

>  <BAR_CODE_NO> (3,429)
2562451

$$$$
WAY-352175
csChFnd80/06171916322D

 18 19  0  0  0  0  0  0  0  0999 V2000
    7.1375   -7.1625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.7042   -6.4542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5667   -7.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8042   -8.5667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8500   -6.7292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4250   -7.5917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3917   -7.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4042   -9.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8875   -6.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1667   -8.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5792   -9.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8292  -10.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.1042   -5.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4792   -7.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4542   -5.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6542   -7.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6292   -5.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2292   -6.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  7  2  0  0  0  0
  5  1  2  0  0  0  0
  6  1  2  0  0  0  0
  7  3  1  0  0  0  0
  8 11  2  0  0  0  0
  9  2  1  0  0  0  0
 10  3  2  0  0  0  0
 11 10  1  0  0  0  0
 12  8  1  0  0  0  0
 13  2  1  0  0  0  0
 14  9  1  0  0  0  0
 15  9  2  0  0  0  0
 16 14  2  0  0  0  0
 17 15  1  0  0  0  0
 18 17  2  0  0  0  0
  8  4  1  0  0  0  0
 18 16  1  0  0  0  0
M  END
>  <Mol_ID> (3,430)
3430

>  <Formula> (3,430)
C12H11ClN2O2S

>  <MolWeight> (3,430)
282.74594

>  <COMPOUND_NAME> (3,430)
WAY-352175

>  <BAR_CODE_NO> (3,430)
2562452

$$$$
WAY-352182
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   11.7500   -9.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1542   -9.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0625   -7.8417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6917   -5.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0042   -4.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8542  -10.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5875   -4.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2667  -10.3667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0167  -10.2917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6417   -7.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7917   -6.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1042   -5.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9542   -6.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9000   -2.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1250  -11.5542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8917   -7.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7417   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8500   -5.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0500   -1.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -9.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6292   -1.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4667   -2.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7042  -11.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3000   -7.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9917  -12.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4 12  1  0  0  0  0
  5  4  1  0  0  0  0
  6  2  1  0  0  0  0
  7  5  1  0  0  0  0
  8  6  2  0  0  0  0
  9  1  2  0  0  0  0
 10  3  1  0  0  0  0
 11  3  1  0  0  0  0
 12 11  1  0  0  0  0
 13 10  1  0  0  0  0
 14  7  2  0  0  0  0
 15  6  1  0  0  0  0
 16  2  2  0  0  0  0
 17  5  2  0  0  0  0
 18  7  1  0  0  0  0
 19 17  1  0  0  0  0
 20 24  2  0  0  0  0
 21 19  2  0  0  0  0
 22 14  1  0  0  0  0
 23 15  1  0  0  0  0
 24 16  1  0  0  0  0
 25 23  1  0  0  0  0
 13  4  1  0  0  0  0
 20  8  1  0  0  0  0
 14 21  1  0  0  0  0
M  END
>  <Mol_ID> (3,431)
3431

>  <Formula> (3,431)
C20H25N3O2

>  <MolWeight> (3,431)
339.4314

>  <COMPOUND_NAME> (3,431)
WAY-352182

>  <BAR_CODE_NO> (3,431)
2562527

$$$$
WAY-352188
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
   11.1750   -6.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9667   -5.5542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3792   -5.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1042   -7.9167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4625   -7.3792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4667   -5.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5417   -4.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2042   -5.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7167   -6.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9292   -5.6417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0125   -4.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6000   -5.1167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7042   -6.9375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.7667   -8.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2917   -6.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6917   -4.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1417   -2.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -4.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9417   -2.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6375   -2.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9125   -5.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0542   -8.1667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8542   -9.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4667   -2.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1625   -4.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4500   -1.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  2  0  0  0  0
  5  4  1  0  0  0  0
  6 10  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  1  1  0  0  0  0
 10  9  1  0  0  0  0
 11  8  1  0  0  0  0
 12  3  1  0  0  0  0
 13  6  1  0  0  0  0
 14  5  1  0  0  0  0
 15 13  1  0  0  0  0
 16 11  1  0  0  0  0
 17 11  2  0  0  0  0
 18 16  2  0  0  0  0
 19 17  1  0  0  0  0
 20 14  2  0  0  0  0
 21 19  2  0  0  0  0
 22 12  2  0  0  0  0
 23  9  2  0  0  0  0
 24 14  1  0  0  0  0
 25 17  1  0  0  0  0
 26 18  1  0  0  0  0
 27 21  1  0  0  0  0
  5  3  1  0  0  0  0
 20 22  1  0  0  0  0
 15  8  2  0  0  0  0
 18 21  1  0  0  0  0
M  END
>  <Mol_ID> (3,432)
3432

>  <Formula> (3,432)
C19H18N6OS

>  <MolWeight> (3,432)
378.45082

>  <COMPOUND_NAME> (3,432)
WAY-352188

>  <BAR_CODE_NO> (3,432)
2562460

$$$$
WAY-352196
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    4.2073    3.7277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8348    6.1687    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2327    6.1628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9170    4.9326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8819    2.5150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9404    7.3560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8094    3.7550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1212    4.9774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3325    7.4847    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3737    1.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2837    2.4975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3848    8.6369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1664    1.3160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6366    8.8572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4356    9.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0795    2.4565    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9700    1.2653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0698    0.0351    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0861    2.5501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7058    5.0067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4715    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6824    2.5735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.7960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  8  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  2  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9  6  1  0  0  0  0
 10 17  1  0  0  0  0
 11  5  1  0  0  0  0
 12  6  2  0  0  0  0
 13  5  2  0  0  0  0
 14  9  1  0  0  0  0
 15 12  1  0  0  0  0
 16 10  2  0  0  0  0
 17 11  1  0  0  0  0
 18 10  1  0  0  0  0
 19  7  2  0  0  0  0
 20  8  2  0  0  0  0
 21 18  1  0  0  0  0
 22 19  1  0  0  0  0
 23 22  2  0  0  0  0
  3  2  2  0  0  0  0
 20 23  1  0  0  0  0
 15 14  2  0  0  0  0
M  END
>  <Mol_ID> (3,433)
3433

>  <Formula> (3,433)
C17H14N2O4

>  <MolWeight> (3,433)
310.30406

>  <COMPOUND_NAME> (3,433)
WAY-352196

>  <BAR_CODE_NO> (3,433)
2562477

$$$$
WAY-352199
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
    7.6667   -5.1917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4250   -6.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0875   -9.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2542  -11.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9250   -3.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9167   -9.8625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8417  -11.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1667   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7417   -8.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9292   -8.8125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4542   -2.6542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5875   -2.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8792   -4.4417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4667   -5.9417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6667  -10.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0250   -2.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8292   -6.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7500   -7.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1750  -12.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0042  -12.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8292   -7.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5917   -7.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5042   -8.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9167  -13.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3417  -13.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5000   -4.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8292   -1.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0875  -14.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7417   -2.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4167  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4167   -1.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3 15  1  0  0  0  0
  4  7  1  0  0  0  0
  5  1  1  0  0  0  0
  6  8  1  0  0  0  0
  7  3  1  0  0  0  0
  8  9  1  0  0  0  0
  9  3  2  0  0  0  0
 10 23  1  0  0  0  0
 11 16  3  0  0  0  0
 12  5  1  0  0  0  0
 13  1  2  0  0  0  0
 14  1  2  0  0  0  0
 15 10  1  0  0  0  0
 16 12  1  0  0  0  0
 17  2  1  0  0  0  0
 18  2  1  0  0  0  0
 19  7  2  0  0  0  0
 20  4  2  0  0  0  0
 21  8  2  0  0  0  0
 22 17  1  0  0  0  0
 23 18  1  0  0  0  0
 24 19  1  0  0  0  0
 25 24  2  0  0  0  0
 26  5  2  0  0  0  0
 27 12  2  0  0  0  0
 28 25  1  0  0  0  0
 29 26  1  0  0  0  0
 30 28  1  0  0  0  0
 31 29  2  0  0  0  0
 22 10  1  0  0  0  0
 27 31  1  0  0  0  0
  6  4  1  0  0  0  0
 25 20  1  0  0  0  0
M  END
>  <Mol_ID> (3,434)
3434

>  <Formula> (3,434)
C23H23N3O4S

>  <MolWeight> (3,434)
437.51142

>  <COMPOUND_NAME> (3,434)
WAY-352199

>  <BAR_CODE_NO> (3,434)
2562481

$$$$
WAY-352223
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
    5.1167   -1.8917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4000   -3.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1167   -2.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4000   -1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6875   -2.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6875   -1.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4917   -5.7542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4000   -3.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1125   -5.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8292   -6.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8250   -5.6125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.8292   -1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4042   -7.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1125   -4.3667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6500   -6.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8375   -3.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5792   -7.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4000   -0.6542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1667   -7.9292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5417   -1.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8292   -0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1667   -6.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5417   -0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2625   -1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2625   -0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9750   -3.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9750   -1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9792   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5792   -5.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542   -2.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542   -1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  6  1  0  0  0  0
  6  4  1  0  0  0  0
  7  9  2  0  0  0  0
  8  2  2  0  0  0  0
  9 14  1  0  0  0  0
 10  7  1  0  0  0  0
 11  9  1  0  0  0  0
 12  1  1  0  0  0  0
 13 10  1  0  0  0  0
 14  8  1  0  0  0  0
 15 11  1  0  0  0  0
 16  3  2  0  0  0  0
 17 13  1  0  0  0  0
 18  4  2  0  0  0  0
 19 17  2  0  0  0  0
 20 12  2  0  0  0  0
 21 12  1  0  0  0  0
 22 17  1  0  0  0  0
 23 21  2  0  0  0  0
 24 20  1  0  0  0  0
 25 23  1  0  0  0  0
 26  5  2  0  0  0  0
 27  6  2  0  0  0  0
 28 25  1  0  0  0  0
 29 22  1  0  0  0  0
 30 31  2  0  0  0  0
 31 27  1  0  0  0  0
  5  2  1  0  0  0  0
 24 25  2  0  0  0  0
 30 26  1  0  0  0  0
 10 15  2  0  0  0  0
M  END
>  <Mol_ID> (3,435)
3435

>  <Formula> (3,435)
C23H19N3O4S

>  <MolWeight> (3,435)
433.47966

>  <COMPOUND_NAME> (3,435)
WAY-352223

>  <BAR_CODE_NO> (3,435)
2562571

$$$$
WAY-352264
csChFnd80/06171916322D

 17 18  0  0  0  0  0  0  0  0999 V2000
   10.1375   -3.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1875   -4.3167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2542   -4.3167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2042   -3.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0917   -4.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167   -3.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167   -0.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1375   -0.9375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0167   -7.6917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2542    0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2042   -0.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0917   -6.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3500    0.2125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   14.0417   -3.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750   -4.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9750   -6.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -4.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  2  0  0  0  0
  7 10  2  0  0  0  0
  8  1  2  0  0  0  0
  9 12  2  0  0  0  0
 10 11  1  0  0  0  0
 11  4  2  0  0  0  0
 12  5  1  0  0  0  0
 13  7  1  0  0  0  0
 14  5  2  0  0  0  0
 15  6  1  0  0  0  0
 16 17  2  0  0  0  0
 17 14  1  0  0  0  0
  9 16  1  0  0  0  0
  7  6  1  0  0  0  0
M  END
>  <Mol_ID> (3,436)
3436

>  <Formula> (3,436)
C12H10BrN3O

>  <MolWeight> (3,436)
292.1313

>  <COMPOUND_NAME> (3,436)
WAY-352264

>  <BAR_CODE_NO> (3,436)
2562311

$$$$
WAY-352374
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
    5.0542   -3.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3417   -2.6042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3417   -4.5667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1875   -2.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2667   -3.5917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.1875   -4.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0875   -4.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5667   -5.7542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6917   -5.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8667   -4.6500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.7167   -1.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3542   -5.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6917   -3.6042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -5.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7292   -6.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7625   -4.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9250   -5.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5167   -6.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5417   -4.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1875   -4.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1625   -6.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292   -2.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292   -4.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9000   -0.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3792   -6.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4000   -4.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2542   -5.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7167   -0.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2750    0.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792   -2.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792   -4.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7 10  1  0  0  0  0
  8 12  1  0  0  0  0
  9  7  1  0  0  0  0
 10  5  1  0  0  0  0
 11  2  1  0  0  0  0
 12 16  2  0  0  0  0
 13  7  2  0  0  0  0
 14 25  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17  9  1  0  0  0  0
 18 17  1  0  0  0  0
 19 17  2  0  0  0  0
 20  8  1  0  0  0  0
 21  8  1  0  0  0  0
 22  4  2  0  0  0  0
 23  6  2  0  0  0  0
 24 11  1  0  0  0  0
 25 21  1  0  0  0  0
 26 20  1  0  0  0  0
 27 10  1  0  0  0  0
 28 24  1  0  0  0  0
 29 24  1  0  0  0  0
 30 22  1  0  0  0  0
 31 23  1  0  0  0  0
  6  4  1  0  0  0  0
 31 30  2  0  0  0  0
 15 12  1  0  0  0  0
 14 26  1  0  0  0  0
M  END
>  <Mol_ID> (3,437)
3437

>  <Formula> (3,437)
C24H30N4O2S

>  <MolWeight> (3,437)
438.5856

>  <COMPOUND_NAME> (3,437)
WAY-352374

>  <BAR_CODE_NO> (3,437)
2562661

$$$$
WAY-352516
csChFnd80/06171916322D

 34 38  0  0  0  0  0  0  0  0999 V2000
    1.8375    0.8625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9292   -1.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8167   -2.9292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4625   -4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9167    2.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4500   -1.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583   -2.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6000   -8.7042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6292   -4.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3875   -3.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4042   -8.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7042   -6.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8167    4.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1167   -1.0625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.3375   -6.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4583    2.7583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1917   -2.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2875  -10.6042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5042   -1.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9042    6.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0792    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6208   -1.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7417   -3.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583    4.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4458   -4.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8792   -6.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1750    4.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0875    6.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8167    8.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7083   -2.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9292   -3.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6208   -4.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -4.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5 11  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  7  1  0  0  0  0
  9 12  1  0  0  0  0
 10  5  1  0  0  0  0
 11 18  1  0  0  0  0
 12 16  1  0  0  0  0
 13 10  1  0  0  0  0
 14  6  2  0  0  0  0
 15  2  1  0  0  0  0
 16  5  1  0  0  0  0
 17  3  2  0  0  0  0
 18 15  1  0  0  0  0
 19 12  2  0  0  0  0
 20 11  2  0  0  0  0
 21 14  1  0  0  0  0
 22  6  1  0  0  0  0
 23  7  2  0  0  0  0
 24 10  2  0  0  0  0
 25 14  1  0  0  0  0
 26  8  2  0  0  0  0
 27 13  2  0  0  0  0
 28 22  2  0  0  0  0
 29 28  1  0  0  0  0
 30 21  1  0  0  0  0
 31 23  1  0  0  0  0
 32 24  1  0  0  0  0
 33 31  2  0  0  0  0
 34 32  2  0  0  0  0
  8  4  1  0  0  0  0
 21 29  2  0  0  0  0
 26 33  1  0  0  0  0
  9 13  1  0  0  0  0
 34 27  1  0  0  0  0
M  END
>  <Mol_ID> (3,438)
3438

>  <Formula> (3,438)
C26H22N4O3S

>  <MolWeight> (3,438)
470.54288

>  <COMPOUND_NAME> (3,438)
WAY-352516

>  <BAR_CODE_NO> (3,438)
2562781

$$$$
WAY-352571
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -5.1125   -1.6167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9000    4.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3417    4.0917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -14.4875    4.0917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8292    2.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.9792    2.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2958   -1.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1292   -0.0125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9000    6.7542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5958    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7792    0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6250   -3.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8417   -1.9792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8125    0.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0000    4.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0000    6.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9042   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417   -0.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9917    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2333   -2.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458   -2.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0958    2.3208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0542   -0.5625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4667   -0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3792   -2.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5917   -1.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1958    3.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7542    1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5 11  1  0  0  0  0
  6  5  2  0  0  0  0
  7  1  1  0  0  0  0
  8  1  1  0  0  0  0
  9  2  1  0  0  0  0
 10  7  1  0  0  0  0
 11 19  1  0  0  0  0
 12  1  2  0  0  0  0
 13  1  2  0  0  0  0
 14 10  2  0  0  0  0
 15  4  1  0  0  0  0
 16 15  2  0  0  0  0
 17  8  1  0  0  0  0
 18 21  2  0  0  0  0
 19 17  2  0  0  0  0
 20  7  2  0  0  0  0
 21 20  1  0  0  0  0
 22 14  1  0  0  0  0
 23 18  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 17  1  0  0  0  0
 27 22  1  0  0  0  0
 28 23  1  0  0  0  0
 14 18  1  0  0  0  0
 11 24  2  0  0  0  0
  4  2  1  0  0  0  0
 16  9  1  0  0  0  0
M  END
>  <Mol_ID> (3,439)
3439

>  <Formula> (3,439)
C19H17N3O4S2

>  <MolWeight> (3,439)
415.48598

>  <COMPOUND_NAME> (3,439)
WAY-352571

>  <BAR_CODE_NO> (3,439)
2562907

$$$$
WAY-352717
csChFnd80/06171916322D

 20 21  0  0  0  0  0  0  0  0999 V2000
    0.7774    0.2703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6084   -0.2056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7774    1.2393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0640   -0.2159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4463    0.2703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6084    1.7324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8985    0.2703    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4463    1.2393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7640   -0.2297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2808    1.7220    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7605   -1.2297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6226    0.2703    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4153    2.2531    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6877    0.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8498    2.7531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6226   -1.7297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5364   -1.3263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7295   -2.7159    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2019   -2.0676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6985   -2.9297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  2  0  0  0  0
 10 13  1  0  0  0  0
 10 14  2  0  0  0  0
 10 15  2  0  0  0  0
 11 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
  6  8  2  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (3,440)
3440

>  <Formula> (3,440)
C13H14N2O3S2

>  <MolWeight> (3,440)
310.39186

>  <COMPOUND_NAME> (3,440)
WAY-352717

>  <BAR_CODE_NO> (3,440)
2563049

$$$$
WAY-352753
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.4310    1.6788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0172    2.4892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7379    0.7271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5690    1.6788    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6103    3.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0138    2.3823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0690    0.1409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8793    0.7271    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2000    4.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6000    3.1926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0690   -0.8591    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1931    4.1064    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9345   -1.3591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9345   -2.3591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8034   -2.8591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0690   -2.8591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8034   -3.8591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6690   -2.3591    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0690   -3.8591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9345   -4.3591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  2  0  0  0  0
 17 20  2  0  0  0  0
  7  8  2  0  0  0  0
 10 12  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (3,441)
3441

>  <Formula> (3,441)
C14H10ClN3OS

>  <MolWeight> (3,441)
303.7667

>  <COMPOUND_NAME> (3,441)
WAY-352753

>  <BAR_CODE_NO> (3,441)
2563103

$$$$
WAY-352853
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -1.2154    0.0919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9981   -0.1598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5464   -0.3908    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9567    0.8712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1740   -0.9632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6119    0.3885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1191    0.0919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1326    0.8712    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4430    1.5402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9602   -1.2184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3981    0.1437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8984   -0.1667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5740   -0.6632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5122    0.3781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2950    0.1230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9122    0.6678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4639   -0.6839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6950    0.4092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2501   -0.9391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8639   -0.3908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
 10 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
  7  8  1  0  0  0  0
 11 13  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (3,442)
3442

>  <Formula> (3,442)
C17H16N2S

>  <MolWeight> (3,442)
280.38734

>  <COMPOUND_NAME> (3,442)
WAY-352853

>  <BAR_CODE_NO> (3,442)
2563178

$$$$
WAY-352881
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -0.0250   -2.9125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.0667   -5.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3625   -5.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7167   -2.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8167   -7.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4917   -6.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4667   -4.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333   -1.1667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208   -4.6542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0500   -6.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1292   -3.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4917   -7.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7708   -2.9167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5250   -7.2917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4792   -4.3375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4542   -4.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9292   -5.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5542   -1.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5917   -4.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2750   -1.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3125   -4.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1542   -2.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7667   -4.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8917   -2.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3 15  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  2  1  0  0  0  0
  7  2  1  0  0  0  0
  8  1  2  0  0  0  0
  9  1  2  0  0  0  0
 10  6  1  0  0  0  0
 11  7  1  0  0  0  0
 12  5  1  0  0  0  0
 13  1  1  0  0  0  0
 14  3  2  0  0  0  0
 15 24  1  0  0  0  0
 16 10  1  0  0  0  0
 17 11  1  0  0  0  0
 18 11  1  0  0  0  0
 19  4  1  0  0  0  0
 20  4  2  0  0  0  0
 21 19  2  0  0  0  0
 22 20  1  0  0  0  0
 23 22  2  0  0  0  0
 24 25  1  0  0  0  0
 25 23  1  0  0  0  0
 21 23  1  0  0  0  0
 12 18  1  0  0  0  0
 10 17  1  0  0  0  0
 12 16  1  0  0  0  0
M  END
>  <Mol_ID> (3,443)
3443

>  <Formula> (3,443)
C19H26N2O3S

>  <MolWeight> (3,443)
362.48634

>  <COMPOUND_NAME> (3,443)
WAY-352881

>  <BAR_CODE_NO> (3,443)
2563208

$$$$
WAY-352901
csChFnd80/06171916322D

 34 38  0  0  0  0  0  0  0  0999 V2000
    7.1375   -9.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4917  -10.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2500   -9.2667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9417  -10.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4417   -7.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8792   -7.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8750  -14.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7667   -8.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3000  -11.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5750   -9.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1625   -5.3292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1000    0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3292  -14.6542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1875  -12.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6542    0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6167    1.5250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5500  -13.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1292    1.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8750    2.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3292   -1.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1917   -6.5750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6500  -16.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1167   -2.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542   -4.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4417   -1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5167   -6.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2167   -8.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9875  -13.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4042   -6.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7292   -5.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6542  -13.3167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6750   -2.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8875  -11.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6542  -10.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  1  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  7 13  1  0  0  0  0
  8 10  1  0  0  0  0
  9  2  2  0  0  0  0
 10  1  1  0  0  0  0
 11 29  1  0  0  0  0
 12 20  1  0  0  0  0
 13 17  1  0  0  0  0
 14  4  2  0  0  0  0
 15 25  1  0  0  0  0
 16 12  1  0  0  0  0
 17 28  2  0  0  0  0
 18 15  1  0  0  0  0
 19 16  1  0  0  0  0
 20 23  2  0  0  0  0
 21  5  2  0  0  0  0
 22  7  2  0  0  0  0
 23 24  1  0  0  0  0
 24 11  1  0  0  0  0
 25 32  2  0  0  0  0
 26  8  1  0  0  0  0
 27  8  1  0  0  0  0
 28 14  1  0  0  0  0
 29 27  1  0  0  0  0
 30 26  1  0  0  0  0
 31  7  1  0  0  0  0
 32 23  1  0  0  0  0
 33 31  1  0  0  0  0
 34 33  1  0  0  0  0
  2  3  1  0  0  0  0
 11 30  1  0  0  0  0
  9 17  1  0  0  0  0
 12 15  2  0  0  0  0
 19 18  1  0  0  0  0
M  END
>  <Mol_ID> (3,444)
3444

>  <Formula> (3,444)
C25H27N3O6

>  <MolWeight> (3,444)
465.49838

>  <COMPOUND_NAME> (3,444)
WAY-352901

>  <BAR_CODE_NO> (3,444)
2563237

$$$$
WAY-352974
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
    8.9750   -3.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6542   -4.0917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6417   -2.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1167   -2.4625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8417   -5.1792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.3250   -2.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3042   -4.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4750   -2.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4542   -1.6542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.3750   -4.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8417   -5.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9542   -1.1792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1667   -4.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -2.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9042   -5.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8292   -4.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9000   -7.0375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.3750   -2.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4500   -4.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9042   -1.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4500   -2.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  2  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  5  1  0  0  0  0
  8  4  1  0  0  0  0
  9  6  1  0  0  0  0
 10 11  1  0  0  0  0
 11  7  1  0  0  0  0
 12  3  2  0  0  0  0
 13  6  2  0  0  0  0
 14  9  1  0  0  0  0
 15 10  2  0  0  0  0
 16 13  1  0  0  0  0
 17 15  1  0  0  0  0
 18 10  1  0  0  0  0
 19 15  1  0  0  0  0
 20 18  2  0  0  0  0
 21 20  1  0  0  0  0
  8  7  2  0  0  0  0
 16 14  2  0  0  0  0
 19 21  2  0  0  0  0
M  END
>  <Mol_ID> (3,445)
3445

>  <Formula> (3,445)
C15H11ClN2OS2

>  <MolWeight> (3,445)
334.84364

>  <COMPOUND_NAME> (3,445)
WAY-352974

>  <BAR_CODE_NO> (3,445)
2563353

$$$$
WAY-353297
csChFnd80/06171916322D

 31 35  0  0  0  0  0  0  0  0999 V2000
   12.4625   -7.0542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.5375   -7.0542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6375   -4.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0042   -3.3542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7167   -4.2292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0042   -5.0917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.9792   -3.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2500   -5.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9292   -6.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1750   -7.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9792   -4.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1667   -6.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7417   -8.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3250   -7.3417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3167   -5.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8542   -6.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2000   -7.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7042   -6.0917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0500   -3.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1917   -6.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4792   -5.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0500   -5.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9542   -8.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8750   -4.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9417   -4.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1167   -4.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1167   -3.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0500   -2.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7625   -9.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7750   -9.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  5  1  0  0  0  0
  4  3  2  0  0  0  0
  5  8  1  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8 15  1  0  0  0  0
  9  1  1  0  0  0  0
 10  2  1  0  0  0  0
 11  6  1  0  0  0  0
 12  2  1  0  0  0  0
 13  1  2  0  0  0  0
 14  1  2  0  0  0  0
 15 16  1  0  0  0  0
 16  9  2  0  0  0  0
 17 10  2  0  0  0  0
 18  8  2  0  0  0  0
 19  7  1  0  0  0  0
 20 12  1  0  0  0  0
 21  9  1  0  0  0  0
 22 11  1  0  0  0  0
 23 10  1  0  0  0  0
 24 25  1  0  0  0  0
 25 21  2  0  0  0  0
 26 22  2  0  0  0  0
 27 19  2  0  0  0  0
 28 17  1  0  0  0  0
 29 19  1  0  0  0  0
 30 23  2  0  0  0  0
 31 30  1  0  0  0  0
 20 17  1  0  0  0  0
 15 24  2  0  0  0  0
 28 31  2  0  0  0  0
 11  7  2  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (3,446)
3446

>  <Formula> (3,446)
C23H19N3O3S2

>  <MolWeight> (3,446)
449.54526

>  <COMPOUND_NAME> (3,446)
WAY-353297

>  <BAR_CODE_NO> (3,446)
2563811

$$$$
WAY-353328
csChFnd80/06171916322D

 23 24  0  0  0  0  0  0  0  0999 V2000
   11.7750  -10.6000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.7042  -10.5917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2000   -9.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1542   -9.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8375  -10.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7667  -11.6542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7792   -9.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6375   -8.7625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5750   -8.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6292  -10.5792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0417   -7.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3667   -9.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3542  -11.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9875   -7.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9292  -10.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4167   -9.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4000  -11.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4417   -6.9417    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -10.6167    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.1875  -11.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9917   -9.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0667   -9.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4542   -8.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  2  0  0  0  0
  7  1  2  0  0  0  0
  8  4  1  0  0  0  0
  9  8  1  0  0  0  0
 10  4  2  0  0  0  0
 11  9  1  0  0  0  0
 12  5  1  0  0  0  0
 13  5  2  0  0  0  0
 14 11  2  0  0  0  0
 15 17  2  0  0  0  0
 16 12  2  0  0  0  0
 17 13  1  0  0  0  0
 18 14  1  0  0  0  0
 19 15  1  0  0  0  0
 20  2  1  0  0  0  0
 21 22  1  0  0  0  0
 22  9  2  0  0  0  0
 23 21  2  0  0  0  0
 16 15  1  0  0  0  0
 23 14  1  0  0  0  0
M  END
>  <Mol_ID> (3,447)
3447

>  <Formula> (3,447)
C15H14ClFN2O3S

>  <MolWeight> (3,447)
356.7996632

>  <COMPOUND_NAME> (3,447)
WAY-353328

>  <BAR_CODE_NO> (3,447)
2563651

$$$$
WAY-352987
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    9.6417   -7.6917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3542   -7.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0000   -6.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9167   -6.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4375   -8.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9292   -5.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7417   -4.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7167   -8.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0792   -7.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4167   -5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7250   -6.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9542   -9.9125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4875   -9.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1792   -7.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5417   -4.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5500   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2042   -8.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3542   -4.3167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4375   -7.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6917   -9.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4250   -8.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  6  1  0  0  0  0
  8  5  1  0  0  0  0
  9  2  2  0  0  0  0
 10  3  2  0  0  0  0
 11  4  1  0  0  0  0
 12  5  2  0  0  0  0
 13  8  2  0  0  0  0
 14  8  1  0  0  0  0
 15 11  2  0  0  0  0
 16  7  2  0  0  0  0
 17 19  1  0  0  0  0
 18 15  1  0  0  0  0
 19 14  2  0  0  0  0
 20 13  1  0  0  0  0
 21 17  1  0  0  0  0
 22 21  1  0  0  0  0
  4  6  2  0  0  0  0
 20 17  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (3,448)
3448

>  <Formula> (3,448)
C16H12N2O4

>  <MolWeight> (3,448)
296.27748

>  <COMPOUND_NAME> (3,448)
WAY-352987

>  <BAR_CODE_NO> (3,448)
2564279

$$$$
WAY-352990
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -1.6091   -0.1018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3884   -0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8056   -0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6091    0.8154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3884   -1.5087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2677   -0.2777    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0056   -0.1018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8056    1.2637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2677   -1.7812    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7953   -1.0398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8151   -0.5708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0056    0.8154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7125   -1.0398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5944   -0.1018    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3771    0.3671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1254    0.6982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0633   -0.9018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1771   -0.0812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3771    1.2844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9771    0.3671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1771    1.7533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9771    1.2844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  7 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  2  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (3,449)
3449

>  <Formula> (3,449)
C16H14N2O2S2

>  <MolWeight> (3,449)
330.42456

>  <COMPOUND_NAME> (3,449)
WAY-352990

>  <BAR_CODE_NO> (3,449)
2564539

$$$$
WAY-353156
csChFnd80/06171916322D

 22 25  0  0  0  0  0  0  0  0999 V2000
   12.8250   -7.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4917   -7.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7417   -6.0167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4917   -8.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9667   -7.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0542   -5.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1750   -7.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3417   -5.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7792   -8.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4125   -6.1125    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.9125   -8.3167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6625   -5.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4167   -6.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0417   -6.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3292   -5.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2542   -3.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1750   -2.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5875   -3.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5042   -2.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4292   -1.6750    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.8250   -7.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  5  1  0  0  0  0
  8  6  1  0  0  0  0
  9  4  1  0  0  0  0
 10  3  1  0  0  0  0
 11  2  2  0  0  0  0
 12 10  1  0  0  0  0
 13  7  1  0  0  0  0
 14  8  1  0  0  0  0
 15  8  1  0  0  0  0
 16 12  2  0  0  0  0
 17 12  1  0  0  0  0
 18 20  1  0  0  0  0
 19 16  1  0  0  0  0
 20 17  2  0  0  0  0
 21 18  1  0  0  0  0
 22 10  1  0  0  0  0
  9 15  1  0  0  0  0
  7 14  1  0  0  0  0
  9 13  1  0  0  0  0
 19 18  2  0  0  0  0
M  END
>  <Mol_ID> (3,450)
3450

>  <Formula> (3,450)
C19H24FNO

>  <MolWeight> (3,450)
301.3983632

>  <COMPOUND_NAME> (3,450)
WAY-353156

>  <BAR_CODE_NO> (3,450)
2563534

$$$$
WAY-353211
csChFnd80/06171916322D

 19 20  0  0  0  0  0  0  0  0999 V2000
    5.1042   -3.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6500   -5.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1917   -5.5542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1625   -2.3542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9292   -3.9417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.5417   -7.1792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5917   -4.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8250   -5.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3917   -7.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3417  -10.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2292  -11.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2792   -8.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2917  -13.5542    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4167   -3.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167   -2.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3625   -5.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -10.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0542  -12.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1000   -8.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  8  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  2  2  0  0  0  0
  8  5  1  0  0  0  0
  9  6  1  0  0  0  0
 10 12  2  0  0  0  0
 11 10  1  0  0  0  0
 12  9  1  0  0  0  0
 13 11  1  0  0  0  0
 14 15  1  0  0  0  0
 15  4  2  0  0  0  0
 16  3  1  0  0  0  0
 17 19  2  0  0  0  0
 18 17  1  0  0  0  0
 19 12  1  0  0  0  0
 14 16  2  0  0  0  0
 18 11  2  0  0  0  0
M  END
>  <Mol_ID> (3,451)
3451

>  <Formula> (3,451)
C13H12ClN3OS

>  <MolWeight> (3,451)
293.77188

>  <COMPOUND_NAME> (3,451)
WAY-353211

>  <BAR_CODE_NO> (3,451)
2563597

$$$$
WAY-353477
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    6.6292   -4.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8667   -4.2667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.9750   -2.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5792   -5.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2167   -9.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2667   -7.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3792   -7.4625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042   -2.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6667   -7.4792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4375   -5.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3000  -10.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -5.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2292   -5.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8417   -1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0875   -9.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3417   -4.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1875   -5.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3125   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2542  -12.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4250  -10.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9417    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1792    0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0417   -5.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 10  1  0  0  0  0
  8  3  2  0  0  0  0
  9  4  2  0  0  0  0
 10  4  1  0  0  0  0
 11  5  1  0  0  0  0
 12  2  1  0  0  0  0
 13 12  1  0  0  0  0
 14  3  1  0  0  0  0
 15  5  2  0  0  0  0
 16 13  1  0  0  0  0
 17  6  2  0  0  0  0
 18  8  1  0  0  0  0
 19 11  1  0  0  0  0
 20 11  1  0  0  0  0
 21 14  2  0  0  0  0
 22 24  2  0  0  0  0
 23 21  1  0  0  0  0
 24 17  1  0  0  0  0
 16  8  1  0  0  0  0
 18 23  2  0  0  0  0
 22 15  1  0  0  0  0
M  END
>  <Mol_ID> (3,452)
3452

>  <Formula> (3,452)
C21H25NO2

>  <MolWeight> (3,452)
323.4287

>  <COMPOUND_NAME> (3,452)
WAY-353477

>  <BAR_CODE_NO> (3,452)
2563918

$$$$
WAY-353536
csChFnd80/06171916322D

 21 22  0  0  0  0  0  0  0  0999 V2000
    7.9500  -13.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7250  -13.4542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9417  -15.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2250  -14.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4875  -12.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708   -4.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3917  -12.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000  -10.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5417  -10.7042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542   -4.6667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9500   -9.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2458   -6.1750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9375  -12.1750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8167   -7.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2250   -9.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2458   -3.1792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2292   -6.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542   -7.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9417   -6.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9917  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7542  -10.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  2  0  0  0  0
  3  4  1  0  0  0  0
  4  1  2  0  0  0  0
  5  1  1  0  0  0  0
  6 10  1  0  0  0  0
  7  1  1  0  0  0  0
  8  9  1  0  0  0  0
  9  7  1  0  0  0  0
 10 17  1  0  0  0  0
 11  8  1  0  0  0  0
 12  6  2  0  0  0  0
 13  8  2  0  0  0  0
 14 11  1  0  0  0  0
 15 11  2  0  0  0  0
 16  6  1  0  0  0  0
 17 18  2  0  0  0  0
 18 15  1  0  0  0  0
 19 14  2  0  0  0  0
 20  4  1  0  0  0  0
 21  5  1  0  0  0  0
  3  2  1  0  0  0  0
 19 17  1  0  0  0  0
M  END
>  <Mol_ID> (3,453)
3453

>  <Formula> (3,453)
C14H15N3O4

>  <MolWeight> (3,453)
289.2866

>  <COMPOUND_NAME> (3,453)
WAY-353536

>  <BAR_CODE_NO> (3,453)
2563910

$$$$
WAY-353594
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   10.0542   -3.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3000   -4.4792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3750   -3.3792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0542   -4.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0542   -4.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2750   -2.3667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.0417   -2.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3625   -4.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9917   -4.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4167   -5.6667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0417   -6.8625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.0417   -5.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1042   -6.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0000   -3.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8292   -4.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8542   -6.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3917   -6.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3625   -5.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7542   -5.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3250   -3.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -4.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  4  1  0  0  0  0
  9  5  1  0  0  0  0
 10  4  2  0  0  0  0
 11 13  2  0  0  0  0
 12  8  2  0  0  0  0
 13  9  1  0  0  0  0
 14  8  1  0  0  0  0
 15  9  2  0  0  0  0
 16 19  2  0  0  0  0
 17 12  1  0  0  0  0
 18 12  1  0  0  0  0
 19 15  1  0  0  0  0
 20 14  2  0  0  0  0
 21 20  1  0  0  0  0
  5  7  2  0  0  0  0
 21 18  2  0  0  0  0
 11 16  1  0  0  0  0
M  END
>  <Mol_ID> (3,454)
3454

>  <Formula> (3,454)
C16H13N3OS

>  <MolWeight> (3,454)
295.35892

>  <COMPOUND_NAME> (3,454)
WAY-353594

>  <BAR_CODE_NO> (3,454)
2564037

$$$$
WAY-353647
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    7.7292   -4.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3667   -5.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4875   -4.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3542   -5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3417   -2.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5250   -6.1042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.6292   -5.1375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6125   -2.9292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2667   -4.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2542   -6.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5375   -4.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000   -1.8542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1792   -5.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2667   -7.5167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5292   -3.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4542   -5.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1542   -5.6167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0875   -6.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3542   -6.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.3292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3667   -4.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0875   -4.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9917   -5.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  8  1  0  0  0  0
 10  4  1  0  0  0  0
 11  9  1  0  0  0  0
 12  5  2  0  0  0  0
 13 11  2  0  0  0  0
 14 10  2  0  0  0  0
 15  3  1  0  0  0  0
 16 13  1  0  0  0  0
 17 10  1  0  0  0  0
 18 16  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 22  2  0  0  0  0
 22 16  1  0  0  0  0
 23 21  1  0  0  0  0
  4  6  1  0  0  0  0
  7  9  2  0  0  0  0
 19 23  2  0  0  0  0
M  END
>  <Mol_ID> (3,455)
3455

>  <Formula> (3,455)
C16H12N2O4S

>  <MolWeight> (3,455)
328.34248

>  <COMPOUND_NAME> (3,455)
WAY-353647

>  <BAR_CODE_NO> (3,455)
2564049

$$$$
WAY-353792
csChFnd80/06171916322D

 23 24  0  0  0  0  0  0  0  0999 V2000
    9.3750   -6.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7917   -5.1625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0042   -4.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5792   -6.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9042   -4.5667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5792   -5.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7500   -7.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2125   -5.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1667   -7.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2167   -6.3417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0042   -6.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3750   -7.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4292   -5.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2250   -3.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1875   -3.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7917   -7.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9125   -3.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1542   -8.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5917   -2.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6250   -2.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8250   -1.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  6  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  2  0  0  0  0
  8  4  2  0  0  0  0
  9  4  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  9  2  0  0  0  0
 13  8  1  0  0  0  0
 14  3  1  0  0  0  0
 15  3  1  0  0  0  0
 16 10  1  0  0  0  0
 17  5  1  0  0  0  0
 18  5  1  0  0  0  0
 19 16  1  0  0  0  0
 20 16  1  0  0  0  0
 21 15  1  0  0  0  0
 22 14  1  0  0  0  0
 23 21  1  0  0  0  0
 13 11  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (3,456)
3456

>  <Formula> (3,456)
C19H30N2O2

>  <MolWeight> (3,456)
318.4537

>  <COMPOUND_NAME> (3,456)
WAY-353792

>  <BAR_CODE_NO> (3,456)
2564145

$$$$
WAY-353802
csChFnd80/06171916322D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -0.8655   -1.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8655   -0.6667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7310   -2.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7310   -3.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8655   -0.6667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8655   -3.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8655    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8655   -4.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8655    2.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7310    2.8333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7310    3.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8655    4.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
  7 10  2  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (3,457)
3457

>  <Formula> (3,457)
C14H15N3O

>  <MolWeight> (3,457)
241.2884

>  <COMPOUND_NAME> (3,457)
WAY-353802

>  <BAR_CODE_NO> (3,457)
2564320

$$$$
WAY-353890
csChFnd80/06171916322D

 23 26  0  0  0  0  0  0  0  0999 V2000
    4.8667   -2.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6500   -3.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4292   -2.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2250   -3.6542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6542   -1.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5750   -2.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7375   -2.0125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0875   -0.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5167   -1.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2292   -4.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9667   -3.4667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000   -2.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6125   -4.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8417   -4.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2375   -5.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8542   -5.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6167   -5.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2417   -6.4917    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.0167   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8667   -1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3667    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7917   -0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  2  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  6  1  0  0  0  0
  9  5  1  0  0  0  0
 10  7  1  0  0  0  0
 11  4  1  0  0  0  0
 12  2  1  0  0  0  0
 13  6  2  0  0  0  0
 14 11  2  0  0  0  0
 15 11  1  0  0  0  0
 16 17  1  0  0  0  0
 17 15  2  0  0  0  0
 18 14  1  0  0  0  0
 19 16  1  0  0  0  0
 20  9  1  0  0  0  0
 21 10  1  0  0  0  0
 22 20  2  0  0  0  0
 23 21  2  0  0  0  0
  8  4  1  0  0  0  0
  9 10  2  0  0  0  0
 23 22  1  0  0  0  0
 18 16  2  0  0  0  0
M  END
>  <Mol_ID> (3,458)
3458

>  <Formula> (3,458)
C17H13FN4O

>  <MolWeight> (3,458)
308.3097232

>  <COMPOUND_NAME> (3,458)
WAY-353890

>  <BAR_CODE_NO> (3,458)
2564132

$$$$
WAY-353997
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
   14.0625   -7.2917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4042   -6.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6792   -4.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3375   -5.2292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.3417   -7.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4292   -8.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1250   -6.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0250   -5.0792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000   -3.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4625   -5.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6167   -5.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1792   -5.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9667  -10.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0875   -9.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3500   -9.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2792   -6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2375   -4.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5625   -6.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5167   -4.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3250  -11.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4125   -4.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9500  -12.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0417  -11.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3042  -13.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3792  -12.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0167  -13.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4 11  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  2  2  0  0  0  0
  9  3  2  0  0  0  0
 10  7  1  0  0  0  0
 11 18  1  0  0  0  0
 12 10  1  0  0  0  0
 13 16  1  0  0  0  0
 14  5  1  0  0  0  0
 15  6  1  0  0  0  0
 16 15  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 12  2  0  0  0  0
 20 12  1  0  0  0  0
 21 13  1  0  0  0  0
 22  3  1  0  0  0  0
 23 21  1  0  0  0  0
 24 21  2  0  0  0  0
 25 23  2  0  0  0  0
 26 24  1  0  0  0  0
 27 26  2  0  0  0  0
 14 16  1  0  0  0  0
 17 11  2  0  0  0  0
 25 27  1  0  0  0  0
M  END
>  <Mol_ID> (3,459)
3459

>  <Formula> (3,459)
C22H26N2O3

>  <MolWeight> (3,459)
366.45344

>  <COMPOUND_NAME> (3,459)
WAY-353997

>  <BAR_CODE_NO> (3,459)
2564343

$$$$
WAY-354008
csChFnd80/06171916322D

 20 21  0  0  0  0  0  0  0  0999 V2000
   11.4875   -7.7750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.2042   -9.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7542   -6.4292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2250   -6.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4042  -10.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7292   -9.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4875   -5.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4542  -10.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1292  -11.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1417   -8.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8292   -7.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6542  -11.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2792   -3.7042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5667   -5.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9375   -4.9875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8292   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8625  -10.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5292   -7.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3250  -13.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -10.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  2  2  0  0  0  0
  7  4  1  0  0  0  0
  8  6  1  0  0  0  0
  9  5  2  0  0  0  0
 10  1  2  0  0  0  0
 11  1  2  0  0  0  0
 12  8  2  0  0  0  0
 13 16  1  0  0  0  0
 14  3  1  0  0  0  0
 15  7  2  0  0  0  0
 16 14  1  0  0  0  0
 17  5  1  0  0  0  0
 18  6  1  0  0  0  0
 19  9  1  0  0  0  0
 20  8  1  0  0  0  0
 13  7  1  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <Mol_ID> (3,460)
3460

>  <Formula> (3,460)
C14H20N2O3S

>  <MolWeight> (3,460)
296.3852

>  <COMPOUND_NAME> (3,460)
WAY-354008

>  <BAR_CODE_NO> (3,460)
2564354

$$$$
WAY-354015
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
    5.4542   -3.2917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.9417   -2.6292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4542   -1.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6750   -2.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6750   -3.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1917   -3.6750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0750   -4.0250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7125   -1.1667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5167   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2750    1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7667   -0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9625   -1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5250    2.1500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.4667    1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8292    0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2167    0.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5750   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9625   -3.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2417   -2.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2417   -3.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  2  0  0  0  0
  7  1  2  0  0  0  0
  8  3  1  0  0  0  0
  9  8  1  0  0  0  0
 10 15  1  0  0  0  0
 11  9  1  0  0  0  0
 12  4  2  0  0  0  0
 13 10  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 11  2  0  0  0  0
 17 11  1  0  0  0  0
 18  5  2  0  0  0  0
 19 20  2  0  0  0  0
 20 18  1  0  0  0  0
  3  4  1  0  0  0  0
 12 19  1  0  0  0  0
 10 14  2  0  0  0  0
M  END
>  <Mol_ID> (3,461)
3461

>  <Formula> (3,461)
C14H11ClN2O2S

>  <MolWeight> (3,461)
306.76734

>  <COMPOUND_NAME> (3,461)
WAY-354015

>  <BAR_CODE_NO> (3,461)
2564463

$$$$
WAY-354064
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   10.2542   -5.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5042   -4.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3167   -4.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5292   -5.0542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3167   -5.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5250   -6.0667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.1542   -6.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2167   -3.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2292   -6.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1292   -4.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4292   -6.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1292   -5.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0667   -7.2917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5042   -7.2667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2167   -2.5042    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.0292   -6.3000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.3417   -7.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0875   -5.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3667   -5.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8  3  1  0  0  0  0
  9  5  1  0  0  0  0
 10  8  2  0  0  0  0
 11  7  1  0  0  0  0
 12  9  2  0  0  0  0
 13 11  1  0  0  0  0
 14  7  2  0  0  0  0
 15  8  1  0  0  0  0
 16 12  1  0  0  0  0
 17 13  2  0  0  0  0
 18 11  2  0  0  0  0
 19 20  2  0  0  0  0
 20 18  1  0  0  0  0
  5  3  2  0  0  0  0
 12 10  1  0  0  0  0
 19 17  1  0  0  0  0
M  END
>  <Mol_ID> (3,462)
3462

>  <Formula> (3,462)
C13H7F2N3OS

>  <MolWeight> (3,462)
291.2759864

>  <COMPOUND_NAME> (3,462)
WAY-354064

>  <BAR_CODE_NO> (3,462)
2564461

$$$$
WAY-354189
csChFnd80/06171916322D

 24 25  0  0  0  0  0  0  0  0999 V2000
    8.7250  -11.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6292  -13.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7125   -9.9625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042   -4.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6875  -14.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6542  -12.0917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.6167   -8.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1375  -15.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4042   -6.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792   -4.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2917  -14.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -6.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7083   -2.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3917  -16.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6042   -6.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3667   -8.2625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4917   -6.4542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0292  -12.4417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5417   -8.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542   -8.2667    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.3542   -1.0292    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.8500   -4.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8083   -2.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8250   -6.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4 10  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  2  1  0  0  0  0
  9 17  1  0  0  0  0
 10  9  1  0  0  0  0
 11  6  1  0  0  0  0
 12  4  2  0  0  0  0
 13  4  1  0  0  0  0
 14  5  2  0  0  0  0
 15  7  2  0  0  0  0
 16  9  2  0  0  0  0
 17 19  1  0  0  0  0
 18  5  1  0  0  0  0
 19  7  1  0  0  0  0
 20 12  1  0  0  0  0
 21 13  1  0  0  0  0
 22 23  1  0  0  0  0
 23 13  2  0  0  0  0
 24 12  1  0  0  0  0
  8 11  2  0  0  0  0
 24 22  2  0  0  0  0
M  END
>  <Mol_ID> (3,463)
3463

>  <Formula> (3,463)
C15H12Cl2N2O4S

>  <MolWeight> (3,463)
387.23778

>  <COMPOUND_NAME> (3,463)
WAY-354189

>  <BAR_CODE_NO> (3,463)
2564594

$$$$
WAY-354504
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
    1.5504    0.1812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3953   -0.4223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5573    1.2122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7021   -0.4119    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2953   -1.4499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3401    0.0053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4573    1.7260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6642    1.7329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1358    0.1915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1366   -2.0533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1780   -0.5947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4608    2.7639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6711    2.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9806   -0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0780   -1.6257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5677    3.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8220    0.1984    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9875   -1.4395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7185   -0.3188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7185   -1.3533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6151    0.1984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6151   -1.8740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8220   -1.8740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5116   -0.3188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6151    1.2294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5116   -1.3533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 12 16  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 21 25  1  0  0  0  0
 22 26  1  0  0  0  0
 11 15  2  0  0  0  0
 13 16  2  0  0  0  0
 24 26  2  0  0  0  0
M  END
>  <Mol_ID> (3,464)
3464

>  <Formula> (3,464)
C23H24N2O

>  <MolWeight> (3,464)
344.44946

>  <COMPOUND_NAME> (3,464)
WAY-354504

>  <BAR_CODE_NO> (3,464)
2564670

$$$$
WAY-354565
csChFnd80/06171916322D

 31 33  0  0  0  0  0  0  0  0999 V2000
   10.3000  -11.4042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.0750  -10.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1167  -12.7792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7167   -1.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5125   -0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2792   -8.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0750  -10.1667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1667  -12.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4792   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5125   -3.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2792   -5.8750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6792  -10.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0750   -7.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0917   -3.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7167    0.9958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2667   -3.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4667   -8.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0917   -0.3667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8792   -4.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6625   -7.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1375   -1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4542  -12.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3167  -14.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5167  -11.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7125   -4.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3417   -3.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6625  -13.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7000  -15.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1292   -4.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1667  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5250  -15.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4 10  1  0  0  0  0
  5  4  1  0  0  0  0
  6  2  2  0  0  0  0
  7  1  2  0  0  0  0
  8  1  2  0  0  0  0
  9 11  1  0  0  0  0
 10 14  1  0  0  0  0
 11 13  1  0  0  0  0
 12  2  1  0  0  0  0
 13  6  1  0  0  0  0
 14 19  1  0  0  0  0
 15  5  2  0  0  0  0
 16  9  2  0  0  0  0
 17 12  2  0  0  0  0
 18  5  1  0  0  0  0
 19  9  1  0  0  0  0
 20 17  1  0  0  0  0
 21  4  2  0  0  0  0
 22  3  1  0  0  0  0
 23  3  1  0  0  0  0
 24 12  1  0  0  0  0
 25 10  2  0  0  0  0
 26 29  2  0  0  0  0
 27 22  1  0  0  0  0
 28 23  1  0  0  0  0
 29 25  1  0  0  0  0
 30 28  1  0  0  0  0
 31 27  1  0  0  0  0
 30 31  1  0  0  0  0
 20 13  2  0  0  0  0
 21 26  1  0  0  0  0
M  END
>  <Mol_ID> (3,465)
3465

>  <Formula> (3,465)
C22H27N3O5S

>  <MolWeight> (3,465)
445.53188

>  <COMPOUND_NAME> (3,465)
WAY-354565

>  <BAR_CODE_NO> (3,465)
2564761

$$$$
WAY-354608
csChFnd80/06171916322D

 15 16  0  0  0  0  0  0  0  0999 V2000
    9.7500  -10.6250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.1250   -9.5625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3750  -11.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8250  -16.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8875   -9.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6750  -11.2417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8292  -10.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2042  -14.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8292   -8.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8250  -10.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6125  -11.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7542  -12.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5917  -13.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3542  -13.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2167  -12.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  8  3  0  0  0  0
  5  2  1  0  0  0  0
  6  1  2  0  0  0  0
  7  1  2  0  0  0  0
  8 13  1  0  0  0  0
  9  5  1  0  0  0  0
 10  5  1  0  0  0  0
 11  3  2  0  0  0  0
 12  3  1  0  0  0  0
 13 14  1  0  0  0  0
 14 12  2  0  0  0  0
 15 11  1  0  0  0  0
 15 13  2  0  0  0  0
 10  9  1  0  0  0  0
M  END
>  <Mol_ID> (3,466)
3466

>  <Formula> (3,466)
C10H10N2O2S

>  <MolWeight> (3,466)
222.2636

>  <COMPOUND_NAME> (3,466)
WAY-354608

>  <BAR_CODE_NO> (3,466)
2564815

$$$$
WAY-354633
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
    9.7167   -7.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1792   -5.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7792   -4.6375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.5167   -9.6667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4667   -8.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7625   -8.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0167   -7.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4292   -5.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2792  -11.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2042   -9.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8125  -12.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0917   -6.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7792   -4.9917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -10.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9167   -8.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8667  -12.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7667   -5.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9292  -13.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0792   -3.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6792   -2.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9792   -1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500   -8.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9792  -14.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6667   -6.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5875   -0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5042  -14.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  2  0  0  0  0
  9  4  1  0  0  0  0
 10  4  1  0  0  0  0
 11  9  2  0  0  0  0
 12  5  2  0  0  0  0
 13  2  1  0  0  0  0
 14 10  1  0  0  0  0
 15  7  1  0  0  0  0
 16  9  1  0  0  0  0
 17  8  1  0  0  0  0
 18 11  1  0  0  0  0
 19 13  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 15  2  0  0  0  0
 23 16  2  0  0  0  0
 24 22  1  0  0  0  0
 25 21  1  0  0  0  0
 26 23  1  0  0  0  0
  8  3  1  0  0  0  0
 24 17  2  0  0  0  0
 14 11  1  0  0  0  0
 26 18  2  0  0  0  0
M  END
>  <Mol_ID> (3,467)
3467

>  <Formula> (3,467)
C21H24N4O

>  <MolWeight> (3,467)
348.44146

>  <COMPOUND_NAME> (3,467)
WAY-354633

>  <BAR_CODE_NO> (3,467)
2564857

$$$$
WAY-354635
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
    4.4167   -2.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7042   -2.8542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1375   -2.8542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5667   -3.6875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9917   -2.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4167   -1.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7042   -1.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9917   -1.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2792   -4.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8500   -2.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1375   -3.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5667   -2.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8500   -4.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9917   -3.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2792   -4.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7042   -4.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7042   -4.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9917   -5.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4292   -5.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7042   -0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2792   -2.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2792   -1.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4250   -6.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5625   -2.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5625   -1.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4 13  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  4  1  0  0  0  0
 10  3  1  0  0  0  0
 11  3  1  0  0  0  0
 12 10  1  0  0  0  0
 13 11  1  0  0  0  0
 14  9  2  0  0  0  0
 15  9  1  0  0  0  0
 16 18  1  0  0  0  0
 17 14  1  0  0  0  0
 18 15  2  0  0  0  0
 19 16  1  0  0  0  0
 20  7  1  0  0  0  0
 21  5  1  0  0  0  0
 22  8  1  0  0  0  0
 23 19  1  0  0  0  0
 24 21  2  0  0  0  0
 25 22  2  0  0  0  0
  5  8  2  0  0  0  0
 12  4  1  0  0  0  0
 24 25  1  0  0  0  0
 17 16  2  0  0  0  0
M  END
>  <Mol_ID> (3,468)
3468

>  <Formula> (3,468)
C21H23N3O

>  <MolWeight> (3,468)
333.42682

>  <COMPOUND_NAME> (3,468)
WAY-354635

>  <BAR_CODE_NO> (3,468)
2564963

$$$$
WAY-354639
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    8.7250   -4.2792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6792   -4.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6792   -5.7167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3667   -5.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7167   -6.0542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8292   -3.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1167   -6.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1625   -8.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4667   -5.1917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.5542   -9.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6542   -7.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.0292   -7.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7167   -9.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6792   -5.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8167   -4.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9917   -2.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0042   -6.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1917   -8.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1250   -2.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1417   -2.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9667   -3.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2542   -1.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2375   -2.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  2  1  0  0  0  0
  7 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9  4  1  0  0  0  0
 10  8  1  0  0  0  0
 11  7  1  0  0  0  0
 12  8  2  0  0  0  0
 13 10  1  0  0  0  0
 14 12  1  0  0  0  0
 15  7  2  0  0  0  0
 16  6  2  0  0  0  0
 17  6  1  0  0  0  0
 18  9  1  0  0  0  0
 19 11  1  0  0  0  0
 20 21  1  0  0  0  0
 21 17  2  0  0  0  0
 22 16  1  0  0  0  0
 23 20  1  0  0  0  0
 24 23  1  0  0  0  0
  3  5  1  0  0  0  0
 20 22  2  0  0  0  0
 13 14  2  0  0  0  0
M  END
>  <Mol_ID> (3,469)
3469

>  <Formula> (3,469)
C16H16N4O3S

>  <MolWeight> (3,469)
344.38824

>  <COMPOUND_NAME> (3,469)
WAY-354639

>  <BAR_CODE_NO> (3,469)
2564842

$$$$
WAY-354764
csChFnd80/06171916322D

 24 25  0  0  0  0  0  0  0  0999 V2000
   -2.5609    0.4821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8942    0.1113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8942   -0.6762    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2276    0.1113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5609    1.2780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5609    2.0446    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2067    0.5071    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1433    0.5071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5609   -1.0762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2276   -0.6762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8391    0.1321    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1433    1.2988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5276    0.1113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4933    0.5071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1599    0.1321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4933   -0.6554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1599   -0.6554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8391    0.5071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8391   -1.0554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4933    0.1321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1849   -1.0762    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8776    0.5238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5609   -1.8387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8724   -0.6762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  2  0  0  0  0
  5  1  1  0  0  0  0
  6  5  3  0  0  0  0
  7  2  1  0  0  0  0
  8 13  1  0  0  0  0
  9 10  2  0  0  0  0
 10  4  1  0  0  0  0
 11  8  1  0  0  0  0
 12  8  2  0  0  0  0
 13  7  1  0  0  0  0
 14 11  1  0  0  0  0
 15 14  1  0  0  0  0
 16 20  1  0  0  0  0
 17 15  2  0  0  0  0
 18 15  1  0  0  0  0
 19 17  1  0  0  0  0
 20 18  2  0  0  0  0
 21 16  1  0  0  0  0
 22  4  1  0  0  0  0
 23  9  1  0  0  0  0
 24 21  1  0  0  0  0
  3  9  1  0  0  0  0
 19 16  2  0  0  0  0
M  END
>  <Mol_ID> (3,470)
3470

>  <Formula> (3,470)
C18H19N3O2S

>  <MolWeight> (3,470)
341.42736

>  <COMPOUND_NAME> (3,470)
WAY-354764

>  <BAR_CODE_NO> (3,470)
2564982

$$$$
GI-558134
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -1.8784   -0.2894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5439   -0.6721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8784    0.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0577   -0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5439   -1.6342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3681   -0.2031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0577    1.1279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2336   -0.2894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3681   -2.1307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1612   -0.6721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2336    0.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1612   -1.6342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3733    1.0451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1250    0.7175    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3457    1.6831    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1457    1.1279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9699    0.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7492    1.1141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9699   -0.2480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5285    0.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7492   -0.6859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5285   -0.2480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  9 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
  8 11  2  0  0  0  0
 10 12  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (3,471)
3471

>  <Formula> (3,471)
C20H17NO

>  <MolWeight> (3,471)
287.35508

>  <COMPOUND_NAME> (3,471)
GI-558134

>  <BAR_CODE_NO> (3,471)
2566439

$$$$
GI-567965
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -2.0632    1.5372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8661    0.7935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0154    0.3401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1811    3.4916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2286    0.9931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4262    1.5372    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8933   -0.6122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5300    0.8570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3963    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7431    1.5372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7866    0.7663    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -4.4574    2.7524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7135    0.3401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7567    3.4916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7866   -0.8253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1379    1.4465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1379   -1.5372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1379    2.9928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2896    0.7663    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4257   -0.7935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1379   -3.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0451    3.7818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7135   -1.5372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4257   -3.7818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7135   -3.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  2  0  0  0  0
 17 20  2  0  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  2  0  0  0  0
 23 25  2  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (3,472)
3472

>  <Formula> (3,472)
C21H27NO3

>  <MolWeight> (3,472)
341.44398

>  <COMPOUND_NAME> (3,472)
GI-567965

>  <BAR_CODE_NO> (3,472)
2569068

$$$$
WAY-109187
csChFnd80/06171916322D

 17 19  0  0  0  0  0  0  0  0999 V2000
    0.6450   -0.3484    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0590   -0.9484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6450   -1.5484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0690   -0.5554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8880    0.3836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0690   -1.3054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3840    0.9266    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8090   -0.9484    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6120    2.0696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7230   -0.1804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3480    0.7946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6090    1.6406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7230   -1.6984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8550    1.3586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1200    2.2196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3800   -0.5554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3800   -1.3054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 17 13  2  0  0  0  0
  9 15  1  0  0  0  0
  3  6  1  0  0  0  0
 17 16  1  0  0  0  0
 10 16  2  0  0  0  0
 15 12  1  0  0  0  0
 14 11  1  0  0  0  0
 13  6  1  0  0  0  0
 12  7  1  0  0  0  0
 11  7  1  0  0  0  0
 10  4  1  0  0  0  0
  9 14  1  0  0  0  0
  8  2  2  0  0  0  0
  7  5  1  0  0  0  0
  6  4  2  0  0  0  0
  5  1  1  0  0  0  0
  4  1  1  0  0  0  0
  3  2  1  0  0  0  0
  2  1  1  0  0  0  0
M  END
>  <Mol_ID> (3,473)
3473

>  <Formula> (3,473)
C12H14N2O2S

>  <MolWeight> (3,473)
250.31676

>  <COMPOUND_NAME> (3,473)
WAY-109187

>  <BAR_CODE_NO> (3,473)
2570623

$$$$
WAY-158374
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -7.0131    2.0267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0131    0.6275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8004   -0.0721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5878    0.6275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5878    2.0267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8004    2.7264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3751   -0.0721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1625    0.6275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9498   -0.0721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9498   -1.4713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2629   -2.1709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4755   -1.4713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4755   -0.0721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2629    0.6275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6882    0.6275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9008   -0.0721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0408   -1.4713    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.3933   -1.7512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0930   -0.5385    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1601    0.4876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4866    1.8868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9997   -3.0571    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  1  6  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
  9 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 16 20  1  0  0  0  0
 20 21  2  0  0  0  0
 18 22  2  0  0  0  0
M  END
>  <Mol_ID> (3,474)
3474

>  <Formula> (3,474)
C17H13NO2S2

>  <MolWeight> (3,474)
327.42062

>  <COMPOUND_NAME> (3,474)
WAY-158374

>  <BAR_CODE_NO> (3,474)
2567633

$$$$
WAY-267777
csChFnd80/06171916322D

 35 38  0  0  0  0  0  0  0  0999 V2000
   -0.7210   -0.6473    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2418    0.0193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7335    0.6902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5043   -0.3932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5043    0.4318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7293   -1.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4707    1.6235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3293    1.4068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2127   -0.8015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3085   -2.0557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2168    0.8443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9457    1.4943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0540    1.0443    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0665   -1.6848    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2332    1.9068    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6790    2.4235    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9415    0.6693    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0960   -2.8515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1043   -1.8432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8498    1.2610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4373    1.6860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5832    0.0193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9293    0.4277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9293   -0.3932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4752   -3.2182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6877   -2.4265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6793   -3.4307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0668   -3.8015    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8498    2.2693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0582    2.0527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2248    0.8902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4290    0.6777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6460    0.8443    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6582    1.9068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3668    0.4318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  1  1  0  0  0  0
  7  8  1  0  0  0  0
  8  3  1  0  0  0  0
  9  4  1  0  0  0  0
 10  6  1  0  0  0  0
 11  5  1  0  0  0  0
 12 15  1  0  0  0  0
 13  7  1  0  0  0  0
 14  6  2  0  0  0  0
 15 21  1  0  0  0  0
 16  7  2  0  0  0  0
 17 12  2  0  0  0  0
 18 10  1  0  0  0  0
 19 10  2  0  0  0  0
 20 13  1  0  0  0  0
 21 31  2  0  0  0  0
 22  2  1  0  0  0  0
 23 24  1  0  0  0  0
 24  9  2  0  0  0  0
 25 27  1  0  0  0  0
 26 19  1  0  0  0  0
 27 18  2  0  0  0  0
 28 25  1  0  0  0  0
 29 30  2  0  0  0  0
 30 20  1  0  0  0  0
 31 32  1  0  0  0  0
 32 20  2  0  0  0  0
 33 23  1  0  0  0  0
 34 12  1  0  0  0  0
 35 33  1  0  0  0  0
  5  3  1  0  0  0  0
 25 26  2  0  0  0  0
 23 11  2  0  0  0  0
 29 21  1  0  0  0  0
M  END
>  <Mol_ID> (3,475)
3475

>  <Formula> (3,475)
C27H24ClN3O4

>  <MolWeight> (3,475)
489.95016

>  <COMPOUND_NAME> (3,475)
WAY-267777

>  <BAR_CODE_NO> (3,475)
2567189

$$$$
WAY-342527
csChFnd80/06171916322D

 17 19  0  0  0  0  0  0  0  0999 V2000
    2.3073   -2.2730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3073   -0.9419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1625   -2.9351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5694   -2.6868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1625   -0.2764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5694   -0.5351    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0039   -2.2730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3418   -1.5937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0039   -0.9419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1547   -0.2695    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1513    1.0546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3064    1.7236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0064    1.7236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3099    3.0546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5754    1.3098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5754    3.4581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3478    2.4029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  2  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (3,476)
3476

>  <Formula> (3,476)
C12H9NO4

>  <MolWeight> (3,476)
231.20416

>  <COMPOUND_NAME> (3,476)
WAY-342527

>  <BAR_CODE_NO> (3,476)
2568486

$$$$
WAY-344286
csChFnd80/06171916322D

 18 19  0  0  0  0  0  0  0  0999 V2000
    1.1417    1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792    0.5125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7417    0.4208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083    0.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417    1.6708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083    1.6375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1250   -0.2375    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.5708    0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167    1.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9125    1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208   -0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8667   -0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8917   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8792    1.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000    1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6083   -0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2667    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9458    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  2  0  0  0  0
  6  4  2  0  0  0  0
  7  3  1  0  0  0  0
  8  4  1  0  0  0  0
  9  3  1  0  0  0  0
 10  8  1  0  0  0  0
 11  8  2  0  0  0  0
 12  7  1  0  0  0  0
 13  7  1  0  0  0  0
 14  9  1  0  0  0  0
 15 10  2  0  0  0  0
 16 11  1  0  0  0  0
 17 14  1  0  0  0  0
 18 16  2  0  0  0  0
 13 17  1  0  0  0  0
 15 18  1  0  0  0  0
M  END
>  <Mol_ID> (3,477)
3477

>  <Formula> (3,477)
C14H18N2OS

>  <MolWeight> (3,477)
262.37052

>  <COMPOUND_NAME> (3,477)
WAY-344286

>  <BAR_CODE_NO> (3,477)
2571177

$$$$
WAY-346114
csChFnd80/06171916322D

 18 19  0  0  0  0  0  0  0  0999 V2000
    2.4417   -5.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417   -6.6375    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.7292   -5.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0250   -5.8125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0250   -6.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292   -7.0417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1542   -7.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1625   -5.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1542   -7.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042   -7.0500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.1667   -4.5750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292   -4.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417   -8.2792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8667   -6.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8750   -5.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8667   -8.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792   -7.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5875   -7.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  2  1  0  0  0  0
  7  2  1  0  0  0  0
  8  1  1  0  0  0  0
  9  7  2  0  0  0  0
 10  5  1  0  0  0  0
 11  8  2  0  0  0  0
 12  3  1  0  0  0  0
 13  9  1  0  0  0  0
 14  7  1  0  0  0  0
 15  8  1  0  0  0  0
 16  9  1  0  0  0  0
 17 14  2  0  0  0  0
 18 17  1  0  0  0  0
  6  5  1  0  0  0  0
 18 16  2  0  0  0  0
M  END
>  <Mol_ID> (3,478)
3478

>  <Formula> (3,478)
C13H14N2O2S

>  <MolWeight> (3,478)
262.32746

>  <COMPOUND_NAME> (3,478)
WAY-346114

>  <BAR_CODE_NO> (3,478)
2570159

$$$$
WAY-347757
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
    1.8101   -0.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5067   -1.1483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9205   -0.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2205    0.8655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4688   -1.7483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4826   -1.5483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3101   -1.0552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4274    0.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7205    1.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3588   -0.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8481    1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3899   -1.2483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1795    0.2517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2588   -0.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0899    0.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2795   -0.9483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9726    1.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0381    0.9793    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.1519   -0.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9968    0.8241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  6 10  1  0  0  0  0
  8 11  2  0  0  0  0
 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
  5  7  2  0  0  0  0
  9 11  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (3,479)
3479

>  <Formula> (3,479)
C14H11ClN4O

>  <MolWeight> (3,479)
286.71634

>  <COMPOUND_NAME> (3,479)
WAY-347757

>  <BAR_CODE_NO> (3,479)
2569316

$$$$
WAY-352835
csChFnd80/06171916322D

 21 24  0  0  0  0  0  0  0  0999 V2000
   -0.3893   -1.0025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6273   -1.0439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0204   -2.2301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417   -0.1404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0307   -2.2094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4479   -0.1059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0273   -2.9473    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1865   -2.4990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0796    1.0389    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6521   -0.4094    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2376   -2.4577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6548   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0210   -1.5818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9210    1.9423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0445   -1.5335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1279    1.6561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5727    3.1113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9693    2.5561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4796    0.4734    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4141    4.0113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6141    3.7251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
  5  7  1  0  0  0  0
 10 13  1  0  0  0  0
 12 15  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (3,480)
3480

>  <Formula> (3,480)
C16H15N3OS

>  <MolWeight> (3,480)
297.3748

>  <COMPOUND_NAME> (3,480)
WAY-352835

>  <BAR_CODE_NO> (3,480)
2565622

$$$$
WAY-354810
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -2.2484   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9054   -0.4350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5914   -0.4350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9054   -1.1850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5914   -1.1850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2484   -1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8984   -1.4100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4484   -0.8280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8984   -0.2100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3016   -0.8280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6766   -1.4850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6766   -0.1920    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4266   -0.1920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8016    0.4650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8016    1.9650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1656    1.5900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4586    1.5900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1656    0.8400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4586    0.8400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8016    2.7150    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
 15 20  1  0  0  0  0
 14 19  1  0  0  0  0
 18 14  2  0  0  0  0
 19 17  2  0  0  0  0
 18 16  1  0  0  0  0
 17 15  1  0  0  0  0
 15 16  2  0  0  0  0
 13 14  1  0  0  0  0
 12 13  1  0  0  0  0
 10 12  1  0  0  0  0
 10 11  2  0  0  0  0
  8 10  1  0  0  0  0
  3  9  1  0  0  0  0
  8  9  2  0  0  0  0
  8  7  1  0  0  0  0
  7  5  1  0  0  0  0
  6  5  1  0  0  0  0
  4  6  2  0  0  0  0
  5  3  2  0  0  0  0
  4  2  1  0  0  0  0
  3  1  1  0  0  0  0
  1  2  2  0  0  0  0
M  END
>  <Mol_ID> (3,481)
3481

>  <Formula> (3,481)
C16H13ClN2O

>  <MolWeight> (3,481)
284.74022

>  <COMPOUND_NAME> (3,481)
WAY-354810

>  <BAR_CODE_NO> (3,481)
2565077

$$$$
WAY-354831
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    9.5792   -9.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9292  -10.9125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1917  -10.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6000   -9.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0792   -8.4500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8042  -10.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0792   -8.4500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5750   -7.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3417   -8.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5792   -7.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0792   -6.7250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7542  -10.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2167  -10.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0792   -6.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0792   -8.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2875   -9.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792   -7.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4917  -10.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0792   -6.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0792   -8.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0250   -8.4167    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.5792   -7.5917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  2  0  0  0  0
  6  4  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
  9  4  2  0  0  0  0
 10  8  1  0  0  0  0
 11  8  2  0  0  0  0
 12  6  2  0  0  0  0
 13  3  1  0  0  0  0
 14 10  1  0  0  0  0
 15 10  2  0  0  0  0
 16  9  1  0  0  0  0
 17 20  2  0  0  0  0
 18 16  2  0  0  0  0
 19 14  2  0  0  0  0
 20 15  1  0  0  0  0
 21 16  1  0  0  0  0
 22 17  1  0  0  0  0
  6  2  1  0  0  0  0
 12 18  1  0  0  0  0
 19 17  1  0  0  0  0
M  END
>  <Mol_ID> (3,482)
3482

>  <Formula> (3,482)
C15H10FN3O3

>  <MolWeight> (3,482)
299.2566032

>  <COMPOUND_NAME> (3,482)
WAY-354831

>  <BAR_CODE_NO> (3,482)
2565101

$$$$
WAY-354869
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
    3.4500    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1542   -0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6500   -1.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9500    0.8708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2292    0.3583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4292   -1.0167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2167   -1.8042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.7250   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4542   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4167   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2375    1.6208    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.7417    2.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0167    1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0292    2.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9625    2.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5042    1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2875    1.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4750    2.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5375    3.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542    3.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  1  2  0  0  0  0
  6  8  2  0  0  0  0
  7  3  1  0  0  0  0
  8  5  1  0  0  0  0
  9 10  2  0  0  0  0
 10  2  1  0  0  0  0
 11  4  1  0  0  0  0
 12 11  1  0  0  0  0
 13 11  1  0  0  0  0
 14 12  2  0  0  0  0
 15 12  1  0  0  0  0
 16 13  1  0  0  0  0
 17 16  1  0  0  0  0
 18 15  2  0  0  0  0
 19 14  1  0  0  0  0
 20 18  1  0  0  0  0
  3  6  1  0  0  0  0
  9  7  1  0  0  0  0
 20 19  2  0  0  0  0
M  END
>  <Mol_ID> (3,483)
3483

>  <Formula> (3,483)
C16H17N3S

>  <MolWeight> (3,483)
283.39128

>  <COMPOUND_NAME> (3,483)
WAY-354869

>  <BAR_CODE_NO> (3,483)
2565129

$$$$
WAY-354890
csChFnd80/06171916322D

 22 25  0  0  0  0  0  0  0  0999 V2000
    9.8167   -9.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2875   -8.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8125   -9.1042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.9542   -7.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8917   -8.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2750   -8.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3167  -10.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7792   -9.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7542   -7.5917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3042  -10.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7875   -7.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3000   -5.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2917   -6.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8292   -6.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7042   -7.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8000   -4.2917    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.2542   -5.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8292   -5.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7542   -5.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3250   -6.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6417   -6.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5875   -6.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8 10  1  0  0  0  0
  9  6  1  0  0  0  0
 10  7  2  0  0  0  0
 11  9  1  0  0  0  0
 12 18  1  0  0  0  0
 13 11  1  0  0  0  0
 14  4  1  0  0  0  0
 15  5  1  0  0  0  0
 16 12  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 13  2  0  0  0  0
 20 13  1  0  0  0  0
 21 14  1  0  0  0  0
 22 15  1  0  0  0  0
  4  5  2  0  0  0  0
  8  6  2  0  0  0  0
 21 22  1  0  0  0  0
 12 17  2  0  0  0  0
M  END
>  <Mol_ID> (3,484)
3484

>  <Formula> (3,484)
C17H16FN3S

>  <MolWeight> (3,484)
313.3924432

>  <COMPOUND_NAME> (3,484)
WAY-354890

>  <BAR_CODE_NO> (3,484)
2565134

$$$$
WAY-355000
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
    8.5417   -4.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9042   -3.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8667   -4.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6292   -4.6417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.0500   -6.5792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.1667   -5.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9167   -5.5042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.8792   -5.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0125   -3.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2625   -5.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.0500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1000   -7.1125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0125   -3.8375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6167   -6.5167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5167   -5.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7917   -6.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8167   -4.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4292   -5.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5792   -7.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9000   -4.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8750   -6.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1500   -3.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1625   -2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3000   -2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3042   -1.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5 15  1  0  0  0  0
  6  4  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9  3  1  0  0  0  0
 10  6  1  0  0  0  0
 11  5  2  0  0  0  0
 12  5  2  0  0  0  0
 13  9  1  0  0  0  0
 14  6  2  0  0  0  0
 15 18  1  0  0  0  0
 16 10  2  0  0  0  0
 17 10  1  0  0  0  0
 18 20  1  0  0  0  0
 19  5  1  0  0  0  0
 20 17  2  0  0  0  0
 21 16  1  0  0  0  0
 22 13  2  0  0  0  0
 23  9  2  0  0  0  0
 24 25  2  0  0  0  0
 25 23  1  0  0  0  0
  3  8  2  0  0  0  0
 18 21  2  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <Mol_ID> (3,485)
3485

>  <Formula> (3,485)
C17H15N3O3S2

>  <MolWeight> (3,485)
373.4493

>  <COMPOUND_NAME> (3,485)
WAY-355000

>  <BAR_CODE_NO> (3,485)
2565226

$$$$
WAY-355757
csChFnd80/06171916322D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -0.5958    2.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8500    1.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2583   -1.0125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2917   -1.6250    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.0833    3.2375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417   -2.4042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.3000    1.1708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1875    2.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5958    3.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6583    1.6125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1875    3.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8042   -0.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917   -3.0167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.5583    0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542   -2.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7708   -2.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000   -2.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3375   -3.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  6  1  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6 15  1  0  0  0  0
  7  4  1  0  0  0  0
  8  2  1  0  0  0  0
  9  1  2  0  0  0  0
 10  5  1  0  0  0  0
 11  2  2  0  0  0  0
 12  9  1  0  0  0  0
 13  6  2  0  0  0  0
 14  7  1  0  0  0  0
 15  8  1  0  0  0  0
 16  4  1  0  0  0  0
 17 16  1  0  0  0  0
 18  7  1  0  0  0  0
 19 17  1  0  0  0  0
 20 14  1  0  0  0  0
 12 10  2  0  0  0  0
 14 19  1  0  0  0  0
M  END
>  <Mol_ID> (3,486)
3486

>  <Formula> (3,486)
C15H21NO3S

>  <MolWeight> (3,486)
295.39714

>  <COMPOUND_NAME> (3,486)
WAY-355757

>  <BAR_CODE_NO> (3,486)
2567765

$$$$
WAY-355772
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
    1.5417   -1.8500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0542   -1.1792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0375   -2.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2625   -1.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2625   -2.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3125   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9708    3.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7750    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2750   -1.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542   -2.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292    1.0083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1333    3.4958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0375    0.1083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958   -2.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1250    4.1542    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7958    3.1583    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458    2.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917    1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5958    2.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667   -3.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583   -1.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083    1.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542    2.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8500    2.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042    3.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708   -1.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417   -3.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458   -3.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1583   -2.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7 12  1  0  0  0  0
  8  6  1  0  0  0  0
  9  1  2  0  0  0  0
 10  1  2  0  0  0  0
 11  8  1  0  0  0  0
 12 19  1  0  0  0  0
 13  8  2  0  0  0  0
 14  5  1  0  0  0  0
 15  7  1  0  0  0  0
 16  7  1  0  0  0  0
 17  7  1  0  0  0  0
 18 11  1  0  0  0  0
 19 25  2  0  0  0  0
 20  3  2  0  0  0  0
 21  4  1  0  0  0  0
 22 18  1  0  0  0  0
 23 18  2  0  0  0  0
 24 22  2  0  0  0  0
 25 23  1  0  0  0  0
 26 21  2  0  0  0  0
 27 20  1  0  0  0  0
 28 27  2  0  0  0  0
 29 14  2  0  0  0  0
  4  5  2  0  0  0  0
 14 28  1  0  0  0  0
 26 29  1  0  0  0  0
 19 24  1  0  0  0  0
M  END
>  <Mol_ID> (3,487)
3487

>  <Formula> (3,487)
C19H13F3N2O4S

>  <MolWeight> (3,487)
422.3777296

>  <COMPOUND_NAME> (3,487)
WAY-355772

>  <BAR_CODE_NO> (3,487)
2567031

$$$$
WAY-356501
csChFnd80/06171916322D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -0.9208   -0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208    0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5125   -0.3125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5125    0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000    0.9250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000   -0.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7000    0.7708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7000   -0.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1833    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2292    0.9250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000   -1.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2292   -0.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9417    2.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9417    2.9875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2292    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6542    1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0375   -1.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0083    0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3125   -1.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9792   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8583   -1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3458   -0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5292   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167   -1.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  6  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  1  1  0  0  0  0
  9  8  2  0  0  0  0
 10  4  1  0  0  0  0
 11  6  2  0  0  0  0
 12  3  1  0  0  0  0
 13 15  1  0  0  0  0
 14 13  2  0  0  0  0
 15 10  1  0  0  0  0
 16 13  1  0  0  0  0
 17  8  1  0  0  0  0
 18  9  1  0  0  0  0
 19 12  1  0  0  0  0
 20 12  1  0  0  0  0
 21 17  1  0  0  0  0
 22 21  1  0  0  0  0
 23 20  1  0  0  0  0
 24 19  1  0  0  0  0
  7  9  1  0  0  0  0
  4  5  2  0  0  0  0
 18 22  1  0  0  0  0
 24 23  1  0  0  0  0
M  END
>  <Mol_ID> (3,488)
3488

>  <Formula> (3,488)
C17H21N3O2S2

>  <MolWeight> (3,488)
363.49754

>  <COMPOUND_NAME> (3,488)
WAY-356501

>  <BAR_CODE_NO> (3,488)
2567912

$$$$
WAY-356547
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -1.2500    0.6875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7375    1.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7375    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5208    0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5208    1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0500   -0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2250   -0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4833    2.1458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4833   -0.7667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4625   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4625   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2875   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2875   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7000   -0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8125   -1.4542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4250    0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8125   -0.0292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7000   -2.1667    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7000    0.6875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.2333   -0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2333    1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0125   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9583    1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9583    0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  7  1  0  0  0  0
  7 17  1  0  0  0  0
  8  2  2  0  0  0  0
  9  3  2  0  0  0  0
 10  6  2  0  0  0  0
 11  6  1  0  0  0  0
 12 10  1  0  0  0  0
 13 11  2  0  0  0  0
 14 13  1  0  0  0  0
 15  7  2  0  0  0  0
 16  1  1  0  0  0  0
 17 22  1  0  0  0  0
 18 13  1  0  0  0  0
 19 12  1  0  0  0  0
 20  4  1  0  0  0  0
 21  5  1  0  0  0  0
 22 16  1  0  0  0  0
 23 21  2  0  0  0  0
 24 20  2  0  0  0  0
  5  4  2  0  0  0  0
 23 24  1  0  0  0  0
 14 12  2  0  0  0  0
M  END
>  <Mol_ID> (3,489)
3489

>  <Formula> (3,489)
C17H11Cl2NO4

>  <MolWeight> (3,489)
364.17954

>  <COMPOUND_NAME> (3,489)
WAY-356547

>  <BAR_CODE_NO> (3,489)
2567121

$$$$
WAY-356551
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -1.0958    0.7208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5750    1.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5750    0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3583    0.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3583    1.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3792   -0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042   -0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208    2.1708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208   -0.7375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6167   -1.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667   -1.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4417   -1.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8542   -2.1417    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0750   -0.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0750    1.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1417    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6167    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4417    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8542   -0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7875    1.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7875    0.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6 13  1  0  0  0  0
  7  6  1  0  0  0  0
  8  2  2  0  0  0  0
  9  3  2  0  0  0  0
 10  7  1  0  0  0  0
 11  6  2  0  0  0  0
 12  1  1  0  0  0  0
 13 18  1  0  0  0  0
 14 10  2  0  0  0  0
 15 14  1  0  0  0  0
 16  4  1  0  0  0  0
 17  5  1  0  0  0  0
 18 12  1  0  0  0  0
 19  7  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 17  2  0  0  0  0
 23 16  2  0  0  0  0
  5  4  2  0  0  0  0
 22 23  1  0  0  0  0
 14 21  1  0  0  0  0
M  END
>  <Mol_ID> (3,490)
3490

>  <Formula> (3,490)
C17H12FNO4

>  <MolWeight> (3,490)
313.2798832

>  <COMPOUND_NAME> (3,490)
WAY-356551

>  <BAR_CODE_NO> (3,490)
2567855

$$$$
WAY-356667
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
    2.1125   -3.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1750    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1125   -2.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333    0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4583    1.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333    1.3375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1750    2.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792   -0.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8875    1.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000   -1.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8875    2.9875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458    0.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2875   -3.2000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.1125   -4.0250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.9375   -3.2000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4583    2.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000   -1.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458    2.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8292   -1.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8292   -1.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6083    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6083    2.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1125   -0.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  1  1  0  0  0  0
  4  6  1  0  0  0  0
  5 10  2  0  0  0  0
  6  9  2  0  0  0  0
  7  4  1  0  0  0  0
  8 18  1  0  0  0  0
  9 19  1  0  0  0  0
 10  7  1  0  0  0  0
 11  2  1  0  0  0  0
 12  3  2  0  0  0  0
 13  8  1  0  0  0  0
 14  4  2  0  0  0  0
 15  1  1  0  0  0  0
 16  1  1  0  0  0  0
 17  1  1  0  0  0  0
 18 20  2  0  0  0  0
 19 12  1  0  0  0  0
 20 10  1  0  0  0  0
 21  3  1  0  0  0  0
 22 21  2  0  0  0  0
 23 11  1  0  0  0  0
 24 13  1  0  0  0  0
 25 22  1  0  0  0  0
 19 25  2  0  0  0  0
  2  8  2  0  0  0  0
 24 23  1  0  0  0  0
M  END
>  <Mol_ID> (3,491)
3491

>  <Formula> (3,491)
C18H14F3NO3

>  <MolWeight> (3,491)
349.3038696

>  <COMPOUND_NAME> (3,491)
WAY-356667

>  <BAR_CODE_NO> (3,491)
2567186

$$$$
WAY-356671
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -1.9500    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9500    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6708    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6708    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6167   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0500   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7667   -2.8875    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3375   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6167   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0500   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3375   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3833    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3833    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  8  1  0  0  0  0
  6  1  2  0  0  0  0
  7  4  2  0  0  0  0
  8  3  2  0  0  0  0
  9  1  1  0  0  0  0
 10  6  1  0  0  0  0
 11  2  2  0  0  0  0
 12  6  1  0  0  0  0
 13  7  1  0  0  0  0
 14 12  2  0  0  0  0
 15 20  2  0  0  0  0
 16 15  1  0  0  0  0
 17 13  1  0  0  0  0
 18 13  2  0  0  0  0
 19 17  2  0  0  0  0
 20 18  1  0  0  0  0
 21  9  1  0  0  0  0
 22 21  1  0  0  0  0
 10 22  1  0  0  0  0
  8 14  1  0  0  0  0
 15 19  1  0  0  0  0
M  END
>  <Mol_ID> (3,492)
3492

>  <Formula> (3,492)
C17H14FNO3

>  <MolWeight> (3,492)
299.2963632

>  <COMPOUND_NAME> (3,492)
WAY-356671

>  <BAR_CODE_NO> (3,492)
2567958

$$$$
WAY-356842
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    1.7542   -1.6792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542   -0.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3250    0.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958    0.3833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542   -2.5042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0375    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0375   -0.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292   -1.6792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5792   -1.6792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5333    0.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083    0.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8208    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3250    1.6208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5333    1.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8208    2.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083    1.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4667   -0.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542    0.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3208    0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4667    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8083    1.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4667   -2.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0375   -2.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3208    1.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  6  1  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  2  2  0  0  0  0
  8  1  2  0  0  0  0
  9  1  2  0  0  0  0
 10 12  1  0  0  0  0
 11  4  1  0  0  0  0
 12 11  2  0  0  0  0
 13  3  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
 17  2  1  0  0  0  0
 18 20  1  0  0  0  0
 19 10  1  0  0  0  0
 20 17  2  0  0  0  0
 21 19  1  0  0  0  0
 22  5  1  0  0  0  0
 23  5  1  0  0  0  0
 24 14  1  0  0  0  0
  6 18  2  0  0  0  0
 10 14  2  0  0  0  0
 24 21  1  0  0  0  0
M  END
>  <Mol_ID> (3,493)
3493

>  <Formula> (3,493)
C18H20N2O3S

>  <MolWeight> (3,493)
344.428

>  <COMPOUND_NAME> (3,493)
WAY-356842

>  <BAR_CODE_NO> (3,493)
2566414

$$$$
WAY-357382
csChFnd80/06171916322D

 21 22  0  0  0  0  0  0  0  0999 V2000
    0.4542   -1.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125   -0.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3500   -1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167    2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1375    1.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708    3.0208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542    0.1708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000    2.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083   -2.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167    3.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5167   -0.2750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458    1.3958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000    3.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083   -0.7917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042   -1.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4125   -2.3542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542   -2.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583   -2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6500   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6708   -3.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5  8  1  0  0  0  0
  6  4  1  0  0  0  0
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  4  2  0  0  0  0
 10  3  2  0  0  0  0
 11  6  1  0  0  0  0
 12  2  2  0  0  0  0
 13  5  2  0  0  0  0
 14  9  1  0  0  0  0
 15  3  1  0  0  0  0
 16  1  2  0  0  0  0
 17 10  1  0  0  0  0
 18 16  1  0  0  0  0
 19 18  2  0  0  0  0
 20 15  1  0  0  0  0
 21 17  1  0  0  0  0
 10 19  1  0  0  0  0
 14 11  2  0  0  0  0
M  END
>  <Mol_ID> (3,494)
3494

>  <Formula> (3,494)
C15H15NO5

>  <MolWeight> (3,494)
289.2833

>  <COMPOUND_NAME> (3,494)
WAY-357382

>  <BAR_CODE_NO> (3,494)
2566718

$$$$
WAY-357468
csChFnd80/06171916322D

 20 21  0  0  0  0  0  0  0  0999 V2000
    0.2917   -1.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417   -0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0500    2.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333    2.9583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083    0.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417    0.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7292    2.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0500    3.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3500   -0.3417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1125    1.3333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7292    3.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7708   -2.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5875   -2.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208   -2.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1375   -3.3042    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.0708   -0.8542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8750   -1.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  2  0  0  0  0
  7  2  1  0  0  0  0
  8  1  1  0  0  0  0
  9  7  1  0  0  0  0
 10  3  2  0  0  0  0
 11  5  1  0  0  0  0
 12  2  2  0  0  0  0
 13  4  2  0  0  0  0
 14 10  1  0  0  0  0
 15  6  1  0  0  0  0
 16  8  2  0  0  0  0
 17 16  1  0  0  0  0
 18 16  1  0  0  0  0
 19  6  1  0  0  0  0
 20 19  1  0  0  0  0
 17 15  2  0  0  0  0
 11 14  2  0  0  0  0
M  END
>  <Mol_ID> (3,495)
3495

>  <Formula> (3,495)
C14H12ClNO4

>  <MolWeight> (3,495)
293.70238

>  <COMPOUND_NAME> (3,495)
WAY-357468

>  <BAR_CODE_NO> (3,495)
2566528

$$$$
WAY-357638
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -0.0750   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042    0.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5625    0.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0750    1.2708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042    1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333   -0.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167   -1.4667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333    2.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958   -3.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3750    1.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083   -3.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1375   -1.0250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458   -2.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1583   -4.1625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458   -3.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2625   -3.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167   -2.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4583   -2.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1375    2.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167    2.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292    1.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2875    2.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333    3.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958    3.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9542    2.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7917    1.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458    3.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7125    2.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  2  2  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  4  1  0  0  0  0
  9 14  2  0  0  0  0
 10  5  1  0  0  0  0
 11  9  1  0  0  0  0
 12  6  2  0  0  0  0
 13  7  1  0  0  0  0
 14 13  1  0  0  0  0
 15 11  2  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 13  2  0  0  0  0
 19 11  1  0  0  0  0
 20  8  2  0  0  0  0
 21  8  1  0  0  0  0
 22 10  1  0  0  0  0
 23 10  2  0  0  0  0
 24 21  2  0  0  0  0
 25 20  1  0  0  0  0
 26 23  1  0  0  0  0
 27 22  2  0  0  0  0
 28 24  1  0  0  0  0
 29 26  2  0  0  0  0
  5  4  1  0  0  0  0
  9 16  1  0  0  0  0
 25 28  2  0  0  0  0
 27 29  1  0  0  0  0
M  END
>  <Mol_ID> (3,496)
3496

>  <Formula> (3,496)
C23H18N4O2

>  <MolWeight> (3,496)
382.41462

>  <COMPOUND_NAME> (3,496)
WAY-357638

>  <BAR_CODE_NO> (3,496)
2565911

$$$$
WAY-357919
csChFnd80/06171916322D

 23 26  0  0  0  0  0  0  0  0999 V2000
   -1.6125    0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4000    0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1500    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9458   -0.0542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2833    0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4833    0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208    0.2208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958    1.3833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3625    2.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8708    3.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0833    3.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2125    2.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0125    2.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6458    4.2792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7458    1.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1458    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3125    2.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1333    1.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4833    1.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7625    3.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4125    1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5833    0.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  2  0  0  0  0
  7  2  1  0  0  0  0
  8  3  2  0  0  0  0
  9  3  1  0  0  0  0
 10  8  1  0  0  0  0
 11 13  1  0  0  0  0
 12 11  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 15 12  2  0  0  0  0
 16  5  1  0  0  0  0
 17  6  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 14  1  0  0  0  0
 21 12  1  0  0  0  0
 22 16  1  0  0  0  0
 23 22  1  0  0  0  0
  6  4  1  0  0  0  0
  7 10  2  0  0  0  0
 17 23  1  0  0  0  0
 18 11  2  0  0  0  0
M  END
>  <Mol_ID> (3,497)
3497

>  <Formula> (3,497)
C18H16N2O2S

>  <MolWeight> (3,497)
324.39684

>  <COMPOUND_NAME> (3,497)
WAY-357919

>  <BAR_CODE_NO> (3,497)
2569044

$$$$
WAY-358000
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -1.1103   -0.9171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2690   -1.0585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4103   -0.1344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4690   -1.6792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3069   -0.4344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1310   -1.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2483   -0.0171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8931    0.5035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8931   -2.2585    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1069   -0.6171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0517    0.3415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6069   -2.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5690    0.7656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7621   -0.6654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2103    1.2829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6690   -0.0171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6069    0.9656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0310    1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4310    0.7829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4517   -0.3171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2966    2.2173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8897    1.4656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1517    0.1035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7310    1.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2897    0.9035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  2  0  0  0  0
 10 16  2  0  0  0  0
 11 17  1  0  0  0  0
 13 18  2  0  0  0  0
 16 19  1  0  0  0  0
 16 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
  6  9  1  0  0  0  0
 15 18  1  0  0  0  0
 17 19  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (3,498)
3498

>  <Formula> (3,498)
C19H18N2O4

>  <MolWeight> (3,498)
338.35722

>  <COMPOUND_NAME> (3,498)
WAY-358000

>  <BAR_CODE_NO> (3,498)
2569146

$$$$
WAY-358008
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    3.0994   -1.1885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0994   -0.3334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3580   -1.5885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8994   -1.4644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3580    0.0908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9132   -0.0920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6270   -1.1782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3925   -0.7541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5925   -0.3196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8718    0.0908    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1270   -0.2989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5592    0.1011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1270   -1.1437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3247   -0.2989    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0316    0.0908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0316    0.9701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8006   -0.3196    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7661    1.3942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2902    1.3942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5213    0.1149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5213    0.9701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7764    2.2632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5454    1.8184    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2971   -0.3196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  2  0  0  0  0
 18 21  2  0  0  0  0
 18 22  1  0  0  0  0
 19 23  3  0  0  0  0
 20 24  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (3,499)
3499

>  <Formula> (3,499)
C17H15N3O3S

>  <MolWeight> (3,499)
341.3843

>  <COMPOUND_NAME> (3,499)
WAY-358008

>  <BAR_CODE_NO> (3,499)
2569155

$$$$
WAY-358035
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -2.4125   -2.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6708   -2.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1500   -2.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6708   -1.1792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1500   -3.7875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9333   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4125   -3.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8958   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8958   -3.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9125   -2.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0125   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9333    0.1125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6708   -3.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9125   -3.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292   -1.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7042   -0.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5542   -0.8667    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.1708   -2.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6333   -2.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6333   -3.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6375   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3958   -3.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3958   -2.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  7  2  0  0  0  0
  6  4  1  0  0  0  0
  7  1  1  0  0  0  0
  8  3  1  0  0  0  0
  9  5  1  0  0  0  0
 10  2  2  0  0  0  0
 11  6  1  0  0  0  0
 12  6  2  0  0  0  0
 13  7  1  0  0  0  0
 14 13  2  0  0  0  0
 15 11  2  0  0  0  0
 16 11  1  0  0  0  0
 17 18  1  0  0  0  0
 18 16  2  0  0  0  0
 19 15  1  0  0  0  0
 20 17  1  0  0  0  0
 21 10  1  0  0  0  0
 22  8  1  0  0  0  0
 23  9  1  0  0  0  0
 24 21  1  0  0  0  0
 25 23  2  0  0  0  0
 26 22  2  0  0  0  0
 14 10  1  0  0  0  0
  9  8  2  0  0  0  0
 25 26  1  0  0  0  0
 19 17  2  0  0  0  0
M  END
>  <Mol_ID> (3,500)
3500

>  <Formula> (3,500)
C20H14ClN3O2

>  <MolWeight> (3,500)
363.79706

>  <COMPOUND_NAME> (3,500)
WAY-358035

>  <BAR_CODE_NO> (3,500)
2569199

$$$$
WAY-358449
csChFnd80/06171916322D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -1.6500    0.8625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2208    1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8708    1.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0208    1.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3333    1.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3833    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4500    1.0208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0208    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3500    2.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708    2.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2333    2.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1583    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5458    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3333    3.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9958    3.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    2.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4125    2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  2  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8  3  1  0  0  0  0
  9  7  1  0  0  0  0
 10  5  1  0  0  0  0
 11  6  1  0  0  0  0
 12  7  2  0  0  0  0
 13  9  1  0  0  0  0
 14  9  2  0  0  0  0
 15 11  2  0  0  0  0
 16 10  2  0  0  0  0
 17 12  1  0  0  0  0
 18 17  2  0  0  0  0
  5  6  2  0  0  0  0
 16 15  1  0  0  0  0
 14 18  1  0  0  0  0
M  END
>  <Mol_ID> (3,501)
3501

>  <Formula> (3,501)
C15H13N3

>  <MolWeight> (3,501)
235.28382

>  <COMPOUND_NAME> (3,501)
WAY-358449

>  <BAR_CODE_NO> (3,501)
2569655

$$$$
WAY-358451
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
    6.7375   -3.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2792   -2.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2792   -4.1167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5000   -3.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5000   -3.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5375   -3.4167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8000   -4.2792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8000   -2.6542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8869   -2.6808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5542   -2.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8375   -1.2792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1000   -3.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1000   -3.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4481   -2.0189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7098   -2.6202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5375   -4.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3375   -5.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6000   -5.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4000   -2.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4000   -4.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0653   -1.9047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1506   -3.3028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7000   -3.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7000   -3.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9494   -3.2529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8656   -1.8713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3071   -2.5162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  4  2  0  0  0  0
  8  5  2  0  0  0  0
  9  6  1  0  0  0  0
 10  2  1  0  0  0  0
 11 10  3  0  0  0  0
 12  7  1  0  0  0  0
 13  8  1  0  0  0  0
 14  9  2  0  0  0  0
 15  9  1  0  0  0  0
 16  3  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 13  2  0  0  0  0
 20 12  2  0  0  0  0
 21 15  2  0  0  0  0
 22 15  1  0  0  0  0
 23 20  1  0  0  0  0
 24 19  1  0  0  0  0
 25 22  2  0  0  0  0
 26 21  1  0  0  0  0
 27 25  1  0  0  0  0
  4  5  1  0  0  0  0
 13 12  1  0  0  0  0
 27 26  2  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (3,502)
3502

>  <Formula> (3,502)
C21H15N5O

>  <MolWeight> (3,502)
353.3767

>  <COMPOUND_NAME> (3,502)
WAY-358451

>  <BAR_CODE_NO> (3,502)
2569657

$$$$
WAY-358485
csChFnd80/06171916322D

 22 25  0  0  0  0  0  0  0  0999 V2000
   -2.4754   -0.9029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4857   -0.9029    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7650    0.0488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1547   -1.6340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1719    0.0212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8857   -1.7374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9547    0.5936    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7271    0.2557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0926   -1.3754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2340    0.3591    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1315   -1.6340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4064   -0.4754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5212   -0.2926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4729    0.0488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6832    1.0108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2039   -0.6305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6212    1.3246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1418   -0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3522    0.6729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0108    2.2384    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2108    1.1936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0039    2.1350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  8 12  2  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 17 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
  5  7  2  0  0  0  0
  9 12  1  0  0  0  0
 18 19  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (3,503)
3503

>  <Formula> (3,503)
C17H17N3O2

>  <MolWeight> (3,503)
295.33578

>  <COMPOUND_NAME> (3,503)
WAY-358485

>  <BAR_CODE_NO> (3,503)
2569691

$$$$
WAY-358489
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    0.2500    0.1625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2500    0.9458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9500    1.2958    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.5958    2.0333    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.2500   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2500   -2.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042    0.1625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4708    0.1625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042    1.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042    2.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042    2.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667   -2.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208    2.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000   -3.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4000   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9500   -0.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3833   -1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9500   -1.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -3.3667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958    2.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667    3.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3500    2.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  6  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7 13  1  0  0  0  0
  8  1  2  0  0  0  0
  9  1  2  0  0  0  0
 10  3  1  0  0  0  0
 11 12  1  0  0  0  0
 12  3  1  0  0  0  0
 13 19  1  0  0  0  0
 14  4  1  0  0  0  0
 15  7  2  0  0  0  0
 16  5  2  0  0  0  0
 17  5  1  0  0  0  0
 18 16  1  0  0  0  0
 19 17  2  0  0  0  0
 20  7  1  0  0  0  0
 21  4  1  0  0  0  0
 22 11  1  0  0  0  0
 23 11  1  0  0  0  0
 18 13  2  0  0  0  0
  4 10  1  0  0  0  0
 11 14  1  0  0  0  0
M  END
>  <Mol_ID> (3,504)
3504

>  <Formula> (3,504)
C17H23NO4S

>  <MolWeight> (3,504)
337.43382

>  <COMPOUND_NAME> (3,504)
WAY-358489

>  <BAR_CODE_NO> (3,504)
2569711

$$$$
WAY-358563
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.1000    1.0708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6500    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6500    1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    2.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000    2.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333    1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7167    2.0333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1792    2.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500    2.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3167    2.3708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    0.1708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    1.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1792    1.0500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.3500    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708    1.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708    2.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542    1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3500    1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5125    1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5125    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  1  1  0  0  0  0
  4 10  1  0  0  0  0
  5  8  2  0  0  0  0
  6  1  2  0  0  0  0
  7  9  2  0  0  0  0
  8  6  1  0  0  0  0
  9  2  1  0  0  0  0
 10  7  1  0  0  0  0
 11  4  2  0  0  0  0
 12 15  2  0  0  0  0
 13  4  1  0  0  0  0
 14  3  1  0  0  0  0
 15 20  1  0  0  0  0
 16 19  2  0  0  0  0
 17  6  1  0  0  0  0
 18  8  1  0  0  0  0
 19 13  1  0  0  0  0
 20 13  2  0  0  0  0
 21 17  2  0  0  0  0
 22 21  1  0  0  0  0
  2  5  1  0  0  0  0
 22 18  2  0  0  0  0
 12 16  1  0  0  0  0
M  END
>  <Mol_ID> (3,505)
3505

>  <Formula> (3,505)
C16H11ClN4O

>  <MolWeight> (3,505)
310.73774

>  <COMPOUND_NAME> (3,505)
WAY-358563

>  <BAR_CODE_NO> (3,505)
2569017

$$$$
WAY-358664
csChFnd80/06171916322D

 28 30  0  0  0  0  0  0  0  0999 V2000
    4.5292   -2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000   -1.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8667   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7000   -2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4042   -3.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4042   -1.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000   -2.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000   -0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7542   -1.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2500   -3.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000   -3.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000   -0.1542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5292   -0.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6500   -3.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1792   -0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2500   -1.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4042   -0.1667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6500   -2.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0500   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500   -3.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000   -3.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4042   -4.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2292   -4.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5167   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7000   -3.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8  7  2  0  0  0  0
  9 16  1  0  0  0  0
 10  4  1  0  0  0  0
 11 19  1  0  0  0  0
 12  6  1  0  0  0  0
 13  3  2  0  0  0  0
 14  4  2  0  0  0  0
 15 11  1  0  0  0  0
 16 10  1  0  0  0  0
 17  7  1  0  0  0  0
 18  9  2  0  0  0  0
 19 17  2  0  0  0  0
 20  3  1  0  0  0  0
 21  1  2  0  0  0  0
 22  5  2  0  0  0  0
 23 12  1  0  0  0  0
 24 15  1  0  0  0  0
 25 20  1  0  0  0  0
 26 20  1  0  0  0  0
 27 21  1  0  0  0  0
 28 27  2  0  0  0  0
 28 22  1  0  0  0  0
  6 11  2  0  0  0  0
 24 23  1  0  0  0  0
M  END
>  <Mol_ID> (3,506)
3506

>  <Formula> (3,506)
C21H21NO6

>  <MolWeight> (3,506)
383.39454

>  <COMPOUND_NAME> (3,506)
WAY-358664

>  <BAR_CODE_NO> (3,506)
2569846

$$$$
WAY-358677
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    2.1792   -1.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542   -1.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7292   -0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833    0.3958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5167   -0.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0792   -1.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3042   -1.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9625   -0.7667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9792   -2.2542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6667   -0.1542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000   -1.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3792   -0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7167   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542   -1.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208    0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208    0.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3625    1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0000    1.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3625    0.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5125    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  7  1  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7 15  2  0  0  0  0
  8  2  1  0  0  0  0
  9  3  1  0  0  0  0
 10  4  2  0  0  0  0
 11  2  2  0  0  0  0
 12  3  2  0  0  0  0
 13  6  1  0  0  0  0
 14  6  2  0  0  0  0
 15 14  1  0  0  0  0
 16 13  2  0  0  0  0
 17  5  1  0  0  0  0
 18 17  2  0  0  0  0
 19 17  1  0  0  0  0
 20 19  2  0  0  0  0
 21 18  1  0  0  0  0
 22 20  1  0  0  0  0
  9  8  1  0  0  0  0
 16  7  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (3,507)
3507

>  <Formula> (3,507)
C17H14N2O3

>  <MolWeight> (3,507)
294.30466

>  <COMPOUND_NAME> (3,507)
WAY-358677

>  <BAR_CODE_NO> (3,507)
2569859

$$$$
WAY-358708
csChFnd80/06171916322D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -1.7958    0.1333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708    0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4458    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0458    0.8208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9125   -0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0125    0.2958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4708   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958    0.8458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6208    0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1500    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0500   -0.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2333   -0.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    0.4833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7125   -1.0042    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.2667   -0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7125   -0.2542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8042   -0.6542    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.1625   -0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  2  0  0  0  0
  5  6  1  0  0  0  0
  6  3  1  0  0  0  0
  7  5  1  0  0  0  0
  8  3  1  0  0  0  0
  9  2  1  0  0  0  0
 10  7  2  0  0  0  0
 11  7  1  0  0  0  0
 12 10  1  0  0  0  0
 13  5  2  0  0  0  0
 14  9  2  0  0  0  0
 15 17  1  0  0  0  0
 16 10  1  0  0  0  0
 17 11  2  0  0  0  0
 18  9  1  0  0  0  0
 19 15  1  0  0  0  0
 20 18  1  0  0  0  0
  4  8  1  0  0  0  0
 12 15  2  0  0  0  0
M  END
>  <Mol_ID> (3,508)
3508

>  <Formula> (3,508)
C11H8Cl2N4O3

>  <MolWeight> (3,508)
315.11222

>  <COMPOUND_NAME> (3,508)
WAY-358708

>  <BAR_CODE_NO> (3,508)
2569915

$$$$
WAY-358721
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -1.8500    1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1500    1.5625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0958    2.3833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9500    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4125    1.2833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0125    1.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8958    0.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7958    2.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6958    1.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5958    0.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500    0.7208    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.4333    0.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4125    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042    0.1208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7708   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5958   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0958    1.1625    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.2708   -0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0958   -0.8792    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.8042    0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292    1.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667    0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7  9  1  0  0  0  0
  8  3  1  0  0  0  0
  9  6  1  0  0  0  0
 10  7  1  0  0  0  0
 11  4  1  0  0  0  0
 12  4  2  0  0  0  0
 13  7  2  0  0  0  0
 14 11  1  0  0  0  0
 15 10  2  0  0  0  0
 16 13  1  0  0  0  0
 17 10  1  0  0  0  0
 18 16  2  0  0  0  0
 19 16  1  0  0  0  0
 20 14  1  0  0  0  0
 21 11  1  0  0  0  0
 22 21  1  0  0  0  0
  8  6  2  0  0  0  0
 20 22  1  0  0  0  0
 18 15  1  0  0  0  0
M  END
>  <Mol_ID> (3,509)
3509

>  <Formula> (3,509)
C15H14Cl2N2O2S

>  <MolWeight> (3,509)
357.25486

>  <COMPOUND_NAME> (3,509)
WAY-358721

>  <BAR_CODE_NO> (3,509)
2569900

$$$$
WAY-358732
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    5.6542   -4.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6542   -5.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500   -4.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3542   -4.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9542   -5.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1000   -4.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2500   -4.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3792   -5.8042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9542   -6.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2500   -5.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5500   -6.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2500   -7.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5500   -5.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8500   -7.0667    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500   -3.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3542   -3.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8042   -4.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5042   -4.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0792   -2.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2292   -2.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5042   -3.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8000   -3.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  3  1  0  0  0  0
  8  2  2  0  0  0  0
  9  5  1  0  0  0  0
 10  5  2  0  0  0  0
 11 13  2  0  0  0  0
 12  9  2  0  0  0  0
 13 10  1  0  0  0  0
 14 11  1  0  0  0  0
 15  3  2  0  0  0  0
 16  4  2  0  0  0  0
 17  6  2  0  0  0  0
 18  7  2  0  0  0  0
 19 16  1  0  0  0  0
 20 15  1  0  0  0  0
 21 20  2  0  0  0  0
 22 19  2  0  0  0  0
 17 22  1  0  0  0  0
 18 21  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (3,510)
3510

>  <Formula> (3,510)
C17H12IN3O

>  <MolWeight> (3,510)
401.20115

>  <COMPOUND_NAME> (3,510)
WAY-358732

>  <BAR_CODE_NO> (3,510)
2569918

$$$$
WAY-358756
csChFnd80/06171916322D

 29 31  0  0  0  0  0  0  0  0999 V2000
    2.3292    2.2833    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.9000    1.9458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7875    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8875    2.5958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7500    2.5625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3792    2.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0375    1.5708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000    1.7333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0542    3.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4000    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792    2.4125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.6000    3.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458    2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042    3.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542    2.6208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7000    0.8333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0875    2.4625    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.2667    1.7000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    1.5333    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875    3.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    4.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6500    4.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5833    1.0958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8292    4.4792    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2625    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  9  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  3  2  0  0  0  0
  9  7  1  0  0  0  0
 10  5  1  0  0  0  0
 11  8  1  0  0  0  0
 12  3  1  0  0  0  0
 13  6  1  0  0  0  0
 14 11  1  0  0  0  0
 15 12  1  0  0  0  0
 16 10  1  0  0  0  0
 17 14  1  0  0  0  0
 18  7  2  0  0  0  0
 19 17  2  0  0  0  0
 20  4  1  0  0  0  0
 21  4  1  0  0  0  0
 22  4  1  0  0  0  0
 23 13  1  0  0  0  0
 24 16  2  0  0  0  0
 25 23  2  0  0  0  0
 26 17  1  0  0  0  0
 27 24  1  0  0  0  0
 28 26  1  0  0  0  0
 29 28  1  0  0  0  0
 10 13  2  0  0  0  0
 24 25  1  0  0  0  0
 11 15  2  0  0  0  0
M  END
>  <Mol_ID> (3,511)
3511

>  <Formula> (3,511)
C16H13ClF3N3O5S

>  <MolWeight> (3,511)
451.8047296

>  <COMPOUND_NAME> (3,511)
WAY-358756

>  <BAR_CODE_NO> (3,511)
2569958

$$$$
WAY-358793
csChFnd80/06171916322D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -1.7000    0.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0833    0.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9708    1.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9000    0.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    1.1208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7708    0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5458    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0625   -0.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9000    0.7625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0125    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6208    0.0208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542   -0.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000   -0.2292    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.0625   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  3  1  0  0  0  0
  7  5  1  0  0  0  0
  8  2  1  0  0  0  0
  9  7  1  0  0  0  0
 10  7  2  0  0  0  0
 11  8  2  0  0  0  0
 12  9  2  0  0  0  0
 13  9  1  0  0  0  0
 14  8  1  0  0  0  0
 15 17  1  0  0  0  0
 16 12  1  0  0  0  0
 17 13  2  0  0  0  0
 18 15  1  0  0  0  0
 19 14  1  0  0  0  0
  4  6  1  0  0  0  0
 16 15  2  0  0  0  0
M  END
>  <Mol_ID> (3,512)
3512

>  <Formula> (3,512)
C11H9BrN4O3

>  <MolWeight> (3,512)
325.11816

>  <COMPOUND_NAME> (3,512)
WAY-358793

>  <BAR_CODE_NO> (3,512)
2569990

$$$$
WAY-358799
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -0.4958   -0.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042    0.6000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.3042   -1.2667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3500   -1.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8958   -0.4500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958    0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9292    0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7292    1.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042    1.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9000   -1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833    1.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8708    1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833    2.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000    1.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2958    3.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1208    1.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1125    2.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  2  0  0  0  0
  4  6  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  1  2  0  0  0  0
  8  7  1  0  0  0  0
  9  2  2  0  0  0  0
 10  3  1  0  0  0  0
 11 10  3  0  0  0  0
 12  5  1  0  0  0  0
 13  4  1  0  0  0  0
 14 12  1  0  0  0  0
 15  9  1  0  0  0  0
 16 14  1  0  0  0  0
 17 14  2  0  0  0  0
 18 16  2  0  0  0  0
 19 17  1  0  0  0  0
 20 19  2  0  0  0  0
  8  9  1  0  0  0  0
  5  3  1  0  0  0  0
 20 18  1  0  0  0  0
M  END
>  <Mol_ID> (3,513)
3513

>  <Formula> (3,513)
C15H14N4O

>  <MolWeight> (3,513)
266.29786

>  <COMPOUND_NAME> (3,513)
WAY-358799

>  <BAR_CODE_NO> (3,513)
2569994

$$$$
WAY-358831
csChFnd80/06171916322D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -0.0240    0.5896    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5794    1.0275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6240    1.0275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0344   -0.1587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3553    1.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3139    0.8654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3965    1.7413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3585    0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6139   -0.5415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8553    2.2896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8139    1.4137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8861    2.2930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8585    1.4413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6035   -1.2932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5863    2.1275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6206    2.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0001   -1.7208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2139   -1.7346    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2242   -2.4415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7137   -1.4863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9760   -2.4484    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2206   -3.0484    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2758   -1.9794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1240   -2.7173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  1  0  0  0  0
 10 15  2  0  0  0  0
 12 16  2  0  0  0  0
 14 17  1  0  0  0  0
 14 18  2  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  2  0  0  0  0
  5  7  1  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 19 21  2  0  0  0  0
M  END
>  <Mol_ID> (3,514)
3514

>  <Formula> (3,514)
C19H18N4S

>  <MolWeight> (3,514)
334.43802

>  <COMPOUND_NAME> (3,514)
WAY-358831

>  <BAR_CODE_NO> (3,514)
2570023

$$$$
WAY-358844
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -1.5500    0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8000    1.1458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208   -0.0167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6708    1.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0500    0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2625   -0.2042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9708    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2208    1.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958    1.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542    0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8833    2.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0833    1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2958    3.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4333    3.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6333    2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8125    3.8958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4292    0.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4708    4.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7500   -0.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667    0.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4167   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  4  1  0  0  0  0
  9  5  2  0  0  0  0
 10  5  1  0  0  0  0
 11  8  2  0  0  0  0
 12  8  1  0  0  0  0
 13 15  1  0  0  0  0
 14 11  1  0  0  0  0
 15 12  2  0  0  0  0
 16 13  1  0  0  0  0
 17 10  1  0  0  0  0
 18 10  1  0  0  0  0
 19 16  1  0  0  0  0
 20 17  1  0  0  0  0
 21 18  1  0  0  0  0
 22 21  1  0  0  0  0
  7  4  2  0  0  0  0
 14 13  2  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (3,515)
3515

>  <Formula> (3,515)
C17H20N2O2S

>  <MolWeight> (3,515)
316.4179

>  <COMPOUND_NAME> (3,515)
WAY-358844

>  <BAR_CODE_NO> (3,515)
2570046

$$$$
WAY-359273
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
    5.3042   -5.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3042   -4.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0167   -4.3292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3167   -7.2292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0292   -6.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0250   -5.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7292   -3.0917    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.6000   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0125   -3.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6000   -6.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7292   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7417   -7.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5875   -4.3417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4542   -1.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4500   -6.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7417   -8.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7292   -4.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1750   -8.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0167   -1.8417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1667   -7.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4542   -8.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8875   -8.4667    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.4500   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8792   -5.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4500   -4.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8792   -7.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0125   -1.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1667   -6.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2917   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1667   -6.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  7  9  1  0  0  0  0
  8  1  1  0  0  0  0
  9  3  1  0  0  0  0
 10  8  1  0  0  0  0
 11  7  1  0  0  0  0
 12  5  1  0  0  0  0
 13  2  2  0  0  0  0
 14 11  2  0  0  0  0
 15 12  1  0  0  0  0
 16 12  2  0  0  0  0
 17  3  1  0  0  0  0
 18 21  2  0  0  0  0
 19 11  1  0  0  0  0
 20 15  2  0  0  0  0
 21 16  1  0  0  0  0
 22 18  1  0  0  0  0
 23 25  1  0  0  0  0
 24  8  2  0  0  0  0
 25 17  1  0  0  0  0
 26 10  2  0  0  0  0
 27 19  1  0  0  0  0
 28 24  1  0  0  0  0
 29 27  1  0  0  0  0
 30 28  2  0  0  0  0
  4  5  2  0  0  0  0
 26 30  1  0  0  0  0
 20 18  1  0  0  0  0
  7 23  1  0  0  0  0
M  END
>  <Mol_ID> (3,516)
3516

>  <Formula> (3,516)
C24H23FN2O3

>  <MolWeight> (3,516)
406.4494232

>  <COMPOUND_NAME> (3,516)
WAY-359273

>  <BAR_CODE_NO> (3,516)
2570509

$$$$
WAY-359276
csChFnd80/06171916322D

 21 22  0  0  0  0  0  0  0  0999 V2000
    4.9417   -2.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2292   -1.7292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500   -2.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4042   -5.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6667   -3.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6875   -5.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6542   -1.7250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3917   -4.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6750   -4.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9667   -5.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9625   -4.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1167   -5.8292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6917   -6.6750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -2.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2875   -0.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1292   -6.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9792   -7.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7000   -1.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6292   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -1.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9042   -0.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  8  2  0  0  0  0
  5  3  2  0  0  0  0
  6 10  2  0  0  0  0
  7  1  2  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
 10 11  1  0  0  0  0
 11  9  2  0  0  0  0
 12  4  1  0  0  0  0
 13  6  1  0  0  0  0
 14  2  1  0  0  0  0
 15  2  1  0  0  0  0
 16 12  1  0  0  0  0
 17 13  1  0  0  0  0
 18 14  1  0  0  0  0
 19 15  1  0  0  0  0
 20 18  1  0  0  0  0
 21 19  1  0  0  0  0
 20 21  1  0  0  0  0
  4  6  1  0  0  0  0
M  END
>  <Mol_ID> (3,517)
3517

>  <Formula> (3,517)
C17H23NO3

>  <MolWeight> (3,517)
289.36942

>  <COMPOUND_NAME> (3,517)
WAY-359276

>  <BAR_CODE_NO> (3,517)
2570519

$$$$
WAY-358963
csChFnd80/06171916322D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -0.3358    0.3882    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2552    0.2952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1052    1.2522    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5252    0.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4318    0.9822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5252   -0.2388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1982   -0.7398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1192   -0.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6988    0.0222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0682   -1.3038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3982   -0.8028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4712   -1.2738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3412   -1.8468    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.9838    1.2672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3138    0.0222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5658    1.0032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6768    0.4122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  5  2  0  0  0  0
  2  4  2  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  6  7  2  0  0  0  0
  8  6  1  0  0  0  0
  9  1  1  0  0  0  0
 10 11  1  0  0  0  0
 11  8  2  0  0  0  0
 12  7  1  0  0  0  0
 13 10  1  0  0  0  0
 14  5  1  0  0  0  0
 15  9  1  0  0  0  0
 16 14  1  0  0  0  0
 17 15  1  0  0  0  0
  4  3  1  0  0  0  0
 16 17  1  0  0  0  0
 12 10  2  0  0  0  0
M  END
>  <Mol_ID> (3,518)
3518

>  <Formula> (3,518)
C14H15ClN2

>  <MolWeight> (3,518)
246.7353

>  <COMPOUND_NAME> (3,518)
WAY-358963

>  <BAR_CODE_NO> (3,518)
2570177

$$$$
WAY-358981
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -2.0500   -0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1625    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0250   -1.5667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9625   -1.3458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5292   -0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8792    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4250   -0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8333    0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7958    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7250   -0.3542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8625    1.0667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792   -1.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3458   -0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9375   -1.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6875    1.5708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2000    1.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3083   -0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1667    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7208    0.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  6  2  0  0  0  0
 11  6  1  0  0  0  0
 12  7  2  0  0  0  0
 13 14  2  0  0  0  0
 14 12  1  0  0  0  0
 15 11  1  0  0  0  0
 16  9  1  0  0  0  0
 17 13  1  0  0  0  0
 18 16  2  0  0  0  0
 19 17  2  0  0  0  0
  3  5  2  0  0  0  0
 13  9  1  0  0  0  0
 19 18  1  0  0  0  0
M  END
>  <Mol_ID> (3,519)
3519

>  <Formula> (3,519)
C14H12N4O

>  <MolWeight> (3,519)
252.27128

>  <COMPOUND_NAME> (3,519)
WAY-358981

>  <BAR_CODE_NO> (3,519)
2570184

$$$$
WAY-359027
csChFnd80/06171916322D

 26 30  0  0  0  0  0  0  0  0999 V2000
    2.8917   -2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8917   -3.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2792   -2.2417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6125   -2.3917    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.6250   -1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6042   -4.0500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4500   -1.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3292   -2.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3167   -3.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875   -4.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1750   -3.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4417   -4.4375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2250   -0.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1625   -4.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542   -3.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6417   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3917   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4042    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9875   -0.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2375    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042    1.4083    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.0375   -2.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0375   -4.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7250   -4.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7625   -2.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7625   -3.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  2  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8  4  1  0  0  0  0
  9  8  2  0  0  0  0
 10  2  1  0  0  0  0
 11  2  1  0  0  0  0
 12 15  1  0  0  0  0
 13  5  1  0  0  0  0
 14 10  1  0  0  0  0
 15 11  1  0  0  0  0
 16 13  2  0  0  0  0
 17 13  1  0  0  0  0
 18 19  1  0  0  0  0
 19 17  2  0  0  0  0
 20 16  1  0  0  0  0
 21 18  1  0  0  0  0
 22  8  1  0  0  0  0
 23  9  1  0  0  0  0
 24 12  1  0  0  0  0
 25 22  2  0  0  0  0
 26 25  1  0  0  0  0
  7  5  1  0  0  0  0
  9  6  1  0  0  0  0
 14 12  1  0  0  0  0
 23 26  2  0  0  0  0
 20 18  2  0  0  0  0
M  END
>  <Mol_ID> (3,520)
3520

>  <Formula> (3,520)
C21H22BrN3O

>  <MolWeight> (3,520)
412.32288

>  <COMPOUND_NAME> (3,520)
WAY-359027

>  <BAR_CODE_NO> (3,520)
2570233

$$$$
WAY-359051
csChFnd80/06171916322D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -0.7500    3.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    3.8333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    2.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2958   -0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5125    2.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5333   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5125    3.8583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2958    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5125    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1000   -0.5667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5333   -1.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000    3.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000    4.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8833   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167    4.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000    4.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  8  1  0  0  0  0
  5  3  2  0  0  0  0
  6 10  1  0  0  0  0
  7  1  2  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
 10 11  2  0  0  0  0
 11  9  1  0  0  0  0
 12  4  1  0  0  0  0
 13  6  1  0  0  0  0
 14  2  1  0  0  0  0
 15  2  1  0  0  0  0
 16 12  1  0  0  0  0
 17 13  1  0  0  0  0
 18 14  1  0  0  0  0
 19 15  1  0  0  0  0
 18 19  1  0  0  0  0
  4  6  2  0  0  0  0
M  END
>  <Mol_ID> (3,521)
3521

>  <Formula> (3,521)
C15H19NO3

>  <MolWeight> (3,521)
261.31626

>  <COMPOUND_NAME> (3,521)
WAY-359051

>  <BAR_CODE_NO> (3,521)
2570268

$$$$
WAY-359112
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
    2.4417   -3.4542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7167   -3.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1542   -3.0417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3000   -1.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8750   -3.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5875   -2.2292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7167   -4.7042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5875   -3.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0250   -2.7375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8542   -4.1792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3000   -0.9917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9375   -3.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0167   -2.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9375   -4.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542   -4.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8667    0.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8667    1.4875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.8750   -4.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1542   -0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3042   -3.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8750   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1500    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5875   -4.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3042   -4.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  6  1  0  0  0  0
  5  3  1  0  0  0  0
  6  8  1  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  1  2  0  0  0  0
 10  1  2  0  0  0  0
 11  4  1  0  0  0  0
 12  2  2  0  0  0  0
 13  4  2  0  0  0  0
 14  7  1  0  0  0  0
 15 11  1  0  0  0  0
 16 15  2  0  0  0  0
 17 12  1  0  0  0  0
 18 16  1  0  0  0  0
 19 18  1  0  0  0  0
 20  5  2  0  0  0  0
 21 23  2  0  0  0  0
 22  8  2  0  0  0  0
 23 15  1  0  0  0  0
 24 21  1  0  0  0  0
 25 20  1  0  0  0  0
 26 25  2  0  0  0  0
 17 14  2  0  0  0  0
 26 22  1  0  0  0  0
 18 24  2  0  0  0  0
M  END
>  <Mol_ID> (3,522)
3522

>  <Formula> (3,522)
C17H14ClN3O3S2

>  <MolWeight> (3,522)
407.89436

>  <COMPOUND_NAME> (3,522)
WAY-359112

>  <BAR_CODE_NO> (3,522)
2570338

$$$$
WAY-359191
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -1.5201    0.2514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5201   -0.5046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8721   -0.8796    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8721    0.6234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2211    0.2514    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2211   -0.5046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2401   -0.7386    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2401    0.4794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6781   -0.1266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7229   -0.8796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3709   -0.5046    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4239   -0.8796    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8721    1.3704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0689   -0.5046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7229   -1.6296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4239    0.6204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6639    0.2364    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0689    0.2454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7229    0.6204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5431    1.1664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4281   -0.0486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0159   -0.8826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3709    0.2394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0159    0.6084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6639   -0.5136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2931    1.2474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7341    0.6354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  2  1  0  0  0  0
  8  1  1  0  0  0  0
  8  9  2  0  0  0  0
 10 14  1  0  0  0  0
 11 10  1  0  0  0  0
 12  6  1  0  0  0  0
 13  4  2  0  0  0  0
 14 12  1  0  0  0  0
 15 10  2  0  0  0  0
 16  5  1  0  0  0  0
 17 24  1  0  0  0  0
 18 16  1  0  0  0  0
 18 19  2  0  0  0  0
 20  8  1  0  0  0  0
 21  9  1  0  0  0  0
 22 11  1  0  0  0  0
 23 11  1  0  0  0  0
 24 23  1  0  0  0  0
 25 22  1  0  0  0  0
 26 20  1  0  0  0  0
 27 26  1  0  0  0  0
  7  9  1  0  0  0  0
  3  6  2  0  0  0  0
 21 27  1  0  0  0  0
 17 25  1  0  0  0  0
M  END
>  <Mol_ID> (3,523)
3523

>  <Formula> (3,523)
C19H23N3O3S2

>  <MolWeight> (3,523)
405.53422

>  <COMPOUND_NAME> (3,523)
WAY-359191

>  <BAR_CODE_NO> (3,523)
2570417

$$$$
WAY-359195
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
    3.7917   -1.8042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7917   -2.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0792   -1.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0792   -3.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3667   -1.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3625   -2.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5042   -3.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0792   -0.5667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2167   -2.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6375   -1.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3500   -1.3750    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.2042   -1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9375   -3.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6417   -2.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9125   -1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -3.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9375   -2.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9375   -1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  2  1  0  0  0  0
  8  3  2  0  0  0  0
  9  7  1  0  0  0  0
 10 14  2  0  0  0  0
 11 10  1  0  0  0  0
 12  9  1  0  0  0  0
 13  9  2  0  0  0  0
 14 13  1  0  0  0  0
 15 12  2  0  0  0  0
 16  6  2  0  0  0  0
 17  5  2  0  0  0  0
 18 19  2  0  0  0  0
 19 17  1  0  0  0  0
  6  4  1  0  0  0  0
 18 16  1  0  0  0  0
 15 10  1  0  0  0  0
M  END
>  <Mol_ID> (3,524)
3524

>  <Formula> (3,524)
C15H11FN2O

>  <MolWeight> (3,524)
254.2590432

>  <COMPOUND_NAME> (3,524)
WAY-359195

>  <BAR_CODE_NO> (3,524)
2570424

$$$$
WAY-359303
csChFnd80/06171916322D

 29 33  0  0  0  0  0  0  0  0999 V2000
    1.3500   -3.3292    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.3500   -4.0792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6542   -3.3292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6917   -4.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1875   -2.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417   -3.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417   -4.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042   -4.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6542   -4.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9042   -2.9917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3500   -2.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6917   -5.2042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9917   -2.0667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1042   -3.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4917   -5.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6125   -2.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6875   -5.8875    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6125   -4.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8292   -3.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5750   -4.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7667   -4.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0167   -4.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   -2.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2583   -3.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2583   -4.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3500   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  2  0  0  0  0
  8  2  1  0  0  0  0
  9  3  1  0  0  0  0
 10  5  1  0  0  0  0
 11  1  1  0  0  0  0
 12  4  2  0  0  0  0
 13  5  2  0  0  0  0
 14 10  1  0  0  0  0
 15 21  1  0  0  0  0
 16  6  1  0  0  0  0
 17 15  1  0  0  0  0
 18  7  1  0  0  0  0
 19 14  2  0  0  0  0
 20 14  1  0  0  0  0
 21 20  2  0  0  0  0
 22 19  1  0  0  0  0
 23 11  2  0  0  0  0
 24 11  1  0  0  0  0
 25 16  2  0  0  0  0
 26 25  1  0  0  0  0
 27 24  2  0  0  0  0
 28 23  1  0  0  0  0
 29 27  1  0  0  0  0
  4  7  1  0  0  0  0
  9  8  1  0  0  0  0
 28 29  2  0  0  0  0
 26 18  2  0  0  0  0
 22 15  2  0  0  0  0
M  END
>  <Mol_ID> (3,525)
3525

>  <Formula> (3,525)
C23H18FN3O2

>  <MolWeight> (3,525)
387.4063232

>  <COMPOUND_NAME> (3,525)
WAY-359303

>  <BAR_CODE_NO> (3,525)
2570545

$$$$
WAY-359346
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
    2.5500   -2.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4667   -2.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7000   -3.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8000   -1.7917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2667   -1.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7000   -4.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9792   -2.9542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9792   -2.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6625   -3.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542   -2.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4167   -2.9542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4167   -4.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9792   -4.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1292   -4.1917    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.2625   -4.1917    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.2667   -0.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7000   -1.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2500   -3.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6917   -5.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292   -2.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9792   -5.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4167   -5.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9792   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6917   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292   -3.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167   -3.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  7  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  8  1  0  0  0  0
  8  5  1  0  0  0  0
  9  2  1  0  0  0  0
 10  4  1  0  0  0  0
 11  3  2  0  0  0  0
 12  6  1  0  0  0  0
 13  6  2  0  0  0  0
 14 12  1  0  0  0  0
 15 13  1  0  0  0  0
 16  5  2  0  0  0  0
 17  8  2  0  0  0  0
 18  9  1  0  0  0  0
 19 21  2  0  0  0  0
 20 10  1  0  0  0  0
 21 13  1  0  0  0  0
 22 12  2  0  0  0  0
 23 16  1  0  0  0  0
 24 23  2  0  0  0  0
 25 18  2  0  0  0  0
 26 20  2  0  0  0  0
 10  9  2  0  0  0  0
 24 17  1  0  0  0  0
 25 26  1  0  0  0  0
 19 22  1  0  0  0  0
M  END
>  <Mol_ID> (3,526)
3526

>  <Formula> (3,526)
C20H13F2N3O

>  <MolWeight> (3,526)
349.3335264

>  <COMPOUND_NAME> (3,526)
WAY-359346

>  <BAR_CODE_NO> (3,526)
2570588

$$$$
WAY-359455
csChFnd80/06171916322D

 14 16  0  0  0  0  0  0  0  0999 V2000
    0.0027    0.6421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3456    0.1421    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1958   -0.1407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0697    2.0766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2146    1.2317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1766   -1.0579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4820    0.4973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1096   -1.5683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4559    2.4248    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5490    0.8076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5490   -0.6441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6854   -0.2993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2923   -2.3786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5923   -1.7338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  2  0  0  0  0
 12 14  2  0  0  0  0
  5  9  2  0  0  0  0
 10 11  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (3,527)
3527

>  <Formula> (3,527)
C12H12N2

>  <MolWeight> (3,527)
184.23708

>  <COMPOUND_NAME> (3,527)
WAY-359455

>  <BAR_CODE_NO> (3,527)
2570706

$$$$
WAY-359465
csChFnd80/06171916322D

 21 24  0  0  0  0  0  0  0  0999 V2000
   -0.1724    0.6963    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7897    1.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5414    1.1066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0034   -0.1106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5724    1.0031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4586    1.9963    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1517    0.5549    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3655    1.9169    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8138   -0.1969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1759    1.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7483    0.2031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2000   -0.9348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9586    1.3066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5345   -0.0451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0241   -0.9796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7483   -1.6210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1379    0.5169    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -1.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1241   -2.3589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9517   -2.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2241   -1.7451    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 15  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  2  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
 14 17  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (3,528)
3528

>  <Formula> (3,528)
C14H8ClN5S

>  <MolWeight> (3,528)
313.76482

>  <COMPOUND_NAME> (3,528)
WAY-359465

>  <BAR_CODE_NO> (3,528)
2570732

$$$$
WAY-359497
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -0.6795    0.8200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2554    1.4993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9795   -0.0041    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2205    0.8200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1416    1.3441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9416    2.3717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2554   -0.5490    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4791   -0.0283    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7209    2.0338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5209    3.0510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3726   -1.4490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4105    2.8717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3274   -2.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1688   -1.6490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1929   -2.8662    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8895   -2.2007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3205   -0.7559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6929   -1.8800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1446   -0.4283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8412   -1.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  9 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
  7  8  1  0  0  0  0
 10 12  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (3,529)
3529

>  <Formula> (3,529)
C15H12N4O

>  <MolWeight> (3,529)
264.28198

>  <COMPOUND_NAME> (3,529)
WAY-359497

>  <BAR_CODE_NO> (3,529)
2570760

$$$$
WAY-359515
csChFnd80/06171916322D

 23 24  0  0  0  0  0  0  0  0999 V2000
   -1.5046    0.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5630    1.7736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8960   -0.7374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0549    1.0958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0127    1.3884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3457   -1.1226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0035    0.0328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4041   -0.0596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0711    2.4514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7370   -2.5706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4532    0.4180    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6121   -1.4152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8538   -0.4448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6798    3.8994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6786   -3.6335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5116   -0.6450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2451   -1.8928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9613   -0.2598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3526    1.1882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0197   -1.3228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8023    1.5733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4694   -0.9377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8607    0.5104    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 23 22  2  0  0  0  0
  6  8  2  0  0  0  0
 23 21  1  0  0  0  0
 22 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 18  2  0  0  0  0
 19 18  1  0  0  0  0
 18 16  1  0  0  0  0
 17 13  1  0  0  0  0
 16 11  1  0  0  0  0
 15 10  1  0  0  0  0
 14  9  1  0  0  0  0
 13  8  1  0  0  0  0
 12  7  2  0  0  0  0
 11  7  1  0  0  0  0
 10  6  1  0  0  0  0
  9  5  1  0  0  0  0
  8  5  1  0  0  0  0
  7  4  1  0  0  0  0
  6  3  1  0  0  0  0
  5  2  2  0  0  0  0
  4  1  1  0  0  0  0
  1  3  2  0  0  0  0
  2  1  1  0  0  0  0
M  END
>  <Mol_ID> (3,530)
3530

>  <Formula> (3,530)
C16H19N3O4

>  <MolWeight> (3,530)
317.33976

>  <COMPOUND_NAME> (3,530)
WAY-359515

>  <BAR_CODE_NO> (3,530)
2570775

$$$$
WAY-359529
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
    2.4417   -2.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1667   -1.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8667   -3.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8750   -2.3542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4417   -3.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7375   -1.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1542   -3.5917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6667   -2.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0167   -2.3417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792   -3.6000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292   -1.1125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7750   -1.3167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3792   -2.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8792   -1.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4542   -1.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917   -2.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7250   -3.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208   -3.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208   -1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8792   -0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4542   -0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0458   -1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0375   -3.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4583   -2.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1667   -0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  7  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  1  0  0  0  0
  7  5  1  0  0  0  0
  8  4  1  0  0  0  0
  9  6  1  0  0  0  0
 10  3  2  0  0  0  0
 11  6  2  0  0  0  0
 12  8  2  0  0  0  0
 13  8  1  0  0  0  0
 14  2  1  0  0  0  0
 15  2  1  0  0  0  0
 16  9  1  0  0  0  0
 17  5  1  0  0  0  0
 18 16  1  0  0  0  0
 19 16  2  0  0  0  0
 20 14  1  0  0  0  0
 21 15  1  0  0  0  0
 22 19  1  0  0  0  0
 23 18  2  0  0  0  0
 24 22  2  0  0  0  0
 25 21  1  0  0  0  0
  3  4  1  0  0  0  0
 20 25  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (3,531)
3531

>  <Formula> (3,531)
C19H23N3O2S

>  <MolWeight> (3,531)
357.46982

>  <COMPOUND_NAME> (3,531)
WAY-359529

>  <BAR_CODE_NO> (3,531)
2570803

$$$$
WAY-359534
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    3.7210   -0.5334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7210    0.8080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5934   -1.1472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8244   -1.1472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5934    1.4390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8244    1.4390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5141   -0.5334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9141   -0.5334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5141    0.8080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9141    0.8080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3589   -1.2092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7687   -0.5334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9031   -1.1472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0066   -0.4851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9031   -2.4368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0066    0.8080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1342   -1.1472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1342    1.4390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8480    1.4908    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2135   -0.4851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2135    0.8080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3618    1.4908    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  2  0  0  0  0
 18 21  2  0  0  0  0
 21 22  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (3,532)
3532

>  <Formula> (3,532)
C18H14O4

>  <MolWeight> (3,532)
294.30136

>  <COMPOUND_NAME> (3,532)
WAY-359534

>  <BAR_CODE_NO> (3,532)
2570795

$$$$
WAY-359594
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
    4.6375   -2.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9167   -2.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3542   -2.7042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.2042   -2.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0667   -2.2875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6375   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4875   -2.7042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3542   -3.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0667   -3.9375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2042   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9167   -1.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7792   -2.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9167   -3.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2042   -3.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4875   -2.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7792   -3.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000   -3.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2042   -2.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9167   -3.9375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792   -2.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0667   -4.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6375   -3.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -1.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6375   -3.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3500   -3.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3542   -5.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6375   -4.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8  3  1  0  0  0  0
  9  8  1  0  0  0  0
 10 11  1  0  0  0  0
 11  6  2  0  0  0  0
 12  5  1  0  0  0  0
 13  2  1  0  0  0  0
 14 17  2  0  0  0  0
 15 12  1  0  0  0  0
 16 12  2  0  0  0  0
 17 16  1  0  0  0  0
 18 15  2  0  0  0  0
 19 14  1  0  0  0  0
 20  7  2  0  0  0  0
 21  9  2  0  0  0  0
 22  8  2  0  0  0  0
 23 10  1  0  0  0  0
 24 19  1  0  0  0  0
 25 23  2  0  0  0  0
 26 24  1  0  0  0  0
 27 28  2  0  0  0  0
 28 22  1  0  0  0  0
 10  4  2  0  0  0  0
 20 25  1  0  0  0  0
 27 21  1  0  0  0  0
 18 14  1  0  0  0  0
M  END
>  <Mol_ID> (3,533)
3533

>  <Formula> (3,533)
C23H21N3O2

>  <MolWeight> (3,533)
371.43174

>  <COMPOUND_NAME> (3,533)
WAY-359594

>  <BAR_CODE_NO> (3,533)
2570875

$$$$
WAY-359662
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    9.0542   -9.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8875   -9.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8417  -10.0750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2917   -8.7167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4542   -9.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5042   -8.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0625   -8.9167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3292  -10.2250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4125   -7.4792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7292   -9.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8167   -8.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6500   -8.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5792   -6.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2417   -9.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3292   -7.6375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8250   -6.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5792   -7.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4042   -8.9167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4125   -6.0542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1667   -6.7667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.0167  -10.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9167   -8.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3417   -6.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8292   -5.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  2  1  0  0  0  0
  8  1  1  0  0  0  0
  9 11  1  0  0  0  0
 10  8  2  0  0  0  0
 11 12  1  0  0  0  0
 12  7  1  0  0  0  0
 13 20  1  0  0  0  0
 14  5  2  0  0  0  0
 15  6  2  0  0  0  0
 16  9  1  0  0  0  0
 17  9  1  0  0  0  0
 18 11  2  0  0  0  0
 19 16  1  0  0  0  0
 20 17  1  0  0  0  0
 21  3  1  0  0  0  0
 22  4  1  0  0  0  0
 23 20  1  0  0  0  0
 24 19  1  0  0  0  0
  7 10  1  0  0  0  0
  4  6  1  0  0  0  0
 19 13  1  0  0  0  0
M  END
>  <Mol_ID> (3,534)
3534

>  <Formula> (3,534)
C15H21N5O4

>  <MolWeight> (3,534)
335.35834

>  <COMPOUND_NAME> (3,534)
WAY-359662

>  <BAR_CODE_NO> (3,534)
2570943

$$$$
WAY-359693
csChFnd80/06171916322D

 30 34  0  0  0  0  0  0  0  0999 V2000
    5.2625   -4.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2542   -4.1917    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.8750   -3.7417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6042   -6.1292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6042   -5.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9375   -6.1292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9375   -5.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6292   -3.7500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.6292   -3.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6042   -3.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9000   -4.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1667   -3.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8667   -3.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5042   -6.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9167   -3.6167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0792   -2.3917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0792   -2.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3000   -2.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7792   -2.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8917   -4.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2042   -5.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042   -4.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042   -4.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1917   -3.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7875   -3.7542    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.3042   -6.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2917   -7.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8792   -8.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8917   -7.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6792   -7.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  1  2  0  0  0  0
  8  2  1  0  0  0  0
  9  3  1  0  0  0  0
 10  3  1  0  0  0  0
 11  5  1  0  0  0  0
 12 10  1  0  0  0  0
 13  8  1  0  0  0  0
 14  6  1  0  0  0  0
 15 12  1  0  0  0  0
 16  9  2  0  0  0  0
 17 12  2  0  0  0  0
 18 15  1  0  0  0  0
 19 17  1  0  0  0  0
 20 11  1  0  0  0  0
 21 11  2  0  0  0  0
 22 23  2  0  0  0  0
 23 21  1  0  0  0  0
 24 20  2  0  0  0  0
 25 22  1  0  0  0  0
 26 14  2  0  0  0  0
 27 14  1  0  0  0  0
 28 27  2  0  0  0  0
 29 26  1  0  0  0  0
 30 28  1  0  0  0  0
  4  6  1  0  0  0  0
 13  9  1  0  0  0  0
 24 22  1  0  0  0  0
 30 29  2  0  0  0  0
 19 18  2  0  0  0  0
M  END
>  <Mol_ID> (3,535)
3535

>  <Formula> (3,535)
C23H18FN3O2S

>  <MolWeight> (3,535)
419.4713232

>  <COMPOUND_NAME> (3,535)
WAY-359693

>  <BAR_CODE_NO> (3,535)
2570968

$$$$
WAY-359727
csChFnd80/06171916322D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -0.8000    1.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000    1.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458    1.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458    0.9625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833    1.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833    1.0458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833    1.5625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4000    1.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833    1.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458    2.1833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8000    1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3000    1.7458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0208    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9833    1.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3833    1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4208    1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  5  2  0  0  0  0
  9  7  1  0  0  0  0
 10  3  2  0  0  0  0
 11  8  1  0  0  0  0
 12  7  1  0  0  0  0
 13 11  1  0  0  0  0
 14 11  2  0  0  0  0
 15 14  1  0  0  0  0
 16 13  2  0  0  0  0
 17 15  2  0  0  0  0
  8  6  1  0  0  0  0
  4  9  2  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (3,536)
3536

>  <Formula> (3,536)
C12H9N3OS

>  <MolWeight> (3,536)
243.28436

>  <COMPOUND_NAME> (3,536)
WAY-359727

>  <BAR_CODE_NO> (3,536)
2571000

$$$$
WAY-359824
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
    4.6375   -6.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4667   -6.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2125   -4.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2167   -5.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6167   -3.6375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2417   -7.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3875   -4.3542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8792   -5.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8917   -7.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6292   -5.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000   -2.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3542   -1.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9375   -0.7792    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3667   -2.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6042   -2.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9417   -2.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1792   -1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4792   -7.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7042   -5.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4542   -5.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7250   -7.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8917   -8.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1167   -5.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8625   -4.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1375   -7.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7250   -8.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6875   -4.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3 10  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  2  0  0  0  0
  7  3  2  0  0  0  0
  8  2  1  0  0  0  0
  9  2  1  0  0  0  0
 10  4  1  0  0  0  0
 11  5  1  0  0  0  0
 12 17  1  0  0  0  0
 13 12  1  0  0  0  0
 14 11  2  0  0  0  0
 15 11  1  0  0  0  0
 16 14  1  0  0  0  0
 17 15  2  0  0  0  0
 18  9  1  0  0  0  0
 19  8  2  0  0  0  0
 20  8  1  0  0  0  0
 21  9  2  0  0  0  0
 22 18  2  0  0  0  0
 23 19  1  0  0  0  0
 24 20  2  0  0  0  0
 25 21  1  0  0  0  0
 26 25  2  0  0  0  0
 27 24  1  0  0  0  0
 22 26  1  0  0  0  0
 27 23  2  0  0  0  0
 16 12  2  0  0  0  0
M  END
>  <Mol_ID> (3,537)
3537

>  <Formula> (3,537)
C22H18FNO3

>  <MolWeight> (3,537)
363.3816232

>  <COMPOUND_NAME> (3,537)
WAY-359824

>  <BAR_CODE_NO> (3,537)
2570360

$$$$
WAY-359847
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
    8.3792   -6.6292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.0042   -5.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3792   -5.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1292   -6.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1250   -5.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5042   -5.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2542   -5.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1250   -5.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8917   -7.1542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6542   -6.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8792   -5.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0042   -4.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7542   -4.6792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6875   -4.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5000   -4.6792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2542   -4.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7500   -5.9792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9750   -4.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0417   -4.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2542   -5.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0417   -3.4542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5167   -7.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6917   -2.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6417   -6.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2667   -7.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  6  1  0  0  0  0
  6  4  1  0  0  0  0
  7  2  1  0  0  0  0
  8 11  1  0  0  0  0
  9  1  2  0  0  0  0
 10  1  2  0  0  0  0
 11  7  2  0  0  0  0
 12  3  1  0  0  0  0
 13  8  1  0  0  0  0
 14 19  1  0  0  0  0
 15  5  2  0  0  0  0
 16 11  1  0  0  0  0
 17  8  2  0  0  0  0
 18 14  2  0  0  0  0
 19 13  1  0  0  0  0
 20  6  2  0  0  0  0
 21 14  1  0  0  0  0
 22  4  2  0  0  0  0
 23 21  1  0  0  0  0
 24 25  2  0  0  0  0
 25 22  1  0  0  0  0
  5  3  1  0  0  0  0
 24 20  1  0  0  0  0
 12 16  2  0  0  0  0
M  END
>  <Mol_ID> (3,538)
3538

>  <Formula> (3,538)
C17H13NO6S

>  <MolWeight> (3,538)
359.35322

>  <COMPOUND_NAME> (3,538)
WAY-359847

>  <BAR_CODE_NO> (3,538)
2571080

$$$$
WAY-359917
csChFnd80/06171916322D

 22 23  0  0  0  0  0  0  0  0999 V2000
    4.3417   -1.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7667   -2.5875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3542   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7417   -1.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0167   -7.0625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.7792   -5.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0250   -6.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8292   -6.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3042   -7.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6917   -6.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5292   -3.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3625   -6.1625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6167   -5.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3667   -4.7292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7750   -4.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5792   -1.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5125   -1.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3167   -0.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9875   -0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0042   -1.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0875   -1.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4917   -0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  2  0  0  0  0
  5  8  1  0  0  0  0
  6 14  1  0  0  0  0
  7 13  1  0  0  0  0
  8  7  2  0  0  0  0
  9 10  2  0  0  0  0
 10  7  1  0  0  0  0
 11  3  2  0  0  0  0
 12  6  2  0  0  0  0
 13  6  1  0  0  0  0
 14 15  1  0  0  0  0
 15  3  1  0  0  0  0
 16  4  1  0  0  0  0
 17  1  1  0  0  0  0
 18  4  1  0  0  0  0
 19 16  1  0  0  0  0
 20 16  1  0  0  0  0
 21 17  2  0  0  0  0
 22 21  1  0  0  0  0
 18 22  2  0  0  0  0
  5  9  1  0  0  0  0
M  END
>  <Mol_ID> (3,539)
3539

>  <Formula> (3,539)
C17H19NO3S

>  <MolWeight> (3,539)
317.40266

>  <COMPOUND_NAME> (3,539)
WAY-359917

>  <BAR_CODE_NO> (3,539)
2571157

$$$$
WAY-359938
csChFnd80/06171916322D

 30 32  0  0  0  0  0  0  0  0999 V2000
    5.0250   -3.8750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.6375   -4.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5125   -5.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7667   -5.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4042   -3.2250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8917   -4.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792   -4.5167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0042   -5.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8792   -5.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6250   -5.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3750   -3.4917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6750   -4.2542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292   -2.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3917   -5.8125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7375   -3.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6750   -4.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6792   -3.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6167   -2.6667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167   -3.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792   -3.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1667   -1.9292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0292   -2.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1500   -3.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7625   -5.1875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -6.4625    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.6875   -2.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5292   -2.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4042   -1.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292   -1.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6792   -0.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  6  1  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  2  0  0  0  0
  7  4  1  0  0  0  0
  8  2  1  0  0  0  0
  9 10  1  0  0  0  0
 10  8  2  0  0  0  0
 11  1  2  0  0  0  0
 12  1  2  0  0  0  0
 13 17  1  0  0  0  0
 14  4  2  0  0  0  0
 15  7  1  0  0  0  0
 16  7  1  0  0  0  0
 17 19  1  0  0  0  0
 18 13  2  0  0  0  0
 19 16  1  0  0  0  0
 20 15  1  0  0  0  0
 21 27  1  0  0  0  0
 22  5  1  0  0  0  0
 23  5  1  0  0  0  0
 24  8  1  0  0  0  0
 25  9  1  0  0  0  0
 26 13  1  0  0  0  0
 27 23  1  0  0  0  0
 28 22  1  0  0  0  0
 29 26  1  0  0  0  0
 30 29  1  0  0  0  0
 28 21  1  0  0  0  0
  3  9  2  0  0  0  0
 20 17  1  0  0  0  0
M  END
>  <Mol_ID> (3,540)
3540

>  <Formula> (3,540)
C19H24Cl2N2O6S

>  <MolWeight> (3,540)
479.37466

>  <COMPOUND_NAME> (3,540)
WAY-359938

>  <BAR_CODE_NO> (3,540)
2571174

$$$$
WAY-380134
csChFnd80/06171916322D

 19 20  0  0  0  0  0  0  0  0999 V2000
    2.0417   -1.0917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3917   -1.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3375   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0375   -2.3167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792   -1.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1500   -2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5417   -3.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292   -2.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1000   -1.7167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.2542   -3.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4917   -2.9417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3875   -4.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5375   -4.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000   -4.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5042   -1.7292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4500   -2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2042   -2.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792   -0.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9625   -2.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6 16  1  0  0  0  0
  7 17  1  0  0  0  0
  8  5  2  0  0  0  0
  9  2  1  0  0  0  0
 10  7  1  0  0  0  0
 11  6  1  0  0  0  0
 12  7  2  0  0  0  0
 13 10  1  0  0  0  0
 14 12  1  0  0  0  0
 15  6  2  0  0  0  0
 16  9  1  0  0  0  0
 17 11  1  0  0  0  0
 18  3  1  0  0  0  0
 19  8  1  0  0  0  0
  8  4  1  0  0  0  0
 14 13  2  0  0  0  0
M  END
>  <Mol_ID> (3,541)
3541

>  <Formula> (3,541)
C12H13N3O3S

>  <MolWeight> (3,541)
279.31492

>  <COMPOUND_NAME> (3,541)
WAY-380134

>  <BAR_CODE_NO> (3,541)
2571415

$$$$
WAY-380153
csChFnd80/06171916322D

 17 18  0  0  0  0  0  0  0  0999 V2000
    2.0929    0.3296    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1515    0.8676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1032   -0.7566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0101    0.8813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2101    0.3296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1515    1.9434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0549   -1.2945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9756    0.3400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7106    0.8676    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9963   -0.7359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6520    0.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5933    0.8365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6520   -0.7807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5347    0.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5933   -1.3187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5347   -0.7807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4761   -1.3187    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
  8 10  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <Mol_ID> (3,542)
3542

>  <Formula> (3,542)
C12H14ClNO2S

>  <MolWeight> (3,542)
271.76306

>  <COMPOUND_NAME> (3,542)
WAY-380153

>  <BAR_CODE_NO> (3,542)
2571435

$$$$
WAY-380154
csChFnd80/06171916322D

 18 19  0  0  0  0  0  0  0  0999 V2000
    8.3750   -7.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7792   -7.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1500   -6.4792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.7875   -6.4792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8417   -8.7292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5542   -7.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3250   -6.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6667   -6.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6125   -7.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0167   -8.6375    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.8417   -6.4792    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.9125   -7.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9125   -5.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0792   -7.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0792   -5.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0000   -9.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6792   -9.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2792   -9.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  6  1  0  0  0  0
  4  1  2  0  0  0  0
  5 10  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8 15  2  0  0  0  0
  9  2  1  0  0  0  0
 10  9  1  0  0  0  0
 11  8  1  0  0  0  0
 12  7  1  0  0  0  0
 13  7  2  0  0  0  0
 14 12  2  0  0  0  0
 15 13  1  0  0  0  0
 16  5  1  0  0  0  0
 17 10  1  0  0  0  0
 18 17  1  0  0  0  0
 14  8  1  0  0  0  0
 18 16  1  0  0  0  0
M  END
>  <Mol_ID> (3,543)
3543

>  <Formula> (3,543)
C13H16ClNO2S

>  <MolWeight> (3,543)
285.78964

>  <COMPOUND_NAME> (3,543)
WAY-380154

>  <BAR_CODE_NO> (3,543)
2571436

$$$$
WAY-380163
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
    2.6375   -1.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2250   -0.7167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2250   -1.8667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5500   -0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5500   -1.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8917   -5.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4125   -1.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3500   -1.3000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.5375   -4.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7667   -2.5250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5292   -5.6292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7667   -1.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292   -2.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8167   -4.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8917   -3.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7042   -1.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167   -0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4792   -2.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6042   -5.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8250   -3.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167   -1.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4667   -3.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5417   -3.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3125   -0.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9625   -5.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  9  1  0  0  0  0
  7 17  1  0  0  0  0
  8  1  1  0  0  0  0
  9 16  1  0  0  0  0
 10  4  1  0  0  0  0
 11  7  1  0  0  0  0
 12  6  2  0  0  0  0
 13  7  2  0  0  0  0
 14  5  1  0  0  0  0
 15 23  1  0  0  0  0
 16 24  2  0  0  0  0
 17  8  1  0  0  0  0
 18 10  2  0  0  0  0
 19 11  1  0  0  0  0
 20  6  1  0  0  0  0
 21 19  1  0  0  0  0
 22 14  2  0  0  0  0
 23 21  2  0  0  0  0
 24 21  1  0  0  0  0
 25 18  1  0  0  0  0
 26 20  1  0  0  0  0
  5  4  2  0  0  0  0
 22 18  1  0  0  0  0
 15  9  2  0  0  0  0
M  END
>  <Mol_ID> (3,544)
3544

>  <Formula> (3,544)
C19H19N3O3S

>  <MolWeight> (3,544)
369.43746

>  <COMPOUND_NAME> (3,544)
WAY-380163

>  <BAR_CODE_NO> (3,544)
2571458

$$$$
WAY-380216
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
    5.4375   -2.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8542   -2.2000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.4417   -3.8125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6167   -3.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1542   -4.2292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6792   -2.1125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7750   -3.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5167   -1.4375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.8542   -1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1292   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2417   -5.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0542   -2.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6042   -0.9667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2625   -2.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0542   -2.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4375   -2.8417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5667   -5.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000   -5.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3250   -1.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2542   -2.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6417   -3.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0167   -3.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7000   -1.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6542   -6.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0875   -6.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7667   -0.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4125   -6.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9542   -1.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  2  0  0  0  0
  4  1  1  0  0  0  0
  5  7  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  2  0  0  0  0
  8  2  1  0  0  0  0
  9  6  1  0  0  0  0
 10  8  1  0  0  0  0
 11  5  1  0  0  0  0
 12  4  1  0  0  0  0
 13  9  2  0  0  0  0
 14  6  1  0  0  0  0
 15 14  1  0  0  0  0
 16 21  1  0  0  0  0
 17 11  2  0  0  0  0
 18 11  1  0  0  0  0
 19 12  2  0  0  0  0
 20 12  1  0  0  0  0
 21 15  1  0  0  0  0
 22 16  1  0  0  0  0
 23 20  2  0  0  0  0
 24 17  1  0  0  0  0
 25 18  2  0  0  0  0
 26 19  1  0  0  0  0
 27 25  1  0  0  0  0
 28 23  1  0  0  0  0
  3  5  1  0  0  0  0
  9 10  1  0  0  0  0
 26 28  2  0  0  0  0
 24 27  2  0  0  0  0
M  END
>  <Mol_ID> (3,545)
3545

>  <Formula> (3,545)
C22H23N3O2S

>  <MolWeight> (3,545)
393.50192

>  <COMPOUND_NAME> (3,545)
WAY-380216

>  <BAR_CODE_NO> (3,545)
2571520

$$$$
WAY-380244
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    6.4167   -4.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9875   -4.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7000   -4.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9875   -3.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8500   -6.9792    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.1375   -5.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7000   -3.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5542   -7.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4167   -3.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1292   -4.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8500   -6.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2667   -4.9167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2792   -6.9875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7000   -2.4375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.7000   -5.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5542   -8.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4167   -6.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1292   -7.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2792   -3.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4167   -6.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5500   -4.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8500   -8.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5542   -3.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8375   -9.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  2  0  0  0  0
  4  7  1  0  0  0  0
  5 11  1  0  0  0  0
  6 10  1  0  0  0  0
  7  9  2  0  0  0  0
  8  5  1  0  0  0  0
  9  1  1  0  0  0  0
 10  1  1  0  0  0  0
 11  6  1  0  0  0  0
 12  2  1  0  0  0  0
 13  8  2  0  0  0  0
 14  7  1  0  0  0  0
 15  3  1  0  0  0  0
 16  8  1  0  0  0  0
 17  6  1  0  0  0  0
 18 20  1  0  0  0  0
 19  4  1  0  0  0  0
 20 17  1  0  0  0  0
 21 12  2  0  0  0  0
 22 16  1  0  0  0  0
 23 19  2  0  0  0  0
 24 22  1  0  0  0  0
  4  2  2  0  0  0  0
  5 18  1  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (3,546)
3546

>  <Formula> (3,546)
C18H21ClN2O3

>  <MolWeight> (3,546)
348.82394

>  <COMPOUND_NAME> (3,546)
WAY-380244

>  <BAR_CODE_NO> (3,546)
2571546

$$$$
WAY-380402
csChFnd80/06171916322D

 34 37  0  0  0  0  0  0  0  0999 V2000
    5.1917   -5.7875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.5792   -4.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3000   -4.5042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5375   -5.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6667   -5.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2125   -3.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5667   -5.4500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2417   -5.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5500   -3.2917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8167   -6.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8542   -6.4167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5042   -3.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3875   -5.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1667   -4.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3167   -5.7542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2375   -2.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9542   -5.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7375   -4.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7542   -5.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8167   -5.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7500   -6.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4542   -4.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4750   -5.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5375   -5.0792    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3375   -5.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9750   -6.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3667   -6.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7292   -5.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2625   -3.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1875   -2.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292   -6.9167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6000   -2.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5167   -2.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5167   -6.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  8  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6 12  1  0  0  0  0
  7  1  1  0  0  0  0
  8  4  2  0  0  0  0
  9  6  1  0  0  0  0
 10  1  2  0  0  0  0
 11  1  2  0  0  0  0
 12 14  2  0  0  0  0
 13  5  1  0  0  0  0
 14  4  1  0  0  0  0
 15  5  2  0  0  0  0
 16 33  1  0  0  0  0
 17  7  1  0  0  0  0
 18 13  1  0  0  0  0
 19 13  2  0  0  0  0
 20 23  2  0  0  0  0
 21 27  2  0  0  0  0
 22 18  2  0  0  0  0
 23 19  1  0  0  0  0
 24 20  1  0  0  0  0
 25 17  1  0  0  0  0
 26 17  2  0  0  0  0
 27 26  1  0  0  0  0
 28 25  2  0  0  0  0
 29  9  1  0  0  0  0
 30  9  1  0  0  0  0
 31 21  1  0  0  0  0
 32 29  1  0  0  0  0
 33 30  1  0  0  0  0
 34 31  1  0  0  0  0
 21 28  1  0  0  0  0
  6  2  2  0  0  0  0
 16 32  1  0  0  0  0
 22 20  1  0  0  0  0
M  END
>  <Mol_ID> (3,547)
3547

>  <Formula> (3,547)
C24H24FN3O5S

>  <MolWeight> (3,547)
485.5278632

>  <COMPOUND_NAME> (3,547)
WAY-380402

>  <BAR_CODE_NO> (3,547)
2571699

$$$$
WAY-380407
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
    4.2417   -7.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4625   -8.6167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4250   -7.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0250   -7.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6417   -6.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2167   -2.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6792   -7.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2875   -8.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6292   -3.6042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2250   -4.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3917   -2.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2292   -5.7292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6292   -2.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4542   -6.4167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4042   -4.3167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2250   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6375   -5.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9792   -2.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4042   -1.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4667   -2.1917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9917   -6.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1542   -2.1667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917   -7.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5042   -7.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7167   -9.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8875   -1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7417   -1.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1542   -6.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667   -7.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9292   -8.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5417   -9.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  8  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  9  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9 10  1  0  0  0  0
 10 17  1  0  0  0  0
 11  6  1  0  0  0  0
 12  5  1  0  0  0  0
 13  6  2  0  0  0  0
 14  5  2  0  0  0  0
 15 10  2  0  0  0  0
 16 13  1  0  0  0  0
 17 12  1  0  0  0  0
 18 11  2  0  0  0  0
 19 16  2  0  0  0  0
 20 13  1  0  0  0  0
 21  3  1  0  0  0  0
 22 18  1  0  0  0  0
 23  4  1  0  0  0  0
 24  7  2  0  0  0  0
 25  8  2  0  0  0  0
 26 20  1  0  0  0  0
 27 22  1  0  0  0  0
 28 21  1  0  0  0  0
 29 28  1  0  0  0  0
 30 24  1  0  0  0  0
 31 30  2  0  0  0  0
  2  4  2  0  0  0  0
 31 25  1  0  0  0  0
 23 29  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (3,548)
3548

>  <Formula> (3,548)
C24H24N2O5

>  <MolWeight> (3,548)
420.45776

>  <COMPOUND_NAME> (3,548)
WAY-380407

>  <BAR_CODE_NO> (3,548)
2571713

$$$$
WAY-380424
csChFnd80/06171916322D

 13 14  0  0  0  0  0  0  0  0999 V2000
    1.2403   -0.5748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0011   -1.3437    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2610    0.8390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4713   -1.3092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2356   -0.5782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5196    1.5390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7161   -0.6196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2666    0.8459    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4632   -1.3161    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7472    0.8045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5252    1.5390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7149   -0.6230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7494    0.7977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
  7 10  2  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <Mol_ID> (3,549)
3549

>  <Formula> (3,549)
C10H12N2S

>  <MolWeight> (3,549)
192.28068

>  <COMPOUND_NAME> (3,549)
WAY-380424

>  <BAR_CODE_NO> (3,549)
2571727

$$$$
WAY-380429
csChFnd80/06171916322D

 23 24  0  0  0  0  0  0  0  0999 V2000
    0.8667  -22.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3000  -22.6667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6750  -22.7750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5917  -23.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917  -23.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2083  -22.6542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4875  -24.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8792  -23.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3792  -24.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708  -22.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833  -23.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667  -21.2125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8375  -23.3042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.8250  -22.0042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.3000  -24.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042  -23.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8917  -24.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1125  -24.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4042  -24.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7167  -25.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0667  -23.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1958  -21.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208  -23.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6 13  1  0  0  0  0
  7  8  1  0  0  0  0
  8  5  2  0  0  0  0
  9  7  1  0  0  0  0
 10  2  1  0  0  0  0
 11  2  1  0  0  0  0
 12  1  2  0  0  0  0
 13 11  1  0  0  0  0
 14 10  1  0  0  0  0
 15  9  2  0  0  0  0
 16  4  1  0  0  0  0
 17  4  1  0  0  0  0
 18  5  1  0  0  0  0
 19 20  1  0  0  0  0
 20 18  2  0  0  0  0
 21  9  1  0  0  0  0
 22 14  1  0  0  0  0
 23 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7 19  2  0  0  0  0
M  END
>  <Mol_ID> (3,550)
3550

>  <Formula> (3,550)
C19H28N2O2

>  <MolWeight> (3,550)
316.43782

>  <COMPOUND_NAME> (3,550)
WAY-380429

>  <BAR_CODE_NO> (3,550)
2571739

$$$$
WAY-380762
csChFnd80/06171916322D

 29 31  0  0  0  0  0  0  0  0999 V2000
   -3.4250   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9958   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4250   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7125   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2833    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9958   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1417    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5708   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0042    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2833    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7167    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2875    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0042    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1458   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5750    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7125   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1458    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5750    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2875   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4292    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7167    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8583   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1458    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9958   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4292    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1417    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1417    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  2  1  0  0  0  0
  6  3  2  0  0  0  0
  7  4  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
 10 14  1  0  0  0  0
 11  5  2  0  0  0  0
 12 10  1  0  0  0  0
 13 20  1  0  0  0  0
 14 21  2  0  0  0  0
 15  8  2  0  0  0  0
 16  1  1  0  0  0  0
 17 15  1  0  0  0  0
 18  4  1  0  0  0  0
 19  3  1  0  0  0  0
 20 17  2  0  0  0  0
 21 17  1  0  0  0  0
 22 12  1  0  0  0  0
 23 12  2  0  0  0  0
 24 16  1  0  0  0  0
 25 19  1  0  0  0  0
 26 18  1  0  0  0  0
 27 23  1  0  0  0  0
 28 22  2  0  0  0  0
 29 27  2  0  0  0  0
  2  6  1  0  0  0  0
 13 10  2  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (3,551)
3551

>  <Formula> (3,551)
C23H22N2O4

>  <MolWeight> (3,551)
390.43178

>  <COMPOUND_NAME> (3,551)
WAY-380762

>  <BAR_CODE_NO> (3,551)
2568909

$$$$
WAY-380844
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -1.0958    0.7208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5750    1.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5750    0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3583    0.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3583    1.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3792   -0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042   -0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208    2.1708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208   -0.7375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6167   -1.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667   -1.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4417   -1.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0750   -0.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0750    1.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1417    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6167    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4417    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8542   -0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8542   -2.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7875    1.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7875    0.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6 13  1  0  0  0  0
  7  6  1  0  0  0  0
  8  2  2  0  0  0  0
  9  3  2  0  0  0  0
 10  7  1  0  0  0  0
 11  6  2  0  0  0  0
 12  1  1  0  0  0  0
 13 17  1  0  0  0  0
 14 10  2  0  0  0  0
 15  4  1  0  0  0  0
 16  5  1  0  0  0  0
 17 12  1  0  0  0  0
 18  7  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 14  1  0  0  0  0
 22 16  2  0  0  0  0
 23 15  2  0  0  0  0
  4  5  2  0  0  0  0
 23 22  1  0  0  0  0
 20 14  1  0  0  0  0
M  END
>  <Mol_ID> (3,552)
3552

>  <Formula> (3,552)
C18H15NO4

>  <MolWeight> (3,552)
309.316

>  <COMPOUND_NAME> (3,552)
WAY-380844

>  <BAR_CODE_NO> (3,552)
2568263

$$$$
WAY-380960
csChFnd80/06171916322D

 28 30  0  0  0  0  0  0  0  0999 V2000
   -1.4656   -0.8487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2173   -0.3452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4621   -1.7797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208   -0.4314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1346    0.5823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0380   -0.7280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2449   -2.2487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6484   -2.2349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0344   -0.8763    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7139    0.4927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8897    1.1099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8001   -0.1970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2346   -3.1728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6346   -3.1487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6206   -0.2556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7208    0.7168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4277   -3.6211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4379   -0.5521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8827    0.1858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3861    1.0134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7861    0.1996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8413    1.8341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2482    1.0341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7654    1.8479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2241    2.6548    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6792    3.4582    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4206    3.1099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0275    2.1996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 11 16  2  0  0  0  0
 13 17  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 25 28  2  0  0  0  0
 12 16  1  0  0  0  0
 14 17  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (3,553)
3553

>  <Formula> (3,553)
C22H22N2O3S

>  <MolWeight> (3,553)
394.48668

>  <COMPOUND_NAME> (3,553)
WAY-380960

>  <BAR_CODE_NO> (3,553)
2568926

$$$$
WAY-381080
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.5833    0.8833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0625    1.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0625    0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458    0.4708    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.8458    1.2958    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.2417    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542    0.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8083    2.3333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8083   -0.5750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792    0.1625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417   -0.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2750    0.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2750    1.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8917   -0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7167   -1.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5625    0.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5625    1.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1292   -2.6917    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7167   -0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792   -1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1292   -1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8917   -1.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  2  2  0  0  0  0
  9  3  2  0  0  0  0
 10  7  1  0  0  0  0
 11  7  2  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 10  1  0  0  0  0
 15 22  2  0  0  0  0
 16  4  1  0  0  0  0
 17  5  1  0  0  0  0
 18 15  1  0  0  0  0
 19 14  1  0  0  0  0
 20 14  2  0  0  0  0
 21 19  2  0  0  0  0
 22 20  1  0  0  0  0
  5  4  1  0  0  0  0
 13 12  2  0  0  0  0
 15 21  1  0  0  0  0
M  END
>  <Mol_ID> (3,554)
3554

>  <Formula> (3,554)
C16H15ClN2O3

>  <MolWeight> (3,554)
318.7549

>  <COMPOUND_NAME> (3,554)
WAY-381080

>  <BAR_CODE_NO> (3,554)
2568686

$$$$
WAY-381270
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
    1.1542   -0.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6417    0.2458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6417   -1.0917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250   -0.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250   -0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3833    0.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1417   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5583    0.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083    0.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292   -0.4250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7958    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208    1.0083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1458    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7958   -0.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6208    1.0083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208   -0.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1417    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3833    1.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833    0.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8542   -0.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5583    1.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8542   -0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5667   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6208   -0.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0333    0.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2792   -0.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9917   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  8  1  0  0  0  0
  7  4  1  0  0  0  0
  8 13  2  0  0  0  0
  9 19  1  0  0  0  0
 10  1  1  0  0  0  0
 11 18  1  0  0  0  0
 12  9  1  0  0  0  0
 13 12  1  0  0  0  0
 14  6  1  0  0  0  0
 15 11  1  0  0  0  0
 16  9  2  0  0  0  0
 17  5  1  0  0  0  0
 18 21  2  0  0  0  0
 19 10  1  0  0  0  0
 20  7  2  0  0  0  0
 21 13  1  0  0  0  0
 22 17  2  0  0  0  0
 23 20  1  0  0  0  0
 24 14  1  0  0  0  0
 25 15  1  0  0  0  0
 26 23  1  0  0  0  0
 27 26  1  0  0  0  0
  5  4  2  0  0  0  0
 20 22  1  0  0  0  0
  6 11  2  0  0  0  0
 25 24  1  0  0  0  0
M  END
>  <Mol_ID> (3,555)
3555

>  <Formula> (3,555)
C19H19N3O4S

>  <MolWeight> (3,555)
385.43686

>  <COMPOUND_NAME> (3,555)
WAY-381270

>  <BAR_CODE_NO> (3,555)
2568794

$$$$
WAY-381296
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
    1.8455    1.2108    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5830    0.4233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1788    1.6775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5288    1.2108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7788    0.4233    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1837    1.6233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6330    1.4608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0788   -0.2517    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.2455    0.9108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0330    1.1608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1788    2.5233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8920    1.2108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2080    1.9733    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6212   -0.8725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8920    0.3733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6212   -0.0392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6455    0.6108    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3420   -1.2767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3420   -2.1017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3337    1.2108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6170    1.6233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3337    0.3775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6337   -2.5225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0670   -2.5225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0712   -3.3267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6337   -3.3392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3545   -3.7517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  2  0  0  0  0
  7  1  1  0  0  0  0
  8  2  2  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11  3  2  0  0  0  0
 12  6  1  0  0  0  0
 13 10  2  0  0  0  0
 14 16  1  0  0  0  0
 15 12  1  0  0  0  0
 16 15  2  0  0  0  0
 17 10  1  0  0  0  0
 18 14  1  0  0  0  0
 19 18  1  0  0  0  0
 20 21  1  0  0  0  0
 21 12  2  0  0  0  0
 22 20  2  0  0  0  0
 23 19  1  0  0  0  0
 24 19  2  0  0  0  0
 25 24  1  0  0  0  0
 26 23  2  0  0  0  0
 27 25  2  0  0  0  0
  5  4  1  0  0  0  0
 16 22  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (3,556)
3556

>  <Formula> (3,556)
C20H17NO4S2

>  <MolWeight> (3,556)
399.48328

>  <COMPOUND_NAME> (3,556)
WAY-381296

>  <BAR_CODE_NO> (3,556)
2568553

$$$$
WAY-381328
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    5.9375   -4.8542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.6500   -5.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2042   -4.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -3.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1792   -3.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4500   -3.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0250   -3.2917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6375   -4.4167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9542   -5.6792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7792   -4.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5042   -4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0667   -6.0917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5667   -2.5167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3542   -4.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6417   -6.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4167   -2.4167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167   -3.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -2.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0667   -5.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3542   -6.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2750   -2.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000   -3.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4 10  1  0  0  0  0
  5  3  2  0  0  0  0
  6  5  1  0  0  0  0
  7  4  1  0  0  0  0
  8  1  2  0  0  0  0
  9  1  2  0  0  0  0
 10 11  2  0  0  0  0
 11  3  1  0  0  0  0
 12 20  1  0  0  0  0
 13 21  1  0  0  0  0
 14  2  1  0  0  0  0
 15  2  1  0  0  0  0
 16  6  1  0  0  0  0
 17  7  1  0  0  0  0
 18  7  1  0  0  0  0
 19 14  1  0  0  0  0
 20 15  1  0  0  0  0
 21 18  1  0  0  0  0
 22 17  1  0  0  0  0
  6  4  2  0  0  0  0
 19 12  1  0  0  0  0
 22 13  1  0  0  0  0
M  END
>  <Mol_ID> (3,557)
3557

>  <Formula> (3,557)
C14H21N3O4S

>  <MolWeight> (3,557)
327.39924

>  <COMPOUND_NAME> (3,557)
WAY-381328

>  <BAR_CODE_NO> (3,557)
2572713

$$$$
WAY-381361
csChFnd80/06171916322D

 28 30  0  0  0  0  0  0  0  0999 V2000
    9.2667   -9.8875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.7667   -8.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3500   -7.7667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5167   -6.3417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6917  -10.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8417   -9.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6000   -8.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1000   -5.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0167   -9.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9875   -9.4625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5542  -10.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5167   -7.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7500   -7.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1000   -7.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3375   -6.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3625   -9.1917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5042   -4.9125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2875  -11.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4792  -12.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4625  -11.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7042  -12.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3042  -12.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0542  -12.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0000   -7.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2500   -8.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2667   -5.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8292   -7.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0792  -13.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  1  0  0  0  0
  3  2  1  0  0  0  0
  4 15  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  9  1  0  0  0  0
  8  4  1  0  0  0  0
  9  6  2  0  0  0  0
 10  1  2  0  0  0  0
 11  1  2  0  0  0  0
 12  3  1  0  0  0  0
 13  3  1  0  0  0  0
 14 12  1  0  0  0  0
 15 13  1  0  0  0  0
 16  2  2  0  0  0  0
 17  8  2  0  0  0  0
 18  5  1  0  0  0  0
 19 22  1  0  0  0  0
 20 18  2  0  0  0  0
 21 18  1  0  0  0  0
 22 21  2  0  0  0  0
 23 20  1  0  0  0  0
 24 27  1  0  0  0  0
 25  6  1  0  0  0  0
 26  8  1  0  0  0  0
 27 25  2  0  0  0  0
 28 19  1  0  0  0  0
  7 24  2  0  0  0  0
 19 23  2  0  0  0  0
 14  4  1  0  0  0  0
M  END
>  <Mol_ID> (3,558)
3558

>  <Formula> (3,558)
C20H23N3O4S

>  <MolWeight> (3,558)
401.47932

>  <COMPOUND_NAME> (3,558)
WAY-381361

>  <BAR_CODE_NO> (3,558)
2571831

$$$$
WAY-381470
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
   12.5000   -7.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1292    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3000   -1.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3125   -5.2792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1375   -3.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8042    0.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6167   -1.2917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3542   -9.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8125   -7.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1417   -3.3292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2625   -1.2542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958    2.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2875   -1.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7875   -3.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8333    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0542   -9.2792    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -5.2750    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.7208    2.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6083   -1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1375    0.4500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3750    2.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4292    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8167  -11.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9667   -9.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5042  -11.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    4.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1042    2.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  7  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  2  1  0  0  0  0
  7 14  1  0  0  0  0
  8  1  1  0  0  0  0
  9  1  2  0  0  0  0
 10  3  2  0  0  0  0
 11  5  2  0  0  0  0
 12  6  2  0  0  0  0
 13  6  1  0  0  0  0
 14  5  1  0  0  0  0
 15 19  1  0  0  0  0
 16  8  1  0  0  0  0
 17  9  1  0  0  0  0
 18 12  1  0  0  0  0
 19 13  2  0  0  0  0
 20 15  1  0  0  0  0
 21  2  1  0  0  0  0
 22  2  1  0  0  0  0
 23 24  2  0  0  0  0
 24  9  1  0  0  0  0
 25  8  2  0  0  0  0
 26 21  1  0  0  0  0
 27 22  1  0  0  0  0
 23 25  1  0  0  0  0
 26 27  1  0  0  0  0
 15 18  2  0  0  0  0
M  END
>  <Mol_ID> (3,559)
3559

>  <Formula> (3,559)
C20H18Cl2FNO3

>  <MolWeight> (3,559)
410.2662232

>  <COMPOUND_NAME> (3,559)
WAY-381470

>  <BAR_CODE_NO> (3,559)
2571955

$$$$
WAY-381484
csChFnd80/06171916322D

 21 24  0  0  0  0  0  0  0  0999 V2000
    2.3167   -3.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5417   -2.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7292   -3.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4292   -3.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9667   -2.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6167   -3.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9042   -4.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3917   -2.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4417   -3.3042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7625   -3.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5292   -3.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2167   -2.4167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8417   -4.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1042   -4.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4125   -5.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0417   -5.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3667   -6.0750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.1500   -3.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042   -2.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4375   -3.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8  6  2  0  0  0  0
  9 10  1  0  0  0  0
 10  4  2  0  0  0  0
 11  7  1  0  0  0  0
 12  2  2  0  0  0  0
 13  7  2  0  0  0  0
 14 11  2  0  0  0  0
 15 13  1  0  0  0  0
 16 15  2  0  0  0  0
 17 15  1  0  0  0  0
 18  6  1  0  0  0  0
 19  8  1  0  0  0  0
 20 18  2  0  0  0  0
 21 20  1  0  0  0  0
  8  5  1  0  0  0  0
 21 19  2  0  0  0  0
 11  9  1  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <Mol_ID> (3,560)
3560

>  <Formula> (3,560)
C17H11BrN2O

>  <MolWeight> (3,560)
339.18604

>  <COMPOUND_NAME> (3,560)
WAY-381484

>  <BAR_CODE_NO> (3,560)
2571975

$$$$
WAY-381575
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
    4.1500   -3.3542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6542   -2.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3667   -3.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875   -2.0250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4125   -2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5542   -7.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6375   -3.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7292   -7.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7042   -8.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4917   -2.7375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.3667   -7.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9667   -8.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9500   -4.3792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0667   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1375   -2.9625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6875   -3.5417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4167   -6.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8042   -3.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7542   -5.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2667   -5.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9292   -5.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  2  0  0  0  0
  6 14  1  0  0  0  0
  7 18  1  0  0  0  0
  8 17  1  0  0  0  0
  9  6  1  0  0  0  0
 10  2  1  0  0  0  0
 11  8  1  0  0  0  0
 12  9  1  0  0  0  0
 13  7  1  0  0  0  0
 14 19  2  0  0  0  0
 15  7  2  0  0  0  0
 16  3  1  0  0  0  0
 17 21  2  0  0  0  0
 18 10  1  0  0  0  0
 19 20  1  0  0  0  0
 20 13  1  0  0  0  0
 21 19  1  0  0  0  0
  4  5  1  0  0  0  0
  8  6  2  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (3,561)
3561

>  <Formula> (3,561)
C12H13N5O3S

>  <MolWeight> (3,561)
307.32832

>  <COMPOUND_NAME> (3,561)
WAY-381575

>  <BAR_CODE_NO> (3,561)
2571987

$$$$
WAY-381577
csChFnd80/06171916322D

 22 25  0  0  0  0  0  0  0  0999 V2000
    3.1875   -1.1542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7000   -0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4875   -1.9167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.3042   -2.0417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5167   -0.6375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2417    0.1708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8167   -1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4167   -0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4542   -0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1500   -4.8500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0167   -2.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6167   -4.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6417   -1.5292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2917   -3.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2792   -2.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0792   -3.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042   -2.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8250   -3.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6875   -1.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542    0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9875   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0250    0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  2  2  0  0  0  0
  7  4  2  0  0  0  0
  8  1  1  0  0  0  0
  9  8  2  0  0  0  0
 10 12  3  0  0  0  0
 11  3  1  0  0  0  0
 12 16  1  0  0  0  0
 13  7  1  0  0  0  0
 14 11  1  0  0  0  0
 15 11  2  0  0  0  0
 16 17  2  0  0  0  0
 17 15  1  0  0  0  0
 18 14  2  0  0  0  0
 19  8  1  0  0  0  0
 20  9  1  0  0  0  0
 21 19  2  0  0  0  0
 22 21  1  0  0  0  0
  9  6  1  0  0  0  0
  5  7  1  0  0  0  0
 20 22  2  0  0  0  0
 18 16  1  0  0  0  0
M  END
>  <Mol_ID> (3,562)
3562

>  <Formula> (3,562)
C16H12N6

>  <MolWeight> (3,562)
288.30668

>  <COMPOUND_NAME> (3,562)
WAY-381577

>  <BAR_CODE_NO> (3,562)
2572008

$$$$
WAY-381581
csChFnd80/06171916322D

 18 19  0  0  0  0  0  0  0  0999 V2000
    2.2918   -0.0858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1228   -0.4375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3746    0.8142    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5159   -0.5444    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7159    0.2349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2539    1.0107    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7263   -0.1099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6159    0.1556    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0427   -0.5651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8289   -0.1341    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0289   -1.4686    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6082   -0.5893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3944   -0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4082    0.7487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1703   -0.6134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2013    1.1866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9599   -0.1755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9737    0.7245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
  5  6  2  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (3,563)
3563

>  <Formula> (3,563)
C11H13N5OS

>  <MolWeight> (3,563)
263.31882

>  <COMPOUND_NAME> (3,563)
WAY-381581

>  <BAR_CODE_NO> (3,563)
2572012

$$$$
WAY-381583
csChFnd80/06171916322D

 20 21  0  0  0  0  0  0  0  0999 V2000
    1.8917   -1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4917   -1.7417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4250   -0.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125   -0.8375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7417   -1.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1667   -1.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4292   -1.1375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4792   -1.2625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3792   -2.1667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6417   -1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9167   -4.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4917   -3.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2292   -4.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3875   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0167   -3.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1750   -4.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5917   -2.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1292   -5.0500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2792   -3.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6625   -5.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6 10  1  0  0  0  0
  7  1  1  0  0  0  0
  8  6  2  0  0  0  0
  9  6  1  0  0  0  0
 10  7  1  0  0  0  0
 11 14  1  0  0  0  0
 12 19  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 12  2  0  0  0  0
 16 12  1  0  0  0  0
 17  9  1  0  0  0  0
 18 11  1  0  0  0  0
 19 17  1  0  0  0  0
 20 18  1  0  0  0  0
  4  5  2  0  0  0  0
 13 11  2  0  0  0  0
M  END
>  <Mol_ID> (3,564)
3564

>  <Formula> (3,564)
C13H16N4O2S

>  <MolWeight> (3,564)
292.35674

>  <COMPOUND_NAME> (3,564)
WAY-381583

>  <BAR_CODE_NO> (3,564)
2572014

$$$$
WAY-381610
csChFnd80/06171916322D

 24 28  0  0  0  0  0  0  0  0999 V2000
    1.6075   -0.6304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6006   -1.2132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6248   -1.2132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0592   -1.6304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3248    0.6248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6006   -2.3580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6248   -2.3580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0592   -3.0270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7627    1.6179    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4868    0.6248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6075   -2.9201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5523   -3.2856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3442   -3.6408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6006    1.6179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0546    2.5454    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0546    0.6661    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1408    2.1730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1408    1.0385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1339    2.7558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1339    0.4489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1339    2.1730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1339    1.0385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1235    2.7558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1166    2.1972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  9 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
 17 18  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (3,565)
3565

>  <Formula> (3,565)
C19H22N2O2S

>  <MolWeight> (3,565)
342.45518

>  <COMPOUND_NAME> (3,565)
WAY-381610

>  <BAR_CODE_NO> (3,565)
2572059

$$$$
WAY-381693
csChFnd80/06171916322D

 24 27  0  0  0  0  0  0  0  0999 V2000
    6.3917   -2.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1167   -2.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1250   -3.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9125   -3.5042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.9042   -2.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4042   -3.6667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2250   -2.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4042   -2.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6917   -3.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6875   -2.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6417   -3.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6292   -2.1042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1625   -1.3792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2292   -4.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4667   -3.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4750   -4.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8875   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6417   -4.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8917   -5.6917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9792   -3.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9750   -2.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4917   -6.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542   -3.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542   -2.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  2  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  6  2  0  0  0  0
 10  8  2  0  0  0  0
 11  7  1  0  0  0  0
 12  7  2  0  0  0  0
 13  5  1  0  0  0  0
 14 11  2  0  0  0  0
 15 11  1  0  0  0  0
 16 17  1  0  0  0  0
 17 15  2  0  0  0  0
 18 14  1  0  0  0  0
 19 16  1  0  0  0  0
 20  9  1  0  0  0  0
 21 10  1  0  0  0  0
 22 19  1  0  0  0  0
 23 20  1  0  0  0  0
 24 21  1  0  0  0  0
  2  3  2  0  0  0  0
 18 16  2  0  0  0  0
  9 10  1  0  0  0  0
 24 23  1  0  0  0  0
M  END
>  <Mol_ID> (3,566)
3566

>  <Formula> (3,566)
C19H18N2O2S

>  <MolWeight> (3,566)
338.42342

>  <COMPOUND_NAME> (3,566)
WAY-381693

>  <BAR_CODE_NO> (3,566)
2572217

$$$$
WAY-381785
csChFnd80/06171916322D

 24 27  0  0  0  0  0  0  0  0999 V2000
    4.5917   -8.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5917   -7.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0250   -7.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0250   -8.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3125   -7.2542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.3125   -8.9042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7375   -7.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8125   -8.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3292   -8.0875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8125   -7.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7375   -8.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4542   -8.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4542   -7.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3125   -6.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7375   -6.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0292   -6.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6000   -6.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0292   -5.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6000   -5.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3125   -4.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5542   -6.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9250   -9.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2667   -8.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3042   -3.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  4  2  0  0  0  0
  4  6  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  1  1  0  0  0  0
  9  8  1  0  0  0  0
 10  2  1  0  0  0  0
 11  4  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14  5  1  0  0  0  0
 15  7  2  0  0  0  0
 16 14  1  0  0  0  0
 17 14  2  0  0  0  0
 18 16  2  0  0  0  0
 19 17  1  0  0  0  0
 20 19  2  0  0  0  0
 21 10  1  0  0  0  0
 22 12  1  0  0  0  0
 23 12  1  0  0  0  0
 24 20  1  0  0  0  0
 10  9  2  0  0  0  0
  5  3  1  0  0  0  0
 13  7  1  0  0  0  0
 20 18  1  0  0  0  0
M  END
>  <Mol_ID> (3,567)
3567

>  <Formula> (3,567)
C20H23N3O

>  <MolWeight> (3,567)
321.41612

>  <COMPOUND_NAME> (3,567)
WAY-381785

>  <BAR_CODE_NO> (3,567)
2572193

$$$$
WAY-381794
csChFnd80/06171916322D

 24 27  0  0  0  0  0  0  0  0999 V2000
    4.6667   -6.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9292   -6.6667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5750   -5.5042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.3917   -6.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3917   -7.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3542   -6.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7542   -5.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5542   -7.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1000   -6.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0875   -5.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5667   -8.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3417   -7.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1167   -7.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3625   -9.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8250   -8.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8292   -7.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8042   -5.0417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8542   -9.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1292   -8.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3667   -5.0667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5292   -6.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3292   -4.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000   -5.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042   -4.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8 16  1  0  0  0  0
  9  4  1  0  0  0  0
 10  9  1  0  0  0  0
 11 18  1  0  0  0  0
 12  8  1  0  0  0  0
 13  5  1  0  0  0  0
 14 11  1  0  0  0  0
 15 12  1  0  0  0  0
 16 13  2  0  0  0  0
 17 10  2  0  0  0  0
 18 19  2  0  0  0  0
 19 13  1  0  0  0  0
 20 10  1  0  0  0  0
 21  6  2  0  0  0  0
 22  7  2  0  0  0  0
 23 21  1  0  0  0  0
 24 22  1  0  0  0  0
  7  6  1  0  0  0  0
 24 23  2  0  0  0  0
 11  8  2  0  0  0  0
 15 14  1  0  0  0  0
M  END
>  <Mol_ID> (3,568)
3568

>  <Formula> (3,568)
C18H13NO4S

>  <MolWeight> (3,568)
339.36512

>  <COMPOUND_NAME> (3,568)
WAY-381794

>  <BAR_CODE_NO> (3,568)
2572214

$$$$
WAY-381882
csChFnd80/06171916322D

 32 36  0  0  0  0  0  0  0  0999 V2000
   11.3917   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9667   -8.4667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7167   -7.4292    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.3750   -4.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1375   -5.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1542   -4.5042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1542   -5.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9542   -7.8167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.7167   -9.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6792   -8.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0167   -7.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9417   -9.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1292   -3.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4292   -5.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3042  -10.7542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7417   -7.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0875   -8.4792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6542   -6.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9292   -4.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3375   -2.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1167   -6.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0292   -3.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0917   -6.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7792   -8.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0167   -5.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7292   -5.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2917   -1.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9125   -3.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4042   -6.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3125   -3.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1125   -2.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -4.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  1  2  0  0  0  0
  8  3  1  0  0  0  0
  9  2  1  0  0  0  0
 10  2  1  0  0  0  0
 11 10  1  0  0  0  0
 12  8  1  0  0  0  0
 13  6  1  0  0  0  0
 14  5  1  0  0  0  0
 15  9  2  0  0  0  0
 16 11  2  0  0  0  0
 17 16  1  0  0  0  0
 18 11  1  0  0  0  0
 19 13  1  0  0  0  0
 20 13  2  0  0  0  0
 21 14  2  0  0  0  0
 22 14  1  0  0  0  0
 23 16  1  0  0  0  0
 24 17  1  0  0  0  0
 25 18  2  0  0  0  0
 26 25  1  0  0  0  0
 27 20  1  0  0  0  0
 28 19  2  0  0  0  0
 29 21  1  0  0  0  0
 30 22  2  0  0  0  0
 31 27  2  0  0  0  0
 32 30  1  0  0  0  0
  4  6  1  0  0  0  0
  9 12  1  0  0  0  0
 29 32  2  0  0  0  0
 31 28  1  0  0  0  0
 26 23  2  0  0  0  0
M  END
>  <Mol_ID> (3,569)
3569

>  <Formula> (3,569)
C26H23N3O2S

>  <MolWeight> (3,569)
441.54472

>  <COMPOUND_NAME> (3,569)
WAY-381882

>  <BAR_CODE_NO> (3,569)
2572310

$$$$
WAY-381904
csChFnd80/06171916322D

 33 36  0  0  0  0  0  0  0  0999 V2000
    2.0292    1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3625    1.8500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.2792    1.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6917    2.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1042    1.0625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.1500    2.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2417    2.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7542    1.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7917    0.3958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667    2.9083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6917    3.1583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3167    2.9083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292    1.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5417    1.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667    3.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9750    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3375    3.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1333    3.7750    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208    2.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542    3.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458    4.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208    2.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5875    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7125    2.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1542    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6417    1.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9375    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4917    2.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1750    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1125    2.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6625    0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  6  1  0  0  0  0
  9  3  1  0  0  0  0
 10  7  1  0  0  0  0
 11  4  2  0  0  0  0
 12  6  2  0  0  0  0
 13  7  2  0  0  0  0
 14  8  1  0  0  0  0
 15 10  1  0  0  0  0
 16  9  1  0  0  0  0
 17 21  2  0  0  0  0
 18 17  1  0  0  0  0
 19 15  1  0  0  0  0
 20 15  2  0  0  0  0
 21 20  1  0  0  0  0
 22 19  2  0  0  0  0
 23  8  1  0  0  0  0
 24 14  1  0  0  0  0
 25 14  2  0  0  0  0
 26 16  1  0  0  0  0
 27 16  2  0  0  0  0
 28 25  1  0  0  0  0
 29 24  2  0  0  0  0
 30 27  1  0  0  0  0
 31 26  2  0  0  0  0
 32 28  2  0  0  0  0
 33 30  2  0  0  0  0
  5  2  1  0  0  0  0
 22 17  1  0  0  0  0
 31 33  1  0  0  0  0
 29 32  1  0  0  0  0
M  END
>  <Mol_ID> (3,570)
3570

>  <Formula> (3,570)
C25H21ClN4O2S

>  <MolWeight> (3,570)
476.97784

>  <COMPOUND_NAME> (3,570)
WAY-381904

>  <BAR_CODE_NO> (3,570)
2572343

$$$$
WAY-382380
csChFnd80/06171916322D

 33 36  0  0  0  0  0  0  0  0999 V2000
   -0.5083    0.5958    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2292    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1625    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292    3.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4375    3.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0875   -0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7292   -2.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0958   -1.8917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8625   -0.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8542   -1.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9167    2.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2792   -4.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5875   -2.7042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2125    5.1167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1375   -5.9750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7875    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7625  -10.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7625   -4.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2042   -2.8625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9250  -10.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7542   -9.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4625   -4.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9917   -7.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5792  -12.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3083    5.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8292   -7.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0375   -9.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1375    2.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6375  -13.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -12.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0833    5.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0083    3.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  6  1  0  0  0  0
  6  4  1  0  0  0  0
  7  2  1  0  0  0  0
  8 11  1  0  0  0  0
  9  1  2  0  0  0  0
 10  1  2  0  0  0  0
 11  7  2  0  0  0  0
 12  3  1  0  0  0  0
 13 23  1  0  0  0  0
 14  8  1  0  0  0  0
 15  5  2  0  0  0  0
 16 13  1  0  0  0  0
 17 11  1  0  0  0  0
 18 21  2  0  0  0  0
 19  8  2  0  0  0  0
 20 13  2  0  0  0  0
 21 28  1  0  0  0  0
 22 27  2  0  0  0  0
 23 14  1  0  0  0  0
 24 16  1  0  0  0  0
 25 18  1  0  0  0  0
 26  6  2  0  0  0  0
 27 24  1  0  0  0  0
 28 24  2  0  0  0  0
 29  4  2  0  0  0  0
 30 25  1  0  0  0  0
 31 25  1  0  0  0  0
 32 33  2  0  0  0  0
 33 29  1  0  0  0  0
  5  3  1  0  0  0  0
 32 26  1  0  0  0  0
 17 12  2  0  0  0  0
 22 18  1  0  0  0  0
M  END
>  <Mol_ID> (3,571)
3571

>  <Formula> (3,571)
C25H21NO6S

>  <MolWeight> (3,571)
463.50234

>  <COMPOUND_NAME> (3,571)
WAY-382380

>  <BAR_CODE_NO> (3,571)
2572727

$$$$
WAY-382088
csChFnd80/06171916322D

 24 27  0  0  0  0  0  0  0  0999 V2000
    3.7917   -4.7167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9750   -6.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7625   -7.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8667   -7.3125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4750  -10.2875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8917   -5.3042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6792  -12.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7167   -8.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9625   -6.3542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.4542  -10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4375   -2.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1667  -13.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7250   -8.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8917   -6.8792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8750  -12.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8000  -12.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1250   -1.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4167   -2.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7667  -15.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3917  -14.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8750  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0542   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7167    0.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  6  2  0  0  0  0
  5  8  1  0  0  0  0
  6  1  1  0  0  0  0
  7  5  1  0  0  0  0
  8 13  1  0  0  0  0
  9  2  1  0  0  0  0
 10  5  1  0  0  0  0
 11  1  1  0  0  0  0
 12  7  2  0  0  0  0
 13  9  1  0  0  0  0
 14  8  2  0  0  0  0
 15 10  1  0  0  0  0
 16  7  1  0  0  0  0
 17 11  1  0  0  0  0
 18 11  2  0  0  0  0
 19 12  1  0  0  0  0
 20 16  2  0  0  0  0
 21 20  1  0  0  0  0
 22 17  2  0  0  0  0
 23 18  1  0  0  0  0
 24 23  2  0  0  0  0
  4  3  1  0  0  0  0
 24 22  1  0  0  0  0
 15 12  1  0  0  0  0
 21 19  2  0  0  0  0
M  END
>  <Mol_ID> (3,572)
3572

>  <Formula> (3,572)
C17H15N5OS

>  <MolWeight> (3,572)
337.3989

>  <COMPOUND_NAME> (3,572)
WAY-382088

>  <BAR_CODE_NO> (3,572)
2572526

$$$$
WAY-382151
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -2.2865    0.3616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0969   -0.4384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5865    0.7788    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0382    0.5995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2762   -0.5005    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6658   -0.9764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9658    0.2616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6210    0.0478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4382   -0.7453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1969    0.4788    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3790   -0.0867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1342    0.1133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1790   -0.8764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7031   -0.4212    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4825   -0.2177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6790    0.5616    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1583   -0.6453    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4928    0.6236    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1618    1.2029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8031   -0.1212    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  6  9  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
  5  7  1  0  0  0  0
  8  9  1  0  0  0  0
 18 20  2  0  0  0  0
M  END
>  <Mol_ID> (3,573)
3573

>  <Formula> (3,573)
C11H10N6OS2

>  <MolWeight> (3,573)
306.3667

>  <COMPOUND_NAME> (3,573)
WAY-382151

>  <BAR_CODE_NO> (3,573)
2572598

$$$$
WAY-382159
csChFnd80/06171916322D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -3.3206   -0.2027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3206    0.3248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8758   -0.4648    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7689   -0.4648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4275    0.3248    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7689    0.5904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4275   -0.2027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2137   -0.2027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2137    0.3248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8206   -0.2027    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2102    0.0835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0344   -0.2027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5760   -0.2027    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0344    0.3869    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4692    0.0835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6449   -0.2027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0899   -0.4648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6449    0.3248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5381   -0.2027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0899    0.5904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5381    0.3248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9830   -0.4648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4312    0.3248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4312   -0.2027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  6  9  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
  5  7  2  0  0  0  0
  8  9  1  0  0  0  0
 20 21  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (3,574)
3574

>  <Formula> (3,574)
C17H15N3O3S

>  <MolWeight> (3,574)
341.3843

>  <COMPOUND_NAME> (3,574)
WAY-382159

>  <BAR_CODE_NO> (3,574)
2572676

$$$$
WAY-382170
csChFnd80/06171916322D

 25 26  0  0  0  0  0  0  0  0999 V2000
    6.9292   -9.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5542   -9.4250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7167   -8.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3500   -9.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9167   -8.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3375   -8.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6917   -7.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5542  -10.4417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5375   -8.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5375   -7.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3125   -7.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9042   -7.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3250   -7.6250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2792   -6.6542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9542   -8.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7375   -9.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9792  -10.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3167   -6.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9000   -6.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0542   -4.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6250   -4.2792    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.2792   -5.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2667   -4.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7000   -6.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6875   -5.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  2  0  0  0  0
  6  2  1  0  0  0  0
  7  5  1  0  0  0  0
  8  4  2  0  0  0  0
  9  6  2  0  0  0  0
 10 13  1  0  0  0  0
 11  3  1  0  0  0  0
 12  7  1  0  0  0  0
 13 12  1  0  0  0  0
 14  7  2  0  0  0  0
 15 10  2  0  0  0  0
 16  1  1  0  0  0  0
 17  2  1  0  0  0  0
 18 10  1  0  0  0  0
 19 18  1  0  0  0  0
 20 23  2  0  0  0  0
 21 20  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
 24 19  1  0  0  0  0
 25 19  2  0  0  0  0
  5  6  1  0  0  0  0
 22 20  1  0  0  0  0
M  END
>  <Mol_ID> (3,575)
3575

>  <Formula> (3,575)
C16H16BrN3O5

>  <MolWeight> (3,575)
410.21934

>  <COMPOUND_NAME> (3,575)
WAY-382170

>  <BAR_CODE_NO> (3,575)
2572687

$$$$
WAY-382198
csChFnd80/06171916322D

 28 32  0  0  0  0  0  0  0  0999 V2000
   -3.4333    4.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9333    3.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3583    4.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5125    4.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0583    1.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4375    4.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8458    3.0583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0208    5.1792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3208    1.7375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5208    4.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4958    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0958    5.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5958    4.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1958    0.6250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5500    4.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2833    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1458    2.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8833    2.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0208    1.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3583    0.9708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2333   -0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6458    0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3833   -0.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708    5.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1083    4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5583    5.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0750    5.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  9  1  0  0  0  0
  6  3  2  0  0  0  0
  7  2  1  0  0  0  0
  8  4  1  0  0  0  0
  9 18  1  0  0  0  0
 10  2  2  0  0  0  0
 11  5  1  0  0  0  0
 12  4  1  0  0  0  0
 13 12  2  0  0  0  0
 14 11  1  0  0  0  0
 15  3  1  0  0  0  0
 16  7  1  0  0  0  0
 17  7  1  0  0  0  0
 18 17  1  0  0  0  0
 19 16  1  0  0  0  0
 20  5  2  0  0  0  0
 21 11  2  0  0  0  0
 22 14  1  0  0  0  0
 23 21  1  0  0  0  0
 24 15  1  0  0  0  0
 25 15  2  0  0  0  0
 26 25  1  0  0  0  0
 27 24  2  0  0  0  0
 28 26  2  0  0  0  0
  6  8  1  0  0  0  0
 13 10  1  0  0  0  0
  9 19  1  0  0  0  0
 27 28  1  0  0  0  0
 23 22  2  0  0  0  0
M  END
>  <Mol_ID> (3,576)
3576

>  <Formula> (3,576)
C21H18N4O2S

>  <MolWeight> (3,576)
390.45822

>  <COMPOUND_NAME> (3,576)
WAY-382198

>  <BAR_CODE_NO> (3,576)
2572844

$$$$
WAY-382314
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
    0.1542   -0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667   -0.9292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1500   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958   -0.0792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042   -2.4792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4875   -1.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833   -2.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000    0.4625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2500   -0.5667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9958   -2.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8958    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042   -2.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458   -1.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2958   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7958   -1.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500   -3.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9833   -3.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8958    0.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208    1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8500   -3.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1542   -1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458    2.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4333    1.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1792   -1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8542   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9958    2.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5292   -2.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  2  0  0  0  0
  7  3  1  0  0  0  0
  8  4  2  0  0  0  0
  9  4  2  0  0  0  0
 10 16  1  0  0  0  0
 11  4  1  0  0  0  0
 12  6  1  0  0  0  0
 13  7  1  0  0  0  0
 14  7  1  0  0  0  0
 15 13  1  0  0  0  0
 16 14  1  0  0  0  0
 17 10  1  0  0  0  0
 18 11  1  0  0  0  0
 19 11  2  0  0  0  0
 20 12  1  0  0  0  0
 21 12  2  0  0  0  0
 22 19  1  0  0  0  0
 23 18  2  0  0  0  0
 24 21  1  0  0  0  0
 25 20  2  0  0  0  0
 26 22  2  0  0  0  0
 27 24  2  0  0  0  0
  5  6  1  0  0  0  0
 10 15  1  0  0  0  0
 26 23  1  0  0  0  0
 27 25  1  0  0  0  0
M  END
>  <Mol_ID> (3,577)
3577

>  <Formula> (3,577)
C20H21N3O3S

>  <MolWeight> (3,577)
383.46404

>  <COMPOUND_NAME> (3,577)
WAY-382314

>  <BAR_CODE_NO> (3,577)
2572899

$$$$
WAY-382490-A
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -0.4028    0.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4028   -0.1007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717    1.0889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2697    1.0889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2697   -0.4869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717   -0.4869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7441    0.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9386    0.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9386   -0.1007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2697   -1.2869    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7441   -0.1007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4131    1.1131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6110    1.1131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6110   -0.4869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4407   -0.5111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1096    0.7269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2800   -0.1007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6110   -1.2593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1372   -0.1007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7821    1.1372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9524   -0.4869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2800   -1.6455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7545    1.9131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4510    0.7786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9524   -1.2593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7007   -0.2524    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7007   -1.4938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1386   -0.8973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 14 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  2  0  0  0  0
 20 23  1  0  0  0  0
 20 24  2  0  0  0  0
 21 25  2  0  0  0  0
 21 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  2  0  0  0  0
 22 25  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (3,578)
3578

>  <Formula> (3,578)
C21H18O7

>  <MolWeight> (3,578)
382.36342

>  <COMPOUND_NAME> (3,578)
WAY-382490-A

>  <BAR_CODE_NO> (3,578)
2570756

$$$$
WL-9092
csChFnd80/06171916322D

 13 13  0  0  0  0  0  0  0  0999 V2000
    0.5629    0.1132    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   -0.1847   -1.2569    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.5064    1.2152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8407   -0.6910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5369    1.3106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6859   -0.9502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6463   -2.7283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2331   -1.8646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8973    0.5719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0351    0.2859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3955    0.2204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3977    2.0343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5050    1.7365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  2  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
  6  9  1  0  0  0  0
M  END
>  <Mol_ID> (3,579)
3579

>  <Formula> (3,579)
C8H17O4P

>  <MolWeight> (3,579)
208.191941

>  <COMPOUND_NAME> (3,579)
WL-9092

>  <BAR_CODE_NO> (3,579)
2569049

$$$$
WAY-311474
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
    3.0724   -0.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7000    0.4552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4310    0.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0586   -1.8966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7000    2.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3759   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0724    2.7966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8034   -0.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4552   -2.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9862    0.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3759   -1.9207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8034   -1.9448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3448   -0.2414    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7138    0.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0724   -0.2069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7138    2.1690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4724    0.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0724   -1.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4724    2.1690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  6 10  1  0  0  0  0
  6 11  2  0  0  0  0
  8 12  2  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
  5  7  1  0  0  0  0
  9 12  1  0  0  0  0
 17 19  2  0  0  0  0
M  END
>  <Mol_ID> (3,580)
3580

>  <Formula> (3,580)
C13H14N4OS

>  <MolWeight> (3,580)
274.34146

>  <COMPOUND_NAME> (3,580)
WAY-311474

>  <BAR_CODE_NO> (3,580)
3915863

$$$$
WAY-313141
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
    1.0241    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0034    0.6310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1517    0.4138    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7276    2.0310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8138    1.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1379   -0.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6724    1.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3241    2.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8103    0.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1276   -0.8103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7241    0.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9621    2.8517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9586   -0.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9483   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1897   -1.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9724   -0.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4621   -2.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2414   -1.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4897   -2.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7724   -3.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  2  0  0  0  0
  9 13  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 19 20  1  0  0  0  0
  7  8  1  0  0  0  0
 10 13  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (3,581)
3581

>  <Formula> (3,581)
C16H18N2OS

>  <MolWeight> (3,581)
286.39192

>  <COMPOUND_NAME> (3,581)
WAY-313141

>  <BAR_CODE_NO> (3,581)
3917944

$$$$
WAY-311173
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
    1.7875    1.0208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7500   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6000   -0.5542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292    1.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0625    0.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7375   -0.8792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2833    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2500    2.5625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083   -0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1375   -1.3292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1208   -0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500   -1.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5167    0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1292   -2.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9583   -1.6042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9125   -2.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3125   -1.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7042   -0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3292   -2.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1833   -2.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  2  1  0  0  0  0
  7  5  2  0  0  0  0
  8  4  2  0  0  0  0
  9  7  1  0  0  0  0
 10 19  1  0  0  0  0
 11  9  2  0  0  0  0
 12 11  1  0  0  0  0
 13  6  1  0  0  0  0
 14  6  1  0  0  0  0
 15 12  1  0  0  0  0
 16 17  2  0  0  0  0
 17  9  1  0  0  0  0
 18 13  1  0  0  0  0
 19 14  1  0  0  0  0
 20 16  1  0  0  0  0
  3  5  1  0  0  0  0
 18 10  1  0  0  0  0
 12 20  2  0  0  0  0
M  END
>  <Mol_ID> (3,582)
3582

>  <Formula> (3,582)
C14H14N2O3S

>  <MolWeight> (3,582)
290.33756

>  <COMPOUND_NAME> (3,582)
WAY-311173

>  <BAR_CODE_NO> (3,582)
3915535

$$$$
WAY-313201
csChFnd80/06171916322D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -0.0448   -0.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2483   -0.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8034   -1.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3379    0.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0690   -0.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0310   -1.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5552    0.7966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6828    1.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3207   -0.0414    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4034   -0.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8690   -2.2034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6966    1.8931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4621    1.5966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7069    1.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6310    0.1448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -3.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9069    1.5448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0034    1.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  6 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  1  0  0  0  0
  7 10  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <Mol_ID> (3,583)
3583

>  <Formula> (3,583)
C12H12N2O3S

>  <MolWeight> (3,583)
264.30028

>  <COMPOUND_NAME> (3,583)
WAY-313201

>  <BAR_CODE_NO> (3,583)
3918025

$$$$
WAY-312919
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    0.8138    0.9828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4966    0.7828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2345    0.5414    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5966    1.6655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6345    0.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9759    1.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3655    0.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1241    1.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3448   -0.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6828    1.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0483    0.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5379    2.2655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8448    0.4034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1862    0.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6552   -0.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8655   -0.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -1.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0034   -0.9103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4759   -1.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2552   -1.6172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6172   -2.0828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3862   -2.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3000   -2.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  2  0  0  0  0
  9 13  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
  7  8  1  0  0  0  0
 10 13  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (3,584)
3584

>  <Formula> (3,584)
C16H18N2O4S

>  <MolWeight> (3,584)
334.39012

>  <COMPOUND_NAME> (3,584)
WAY-312919

>  <BAR_CODE_NO> (3,584)
3917657

$$$$
WAY-313293
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    0.4690   -0.6241    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.4724   -1.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4690    0.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3862   -1.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4724   -2.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3931   -0.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4724    0.9759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3862    0.9759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3862   -2.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3276   -0.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4690   -2.7655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3931   -2.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3138   -1.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4724    2.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3862    2.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3276   -2.7862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2690   -0.0655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3138   -2.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4690    2.5759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4138    2.5966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2517   -2.7862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4690    3.6552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4138    3.6759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4621    4.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  2  0  0  0  0
  7 14  1  0  0  0  0
  8 15  2  0  0  0  0
  9 16  1  0  0  0  0
 10 17  3  0  0  0  0
 12 18  2  0  0  0  0
 14 19  2  0  0  0  0
 14 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 22 24  1  0  0  0  0
  9 11  1  0  0  0  0
 13 18  1  0  0  0  0
 15 19  1  0  0  0  0
M  END
>  <Mol_ID> (3,585)
3585

>  <Formula> (3,585)
C18H16N2O4

>  <MolWeight> (3,585)
324.33064

>  <COMPOUND_NAME> (3,585)
WAY-313293

>  <BAR_CODE_NO> (3,585)
3918152

$$$$
WAY-312784
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -1.6966   -0.9207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4345   -0.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3862   -1.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0862   -1.3931    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6862   -0.2414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8862    0.3483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4759   -1.9517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4655   -0.9828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2552    0.3586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1241   -2.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9241   -2.5034    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1931   -1.2828    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4862    0.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0241   -3.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2759   -3.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9138    0.8966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6552    0.7966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6034    1.5690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1034    1.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8448    1.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8241    2.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3138    1.8793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2759    2.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0241    2.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4759    3.1586    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
  5  8  1  0  0  0  0
 14 15  2  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (3,586)
3586

>  <Formula> (3,586)
C17H13FN2O2S3

>  <MolWeight> (3,586)
392.4907232

>  <COMPOUND_NAME> (3,586)
WAY-312784

>  <BAR_CODE_NO> (3,586)
3917492

$$$$
WAY-229695
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
    3.5038    9.7822    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7460    6.3594    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3157   10.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6447   10.5384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5645    5.6303    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1520   11.8884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7544   11.8884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5038    8.3846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3493    6.2987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9966    7.5612    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4954    5.1646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5848    4.2194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3157    7.6961    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.7999    3.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3493    3.4835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9140    7.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6321    1.3841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7999    2.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3764    2.0658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1206    8.3713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6928    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.0624   10.3289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9181   10.1670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0227   13.0023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7823   12.8404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9537   11.3418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4810   12.7256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3917   12.5637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.2405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  9  1  0  0  0  0
  6  4  2  0  0  0  0
  7  3  2  0  0  0  0
  8  1  1  0  0  0  0
  9 13  1  0  0  0  0
 10  2  2  0  0  0  0
 11  2  2  0  0  0  0
 12  5  1  0  0  0  0
 13  8  1  0  0  0  0
 14 12  1  0  0  0  0
 15 12  2  0  0  0  0
 16  2  1  0  0  0  0
 17 19  2  0  0  0  0
 18 14  2  0  0  0  0
 19 15  1  0  0  0  0
 20 13  1  0  0  0  0
 21 17  1  0  0  0  0
 22  4  1  0  0  0  0
 23  3  1  0  0  0  0
 24  6  1  0  0  0  0
 25  7  1  0  0  0  0
 26 22  2  0  0  0  0
 27 26  1  0  0  0  0
 28 29  1  0  0  0  0
 29 23  2  0  0  0  0
  6  7  1  0  0  0  0
 24 27  2  0  0  0  0
 25 28  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (3,587)
3587

>  <Formula> (3,587)
C22H21FN2O3S

>  <MolWeight> (3,587)
412.4771432

>  <COMPOUND_NAME> (3,587)
WAY-229695

>  <BAR_CODE_NO> (3,587)
3916887

$$$$
WAY-312790
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.8276    0.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3897    0.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2483    0.4103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7483    1.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4655   -0.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9103    0.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1586    0.8655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1276    1.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0483   -0.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4655    0.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7897    0.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5483   -0.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0345    0.2276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1138   -0.3207    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.6517    0.1483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9103   -0.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5345   -0.9517    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4897   -0.6517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8897   -1.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4724   -1.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9724   -1.6517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  9 12  2  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
  7  8  2  0  0  0  0
 10 12  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (3,588)
3588

>  <Formula> (3,588)
C14H10BrN3O2S

>  <MolWeight> (3,588)
364.2171

>  <COMPOUND_NAME> (3,588)
WAY-312790

>  <BAR_CODE_NO> (3,588)
3917498

$$$$
WAY-311972
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
    0.0112    0.1818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5752    0.4758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4903    0.6078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0112   -0.3912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0673    0.1818    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6683    1.0728    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3133    1.0998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4658    0.4758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4658   -0.7062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0513    0.4158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9878   -0.3912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9878    0.1818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5128   -0.7062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0408   -0.3912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5752   -0.7062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4773    0.8388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5688   -0.7062    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5128    0.4758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0408    0.1818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3813    1.4268    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.2163   -0.0972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0938   -0.3912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5688   -1.2822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0383    0.6768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7923   -0.2952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5858   -0.7062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0408   -1.6092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2033    0.0858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  5  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  2  2  0  0  0  0
  7  6  1  0  0  0  0
  1  8  2  0  0  0  0
  9  4  1  0  0  0  0
 10  3  1  0  0  0  0
 11 12  2  0  0  0  0
 12  8  1  0  0  0  0
 13 11  1  0  0  0  0
 14 19  1  0  0  0  0
 15  4  2  0  0  0  0
 16 10  1  0  0  0  0
 17 14  1  0  0  0  0
 18 12  1  0  0  0  0
 18 19  2  0  0  0  0
 20 16  1  0  0  0  0
 10 21  2  0  0  0  0
 22 17  1  0  0  0  0
 23 17  1  0  0  0  0
 24 16  2  0  0  0  0
 25 21  1  0  0  0  0
 26 22  1  0  0  0  0
 27 23  1  0  0  0  0
 25 28  2  0  0  0  0
  9 11  1  0  0  0  0
  3  7  2  0  0  0  0
 14 13  2  0  0  0  0
 24 28  1  0  0  0  0
M  END
>  <Mol_ID> (3,589)
3589

>  <Formula> (3,589)
C21H18BrN3O3

>  <MolWeight> (3,589)
440.28992

>  <COMPOUND_NAME> (3,589)
WAY-311972

>  <BAR_CODE_NO> (3,589)
3916518

$$$$
WAY-344060
csChFnd80/06171916322D

 35 39  0  0  0  0  0  0  0  0999 V2000
    6.7417  -12.0125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2792  -14.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2542  -13.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4542  -12.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1667  -13.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2792  -15.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4417  -10.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1667  -16.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0417  -14.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0417  -15.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7375   -9.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6417  -13.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7500  -10.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4375   -9.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3417  -13.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5292  -13.4917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6042  -11.1667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3500  -11.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2917  -14.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6917  -12.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4167   -8.8417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6917  -14.4625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6292  -15.5625    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.8375   -9.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4667  -15.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3000  -12.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9125  -13.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8792   -8.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5667   -8.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9125  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5792  -14.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6000  -12.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792  -14.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792  -15.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2500  -13.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  6  2  0  0  0  0
  9  5  1  0  0  0  0
 10  9  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13  7  1  0  0  0  0
 14 13  2  0  0  0  0
 15 20  1  0  0  0  0
 16  3  2  0  0  0  0
 17  4  2  0  0  0  0
 18 11  1  0  0  0  0
 19 12  2  0  0  0  0
 20 18  1  0  0  0  0
 21 11  2  0  0  0  0
 22 15  2  0  0  0  0
 23 19  1  0  0  0  0
 24  7  2  0  0  0  0
 25  6  1  0  0  0  0
 26 12  1  0  0  0  0
 27  9  1  0  0  0  0
 28 29  2  0  0  0  0
 29 24  1  0  0  0  0
 30 10  1  0  0  0  0
 31 19  1  0  0  0  0
 32 26  2  0  0  0  0
 33 27  2  0  0  0  0
 34 33  1  0  0  0  0
 35 32  1  0  0  0  0
  2  5  2  0  0  0  0
 14 28  1  0  0  0  0
  8 10  1  0  0  0  0
 34 30  2  0  0  0  0
 31 35  2  0  0  0  0
M  END
>  <Mol_ID> (3,590)
3590

>  <Formula> (3,590)
C27H17ClN2O5

>  <MolWeight> (3,590)
484.88728

>  <COMPOUND_NAME> (3,590)
WAY-344060

>  <BAR_CODE_NO> (3,590)
2554230

$$$$
WAY-344201
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
    6.0750   -3.4667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6917   -4.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5167   -4.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1667   -4.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4417   -5.0917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8292   -3.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1167   -5.5667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3542   -3.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7792   -5.0792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3792   -3.7292    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.9750   -4.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2042   -3.6417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.6417   -3.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9917   -3.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5542   -4.8417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9917   -2.3292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9292   -3.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3542   -2.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2125   -3.4625    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.6417   -4.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6417   -1.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9292   -2.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8167   -3.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6500   -2.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1250   -2.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2917   -3.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9500   -2.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 12  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  2  0  0  0  0
  6  1  1  0  0  0  0
  7  5  1  0  0  0  0
  8  1  1  0  0  0  0
  9  3  1  0  0  0  0
 10  6  1  0  0  0  0
 11  4  1  0  0  0  0
 12 10  1  0  0  0  0
 13  8  2  0  0  0  0
 14  3  1  0  0  0  0
 15  4  2  0  0  0  0
 16  6  2  0  0  0  0
 17 13  1  0  0  0  0
 18  8  1  0  0  0  0
 19 17  1  0  0  0  0
 20 13  1  0  0  0  0
 21 18  2  0  0  0  0
 22 21  1  0  0  0  0
 23 14  2  0  0  0  0
 24 14  1  0  0  0  0
 25 24  2  0  0  0  0
 26 23  1  0  0  0  0
 27 25  1  0  0  0  0
 11 10  1  0  0  0  0
 22 17  2  0  0  0  0
  7  9  2  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <Mol_ID> (3,591)
3591

>  <Formula> (3,591)
C18H14ClN5O2S

>  <MolWeight> (3,591)
399.85406

>  <COMPOUND_NAME> (3,591)
WAY-344201

>  <BAR_CODE_NO> (3,591)
2554487

$$$$
WAY-312858
csChFnd80/06171916322D

 23 24  0  0  0  0  0  0  0  0999 V2000
    0.4346    0.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1725    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5068   -0.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4484    0.1448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9033    1.5759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8553    2.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3413    0.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6967   -0.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4792    2.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8967    2.1793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4932    3.3517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3827    0.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9173   -1.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7311   -1.1828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5553    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0896   -1.2448    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5967    2.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8896   -1.9483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6654   -2.9724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9033   -1.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4654   -3.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6930   -2.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4792   -3.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  2  0  0  0  0
 10 15  1  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
  5  7  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (3,592)
3592

>  <Formula> (3,592)
C17H19NO3S2

>  <MolWeight> (3,592)
349.46766

>  <COMPOUND_NAME> (3,592)
WAY-312858

>  <BAR_CODE_NO> (3,592)
3917582

$$$$
WAY-218621
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
    3.6512    2.8264    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8566    2.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6512    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8566    0.7023    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0913    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3142    0.7023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4401    2.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4401    0.7023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3761    2.7676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5253    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1765    2.1007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0913    2.8264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3142    2.1007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5872    2.0540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1765    0.7023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9185    2.8028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7249    0.7023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3761    4.1603    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7249    2.1007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9536    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2111    2.8264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2111    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1298    4.8626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9360    4.1603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  8  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9 11  1  0  0  0  0
 10  6  1  0  0  0  0
 11 15  2  0  0  0  0
 12  2  2  0  0  0  0
 13  6  2  0  0  0  0
 14  9  2  0  0  0  0
 15 20  1  0  0  0  0
 16 19  2  0  0  0  0
 17 10  1  0  0  0  0
 18  9  1  0  0  0  0
 19 17  1  0  0  0  0
 20 17  2  0  0  0  0
 21  7  2  0  0  0  0
 22  8  2  0  0  0  0
 23 18  1  0  0  0  0
 24 23  1  0  0  0  0
 25 21  1  0  0  0  0
 26 25  2  0  0  0  0
  3  4  1  0  0  0  0
 26 22  1  0  0  0  0
 16 11  1  0  0  0  0
M  END
>  <Mol_ID> (3,593)
3593

>  <Formula> (3,593)
C19H18N2O4S

>  <MolWeight> (3,593)
370.42222

>  <COMPOUND_NAME> (3,593)
WAY-218621

>  <BAR_CODE_NO> (3,593)
3916384

$$$$
WAY-313088
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    0.9897    1.3276    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.6276    0.7655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7759    1.9621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6552    1.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0241    0.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8379    0.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3172    2.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8448    1.9793    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2310    0.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4310    1.3103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3069   -0.2517    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4759   -0.0345    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5276    1.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1690    2.5345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8828    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0828   -0.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7448   -0.7724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6448   -1.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9552   -1.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8448   -1.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4931   -1.9207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6724   -2.5655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3103   -2.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2103   -3.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
  8 13  2  0  0  0  0
  8 14  2  0  0  0  0
  9 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
  7  8  1  0  0  0  0
  9 11  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (3,594)
3594

>  <Formula> (3,594)
C16H18N2O3S3

>  <MolWeight> (3,594)
382.52072

>  <COMPOUND_NAME> (3,594)
WAY-313088

>  <BAR_CODE_NO> (3,594)
3917880

$$$$
WAY-113178
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -0.5377   -1.1996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2998   -1.7962    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8653   -0.3134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4347   -1.1651    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2791   -2.7272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0895   -1.2513    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1515    0.3004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8136   -0.3134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6830   -0.2341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0791   -3.2513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4515   -3.1651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3515    0.4521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5623    0.0866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0308   -4.1858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3998   -4.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7347    1.0038    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2692   -0.5134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1998   -4.6134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0105    1.6245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1485    2.5728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1347    1.2866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4347    3.1521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0105    2.9521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6308    1.8866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4653    2.8142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1105    3.8866    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7485    2.4038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3623    4.4349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  2  0  0  0  0
 13 16  1  0  0  0  0
 13 17  2  0  0  0  0
 14 18  2  0  0  0  0
 16 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  2  0  0  0  0
 22 25  2  0  0  0  0
 23 26  1  0  0  0  0
 23 27  2  0  0  0  0
 26 28  1  0  0  0  0
  6  8  2  0  0  0  0
  7  9  2  0  0  0  0
 15 18  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (3,595)
3595

>  <Formula> (3,595)
C21H17N3O3S

>  <MolWeight> (3,595)
391.44298

>  <COMPOUND_NAME> (3,595)
WAY-113178

>  <BAR_CODE_NO> (3,595)
3916339

$$$$
WAY-312619
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -2.6866    0.6277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8487   -0.3827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9314    2.0794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9797    0.4035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5452   -0.1585    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2970   -1.6033    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0797    1.0656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5970    3.3553    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4245   -0.8068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5797   -1.8206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2686    1.0656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7176   -1.0413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0176   -3.0585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4927    1.7277    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5824   -0.0792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1521   -2.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3176   -3.2827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7030    1.0415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9065    1.7277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7030   -0.3413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1065    1.0415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9065    3.1277    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.9065   -1.0344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4927   -1.0344    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.1065   -0.3413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  2  0  0  0  0
 20 24  1  0  0  0  0
 21 25  2  0  0  0  0
  5  7  1  0  0  0  0
  9 10  2  0  0  0  0
 16 17  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (3,596)
3596

>  <Formula> (3,596)
C18H15Cl2N3OS

>  <MolWeight> (3,596)
392.3022

>  <COMPOUND_NAME> (3,596)
WAY-312619

>  <BAR_CODE_NO> (3,596)
3917279

$$$$
WAY-312590
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -1.6308   -0.1712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6308   -1.1057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7446    0.1115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4342    0.3012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7446   -1.3954    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4342   -1.5781    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1998   -0.6574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4480    1.0046    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2515   -0.1712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2515   -1.1057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7382   -0.6574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1377    0.1115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1377   -1.3954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2071    0.1529    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2071   -1.4781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6756   -0.6574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1451    0.1529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6071    0.9563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6071   -0.6747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5416    0.9563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1451    1.7598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5416   -0.6747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0140    0.1529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9451    2.2288    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.3589    1.2874    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6623    2.5460    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12 16  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 21 25  1  0  0  0  0
 21 26  1  0  0  0  0
  5  7  1  0  0  0  0
  9 10  1  0  0  0  0
 13 16  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (3,597)
3597

>  <Formula> (3,597)
C18H14F3N3OS

>  <MolWeight> (3,597)
377.3834696

>  <COMPOUND_NAME> (3,597)
WAY-312590

>  <BAR_CODE_NO> (3,597)
3917250

$$$$
WAY-340005
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -1.3208   -0.2000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208    0.1458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208   -0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000   -0.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6625    0.4208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5000   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458   -0.2167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.0833   -0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208   -1.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0833   -1.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5000   -1.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6625   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208   -1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4375   -1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6625   -1.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2208   -0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4375   -1.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208   -1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2208   -1.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458   -2.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  1  2  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8  6  2  0  0  0  0
  9  3  2  0  0  0  0
 10 11  2  0  0  0  0
 11  9  1  0  0  0  0
 12  7  1  0  0  0  0
 13  8  1  0  0  0  0
 14  7  1  0  0  0  0
 15 12  2  0  0  0  0
 16 12  1  0  0  0  0
 17 10  1  0  0  0  0
 18 13  2  0  0  0  0
 19 16  2  0  0  0  0
 20 15  1  0  0  0  0
 21 17  2  0  0  0  0
 22 19  1  0  0  0  0
  8 10  1  0  0  0  0
 18 21  1  0  0  0  0
 20 22  2  0  0  0  0
M  END
>  <Mol_ID> (3,598)
3598

>  <Formula> (3,598)
C18H17NO2S

>  <MolWeight> (3,598)
311.39808

>  <COMPOUND_NAME> (3,598)
WAY-340005

>  <BAR_CODE_NO> (3,598)
2555166

$$$$
WAY-344254-A
csChFnd80/06171916322D

 14 15  0  0  0  0  0  0  0  0999 V2000
    1.6774   -0.1505    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6153   -1.0850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0567   -0.4643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5463    1.2529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7226   -0.6298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7843    0.7529    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6187   -1.7643    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8463    1.8150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9985    0.7529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7882   -1.5678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3433    1.2046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1330   -1.1126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4088    0.2702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7502    0.7253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  9 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
  6  8  1  0  0  0  0
 12 13  2  0  0  0  0
M  END
>  <Mol_ID> (3,599)
3599

>  <Formula> (3,599)
C11H12N2S

>  <MolWeight> (3,599)
204.29138

>  <COMPOUND_NAME> (3,599)
WAY-344254-A

>  <BAR_CODE_NO> (3,599)
2554636

$$$$
WAY-312674
csChFnd80/06171916322D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -0.2379    0.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9379    0.5241    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.5828    0.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1897   -0.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9379    1.2759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6690    0.0448    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3483    0.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5828   -1.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4069    1.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4069    0.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3483   -0.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1483   -1.1862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7828   -0.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <Mol_ID> (3,600)
3600

>  <Formula> (3,600)
C10H13NOS

>  <MolWeight> (3,600)
195.28132

>  <COMPOUND_NAME> (3,600)
WAY-312674

>  <BAR_CODE_NO> (3,600)
3917336

$$$$
WAY-313187
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.6931   -0.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5828   -1.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0931    0.8621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5172   -0.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9241   -1.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1310   -2.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4310    1.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1483    1.8241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3759    0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3241    0.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7724   -2.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9966   -3.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5483    3.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9552    1.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7379    0.1138    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.3241   -3.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0517    2.1621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6897    1.8241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1552    1.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4759    1.8103    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  0  0  0  0
 11 16  2  0  0  0  0
 14 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  1  0  0  0  0
 19 20  2  0  0  0  0
  7 10  1  0  0  0  0
 12 16  1  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (3,601)
3601

>  <Formula> (3,601)
C15H11NO2S2

>  <MolWeight> (3,601)
301.38334

>  <COMPOUND_NAME> (3,601)
WAY-313187

>  <BAR_CODE_NO> (3,601)
3918001

$$$$
WAY-311801
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -1.1828    1.2655    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.1966    1.2655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9793    0.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6172    2.6172    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9828    0.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6207    2.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4172   -1.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3552    0.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4966    3.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3586    0.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9207    3.0931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2034   -2.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1655   -0.8793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1552   -0.8828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9724    1.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5966   -2.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6172   -3.5276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5552   -0.7828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3655    1.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4172   -3.2586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2345   -3.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1552    0.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
 10 14  2  0  0  0  0
 10 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 17  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  2  0  0  0  0
  6  9  1  0  0  0  0
 13 16  2  0  0  0  0
 19 22  1  0  0  0  0
M  END
>  <Mol_ID> (3,602)
3602

>  <Formula> (3,602)
C17H17NO3S

>  <MolWeight> (3,602)
315.38678

>  <COMPOUND_NAME> (3,602)
WAY-311801

>  <BAR_CODE_NO> (3,602)
3916305

$$$$
WAY-311458
csChFnd80/06171916322D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -2.5824   -0.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4617   -1.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6963   -1.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5583    0.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3479   -0.4379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4686   -2.3690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8134   -0.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6720    1.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7694   -1.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7894    0.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9004   -0.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9031    1.5448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0142   -1.1207    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8927    2.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1349   -0.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1383    0.7931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2349   -1.1483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2728    1.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3487   -0.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3728    0.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
  8 10  2  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (3,603)
3603

>  <Formula> (3,603)
C15H16N2O2S

>  <MolWeight> (3,603)
288.36474

>  <COMPOUND_NAME> (3,603)
WAY-311458

>  <BAR_CODE_NO> (3,603)
3915847

$$$$
WAY-344234
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
    7.6167   -6.4417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1500   -6.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0042   -7.8875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.6042   -4.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8125   -9.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5542  -11.9375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6667   -3.3375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.7542  -10.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3500  -13.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3792   -9.2417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2167   -7.2542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1042   -4.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5792   -2.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0292  -10.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5792  -14.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0750   -2.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5167   -9.2250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1667  -10.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4292   -5.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9917  -14.6792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4417   -7.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0917   -6.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9042  -13.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3667  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1792  -13.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7000  -14.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9292  -15.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  8  1  0  0  0  0
  7  4  1  0  0  0  0
  8 18  1  0  0  0  0
  9  6  1  0  0  0  0
 10  5  1  0  0  0  0
 11  2  2  0  0  0  0
 12  4  2  0  0  0  0
 13  7  1  0  0  0  0
 14  5  2  0  0  0  0
 15  9  2  0  0  0  0
 16 12  1  0  0  0  0
 17  8  2  0  0  0  0
 18 10  1  0  0  0  0
 19  1  1  0  0  0  0
 20 15  1  0  0  0  0
 21  3  1  0  0  0  0
 22 19  1  0  0  0  0
 23  9  1  0  0  0  0
 24 15  1  0  0  0  0
 25 20  1  0  0  0  0
 26 23  2  0  0  0  0
 27 26  1  0  0  0  0
 21 22  1  0  0  0  0
 13 16  2  0  0  0  0
 24 27  2  0  0  0  0
M  END
>  <Mol_ID> (3,604)
3604

>  <Formula> (3,604)
C19H20N2O5S

>  <MolWeight> (3,604)
388.4375

>  <COMPOUND_NAME> (3,604)
WAY-344234

>  <BAR_CODE_NO> (3,604)
2554583

$$$$
WAY-225588
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
    2.0609    2.4756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7067    2.4883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.7155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7321    4.9089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7620    3.7155    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.1243    4.9089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7083    1.2441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3727    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0381    6.1149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8085    6.1149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1556    3.7155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0127    1.2568    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7702    7.3731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8665    4.9215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8665    2.4756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1117    7.3731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0719    8.6553    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2926    4.9215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2673    2.4883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9274    3.7155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3070    3.7155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  6  2  0  0  0  0
  5  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  3  0  0  0  0
  9  4  1  0  0  0  0
 10  6  1  0  0  0  0
 11  5  1  0  0  0  0
 12  2  1  0  0  0  0
 13 16  1  0  0  0  0
 14 11  1  0  0  0  0
 15 11  2  0  0  0  0
 16 10  2  0  0  0  0
 17 13  1  0  0  0  0
 18 14  2  0  0  0  0
 19 15  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
  3  4  1  0  0  0  0
 20 18  1  0  0  0  0
 13  9  2  0  0  0  0
M  END
>  <Mol_ID> (3,605)
3605

>  <Formula> (3,605)
C17H15N3O

>  <MolWeight> (3,605)
277.3205

>  <COMPOUND_NAME> (3,605)
WAY-225588

>  <BAR_CODE_NO> (3,605)
3916668

$$$$
WAY-313584
csChFnd80/06171916322D

 23 24  0  0  0  0  0  0  0  0999 V2000
   -0.4759   -0.0483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1000    0.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8759    0.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1000    0.6310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3000   -0.0483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8759    0.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2759   -0.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4759    0.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6552    0.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4759    1.2931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1000   -0.0483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.6310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6552    0.6310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0379   -0.0483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1000   -0.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2759    0.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4966   -0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6966   -0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4966   -1.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9000   -0.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6828   -1.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1000   -1.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  2  0  0  0  0
  9 12  1  0  0  0  0
  9 13  2  0  0  0  0
 10 14  1  0  0  0  0
 10 15  2  0  0  0  0
 12 16  1  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  2  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
  6  8  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (3,606)
3606

>  <Formula> (3,606)
C15H17N5O3

>  <MolWeight> (3,606)
315.32718

>  <COMPOUND_NAME> (3,606)
WAY-313584

>  <BAR_CODE_NO> (3,606)
1363228

$$$$
WAY-312602
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -0.3828   -0.7759    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.5690   -1.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3828    0.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8310   -1.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5690   -2.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9862   -1.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8310    1.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5828    1.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8414   -2.8655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0414   -0.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3690   -3.5655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7828   -3.5690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9862   -2.8690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3172   -0.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8310    2.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5828    2.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0414   -3.5655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2448   -1.4690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6172   -1.5207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3828    3.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0310    3.3966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2448    2.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4552    3.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4552    4.7897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6586    2.7034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8 16  2  0  0  0  0
  9 17  1  0  0  0  0
 10 18  3  0  0  0  0
 14 19  1  0  0  0  0
 15 20  2  0  0  0  0
 15 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
  9 11  1  0  0  0  0
 12 13  1  0  0  0  0
 16 20  1  0  0  0  0
M  END
>  <Mol_ID> (3,607)
3607

>  <Formula> (3,607)
C17H17N5O3

>  <MolWeight> (3,607)
339.34858

>  <COMPOUND_NAME> (3,607)
WAY-312602

>  <BAR_CODE_NO> (3,607)
3917262

$$$$
WAY-310917
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    2.8821   -0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8821   -0.9829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1648    0.0171    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200    0.1585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1648   -1.2208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200   -1.3587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7200   -0.6035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1821   -0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1821   -0.9829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9648   -0.6035    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5821    0.0585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1800    0.0585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5559    0.7171    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5559   -0.6035    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3179    0.7171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6973    0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6973    1.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4559    0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4559    1.3965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8352    0.7171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5869    0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9317    0.0171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9869    1.3171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5076   -0.6070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  1  0  0  0  0
  5  7  1  0  0  0  0
  8  9  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (3,608)
3608

>  <Formula> (3,608)
C17H14N2O4S

>  <MolWeight> (3,608)
342.36906

>  <COMPOUND_NAME> (3,608)
WAY-310917

>  <BAR_CODE_NO> (3,608)
3915218

$$$$
WAY-344074
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
   13.0042   -8.8167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3542  -10.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9042   -6.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2792   -4.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2667   -8.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1292   -2.9042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1625   -6.8417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5375   -4.8542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.2042  -12.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6292   -6.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0292   -4.9292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -10.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3167  -11.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7500   -4.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8625   -2.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9042   -6.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0167  -14.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1167  -14.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9667  -15.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  8  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  4  2  0  0  0  0
  8 10  1  0  0  0  0
  9  2  2  0  0  0  0
 10  3  1  0  0  0  0
 11  3  2  0  0  0  0
 12  5  1  0  0  0  0
 13  2  1  0  0  0  0
 14 16  2  0  0  0  0
 15  6  2  0  0  0  0
 16  7  1  0  0  0  0
 17  9  1  0  0  0  0
 18 13  2  0  0  0  0
 19 18  1  0  0  0  0
  9 12  1  0  0  0  0
 17 19  2  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (3,609)
3609

>  <Formula> (3,609)
C14H13N3OS

>  <MolWeight> (3,609)
271.33752

>  <COMPOUND_NAME> (3,609)
WAY-344074

>  <BAR_CODE_NO> (3,609)
2554235

$$$$
WAY-310842
csChFnd80/06171916322D

 31 36  0  0  0  0  0  0  0  0999 V2000
    1.5172   -0.9828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8034   -1.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2310   -1.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5172   -0.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8069   -2.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0897   -0.9793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2276   -2.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9414   -0.9793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000    0.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2310    0.2552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5138   -2.6276    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0931   -2.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6241   -1.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9414   -2.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6552   -1.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000    1.0793    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6241   -2.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6586   -2.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0897    1.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6207    1.0759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0828    2.3172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3345    1.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6276    2.7207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3345    2.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0448    1.0655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7483    2.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7552    1.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4586    2.7172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4690    1.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1724    2.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1759    1.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  2  0  0  0  0
  9 16  1  0  0  0  0
 12 17  1  0  0  0  0
 14 18  2  0  0  0  0
 16 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
 22 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 30  2  0  0  0  0
 29 31  2  0  0  0  0
  7 11  1  0  0  0  0
 13 17  2  0  0  0  0
 15 18  1  0  0  0  0
 23 24  1  0  0  0  0
 26 27  2  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (3,610)
3610

>  <Formula> (3,610)
C23H15N5OS2

>  <MolWeight> (3,610)
441.5281

>  <COMPOUND_NAME> (3,610)
WAY-310842

>  <BAR_CODE_NO> (3,610)
3915126

$$$$
WAY-311633
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -2.3485   -0.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6347    0.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4002   -0.5414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9968   -1.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8830    0.9241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5485    0.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0968    0.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9209   -1.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1968   -0.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1692    0.5862    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4929   -0.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3860    0.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0550   -0.5034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6653    1.0897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9550   -0.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2308    0.6345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7377   -0.8345    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.1791    0.6345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4929   -0.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  6  9  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
  5  7  2  0  0  0  0
  8  9  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (3,611)
3611

>  <Formula> (3,611)
C11H9N5OS2

>  <MolWeight> (3,611)
291.35206

>  <COMPOUND_NAME> (3,611)
WAY-311633

>  <BAR_CODE_NO> (3,611)
3916068

$$$$
WAY-344977
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
    8.1917   -5.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5167   -6.6292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5167   -4.8125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4625   -5.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4625   -6.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3042   -5.7250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.5375   -7.6292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2042   -6.6417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9667   -6.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6625   -7.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5167   -5.7042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8542   -6.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3167   -6.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8625   -3.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8792   -7.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2292   -8.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.5792    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   14.3417   -8.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4917   -4.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4917   -6.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4542   -1.8667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1167   -2.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7125   -1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5292   -5.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5292   -6.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 12  1  0  0  0  0
 10  7  1  0  0  0  0
 11  9  2  0  0  0  0
 12  6  1  0  0  0  0
 13  8  1  0  0  0  0
 14  3  1  0  0  0  0
 15 18  1  0  0  0  0
 16 10  1  0  0  0  0
 17 15  1  0  0  0  0
 18 16  2  0  0  0  0
 19  4  2  0  0  0  0
 20  5  2  0  0  0  0
 21 22  1  0  0  0  0
 22 14  1  0  0  0  0
 23 21  1  0  0  0  0
 24 19  1  0  0  0  0
 25 20  1  0  0  0  0
  4  5  1  0  0  0  0
 24 25  2  0  0  0  0
 13 15  2  0  0  0  0
M  END
>  <Mol_ID> (3,612)
3612

>  <Formula> (3,612)
C17H17ClN4O2S

>  <MolWeight> (3,612)
376.86048

>  <COMPOUND_NAME> (3,612)
WAY-344977

>  <BAR_CODE_NO> (3,612)
2555250

$$$$
WAY-345223
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
    8.1917   -5.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5250   -6.6292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5250   -4.8167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6500   -7.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4667   -5.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2042   -8.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4667   -6.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3167   -8.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5250   -7.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2042   -6.7042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3042   -5.7292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.9750   -6.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8750   -7.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3167   -6.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5292   -5.7292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8625   -6.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6500   -9.6042    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.8667   -3.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.6792    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   14.8667   -9.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4917   -4.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4917   -6.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4542   -1.8667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1167   -2.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7125   -1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5292   -5.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5292   -6.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  9  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  7  2  1  0  0  0  0
  8  6  2  0  0  0  0
  9 12  1  0  0  0  0
 10  4  2  0  0  0  0
 11  1  1  0  0  0  0
 12 16  1  0  0  0  0
 13 14  2  0  0  0  0
 14 10  1  0  0  0  0
 15 12  2  0  0  0  0
 16 11  1  0  0  0  0
 17  6  1  0  0  0  0
 18  3  1  0  0  0  0
 19 13  1  0  0  0  0
 20  8  1  0  0  0  0
 21  5  2  0  0  0  0
 22  7  2  0  0  0  0
 23 24  1  0  0  0  0
 24 18  1  0  0  0  0
 25 23  1  0  0  0  0
 26 21  1  0  0  0  0
 27 22  1  0  0  0  0
  5  7  1  0  0  0  0
 26 27  2  0  0  0  0
 13  8  1  0  0  0  0
M  END
>  <Mol_ID> (3,613)
3613

>  <Formula> (3,613)
C18H18Cl2N4O2S

>  <MolWeight> (3,613)
425.33212

>  <COMPOUND_NAME> (3,613)
WAY-345223

>  <BAR_CODE_NO> (3,613)
2555478

$$$$
WAY-215442
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    2.4145   -2.9520    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4990   -1.4855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4145   -0.0090    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7200   -2.4055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7200   -0.5830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9090   -0.4465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8380   -3.2895    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2030   -2.0500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.8290   -2.0045    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2940   -0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6150   -2.0045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4900   -0.4465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2140   -1.9775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7835    1.0935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3120   -3.5355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1230   -0.4465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5170   -3.5355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8380    0.2915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3690   -2.4055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1865    1.0935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -1.9775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3690   -0.5830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6 16  1  0  0  0  0
  7  4  1  0  0  0  0
  8  2  1  0  0  0  0
  9  6  1  0  0  0  0
 10 12  2  0  0  0  0
 11  9  1  0  0  0  0
 12 11  1  0  0  0  0
 13 15  2  0  0  0  0
 14  6  2  0  0  0  0
 15 17  1  0  0  0  0
 16  8  1  0  0  0  0
 17 11  2  0  0  0  0
 18  5  1  0  0  0  0
 19  7  2  0  0  0  0
 20 10  1  0  0  0  0
 21 13  1  0  0  0  0
 22 19  1  0  0  0  0
  3  5  1  0  0  0  0
 22 18  2  0  0  0  0
 10 13  1  0  0  0  0
M  END
>  <Mol_ID> (3,614)
3614

>  <Formula> (3,614)
C16H16N4OS

>  <MolWeight> (3,614)
312.38944

>  <COMPOUND_NAME> (3,614)
WAY-215442

>  <BAR_CODE_NO> (3,614)
3914484

$$$$
WAY-310507
csChFnd80/06171916322D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.0379   -0.4724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7276   -0.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5379   -1.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4483    0.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7276   -1.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4414   -0.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0552   -1.8138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3310   -0.8862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2345    0.0310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1276    0.9966    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4414   -1.9690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1483   -0.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8345    1.4069    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.1483   -1.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8310    2.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5483    0.9966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5414    2.6483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1138    2.6448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
  5  7  1  0  0  0  0
  8  9  1  0  0  0  0
 12 14  2  0  0  0  0
M  END
>  <Mol_ID> (3,615)
3615

>  <Formula> (3,615)
C11H10N4O2S

>  <MolWeight> (3,615)
262.2877

>  <COMPOUND_NAME> (3,615)
WAY-310507

>  <BAR_CODE_NO> (3,615)
3914730

$$$$
WAY-313168
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
    1.7383   -0.1232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9797    0.9457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6900   -0.6680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8038   -0.6680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0590    1.0389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2865    1.7664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4934    0.0457    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6900   -1.7646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8038   -1.7646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6279    2.0078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6383    2.7871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2314    1.5733    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7383   -2.3129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1652   -2.3336    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7072    3.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1238   -1.7922    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0590    4.0182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0652   -1.2370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6755   -2.7336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5859   -0.8232    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0928   -0.1474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0135   -1.7922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0341    0.4113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9755   -1.2370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9755   -0.1474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9203    0.4251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9203    1.5251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
  8 13  2  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  2  0  0  0  0
 16 20  2  0  0  0  0
 18 21  1  0  0  0  0
 18 22  2  0  0  0  0
 21 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
  5  7  1  0  0  0  0
  9 13  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (3,616)
3616

>  <Formula> (3,616)
C19H19NO6S

>  <MolWeight> (3,616)
389.42226

>  <COMPOUND_NAME> (3,616)
WAY-313168

>  <BAR_CODE_NO> (3,616)
3917973

$$$$
WAY-343592
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    6.1667   -3.7292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3750   -3.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8667   -4.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792   -3.7417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3792   -2.9292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3792   -4.8167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5042   -3.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2750   -4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0667   -5.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2125   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1042   -4.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2792   -5.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5917   -5.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6542   -4.5250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6917   -6.4875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0750   -6.1167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6625   -2.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2875   -4.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2667   -5.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6625   -5.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4542   -5.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4542   -5.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9542   -5.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  2  0  0  0  0
  8  3  1  0  0  0  0
  9  8  1  0  0  0  0
 10  5  2  0  0  0  0
 11  4  1  0  0  0  0
 12  9  1  0  0  0  0
 13  6  1  0  0  0  0
 14  9  2  0  0  0  0
 15 12  2  0  0  0  0
 16 12  1  0  0  0  0
 17 10  1  0  0  0  0
 18 11  1  0  0  0  0
 19 13  1  0  0  0  0
 20 16  1  0  0  0  0
 21 20  1  0  0  0  0
 22 19  2  0  0  0  0
 23 18  2  0  0  0  0
 10  7  1  0  0  0  0
 11 13  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (3,617)
3617

>  <Formula> (3,617)
C15H15N5O3

>  <MolWeight> (3,617)
313.3113

>  <COMPOUND_NAME> (3,617)
WAY-343592

>  <BAR_CODE_NO> (3,617)
2554186

$$$$
WAY-310334
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.0517   -0.3586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7586   -0.3586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3138   -1.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6000    0.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0207   -1.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3207    0.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3759   -1.6483    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1552   -1.3207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    0.0414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3552    0.9897    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8448   -1.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1448    0.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6621   -0.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9172    1.5897    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.4103   -0.7069    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.7172    1.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6793    2.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2207   -0.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9621    0.6276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2793    2.0069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  8 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 16 20  2  0  0  0  0
  5  7  1  0  0  0  0
  9 13  1  0  0  0  0
 12 15  1  0  0  0  0
M  END
>  <Mol_ID> (3,618)
3618

>  <Formula> (3,618)
C14H16N2O2S2

>  <MolWeight> (3,618)
308.41904

>  <COMPOUND_NAME> (3,618)
WAY-310334

>  <BAR_CODE_NO> (3,618)
3914541

$$$$
WAY-345143
csChFnd80/06171916322D

 20 21  0  0  0  0  0  0  0  0999 V2000
   13.4125   -1.9750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7792   -1.0250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8500    0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3250   -0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9000   -1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7500   -0.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8125    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2667   -0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4417   -1.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8792   -2.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3625   -0.1542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.8667   -1.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4292   -0.1667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3917   -3.7667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   14.9542   -2.8875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.2042   -1.8417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.4292   -3.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3167    1.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -2.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8625   -4.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  2  0  0  0  0
  3  4  1  0  0  0  0
  4 11  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  2  0  0  0  0
  8  7  1  0  0  0  0
  9  1  1  0  0  0  0
 10  1  1  0  0  0  0
 11 12  1  0  0  0  0
 12  5  1  0  0  0  0
 13  5  2  0  0  0  0
 14 10  1  0  0  0  0
 15  9  1  0  0  0  0
 16  6  1  0  0  0  0
 17 14  1  0  0  0  0
 18  7  1  0  0  0  0
 19 15  1  0  0  0  0
 20 14  1  0  0  0  0
 17 15  1  0  0  0  0
  8  6  2  0  0  0  0
M  END
>  <Mol_ID> (3,619)
3619

>  <Formula> (3,619)
C13H20N4O2S

>  <MolWeight> (3,619)
296.3885

>  <COMPOUND_NAME> (3,619)
WAY-345143

>  <BAR_CODE_NO> (3,619)
2555437

$$$$
CL-78107
csChFnd80/06171916322D

 15 17  0  0  0  0  0  0  0  0999 V2000
   -0.2566    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8772   -0.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8772    0.8483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3193    0.9103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3193   -0.9103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8772   -0.5241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8772    0.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3710    0.9103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3710   -0.9103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8772   -0.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8772    0.8483    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8952    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4979    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9503    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  2  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
  7  8  1  0  0  0  0
 10 13  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <Mol_ID> (3,620)
3620

>  <Formula> (3,620)
C11H10N2OS

>  <MolWeight> (3,620)
218.2749

>  <COMPOUND_NAME> (3,620)
CL-78107

>  <BAR_CODE_NO> (3,620)
3915274

$$$$
WAY-310819
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -1.7255   -0.0847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6152    0.2498    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7255   -1.2605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6910    0.4809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0297   -0.6502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2428    1.3912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6152   -1.6157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6910   -1.8260    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6979   -0.0847    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6910    1.6222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2055   -0.6502    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8986    1.6222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6979   -1.2605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6910   -3.0019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7710   -1.6571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2676    2.7050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6745    0.7533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7048   -1.8260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9124   -1.6571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3814    2.9360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8055    0.9843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4779   -2.6674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4779   -0.6502    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1435    2.0981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7435    4.0498    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  2  0  0  0  0
 12 17  1  0  0  0  0
 13 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  2  0  0  0  0
 19 22  1  0  0  0  0
 19 23  2  0  0  0  0
 20 24  2  0  0  0  0
 20 25  1  0  0  0  0
  5  7  2  0  0  0  0
  9 13  1  0  0  0  0
 21 24  1  0  0  0  0
M  END
>  <Mol_ID> (3,621)
3621

>  <Formula> (3,621)
C15H14BrN5O3S

>  <MolWeight> (3,621)
424.27236

>  <COMPOUND_NAME> (3,621)
WAY-310819

>  <BAR_CODE_NO> (3,621)
3915098

$$$$
WAY-344687
csChFnd80/06171916322D

 28 30  0  0  0  0  0  0  0  0999 V2000
    6.2542   -3.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9500   -6.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5250   -2.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7417   -6.9167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5625   -4.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4042   -4.5542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7500   -1.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1250   -5.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3792   -3.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4667   -3.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5667   -7.9167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0917   -4.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5250   -5.8292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8417   -0.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7792   -7.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7000   -4.8292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5167   -5.9750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4667   -2.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3000   -4.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6917   -1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9250   -5.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9042   -1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7500   -6.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8167   -9.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0667    0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1250   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2125    0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  1  0  0  0  0
  4  8  1  0  0  0  0
  5  1  2  0  0  0  0
  6  5  1  0  0  0  0
  7  3  1  0  0  0  0
  8 21  1  0  0  0  0
  9  3  2  0  0  0  0
 10  1  1  0  0  0  0
 11  2  1  0  0  0  0
 12 10  1  0  0  0  0
 13  2  2  0  0  0  0
 14  7  1  0  0  0  0
 15 11  1  0  0  0  0
 16  8  2  0  0  0  0
 17 12  2  0  0  0  0
 18  9  1  0  0  0  0
 19 12  1  0  0  0  0
 20 18  2  0  0  0  0
 21 19  1  0  0  0  0
 22  7  2  0  0  0  0
 23 15  1  0  0  0  0
 24 15  1  0  0  0  0
 25 15  1  0  0  0  0
 26 14  2  0  0  0  0
 27 22  1  0  0  0  0
 28 27  2  0  0  0  0
  9  6  1  0  0  0  0
 20 14  1  0  0  0  0
 28 26  1  0  0  0  0
M  END
>  <Mol_ID> (3,622)
3622

>  <Formula> (3,622)
C21H22N2O5

>  <MolWeight> (3,622)
382.40978

>  <COMPOUND_NAME> (3,622)
WAY-344687

>  <BAR_CODE_NO> (3,622)
2554924

$$$$
WAY-311236
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -2.1690    0.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9690   -0.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2690    1.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2483   -0.1345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7897    0.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2897   -1.2517    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4690    1.8655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4483    0.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5897   -0.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2690   -1.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5690    1.4483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5897    2.8655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4724    0.0483    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5897    2.7483    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5897    2.9862    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7069    3.8655    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.5931   -0.9517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5103   -1.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3103   -0.7724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6103   -2.3517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2310   -1.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2103    0.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3310   -2.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0310   -0.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2517   -2.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9517   -1.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0517   -1.9931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 21 23  2  0  0  0  0
 21 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  2  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (3,623)
3623

>  <Formula> (3,623)
C18H14F3N3OS2

>  <MolWeight> (3,623)
409.4484696

>  <COMPOUND_NAME> (3,623)
WAY-311236

>  <BAR_CODE_NO> (3,623)
3915606

$$$$
WAY-312289
csChFnd80/06171916322D

 18 19  0  0  0  0  0  0  0  0999 V2000
    1.8103    0.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0310    0.3793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3724    0.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1931   -0.5414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4724   -0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0931    0.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9724   -0.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2897    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6931   -0.9655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8034    0.7276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8483   -0.5862    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6276   -0.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8483    0.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1897   -0.9655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6276    0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9897   -0.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1897    0.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8483    1.3793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
  6  7  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (3,624)
3624

>  <Formula> (3,624)
C10H10N4O3S

>  <MolWeight> (3,624)
266.2764

>  <COMPOUND_NAME> (3,624)
WAY-312289

>  <BAR_CODE_NO> (3,624)
3916904

$$$$
WAY-623828
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -1.7437    0.4132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6196    0.1787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0955   -0.2282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5058    1.2925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8541   -0.7006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2610    0.8201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2196    0.0063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6299    1.5270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7299   -0.9351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1368    0.5821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0114    0.8856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3713   -0.2937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8907    1.1201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5356    0.4787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3011   -0.3972    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4114    0.7166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9459   -1.0420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8563   -1.0455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5321   -1.6524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2287   -0.2144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3183   -1.2006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1356   -0.3110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  2  0  0  0  0
  9 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (3,625)
3625

>  <Formula> (3,625)
C19H17NO2

>  <MolWeight> (3,625)
291.34378

>  <COMPOUND_NAME> (3,625)
WAY-623828

>  <BAR_CODE_NO> (3,625)
90457999

$$$$
WAY-331410
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -7.9625    3.3750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1500    4.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1500    6.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3417    3.3750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8125    4.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9625    1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1500    0.2125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9625    7.5875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -9.8125    6.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3417    1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3292    7.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4875    8.6958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9625    9.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6250    3.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1500   -1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1375   10.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7750   10.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1375   12.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8125   12.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9625   13.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3417   -2.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9708   -2.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9708   16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3417   -5.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9625   -5.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1250   -6.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
 10  7  1  0  0  0  0
 11  3  1  0  0  0  0
 12 11  3  0  0  0  0
 13  8  1  0  0  0  0
 14  5  2  0  0  0  0
 15  7  1  0  0  0  0
 16 13  2  0  0  0  0
 17 13  1  0  0  0  0
 18 16  1  0  0  0  0
 19 17  2  0  0  0  0
 20 19  1  0  0  0  0
 21 15  1  0  0  0  0
 22 15  1  0  0  0  0
 23 20  1  0  0  0  0
 24 21  1  0  0  0  0
 25 22  1  0  0  0  0
 26 25  1  0  0  0  0
 10  4  1  0  0  0  0
  8  3  1  0  0  0  0
 24 26  1  0  0  0  0
 20 18  2  0  0  0  0
M  END
>  <Mol_ID> (3,626)
3626

>  <Formula> (3,626)
C21H25N3OS

>  <MolWeight> (3,626)
367.5077

>  <COMPOUND_NAME> (3,626)
WAY-331410

>  <BAR_CODE_NO> (3,626)
306411

$$$$
WAY-615890
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    0.0833   -1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0833   -0.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667   -1.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333   -1.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3500   -0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667    0.0292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333    0.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458   -1.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458   -0.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1750   -0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0625    1.0125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333   -2.2875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0625    0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5875   -1.3542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1208   -2.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5875    0.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458    1.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7750    1.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4125    0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7750    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8250    0.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0625    2.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  2  0  0  0  0
  6  2  1  0  0  0  0
  7  2  1  0  0  0  0
  8  4  1  0  0  0  0
  9  8  1  0  0  0  0
 10  5  1  0  0  0  0
 11 13  1  0  0  0  0
 12  4  2  0  0  0  0
 13  9  1  0  0  0  0
 14 10  2  0  0  0  0
 15  3  1  0  0  0  0
 16 10  1  0  0  0  0
 17 11  1  0  0  0  0
 18 11  1  0  0  0  0
 19 16  1  0  0  0  0
 20 18  1  0  0  0  0
 21 17  1  0  0  0  0
 22 19  1  0  0  0  0
 23 20  1  0  0  0  0
  5  6  1  0  0  0  0
  7  9  2  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (3,627)
3627

>  <Formula> (3,627)
C16H21N3O3S

>  <MolWeight> (3,627)
335.42124

>  <COMPOUND_NAME> (3,627)
WAY-615890

>  <BAR_CODE_NO> (3,627)
90449862

$$$$
WAY-329399
csChFnd80/06171916322D

 28 30  0  0  0  0  0  0  0  0999 V2000
   -6.7542   11.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7417   13.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6583   13.8625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1500   14.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6833   13.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7667   10.5708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7583    5.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9333   14.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8042    4.4292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5333   11.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0000   11.8167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7458    6.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6958    4.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6833    6.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8042    6.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8292   16.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -6.8042    3.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7208    9.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8750    2.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0000    1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6833    8.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7917    8.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7250    8.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9042    1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9167    3.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9542    0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9792    2.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0917    0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  2  0  0  0  0
  6  1  1  0  0  0  0
  7 12  1  0  0  0  0
  8  5  1  0  0  0  0
  9  7  1  0  0  0  0
 10  1  2  0  0  0  0
 11  1  2  0  0  0  0
 12 15  1  0  0  0  0
 13  7  2  0  0  0  0
 14 21  1  0  0  0  0
 15 22  1  0  0  0  0
 16  4  1  0  0  0  0
 17  9  1  0  0  0  0
 18  6  1  0  0  0  0
 19 17  1  0  0  0  0
 20 27  2  0  0  0  0
 21 23  1  0  0  0  0
 22 23  1  0  0  0  0
 23 18  1  0  0  0  0
 24 19  1  0  0  0  0
 25 19  2  0  0  0  0
 26 24  2  0  0  0  0
 27 25  1  0  0  0  0
 28 20  1  0  0  0  0
  4  8  2  0  0  0  0
 14 12  1  0  0  0  0
 20 26  1  0  0  0  0
M  END
>  <Mol_ID> (3,628)
3628

>  <Formula> (3,628)
C20H25BrN2O3S2

>  <MolWeight> (3,628)
485.4581

>  <COMPOUND_NAME> (3,628)
WAY-329399

>  <BAR_CODE_NO> (3,628)
304400

$$$$
WAY-329189
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
   11.1625   -7.5542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1625   -9.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9125   -9.7167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9125   -6.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6542   -7.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6542   -9.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1917  -13.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4167   -6.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1417  -11.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1417  -13.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9125  -11.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9417  -13.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1917  -15.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4292   -5.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4167   -9.7292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9125   -5.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4917   -4.4167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9417  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6875  -13.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1792   -4.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4042  -11.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9125   -3.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6875  -15.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4875   -3.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4292   -6.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4292   -9.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9542  -11.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4167  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4542  -15.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1792   -7.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1792   -9.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7 10  1  0  0  0  0
  8  1  1  0  0  0  0
  9 11  1  0  0  0  0
 10  9  1  0  0  0  0
 11  3  1  0  0  0  0
 12  7  2  0  0  0  0
 13  7  1  0  0  0  0
 14  8  1  0  0  0  0
 15  2  2  0  0  0  0
 16  4  2  0  0  0  0
 17 14  1  0  0  0  0
 18 13  2  0  0  0  0
 19 12  1  0  0  0  0
 20 14  2  0  0  0  0
 21  9  2  0  0  0  0
 22 17  1  0  0  0  0
 23 18  1  0  0  0  0
 24 20  1  0  0  0  0
 25  5  1  0  0  0  0
 26  6  1  0  0  0  0
 27 12  1  0  0  0  0
 28 13  1  0  0  0  0
 29 23  1  0  0  0  0
 30 25  2  0  0  0  0
 31 30  1  0  0  0  0
  3  6  1  0  0  0  0
 24 22  2  0  0  0  0
 31 26  2  0  0  0  0
 23 19  2  0  0  0  0
M  END
>  <Mol_ID> (3,629)
3629

>  <Formula> (3,629)
C24H23N3O4

>  <MolWeight> (3,629)
417.45712

>  <COMPOUND_NAME> (3,629)
WAY-329189

>  <BAR_CODE_NO> (3,629)
304190

$$$$
CL-59089
csChFnd80/06171916322D

 13 14  0  0  0  0  0  0  0  0999 V2000
    0.1065    1.0649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2150    0.2904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5103    0.4308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2614    2.5897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2150   -1.2343    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5461    1.5732    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7717    2.9140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5461   -2.0040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1065   -2.0040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4058    4.3226    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5461   -3.5481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1065   -3.5481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2150   -4.3226    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
  6  7  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <Mol_ID> (3,630)
3630

>  <Formula> (3,630)
C8H13N3OS

>  <MolWeight> (3,630)
199.27332

>  <COMPOUND_NAME> (3,630)
CL-59089

>  <BAR_CODE_NO> (3,630)
90459339

$$$$
WAY-616312
csChFnd80/06171916322D

 28 30  0  0  0  0  0  0  0  0999 V2000
   -2.2208   -1.4583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083   -2.6958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083   -1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2208   -2.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7917   -1.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7917   -2.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3500    1.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6375    1.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3500    2.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667    1.0167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0792    1.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6375    2.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0792    2.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0792   -1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6375    0.1917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9375   -2.6958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0792   -2.6958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667    2.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083   -0.2208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0792   -0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6375   -1.4583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9375   -1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083   -3.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7792    1.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7917    1.0167    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.6375    3.4917    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7792    2.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4917    1.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  2  0  0  0  0
  6  2  1  0  0  0  0
  7  8  1  0  0  0  0
  8 15  1  0  0  0  0
  9  7  2  0  0  0  0
 10  7  1  0  0  0  0
 11  8  2  0  0  0  0
 12 13  2  0  0  0  0
 13 11  1  0  0  0  0
 14  5  1  0  0  0  0
 15 20  1  0  0  0  0
 16  4  2  0  0  0  0
 17  6  2  0  0  0  0
 18  9  1  0  0  0  0
 19  3  1  0  0  0  0
 20 14  1  0  0  0  0
 21 14  2  0  0  0  0
 22  1  1  0  0  0  0
 23  2  1  0  0  0  0
 24 10  2  0  0  0  0
 25 11  1  0  0  0  0
 26 12  1  0  0  0  0
 27 24  1  0  0  0  0
 28 24  1  0  0  0  0
  5  6  1  0  0  0  0
  9 12  1  0  0  0  0
 27 18  2  0  0  0  0
M  END
>  <Mol_ID> (3,631)
3631

>  <Formula> (3,631)
C18H16Cl2N4O4

>  <MolWeight> (3,631)
423.25004

>  <COMPOUND_NAME> (3,631)
WAY-616312

>  <BAR_CODE_NO> (3,631)
90450296

$$$$
WAY-331425
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -9.1583    3.8917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0750    5.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0750    7.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2875    5.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1583    8.7375    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -4.9875    3.8917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1583    1.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2875    7.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0750    0.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9750    8.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1500   11.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9875    1.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8500   10.0083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3833    3.8625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0625   12.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0167   11.1500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -7.0750   -2.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2750   12.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0625   14.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2875   14.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1750   16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  8  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  4  1  0  0  0  0
  9  7  1  0  0  0  0
 10  3  1  0  0  0  0
 11  5  1  0  0  0  0
 12  9  1  0  0  0  0
 13 10  3  0  0  0  0
 14  4  2  0  0  0  0
 15 11  2  0  0  0  0
 16 15  1  0  0  0  0
 17  9  1  0  0  0  0
 18 11  1  0  0  0  0
 19 15  1  0  0  0  0
 20 18  2  0  0  0  0
 21 20  1  0  0  0  0
  6 12  1  0  0  0  0
  5  3  1  0  0  0  0
 19 21  2  0  0  0  0
M  END
>  <Mol_ID> (3,632)
3632

>  <Formula> (3,632)
C15H14ClN3OS

>  <MolWeight> (3,632)
319.80916

>  <COMPOUND_NAME> (3,632)
WAY-331425

>  <BAR_CODE_NO> (3,632)
306426

$$$$
WAY-624063
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
    1.1542   -2.5667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2750    2.3833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2750    3.2083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9875    1.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9875    3.6208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7000    2.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542   -3.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417    1.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417    1.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7000    3.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542   -1.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9792   -2.5667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292   -2.5667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542    0.7333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9875    1.1458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2750    0.7333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417   -1.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8667   -1.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4208    1.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8667   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4875   -3.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8250   -3.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4208    3.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1333    2.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5667   -4.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7417   -4.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1333    3.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  8  1  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  2  0  0  0  0
  6  4  1  0  0  0  0
  7  1  1  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
 10  6  2  0  0  0  0
 11  1  1  0  0  0  0
 12  1  2  0  0  0  0
 13  1  2  0  0  0  0
 14 19  1  0  0  0  0
 15  4  2  0  0  0  0
 16  9  2  0  0  0  0
 17 11  1  0  0  0  0
 18 11  2  0  0  0  0
 19 22  2  0  0  0  0
 20  6  1  0  0  0  0
 21 17  2  0  0  0  0
 22 18  1  0  0  0  0
 23  7  1  0  0  0  0
 24  7  1  0  0  0  0
 25 10  1  0  0  0  0
 26 20  2  0  0  0  0
 27 24  1  0  0  0  0
 28 23  1  0  0  0  0
 29 26  1  0  0  0  0
 21 19  1  0  0  0  0
 27 28  1  0  0  0  0
 10  5  1  0  0  0  0
 29 25  2  0  0  0  0
M  END
>  <Mol_ID> (3,633)
3633

>  <Formula> (3,633)
C19H19N5O4S

>  <MolWeight> (3,633)
413.45026

>  <COMPOUND_NAME> (3,633)
WAY-624063

>  <BAR_CODE_NO> (3,633)
90458237

$$$$
WAY-616219
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -1.9483    1.2064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2931    0.8305    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5931    0.8236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9483    1.9616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2862    0.0823    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5483    0.8305    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9276    1.4719    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2483    1.1995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6034    2.3305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6414   -0.3005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9414   -0.3005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2517    1.9512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0138    0.0650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6448   -1.0591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6586   -0.3177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0034   -1.4384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6552   -1.0729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3034   -1.4522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9552   -1.0798    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2931   -2.2005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9069   -0.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5690   -1.5143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4586    0.1685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2862   -1.3005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2034    0.0478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5690   -0.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  2  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
  9 12  2  0  0  0  0
 16 17  2  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (3,634)
3634

>  <Formula> (3,634)
C20H24N2O3S

>  <MolWeight> (3,634)
372.48116

>  <COMPOUND_NAME> (3,634)
WAY-616219

>  <BAR_CODE_NO> (3,634)
90450200

$$$$
WAY-643093
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.6750   -0.4125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0375   -0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3917    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1833   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2625    0.3083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0875   -1.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4708   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1042   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1833    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9708   -0.6667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9708    0.6708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4708    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8167    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5292   -0.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.3917    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1042    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8167    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  7  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  2  0  0  0  0
  7 10  2  0  0  0  0
  8  3  1  0  0  0  0
  9 14  1  0  0  0  0
 10  2  1  0  0  0  0
 11  4  1  0  0  0  0
 12  9  1  0  0  0  0
 13 11  1  0  0  0  0
 14 16  2  0  0  0  0
 15  8  2  0  0  0  0
 16 10  1  0  0  0  0
 17 15  1  0  0  0  0
 18  3  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 20 15  1  0  0  0  0
  9  4  2  0  0  0  0
 13 12  1  0  0  0  0
M  END
>  <Mol_ID> (3,635)
3635

>  <Formula> (3,635)
C13H10BrNO4S

>  <MolWeight> (3,635)
356.1918

>  <COMPOUND_NAME> (3,635)
WAY-643093

>  <BAR_CODE_NO> (3,635)
90477662

$$$$
WAY-642603
csChFnd80/06171916322D

 32 35  0  0  0  0  0  0  0  0999 V2000
    2.7000   -0.0292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3000    0.3750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0208   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7333    0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4125   -0.4500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0208    1.6125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3000    1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9792    0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708    0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7333    1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5875   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1125    0.6833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2875   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1583   -0.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0208   -0.8625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542    0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4125   -1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708    1.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4458   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1292   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9792    1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667    1.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542    1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4458    1.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7000   -1.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1292   -1.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1583    0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1583    1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1292   -2.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7000   -2.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4125   -2.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 11  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  7  2  0  0  0  0
  7  2  1  0  0  0  0
  8  1  1  0  0  0  0
  9 15  1  0  0  0  0
 10  6  1  0  0  0  0
 11  9  1  0  0  0  0
 12  1  2  0  0  0  0
 13  1  2  0  0  0  0
 14  8  2  0  0  0  0
 15 17  1  0  0  0  0
 16  3  2  0  0  0  0
 17 14  1  0  0  0  0
 18  5  1  0  0  0  0
 19  9  2  0  0  0  0
 20  4  1  0  0  0  0
 21  5  1  0  0  0  0
 22  8  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 25 10  1  0  0  0  0
 26 18  1  0  0  0  0
 27 18  2  0  0  0  0
 28 20  2  0  0  0  0
 29 25  2  0  0  0  0
 30 27  1  0  0  0  0
 31 26  2  0  0  0  0
 32 30  2  0  0  0  0
 24 17  2  0  0  0  0
 32 31  1  0  0  0  0
 10  4  2  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (3,636)
3636

>  <Formula> (3,636)
C23H20N4O4S

>  <MolWeight> (3,636)
448.4943

>  <COMPOUND_NAME> (3,636)
WAY-642603

>  <BAR_CODE_NO> (3,636)
90477165

$$$$
WAY-662967
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.9333   -0.1542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4208    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9333    1.1708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458    0.9208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2458    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167   -0.3917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8667    1.4333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7792    0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6917   -0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2750   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4833   -0.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9417   -0.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1875   -0.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6583   -0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6583    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8958    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3625   -0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8542   -1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4833    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2792   -1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5250   -1.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8  9  3  0  0  0  0
  9 10  1  0  0  0  0
 10 13  2  0  0  0  0
 11  7  1  0  0  0  0
 12 15  1  0  0  0  0
 13 11  1  0  0  0  0
 14  1  1  0  0  0  0
 15  6  2  0  0  0  0
 16  6  1  0  0  0  0
 17 20  1  0  0  0  0
 18 10  1  0  0  0  0
 19 13  1  0  0  0  0
 20 16  2  0  0  0  0
 21 22  1  0  0  0  0
 22 19  2  0  0  0  0
  3  5  1  0  0  0  0
 17 12  2  0  0  0  0
 21 18  2  0  0  0  0
M  END
>  <Mol_ID> (3,637)
3637

>  <Formula> (3,637)
C16H13N5S

>  <MolWeight> (3,637)
307.37292

>  <COMPOUND_NAME> (3,637)
WAY-662967

>  <BAR_CODE_NO> (3,637)
90497714

$$$$
WAY-330493
csChFnd80/06171916322D

 33 36  0  0  0  0  0  0  0  0999 V2000
   -4.3500    8.0875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1583    0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1875    1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2125    3.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1000    1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1583   -2.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1000    3.6250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2625    6.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000    9.2250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2625    4.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1500    4.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4125   11.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2250    6.1583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4750   10.0250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1000   -3.1125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2625    0.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2375   -3.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2125    8.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1500    6.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4750   14.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3000   14.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3125   12.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4750   12.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3750   15.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1000   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1583   -6.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2750   16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   15.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2375   -5.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1125   -8.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2333   -6.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1583   -9.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2625   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4 10  2  0  0  0  0
  5  7  1  0  0  0  0
  6  2  1  0  0  0  0
  7 11  1  0  0  0  0
  8  1  1  0  0  0  0
  9  1  1  0  0  0  0
 10  8  1  0  0  0  0
 11 19  2  0  0  0  0
 12  9  1  0  0  0  0
 13  1  2  0  0  0  0
 14  1  2  0  0  0  0
 15  6  1  0  0  0  0
 16  3  2  0  0  0  0
 17  6  2  0  0  0  0
 18  8  2  0  0  0  0
 19 18  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  2  0  0  0  0
 22 12  1  0  0  0  0
 23 12  2  0  0  0  0
 24 20  2  0  0  0  0
 25 15  1  0  0  0  0
 26 25  1  0  0  0  0
 27 21  1  0  0  0  0
 28 20  1  0  0  0  0
 29 26  2  0  0  0  0
 30 26  1  0  0  0  0
 31 29  1  0  0  0  0
 32 30  2  0  0  0  0
 33 32  1  0  0  0  0
  4 11  1  0  0  0  0
 24 21  1  0  0  0  0
  5  2  2  0  0  0  0
 31 33  2  0  0  0  0
M  END
>  <Mol_ID> (3,638)
3638

>  <Formula> (3,638)
C25H23N3O4S

>  <MolWeight> (3,638)
461.53282

>  <COMPOUND_NAME> (3,638)
WAY-330493

>  <BAR_CODE_NO> (3,638)
305494

$$$$
WAY-330467
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -4.3583    8.1292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2125    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2375    1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2500    3.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2125   -2.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1542    1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4125    9.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1542    3.6417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2917    7.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2917    4.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4208   11.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1917    4.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1542   -3.1292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4958   10.0792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2333    6.1917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2917    0.2458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2667   -3.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3708   12.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2500    8.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1917    6.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3292   11.4875    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1542   -5.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000   12.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4208   14.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.2375   -6.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6542   -7.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000   14.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458   16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.0000   -8.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7792   -9.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4 10  2  0  0  0  0
  5  2  1  0  0  0  0
  6  8  1  0  0  0  0
  7  1  1  0  0  0  0
  8 12  1  0  0  0  0
  9  1  1  0  0  0  0
 10  9  1  0  0  0  0
 11  7  1  0  0  0  0
 12 20  2  0  0  0  0
 13  5  1  0  0  0  0
 14  1  2  0  0  0  0
 15  1  2  0  0  0  0
 16  3  2  0  0  0  0
 17  5  2  0  0  0  0
 18 11  2  0  0  0  0
 19  9  2  0  0  0  0
 20 19  1  0  0  0  0
 21 18  1  0  0  0  0
 22 13  1  0  0  0  0
 23 11  1  0  0  0  0
 24 18  1  0  0  0  0
 25 22  1  0  0  0  0
 26 22  1  0  0  0  0
 27 23  2  0  0  0  0
 28 27  1  0  0  0  0
 29 25  1  0  0  0  0
 30 26  1  0  0  0  0
  4 12  1  0  0  0  0
 28 24  2  0  0  0  0
  6  2  2  0  0  0  0
 30 29  1  0  0  0  0
M  END
>  <Mol_ID> (3,639)
3639

>  <Formula> (3,639)
C21H20FN3O4S

>  <MolWeight> (3,639)
429.4646032

>  <COMPOUND_NAME> (3,639)
WAY-330467

>  <BAR_CODE_NO> (3,639)
305468

$$$$
WAY-330469
csChFnd80/06171916322D

 33 36  0  0  0  0  0  0  0  0999 V2000
   -4.3583    8.1292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2125    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2375    1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2500    3.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2125   -2.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1542    1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4125    9.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1542    3.6417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2917    7.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1542   -3.1292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2917    4.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4208   11.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1917    4.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1542   -5.3792    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.2333    6.1917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4958   10.0792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2208   -6.5417    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -6.2917    0.2458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2667   -3.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3708   12.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2500    8.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1917    6.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2208   -8.8042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -6.3292   11.4875    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  -14.1125   -6.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000   12.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.1125   -8.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2500   -5.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1917   -9.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4208   14.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2667   -9.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000   14.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458   16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4 11  2  0  0  0  0
  5  2  1  0  0  0  0
  6  8  1  0  0  0  0
  7  1  1  0  0  0  0
  8 13  1  0  0  0  0
  9  1  1  0  0  0  0
 10  5  1  0  0  0  0
 11  9  1  0  0  0  0
 12  7  1  0  0  0  0
 13 22  2  0  0  0  0
 14 10  1  0  0  0  0
 15  1  2  0  0  0  0
 16  1  2  0  0  0  0
 17 14  1  0  0  0  0
 18  3  2  0  0  0  0
 19  5  2  0  0  0  0
 20 12  2  0  0  0  0
 21  9  2  0  0  0  0
 22 21  1  0  0  0  0
 23 17  1  0  0  0  0
 24 20  1  0  0  0  0
 25 14  1  0  0  0  0
 26 12  1  0  0  0  0
 27 25  1  0  0  0  0
 28 17  1  0  0  0  0
 29 27  1  0  0  0  0
 30 20  1  0  0  0  0
 31 23  1  0  0  0  0
 32 26  2  0  0  0  0
 33 32  1  0  0  0  0
  4 13  1  0  0  0  0
 33 30  2  0  0  0  0
  6  2  2  0  0  0  0
 29 23  1  0  0  0  0
M  END
>  <Mol_ID> (3,640)
3640

>  <Formula> (3,640)
C24H26FN3O4S

>  <MolWeight> (3,640)
471.5443432

>  <COMPOUND_NAME> (3,640)
WAY-330469

>  <BAR_CODE_NO> (3,640)
305470

$$$$
WAY-330445
csChFnd80/06171916322D

 30 32  0  0  0  0  0  0  0  0999 V2000
   -4.3500    8.1125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1875    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2125    1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2375    3.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1875   -2.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1333    1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4125    9.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1333    3.6417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2750    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2750    4.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1750    4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1333   -3.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2250    6.1750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4875   10.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4250   11.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2750    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2500   -3.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2375    8.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1750    6.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5375   12.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1333   -5.3875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -4.4042   12.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4250   11.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4875   14.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1750   -6.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.0875   -6.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4000   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4250   14.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2125   -5.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4500   16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4 10  2  0  0  0  0
  5  2  1  0  0  0  0
  6  8  1  0  0  0  0
  7  1  1  0  0  0  0
  8 11  1  0  0  0  0
  9  1  1  0  0  0  0
 10  9  1  0  0  0  0
 11 19  2  0  0  0  0
 12  5  1  0  0  0  0
 13  1  2  0  0  0  0
 14  1  2  0  0  0  0
 15  7  1  0  0  0  0
 16  3  2  0  0  0  0
 17  5  2  0  0  0  0
 18  9  2  0  0  0  0
 19 18  1  0  0  0  0
 20 15  2  0  0  0  0
 21 12  1  0  0  0  0
 22 15  1  0  0  0  0
 23 20  1  0  0  0  0
 24 20  1  0  0  0  0
 25 21  1  0  0  0  0
 26 21  1  0  0  0  0
 27 23  1  0  0  0  0
 28 22  2  0  0  0  0
 29 25  1  0  0  0  0
 30 28  1  0  0  0  0
 11  4  1  0  0  0  0
 24 30  2  0  0  0  0
  2  6  2  0  0  0  0
M  END
>  <Mol_ID> (3,641)
3641

>  <Formula> (3,641)
C22H25N3O4S

>  <MolWeight> (3,641)
427.5166

>  <COMPOUND_NAME> (3,641)
WAY-330445

>  <BAR_CODE_NO> (3,641)
305446

$$$$
WAY-330446
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
   -4.3500    8.1125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1875    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2125    1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2375    3.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1875   -2.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1333    1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4125    9.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1333    3.6417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2750    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2750    4.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1750    4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1333   -3.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2250    6.1750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4875   10.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4250   11.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2750    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2500   -3.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2375    8.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1750    6.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5375   12.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1333   -5.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4042   12.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4250   11.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4875   14.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.1958   -6.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6333   -7.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4000   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4250   14.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4500   16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.9750   -8.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7583   -8.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4 10  2  0  0  0  0
  5  2  1  0  0  0  0
  6  8  1  0  0  0  0
  7  1  1  0  0  0  0
  8 11  1  0  0  0  0
  9  1  1  0  0  0  0
 10  9  1  0  0  0  0
 11 19  2  0  0  0  0
 12  5  1  0  0  0  0
 13  1  2  0  0  0  0
 14  1  2  0  0  0  0
 15  7  1  0  0  0  0
 16  3  2  0  0  0  0
 17  5  2  0  0  0  0
 18  9  2  0  0  0  0
 19 18  1  0  0  0  0
 20 15  2  0  0  0  0
 21 12  1  0  0  0  0
 22 15  1  0  0  0  0
 23 20  1  0  0  0  0
 24 20  1  0  0  0  0
 25 21  1  0  0  0  0
 26 21  1  0  0  0  0
 27 23  1  0  0  0  0
 28 22  2  0  0  0  0
 29 28  1  0  0  0  0
 30 25  1  0  0  0  0
 31 26  1  0  0  0  0
 11  4  1  0  0  0  0
 24 29  2  0  0  0  0
  2  6  2  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (3,642)
3642

>  <Formula> (3,642)
C23H25N3O4S

>  <MolWeight> (3,642)
439.5273

>  <COMPOUND_NAME> (3,642)
WAY-330446

>  <BAR_CODE_NO> (3,642)
305447

$$$$
WAY-330507
csChFnd80/06171916322D

 32 35  0  0  0  0  0  0  0  0999 V2000
   -3.5958    6.7167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4292    0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7958    1.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8125    2.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4292   -1.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0333    1.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0333    3.0083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2042    5.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2042    3.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9958    7.6542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4167    3.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0333   -2.5875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6708    5.1083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5333    8.3167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2042    0.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8292   -2.5917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0208   13.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8125    6.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4167    5.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0000    9.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6333   12.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3875   12.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0208   15.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0333   -4.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6250   10.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3875   10.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6250   16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208   16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7542   -5.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8000   -5.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5542   -7.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7292   -7.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  2  0  0  0  0
  5  2  1  0  0  0  0
  6  7  1  0  0  0  0
  7 11  1  0  0  0  0
  8  1  1  0  0  0  0
  9  8  1  0  0  0  0
 10  1  1  0  0  0  0
 11 19  2  0  0  0  0
 12  5  1  0  0  0  0
 13  1  2  0  0  0  0
 14  1  2  0  0  0  0
 15  3  2  0  0  0  0
 16  5  2  0  0  0  0
 17 22  2  0  0  0  0
 18  8  2  0  0  0  0
 19 18  1  0  0  0  0
 20 10  1  0  0  0  0
 21 25  2  0  0  0  0
 22 26  1  0  0  0  0
 23 17  1  0  0  0  0
 24 12  1  0  0  0  0
 25 20  1  0  0  0  0
 26 20  2  0  0  0  0
 27 23  1  0  0  0  0
 28 23  1  0  0  0  0
 29 24  1  0  0  0  0
 30 24  1  0  0  0  0
 31 29  1  0  0  0  0
 32 30  1  0  0  0  0
 21 17  1  0  0  0  0
  4 11  1  0  0  0  0
  6  2  2  0  0  0  0
 32 31  1  0  0  0  0
M  END
>  <Mol_ID> (3,643)
3643

>  <Formula> (3,643)
C24H27N3O4S

>  <MolWeight> (3,643)
453.55388

>  <COMPOUND_NAME> (3,643)
WAY-330507

>  <BAR_CODE_NO> (3,643)
305508

$$$$
WAY-330436
csChFnd80/06171916322D

 34 37  0  0  0  0  0  0  0  0999 V2000
   -8.9042    0.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7958    7.0917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1792    1.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9042   -1.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1917    3.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6000    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6000    3.1708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4958    6.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4958    4.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1000    8.0792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6000   -2.7292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8792    4.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8208    5.3917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7875    8.7875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4958    0.2083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2125   -2.7417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6000   -4.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1125   10.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1917    7.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4083   11.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8792    6.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4375   12.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8792   -5.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2917   -1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2875   14.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8083   12.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7958   11.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1333   13.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9042   -7.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1792   -4.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542   16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4958   -5.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1917   -8.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4958   -7.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  8  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  2  0  0  0  0
  7  6  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  2  0  0  0  0
 10  2  1  0  0  0  0
 11  4  1  0  0  0  0
 12  7  1  0  0  0  0
 13  2  2  0  0  0  0
 14  2  2  0  0  0  0
 15  3  2  0  0  0  0
 16  4  2  0  0  0  0
 17 11  1  0  0  0  0
 18 10  1  0  0  0  0
 19 21  1  0  0  0  0
 20 18  2  0  0  0  0
 21 12  2  0  0  0  0
 22 20  1  0  0  0  0
 23 17  1  0  0  0  0
 24 11  1  0  0  0  0
 25 22  1  0  0  0  0
 26 27  2  0  0  0  0
 27 18  1  0  0  0  0
 28 26  1  0  0  0  0
 29 23  2  0  0  0  0
 30 23  1  0  0  0  0
 31 25  1  0  0  0  0
 32 30  2  0  0  0  0
 33 29  1  0  0  0  0
 34 32  1  0  0  0  0
  5 12  1  0  0  0  0
  8 19  2  0  0  0  0
 33 34  2  0  0  0  0
 28 22  2  0  0  0  0
M  END
>  <Mol_ID> (3,644)
3644

>  <Formula> (3,644)
C25H23N3O5S

>  <MolWeight> (3,644)
477.53222

>  <COMPOUND_NAME> (3,644)
WAY-330436

>  <BAR_CODE_NO> (3,644)
305437

$$$$
WAY-330481
csChFnd80/06171916322D

 33 36  0  0  0  0  0  0  0  0999 V2000
   -3.2250    6.0125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5458    0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0875    1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0875    2.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5458   -1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9875    1.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9875    2.7042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6625    5.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6625    3.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7875    6.8458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5250    3.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9875   -2.3125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3875    4.5750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0625    7.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6625    0.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1083   -2.3250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0875    6.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5250    5.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8000    8.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7792   11.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9875   -3.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3375    9.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2375    9.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2250   11.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3250   11.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7500   13.5250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2875   14.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5625   -4.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4375   -4.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2625   16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5625   -6.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4458   -6.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0083   -7.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  2  0  0  0  0
  5  2  1  0  0  0  0
  6  7  1  0  0  0  0
  7 11  1  0  0  0  0
  8  1  1  0  0  0  0
  9  8  1  0  0  0  0
 10  1  1  0  0  0  0
 11 18  2  0  0  0  0
 12  5  1  0  0  0  0
 13  1  2  0  0  0  0
 14  1  2  0  0  0  0
 15  3  2  0  0  0  0
 16  5  2  0  0  0  0
 17  8  2  0  0  0  0
 18 17  1  0  0  0  0
 19 10  1  0  0  0  0
 20 24  2  0  0  0  0
 21 12  1  0  0  0  0
 22 19  1  0  0  0  0
 23 19  2  0  0  0  0
 24 23  1  0  0  0  0
 25 22  2  0  0  0  0
 26 20  1  0  0  0  0
 27 26  1  0  0  0  0
 28 21  1  0  0  0  0
 29 21  1  0  0  0  0
 30 27  1  0  0  0  0
 31 28  1  0  0  0  0
 32 29  1  0  0  0  0
 33 32  1  0  0  0  0
 25 20  1  0  0  0  0
 11  4  1  0  0  0  0
  2  6  2  0  0  0  0
 33 31  1  0  0  0  0
M  END
>  <Mol_ID> (3,645)
3645

>  <Formula> (3,645)
C24H27N3O5S

>  <MolWeight> (3,645)
469.55328

>  <COMPOUND_NAME> (3,645)
WAY-330481

>  <BAR_CODE_NO> (3,645)
305482

$$$$
WAY-330430
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
   -3.7958    7.0917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9042    0.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1792    1.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1917    3.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9042   -1.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6000    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6000    3.1708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4958    6.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4958    4.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1000    8.0792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8792    4.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6000   -2.7292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8208    5.3917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7875    8.7875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4958    0.2083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2125   -2.7417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1125   10.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1917    7.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4083   11.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8792    6.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4375   12.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6000   -4.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2875   14.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8083   12.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7958   11.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1333   13.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542   16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4125   -5.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2917   -6.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2042   -7.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2667   -7.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  2  0  0  0  0
  5  2  1  0  0  0  0
  6  7  1  0  0  0  0
  7 11  1  0  0  0  0
  8  1  1  0  0  0  0
  9  8  1  0  0  0  0
 10  1  1  0  0  0  0
 11 20  2  0  0  0  0
 12  5  1  0  0  0  0
 13  1  2  0  0  0  0
 14  1  2  0  0  0  0
 15  3  2  0  0  0  0
 16  5  2  0  0  0  0
 17 10  1  0  0  0  0
 18  8  2  0  0  0  0
 19 17  2  0  0  0  0
 20 18  1  0  0  0  0
 21 19  1  0  0  0  0
 22 12  1  0  0  0  0
 23 21  1  0  0  0  0
 24 25  2  0  0  0  0
 25 17  1  0  0  0  0
 26 24  1  0  0  0  0
 27 23  1  0  0  0  0
 28 22  1  0  0  0  0
 29 22  1  0  0  0  0
 30 28  1  0  0  0  0
 31 29  1  0  0  0  0
  4 11  1  0  0  0  0
 26 21  2  0  0  0  0
  6  2  2  0  0  0  0
 31 30  1  0  0  0  0
M  END
>  <Mol_ID> (3,646)
3646

>  <Formula> (3,646)
C22H23N3O5S

>  <MolWeight> (3,646)
441.50012

>  <COMPOUND_NAME> (3,646)
WAY-330430

>  <BAR_CODE_NO> (3,646)
305431

$$$$
WAY-329612
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -5.8333    6.0917    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -5.8333    4.1250    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -7.5167    7.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1958    4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1958    6.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5167    3.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1333    3.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1125    7.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9167    3.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3125    3.9583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5167    9.0500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9208    1.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1000    9.0417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083    2.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9958    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9167    1.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5917    4.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4083    6.0917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -14.3000    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5792    0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.2792    3.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0000    0.2333    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7083    7.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917    6.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  5  2  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  2  1  0  0  0  0
  8  1  1  0  0  0  0
  9  4  1  0  0  0  0
 10  7  1  0  0  0  0
 11  3  2  0  0  0  0
 12  7  2  0  0  0  0
 13  8  2  0  0  0  0
 14 10  1  0  0  0  0
 15 12  1  0  0  0  0
 16  9  1  0  0  0  0
 17  9  2  0  0  0  0
 18  8  1  0  0  0  0
 19 21  2  0  0  0  0
 20 16  2  0  0  0  0
 21 17  1  0  0  0  0
 22 19  1  0  0  0  0
 23 18  1  0  0  0  0
 24 23  1  0  0  0  0
  6  4  1  0  0  0  0
 14 15  2  0  0  0  0
 20 19  1  0  0  0  0
M  END
>  <Mol_ID> (3,647)
3647

>  <Formula> (3,647)
C19H17FO4

>  <MolWeight> (3,647)
328.3342832

>  <COMPOUND_NAME> (3,647)
WAY-329612

>  <BAR_CODE_NO> (3,647)
304613

$$$$
WAY-329611
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -5.8417    6.1042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -5.8417    4.1292    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -7.5292    7.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2167    4.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2167    6.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5292    3.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1417    3.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1208    7.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9375    3.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3208    3.9583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5292    9.0667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9333    1.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1083    9.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0000    0.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9375    1.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6417    4.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4083    6.1042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -14.2875    1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.3292    3.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6042    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.9875    0.1708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7083    7.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0000   -1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917    6.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  5  2  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  2  1  0  0  0  0
  8  1  1  0  0  0  0
  9  4  1  0  0  0  0
 10  7  1  0  0  0  0
 11  3  2  0  0  0  0
 12  7  2  0  0  0  0
 13  8  2  0  0  0  0
 14 10  1  0  0  0  0
 15 12  1  0  0  0  0
 16  9  1  0  0  0  0
 17  9  2  0  0  0  0
 18  8  1  0  0  0  0
 19 20  2  0  0  0  0
 20 17  1  0  0  0  0
 21 16  2  0  0  0  0
 22 19  1  0  0  0  0
 23 18  1  0  0  0  0
 24 22  1  0  0  0  0
 25 23  1  0  0  0  0
  6  4  1  0  0  0  0
 14 15  2  0  0  0  0
 21 19  1  0  0  0  0
M  END
>  <Mol_ID> (3,648)
3648

>  <Formula> (3,648)
C20H20O5

>  <MolWeight> (3,648)
340.3698

>  <COMPOUND_NAME> (3,648)
WAY-329611

>  <BAR_CODE_NO> (3,648)
304612

$$$$
WAY-642698
csChFnd80/06171916322D

 27 31  0  0  0  0  0  0  0  0999 V2000
    0.3167    0.4083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292    0.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167   -0.4167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.0292   -0.8292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7417    0.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4000   -0.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7417   -0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8333   -1.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8333   -0.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1125   -2.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4000    0.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1125   -0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4000   -1.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4000    1.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6125   -1.9125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6125   -0.5750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292    1.6458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0708    2.1333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1000   -1.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667    2.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8125    2.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0125    2.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1125   -2.8917    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.4542    0.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4542   -0.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1667    0.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1667   -0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8 10  2  0  0  0  0
  9 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11  1  1  0  0  0  0
 12  6  1  0  0  0  0
 13  6  2  0  0  0  0
 14 11  1  0  0  0  0
 15  8  1  0  0  0  0
 16  9  1  0  0  0  0
 17  2  2  0  0  0  0
 18 14  1  0  0  0  0
 19 16  1  0  0  0  0
 20 14  2  0  0  0  0
 21 18  1  0  0  0  0
 22 20  1  0  0  0  0
 23 10  1  0  0  0  0
 24  5  1  0  0  0  0
 25  7  1  0  0  0  0
 26 24  2  0  0  0  0
 27 25  2  0  0  0  0
  5  7  2  0  0  0  0
 21 22  2  0  0  0  0
  8  9  1  0  0  0  0
 26 27  1  0  0  0  0
 15 19  1  0  0  0  0
M  END
>  <Mol_ID> (3,649)
3649

>  <Formula> (3,649)
C20H15BrN2O4

>  <MolWeight> (3,649)
427.2481

>  <COMPOUND_NAME> (3,649)
WAY-642698

>  <BAR_CODE_NO> (3,649)
90477260

$$$$
WAY-331912
csChFnd80/06171916322D

 32 35  0  0  0  0  0  0  0  0999 V2000
  -10.1542    0.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6125    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5667   -1.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6417   -1.7917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0417    0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208    6.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9417    4.0792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6125    3.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7167   -3.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2583    5.9917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5958    5.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208    8.8792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9250   -5.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6417   -3.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6208    4.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2833    6.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2833    3.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9417    5.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4292    6.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000   12.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4125    8.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7750   -4.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0667   -6.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9750   -6.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3792   14.6792    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.0500   11.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833   11.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0667    9.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708    9.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2083    0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.1000   -8.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0000   -7.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  2  2  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  8  2  1  0  0  0  0
  9  3  1  0  0  0  0
 10  6  1  0  0  0  0
 11 16  1  0  0  0  0
 12  6  2  0  0  0  0
 13  9  1  0  0  0  0
 14  9  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17  7  1  0  0  0  0
 18  7  1  0  0  0  0
 19 10  1  0  0  0  0
 20 27  2  0  0  0  0
 21 19  1  0  0  0  0
 22 14  1  0  0  0  0
 23 13  2  0  0  0  0
 24 22  2  0  0  0  0
 25 20  1  0  0  0  0
 26 28  2  0  0  0  0
 27 29  1  0  0  0  0
 28 21  1  0  0  0  0
 29 21  2  0  0  0  0
 30  5  1  0  0  0  0
 31 24  1  0  0  0  0
 32 31  1  0  0  0  0
  5  4  1  0  0  0  0
 24 23  1  0  0  0  0
 11 15  1  0  0  0  0
 20 26  1  0  0  0  0
M  END
>  <Mol_ID> (3,650)
3650

>  <Formula> (3,650)
C26H30FN3O2

>  <MolWeight> (3,650)
435.5337032

>  <COMPOUND_NAME> (3,650)
WAY-331912

>  <BAR_CODE_NO> (3,650)
306913

$$$$
WAY-663643
csChFnd80/06171916322D

 23 27  0  0  0  0  0  0  0  0999 V2000
   -3.2284   -0.7129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8201    0.0038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4326   -0.4962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0242   -0.2087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6367   -0.7087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4242    0.0913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4367    0.3288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8242    0.8288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4284    0.9163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1951    1.0038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6284   -0.1212    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0841    0.2955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1326    1.0955    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8476   -0.0171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9551   -0.8361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7177   -1.1487    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4941    0.4866    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2569    0.1778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3686   -0.6405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1317   -0.9513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7838   -0.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6677    0.3761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9045    0.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 11 12  1  0  0  0  0
  4  6  1  0  0  0  0
 12 13  2  0  0  0  0
  1  2  1  0  0  0  0
 12 14  1  0  0  0  0
  3  7  1  0  0  0  0
 14 15  2  0  0  0  0
  2  4  1  0  0  0  0
 15 16  1  0  0  0  0
 16 19  2  0  0  0  0
  2  8  1  0  0  0  0
 18 17  2  0  0  0  0
 17 14  1  0  0  0  0
  6  9  1  0  0  0  0
 18 19  1  0  0  0  0
  3  5  1  0  0  0  0
 19 20  1  0  0  0  0
  8 10  1  0  0  0  0
 20 21  2  0  0  0  0
 10  7  1  0  0  0  0
 21 22  1  0  0  0  0
 10  9  1  0  0  0  0
 22 23  2  0  0  0  0
 23 18  1  0  0  0  0
  1  3  1  0  0  0  0
  6 11  1  0  0  0  0
  5  6  1  0  0  0  0
M  END
>  <Mol_ID> (3,651)
3651

>  <Formula> (3,651)
C19H21N3O

>  <MolWeight> (3,651)
307.38954

>  <COMPOUND_NAME> (3,651)
WAY-663643

>  <BAR_CODE_NO> (3,651)
90498391

$$$$
WAY-331928
csChFnd80/06171916322D

 32 35  0  0  0  0  0  0  0  0999 V2000
   -4.3458    0.0208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6833    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0958   -0.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2708   -0.7667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0125    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8208    2.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9708    1.7458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833   -1.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6833    1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1083    2.5625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042    3.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5375    2.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042    2.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4083   -1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8208    3.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167    4.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458    1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2583    2.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2583    1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9708    2.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8833   -2.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7167   -1.9292    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0292    3.8083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2250    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2458   -2.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7333   -2.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208    4.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167    5.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5500   -2.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0292    2.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208    5.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042    5.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  2  2  0  0  0  0
  6 12  1  0  0  0  0
  7  9  1  0  0  0  0
  8  3  1  0  0  0  0
  9  2  1  0  0  0  0
 10  6  1  0  0  0  0
 11 13  1  0  0  0  0
 12 18  1  0  0  0  0
 13 10  1  0  0  0  0
 14  8  2  0  0  0  0
 15  6  2  0  0  0  0
 16 11  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19  7  1  0  0  0  0
 20  7  1  0  0  0  0
 21 14  1  0  0  0  0
 22 21  1  0  0  0  0
 23 16  1  0  0  0  0
 24  5  1  0  0  0  0
 25  8  1  0  0  0  0
 26 25  2  0  0  0  0
 27 11  2  0  0  0  0
 28 16  2  0  0  0  0
 29 26  1  0  0  0  0
 30 23  1  0  0  0  0
 31 27  1  0  0  0  0
 32 31  2  0  0  0  0
  5  4  1  0  0  0  0
 29 21  2  0  0  0  0
 12 17  1  0  0  0  0
 28 32  1  0  0  0  0
M  END
>  <Mol_ID> (3,652)
3652

>  <Formula> (3,652)
C25H28ClN3O3

>  <MolWeight> (3,652)
453.96112

>  <COMPOUND_NAME> (3,652)
WAY-331928

>  <BAR_CODE_NO> (3,652)
306929

$$$$
WAY-616363
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -0.6083   -0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083   -2.0542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8208   -2.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042   -1.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042   -2.8750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042   -0.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083    0.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3250   -0.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3250   -1.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5708   -1.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7125   -3.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1250   -2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8208    2.8958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3250    0.8333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042    0.8333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8208    4.5417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042    1.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8208    2.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042    3.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5333    3.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0375   -0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0375   -2.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0458   -3.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5333    4.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042    4.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7542   -0.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7542   -1.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  9  1  0  0  0  0
  3  4  1  0  0  0  0
  4  6  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  2  0  0  0  0
  7  1  1  0  0  0  0
  8  1  1  0  0  0  0
  9  8  2  0  0  0  0
 10  3  2  0  0  0  0
 11  5  1  0  0  0  0
 12 10  1  0  0  0  0
 13 18  1  0  0  0  0
 14  7  2  0  0  0  0
 15  7  1  0  0  0  0
 16 24  1  0  0  0  0
 17 15  1  0  0  0  0
 18 17  1  0  0  0  0
 19 13  1  0  0  0  0
 20 13  1  0  0  0  0
 21  8  1  0  0  0  0
 22  9  1  0  0  0  0
 23 11  1  0  0  0  0
 24 20  1  0  0  0  0
 25 19  1  0  0  0  0
 26 21  2  0  0  0  0
 27 26  1  0  0  0  0
  4  2  2  0  0  0  0
 22 27  2  0  0  0  0
 11 12  2  0  0  0  0
 25 16  1  0  0  0  0
M  END
>  <Mol_ID> (3,653)
3653

>  <Formula> (3,653)
C21H23N3O3

>  <MolWeight> (3,653)
365.42562

>  <COMPOUND_NAME> (3,653)
WAY-616363

>  <BAR_CODE_NO> (3,653)
90450350

$$$$
WAY-616373
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -0.8833    0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833    2.3042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1667    1.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1667    1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833   -0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5458    2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958    1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958    1.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2625   -3.0583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6333    3.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3000    1.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958   -0.5833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4417    3.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8542    2.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6917   -3.8833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1667   -0.5833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5458   -2.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5458   -1.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9750   -2.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2625   -3.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3125    0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3125    2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1667   -1.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9750   -4.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6917   -3.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0250    1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0250    1.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  8  2  0  0  0  0
  3  4  2  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  1  2  0  0  0  0
  8  7  1  0  0  0  0
  9 17  1  0  0  0  0
 10  6  1  0  0  0  0
 11  6  2  0  0  0  0
 12  5  2  0  0  0  0
 13 10  1  0  0  0  0
 14 11  1  0  0  0  0
 15 24  1  0  0  0  0
 16  5  1  0  0  0  0
 17 18  1  0  0  0  0
 18 23  1  0  0  0  0
 19  9  1  0  0  0  0
 20  9  1  0  0  0  0
 21  7  1  0  0  0  0
 22  8  1  0  0  0  0
 23 16  1  0  0  0  0
 24 20  1  0  0  0  0
 25 19  1  0  0  0  0
 26 21  2  0  0  0  0
 27 26  1  0  0  0  0
  3  2  1  0  0  0  0
 22 27  2  0  0  0  0
 14 13  2  0  0  0  0
 25 15  1  0  0  0  0
M  END
>  <Mol_ID> (3,654)
3654

>  <Formula> (3,654)
C21H23N3O3

>  <MolWeight> (3,654)
365.42562

>  <COMPOUND_NAME> (3,654)
WAY-616373

>  <BAR_CODE_NO> (3,654)
90450360

$$$$
WAY-278456
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    0.4667    0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042    0.0708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292    0.5125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667   -0.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042    0.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4708    0.0708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333    1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958   -0.8292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417   -0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042   -1.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2875   -0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8500   -1.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0667   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9500   -1.0875    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333    1.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0708    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708    2.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5125    1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3125    1.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  2  2  0  0  0  0
  6  4  1  0  0  0  0
  7  3  2  0  0  0  0
  8  3  2  0  0  0  0
  9  5  1  0  0  0  0
 10  3  1  0  0  0  0
 11  4  1  0  0  0  0
 12  9  1  0  0  0  0
 13  9  2  0  0  0  0
 14 15  2  0  0  0  0
 15 13  1  0  0  0  0
 16 12  2  0  0  0  0
 17 14  1  0  0  0  0
 18 10  2  0  0  0  0
 19 10  1  0  0  0  0
 20 11  1  0  0  0  0
 21 18  1  0  0  0  0
 22 19  2  0  0  0  0
 23 22  1  0  0  0  0
  6  5  1  0  0  0  0
 23 21  2  0  0  0  0
 16 14  1  0  0  0  0
M  END
>  <Mol_ID> (3,655)
3655

>  <Formula> (3,655)
C16H13FN2O3S

>  <MolWeight> (3,655)
332.3494232

>  <COMPOUND_NAME> (3,655)
WAY-278456

>  <BAR_CODE_NO> (3,655)
389111

$$$$
WAY-330859
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
  -11.2583    9.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3125    8.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7917    8.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4208    6.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7917   10.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4208    8.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3125   10.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7917    5.7167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8292    9.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8042    6.8750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0542    5.7167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0000   12.3792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -13.6042   11.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7917    4.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7917    0.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4208   11.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7917   -0.6167    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4042    3.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1583    3.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4000    1.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1667    1.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0542    8.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.1917   11.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0542   10.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.1917   13.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8167   12.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.6042   13.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  3  2  0  0  0  0
  7  1  1  0  0  0  0
  8  4  1  0  0  0  0
  9  1  1  0  0  0  0
 10  2  2  0  0  0  0
 11  4  2  0  0  0  0
 12 23  2  0  0  0  0
 13  9  1  0  0  0  0
 14  8  1  0  0  0  0
 15 21  2  0  0  0  0
 16  5  2  0  0  0  0
 17 15  1  0  0  0  0
 18 14  1  0  0  0  0
 19 14  2  0  0  0  0
 20 18  2  0  0  0  0
 21 19  1  0  0  0  0
 22  6  1  0  0  0  0
 23 13  1  0  0  0  0
 24 16  1  0  0  0  0
 25 27  2  0  0  0  0
 26 13  2  0  0  0  0
 27 26  1  0  0  0  0
  5  3  1  0  0  0  0
 24 22  2  0  0  0  0
 25 12  1  0  0  0  0
 20 15  1  0  0  0  0
M  END
>  <Mol_ID> (3,656)
3656

>  <Formula> (3,656)
C21H16FN3O2

>  <MolWeight> (3,656)
361.3690432

>  <COMPOUND_NAME> (3,656)
WAY-330859

>  <BAR_CODE_NO> (3,656)
305860

$$$$
WAY-643481
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -0.0250   -1.7667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292   -2.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667    2.4250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208   -3.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3833   -2.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8333   -1.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3500    3.0958    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0792    2.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167    1.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792    3.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1333   -2.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667    3.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5250   -1.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0375   -2.7250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667    1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9292    1.4708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.2458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333   -0.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708   -3.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1750    3.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333    2.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333    3.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6833   -3.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6208   -4.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458    2.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458    3.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4250   -4.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  9  1  0  0  0  0
  4  2  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  3  1  0  0  0  0
  9 16  1  0  0  0  0
 10  8  2  0  0  0  0
 11  5  1  0  0  0  0
 12  7  1  0  0  0  0
 13  1  1  0  0  0  0
 14 13  1  0  0  0  0
 15  2  2  0  0  0  0
 16 18  1  0  0  0  0
 17  9  2  0  0  0  0
 18 14  1  0  0  0  0
 19 14  2  0  0  0  0
 20  4  1  0  0  0  0
 21  7  1  0  0  0  0
 22  8  1  0  0  0  0
 23 10  1  0  0  0  0
 24 11  1  0  0  0  0
 25 20  2  0  0  0  0
 26 22  2  0  0  0  0
 27 26  1  0  0  0  0
 28 24  2  0  0  0  0
 11  4  2  0  0  0  0
 25 28  1  0  0  0  0
 10 12  1  0  0  0  0
 27 23  2  0  0  0  0
M  END
>  <Mol_ID> (3,657)
3657

>  <Formula> (3,657)
C21H19N3O4

>  <MolWeight> (3,657)
377.39326

>  <COMPOUND_NAME> (3,657)
WAY-643481

>  <BAR_CODE_NO> (3,657)
90478053

$$$$
WAY-333951
csChFnd80/06171916322D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -0.7125    3.0208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1208    2.1833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4625    1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    2.7583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7958    1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5375    0.9208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7125    0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583    2.2250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708    3.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667    3.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6750    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375    4.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792    2.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0167    4.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542    2.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6250    3.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3 11  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  2  0  0  0  0
  6  7  1  0  0  0  0
  7  3  2  0  0  0  0
  8  1  2  0  0  0  0
  9  1  2  0  0  0  0
 10  1  1  0  0  0  0
 11  4  1  0  0  0  0
 12  5  1  0  0  0  0
 13 10  1  0  0  0  0
 14 10  2  0  0  0  0
 15 13  2  0  0  0  0
 16 14  1  0  0  0  0
 17 16  2  0  0  0  0
 15 17  1  0  0  0  0
  6  5  1  0  0  0  0
M  END
>  <Mol_ID> (3,658)
3658

>  <Formula> (3,658)
C11H12N2O2S2

>  <MolWeight> (3,658)
268.35518

>  <COMPOUND_NAME> (3,658)
WAY-333951

>  <BAR_CODE_NO> (3,658)
308952

$$$$
WAY-333950
csChFnd80/06171916322D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -0.7125    3.0208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1208    2.1833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4625    1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    2.7583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7958    1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5375    0.9208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667    3.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7125    0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708    3.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583    2.2250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0167    3.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6750    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4042    4.0250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    3.7458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6750    2.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375    4.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6167    3.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4500    2.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0125    4.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8542    2.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3 12  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  2  0  0  0  0
  6  8  1  0  0  0  0
  7  1  1  0  0  0  0
  8  3  2  0  0  0  0
  9  1  2  0  0  0  0
 10  1  2  0  0  0  0
 11 13  1  0  0  0  0
 12  4  1  0  0  0  0
 13 17  1  0  0  0  0
 14 11  2  0  0  0  0
 15  7  2  0  0  0  0
 16  7  1  0  0  0  0
 17 19  1  0  0  0  0
 18 15  1  0  0  0  0
 19 16  2  0  0  0  0
 20  5  1  0  0  0  0
 21 11  1  0  0  0  0
 17 18  2  0  0  0  0
  6  5  1  0  0  0  0
M  END
>  <Mol_ID> (3,659)
3659

>  <Formula> (3,659)
C13H15N3O3S2

>  <MolWeight> (3,659)
325.4065

>  <COMPOUND_NAME> (3,659)
WAY-333950

>  <BAR_CODE_NO> (3,659)
308951

$$$$
WAY-333963
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -0.7125    3.0208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667    3.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1208    2.1833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7958    1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5375    0.9208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4625    1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    2.7583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417    4.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7125    0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792    2.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708    3.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583    2.2250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6750    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4625    2.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0250    4.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042    1.9083    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6292    3.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1917    5.1292    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7458    2.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1750    1.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9583    1.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5333    3.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1292    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  6  1  0  0  0  0
  4  3  2  0  0  0  0
  5  9  1  0  0  0  0
  6 13  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  6  2  0  0  0  0
 10  2  2  0  0  0  0
 11  1  2  0  0  0  0
 12  1  2  0  0  0  0
 13  7  1  0  0  0  0
 14  4  1  0  0  0  0
 15 10  1  0  0  0  0
 16  8  2  0  0  0  0
 17 10  1  0  0  0  0
 18 15  2  0  0  0  0
 19 16  1  0  0  0  0
 20 14  2  0  0  0  0
 21 14  1  0  0  0  0
 22 21  2  0  0  0  0
 23 20  1  0  0  0  0
 24 22  1  0  0  0  0
 16 18  1  0  0  0  0
  5  4  1  0  0  0  0
 24 23  2  0  0  0  0
M  END
>  <Mol_ID> (3,660)
3660

>  <Formula> (3,660)
C16H12F2N2O2S2

>  <MolWeight> (3,660)
366.4054864

>  <COMPOUND_NAME> (3,660)
WAY-333963

>  <BAR_CODE_NO> (3,660)
308964

$$$$
WAY-278550
csChFnd80/06171916322D

 36 40  0  0  0  0  0  0  0  0999 V2000
   -2.0208   -0.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1000   -1.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458   -1.0875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000   -0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6458   -0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0208    0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7833   -0.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000    0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208   -0.7292    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.2625   -0.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7833    0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833   -1.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000   -1.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1625   -0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6458    0.2708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7625   -2.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458   -1.5292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1000   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1625    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458   -2.6667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5458   -0.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2000   -2.2875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5458    0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9458   -0.6667    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.0208   -1.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7833   -1.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3458   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375   -0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7833   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0208   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000   -1.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  5  2  0  0  0  0
  4  1  2  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8  6  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
 11  8  1  0  0  0  0
 12  2  1  0  0  0  0
 13  4  1  0  0  0  0
 14  7  1  0  0  0  0
 15  6  2  0  0  0  0
 16 23  1  0  0  0  0
 17  9  1  0  0  0  0
 18 12  2  0  0  0  0
 19 12  1  0  0  0  0
 20 11  1  0  0  0  0
 21 16  2  0  0  0  0
 22 14  2  0  0  0  0
 23 19  1  0  0  0  0
 24 16  1  0  0  0  0
 25 20  2  0  0  0  0
 26 22  1  0  0  0  0
 27 13  1  0  0  0  0
 28 13  2  0  0  0  0
 29 17  2  0  0  0  0
 30 17  1  0  0  0  0
 31 29  1  0  0  0  0
 32 30  2  0  0  0  0
 33 28  1  0  0  0  0
 34 27  2  0  0  0  0
 35 32  1  0  0  0  0
 36 33  2  0  0  0  0
 11  7  2  0  0  0  0
  9  2  1  0  0  0  0
 25 22  1  0  0  0  0
 36 34  1  0  0  0  0
 35 31  2  0  0  0  0
M  END
>  <Mol_ID> (3,661)
3661

>  <Formula> (3,661)
C28H22ClN3O4

>  <MolWeight> (3,661)
499.94498

>  <COMPOUND_NAME> (3,661)
WAY-278550

>  <BAR_CODE_NO> (3,661)
389205

$$$$
WAY-331855
csChFnd80/06171916322D

 30 32  0  0  0  0  0  0  0  0999 V2000
  -13.2500   -2.4542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2750    1.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8542   -4.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7125    2.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.6417   -0.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5417    0.9125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2083   -1.2292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8750    0.0833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9583   -2.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4667    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4125    2.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8292    1.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6875   -2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -14.8292   -2.8417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -14.0000   -5.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7125   -1.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8208    0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9000   -0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9875    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3167    3.5958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2833   -3.9167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4250   -1.8167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3417   -4.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.5917   -4.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.5542   -6.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208   -2.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0000   -3.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8750   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042   -2.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0000   -7.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  8  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7 17  1  0  0  0  0
  8 10  1  0  0  0  0
  9  7  1  0  0  0  0
 10  5  1  0  0  0  0
 11 12  1  0  0  0  0
 12 10  2  0  0  0  0
 13  1  2  0  0  0  0
 14  1  2  0  0  0  0
 15  3  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18  6  1  0  0  0  0
 19  6  1  0  0  0  0
 20  4  2  0  0  0  0
 21  9  2  0  0  0  0
 22  9  1  0  0  0  0
 23  3  1  0  0  0  0
 24 15  1  0  0  0  0
 25 15  1  0  0  0  0
 26 22  1  0  0  0  0
 27 24  1  0  0  0  0
 28 23  2  0  0  0  0
 29 26  1  0  0  0  0
 30 28  1  0  0  0  0
  2 11  2  0  0  0  0
 25 30  2  0  0  0  0
 16  7  1  0  0  0  0
M  END
>  <Mol_ID> (3,662)
3662

>  <Formula> (3,662)
C20H24N2O7S

>  <MolWeight> (3,662)
436.47876

>  <COMPOUND_NAME> (3,662)
WAY-331855

>  <BAR_CODE_NO> (3,662)
306856

$$$$
WAY-331869
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
  -13.2500   -2.4542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8542   -4.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0417    1.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.6417   -0.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4167    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9250   -0.2417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4667    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9750    2.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5042   -0.1125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5167    1.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6875   -2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -14.8292   -2.8417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -14.0000   -5.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7292    2.6708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9083   -0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3417   -4.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.5917   -4.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.5542   -6.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0000   -3.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2083    1.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0083   -1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8750   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0000   -7.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5958    1.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4000   -1.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6708    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  6  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  7  1  0  0  0  0
  7  4  1  0  0  0  0
  8 10  1  0  0  0  0
  9  5  1  0  0  0  0
 10  7  2  0  0  0  0
 11  1  2  0  0  0  0
 12  1  2  0  0  0  0
 13  2  2  0  0  0  0
 14  5  2  0  0  0  0
 15  9  1  0  0  0  0
 16  2  1  0  0  0  0
 17 13  1  0  0  0  0
 18 13  1  0  0  0  0
 19 17  1  0  0  0  0
 20 15  1  0  0  0  0
 21 15  1  0  0  0  0
 22 16  2  0  0  0  0
 23 22  1  0  0  0  0
 24 20  1  0  0  0  0
 25 21  1  0  0  0  0
 26 25  1  0  0  0  0
  3  8  2  0  0  0  0
 18 23  2  0  0  0  0
 26 24  1  0  0  0  0
M  END
>  <Mol_ID> (3,663)
3663

>  <Formula> (3,663)
C19H23NO5S

>  <MolWeight> (3,663)
377.45462

>  <COMPOUND_NAME> (3,663)
WAY-331869

>  <BAR_CODE_NO> (3,663)
306870

$$$$
WAY-331380
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -8.9458   11.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2125   11.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8000   12.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9250   14.4875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7000    9.8375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4708    9.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0875    8.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3458   12.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2000   14.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0875    7.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6250    1.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5500   13.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5875    6.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5875    6.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7750   16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6250   -0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1250    1.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6417   12.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3250   15.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0875    1.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6250    1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1250   -1.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0875    3.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6250   -0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5875    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1500   -1.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7625   14.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6000   15.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  2  0  0  0  0
  8  2  1  0  0  0  0
  9  4  1  0  0  0  0
 10  7  1  0  0  0  0
 11 20  1  0  0  0  0
 12  3  2  0  0  0  0
 13 10  2  0  0  0  0
 14 10  1  0  0  0  0
 15  4  1  0  0  0  0
 16 11  1  0  0  0  0
 17 11  1  0  0  0  0
 18  8  2  0  0  0  0
 19  9  2  0  0  0  0
 20 23  1  0  0  0  0
 21 17  1  0  0  0  0
 22 16  1  0  0  0  0
 23 25  1  0  0  0  0
 24 21  1  0  0  0  0
 25 14  1  0  0  0  0
 26 24  1  0  0  0  0
 27 18  1  0  0  0  0
 28 19  1  0  0  0  0
  5  7  1  0  0  0  0
  9  8  1  0  0  0  0
 28 27  2  0  0  0  0
 24 22  1  0  0  0  0
M  END
>  <Mol_ID> (3,664)
3664

>  <Formula> (3,664)
C22H27N3O2S

>  <MolWeight> (3,664)
397.53368

>  <COMPOUND_NAME> (3,664)
WAY-331380

>  <BAR_CODE_NO> (3,664)
306381

$$$$
WAY-624687
csChFnd80/06171916322D

 20 23  0  0  0  0  0  0  0  0999 V2000
   -0.3750    0.5583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3417    0.1458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1583    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750    1.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6458    0.9708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1583    1.6333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0542    0.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3417    1.7958    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667    0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5250    0.4833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0542    1.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4125   -0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8542   -0.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0750   -0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9250   -2.0542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6625   -0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4750   -1.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208   -1.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2208   -0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8625   -1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  2  0  0  0  0
  6  4  2  0  0  0  0
  7  2  2  0  0  0  0
  8  4  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11  8  1  0  0  0  0
 12  3  1  0  0  0  0
 13  9  2  0  0  0  0
 14 10  1  0  0  0  0
 15 18  2  0  0  0  0
 16 13  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 12  1  0  0  0  0
 20 12  2  0  0  0  0
  5  6  1  0  0  0  0
 11  7  1  0  0  0  0
 15 17  1  0  0  0  0
 14 16  2  0  0  0  0
M  END
>  <Mol_ID> (3,665)
3665

>  <Formula> (3,665)
C13H9N5S2

>  <MolWeight> (3,665)
299.37406

>  <COMPOUND_NAME> (3,665)
WAY-624687

>  <BAR_CODE_NO> (3,665)
90458863

$$$$
WAY-643099
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
    0.4375   -0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3833   -0.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5583   -0.9167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542   -1.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667   -0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6750    0.6875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0875    1.4083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8500    0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6750    2.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8500    2.1208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3083   -1.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0875    2.8333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9125    2.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4375    1.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6250    3.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6250    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9750   -0.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958   -2.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9375    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417   -2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8208   -1.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7333   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1500   -2.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5708   -2.2625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6583   -3.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6  8  2  0  0  0  0
  7  6  1  0  0  0  0
  8  1  1  0  0  0  0
  9 10  1  0  0  0  0
 10 14  1  0  0  0  0
 11  3  1  0  0  0  0
 12  9  1  0  0  0  0
 13 12  1  0  0  0  0
 14  8  1  0  0  0  0
 15 13  1  0  0  0  0
 16 13  1  0  0  0  0
 17 11  2  0  0  0  0
 18 11  1  0  0  0  0
 19  2  1  0  0  0  0
 20  4  1  0  0  0  0
 21 23  1  0  0  0  0
 22 17  1  0  0  0  0
 23 18  2  0  0  0  0
 24 21  1  0  0  0  0
 25 24  1  0  0  0  0
  4  3  1  0  0  0  0
  9  7  2  0  0  0  0
 21 22  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (3,666)
3666

>  <Formula> (3,666)
C19H22N4OS

>  <MolWeight> (3,666)
354.46918

>  <COMPOUND_NAME> (3,666)
WAY-643099

>  <BAR_CODE_NO> (3,666)
90477668

$$$$
WAY-624485
csChFnd80/06171916322D

 24 27  0  0  0  0  0  0  0  0999 V2000
    0.1292    1.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6167    2.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292    2.9208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1708    0.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0875   -0.5917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3875    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8917   -0.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583    1.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583    2.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4500   -0.1542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1500   -1.5542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1917    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6000   -2.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542   -2.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4417    2.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3000   -3.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708    1.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708    3.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583   -2.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083   -1.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083   -3.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542   -4.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0833    1.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0833    2.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  6  2  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7 10  1  0  0  0  0
  8  1  1  0  0  0  0
  9  8  2  0  0  0  0
 10 12  1  0  0  0  0
 11  7  1  0  0  0  0
 12  6  1  0  0  0  0
 13 11  1  0  0  0  0
 14 13  2  0  0  0  0
 15  2  1  0  0  0  0
 16 14  1  0  0  0  0
 17  8  1  0  0  0  0
 18  9  1  0  0  0  0
 19 20  2  0  0  0  0
 20 13  1  0  0  0  0
 21 19  1  0  0  0  0
 22 16  1  0  0  0  0
 23 17  2  0  0  0  0
 24 23  1  0  0  0  0
  9  3  1  0  0  0  0
 24 18  2  0  0  0  0
  7  5  2  0  0  0  0
 21 16  2  0  0  0  0
M  END
>  <Mol_ID> (3,667)
3667

>  <Formula> (3,667)
C19H18N4S

>  <MolWeight> (3,667)
334.43802

>  <COMPOUND_NAME> (3,667)
WAY-624485

>  <BAR_CODE_NO> (3,667)
90458661

$$$$
WAY-616093
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -1.1167   -1.6542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3583    1.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7708    1.9167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3583    2.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5292   -2.3708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5333    1.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5333    2.6333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7042   -0.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8292   -1.2417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4000   -2.0667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7708    3.3458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5958    3.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1208    0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1208    1.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3125    2.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3125    3.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1208   -0.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1167   -0.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7042    0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5333   -0.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3542   -2.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1167   -3.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5292   -3.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7667   -3.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3542   -3.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  6  2  0  0  0  0
  3  2  1  0  0  0  0
  4  7  1  0  0  0  0
  5  1  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8  1  1  0  0  0  0
  9  1  2  0  0  0  0
 10  1  2  0  0  0  0
 11  4  1  0  0  0  0
 12 11  1  0  0  0  0
 13 19  2  0  0  0  0
 14  6  1  0  0  0  0
 15 12  1  0  0  0  0
 16 12  1  0  0  0  0
 17  8  1  0  0  0  0
 18  8  2  0  0  0  0
 19 18  1  0  0  0  0
 20 17  2  0  0  0  0
 21  5  1  0  0  0  0
 22  5  1  0  0  0  0
 23 22  1  0  0  0  0
 24 21  1  0  0  0  0
 25 23  1  0  0  0  0
 20 13  1  0  0  0  0
 24 25  1  0  0  0  0
  3  4  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (3,668)
3668

>  <Formula> (3,668)
C17H22N4O2S2

>  <MolWeight> (3,668)
378.51218

>  <COMPOUND_NAME> (3,668)
WAY-616093

>  <BAR_CODE_NO> (3,668)
90450073

$$$$
CL-104659
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
    3.3293   -0.3668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3293    1.1394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9898   -1.1394    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6743   -1.1394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9898    1.9120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6743    1.9287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6614   -0.3835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0027   -0.3668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6614    1.1394    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9898    3.4516    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0027    1.1561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6614   -1.1561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9898   -0.3835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3293   -1.1561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6743   -0.3835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3293   -2.6957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0027   -1.1394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6743   -3.4516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0027   -2.6845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (3,669)
3669

>  <Formula> (3,669)
C16H12N2O

>  <MolWeight> (3,669)
248.27928

>  <COMPOUND_NAME> (3,669)
CL-104659

>  <BAR_CODE_NO> (3,669)
90479717

$$$$
WAY-624486
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -0.8958    2.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8958    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292   -2.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6083    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2500   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2500   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6083    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833    4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2500    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6083    4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8958    4.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2500   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2500   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  1  1  0  0  0  0
  4 11  1  0  0  0  0
  5 13  1  0  0  0  0
  6  1  1  0  0  0  0
  7  1  2  0  0  0  0
  8  3  1  0  0  0  0
  9  2  1  0  0  0  0
 10  2  1  0  0  0  0
 11 10  1  0  0  0  0
 12  9  1  0  0  0  0
 13  8  1  0  0  0  0
 14  4  1  0  0  0  0
 15  3  2  0  0  0  0
 16  7  1  0  0  0  0
 17  5  2  0  0  0  0
 18  6  1  0  0  0  0
 19 16  1  0  0  0  0
 20 14  1  0  0  0  0
 21 14  2  0  0  0  0
 22 21  1  0  0  0  0
 23 20  2  0  0  0  0
 24 22  2  0  0  0  0
 19 18  1  0  0  0  0
  4 12  1  0  0  0  0
 24 23  1  0  0  0  0
M  END
>  <Mol_ID> (3,670)
3670

>  <Formula> (3,670)
C17H20N2O5

>  <MolWeight> (3,670)
332.3511

>  <COMPOUND_NAME> (3,670)
WAY-624486

>  <BAR_CODE_NO> (3,670)
90458662

$$$$
WAY-332829
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   12.7125   -4.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0625   -3.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2417   -2.1417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.2875   -4.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6167   -2.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9125   -6.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3250   -6.0375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2417   -0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -2.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7125   -7.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6167    0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5292   -7.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9375  -10.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9375   -7.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3250   -8.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5292  -10.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1500   -8.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1500  -11.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5542  -11.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  3  1  0  0  0  0
  9  5  1  0  0  0  0
 10  6  2  0  0  0  0
 11  8  2  0  0  0  0
 12  9  2  0  0  0  0
 13  7  1  0  0  0  0
 14 17  2  0  0  0  0
 15 13  1  0  0  0  0
 16 13  2  0  0  0  0
 17 16  1  0  0  0  0
 18 15  2  0  0  0  0
 19 14  1  0  0  0  0
 20 19  1  0  0  0  0
  3  5  1  0  0  0  0
 11 12  1  0  0  0  0
 14 18  1  0  0  0  0
M  END
>  <Mol_ID> (3,671)
3671

>  <Formula> (3,671)
C15H13N3O2

>  <MolWeight> (3,671)
267.28262

>  <COMPOUND_NAME> (3,671)
WAY-332829

>  <BAR_CODE_NO> (3,671)
307830

$$$$
WAY-642011
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -0.5875   -0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8583   -0.6542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9167    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708   -1.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.3958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5875   -1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750    0.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542    0.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4125    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8292    1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0792    1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6833   -0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6625    1.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083    1.0708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0125    0.9625    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3375   -0.5417    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.4292   -0.1292    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6333    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6333   -2.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0958    0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0958   -1.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9208   -1.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9208    0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3333   -0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  9  2  0  0  0  0
  5  7  2  0  0  0  0
  6 13  1  0  0  0  0
  7  1  1  0  0  0  0
  8  4  1  0  0  0  0
  9  6  1  0  0  0  0
 10  1  1  0  0  0  0
 11  6  1  0  0  0  0
 12 14  2  0  0  0  0
 13 10  1  0  0  0  0
 14 11  1  0  0  0  0
 15  3  1  0  0  0  0
 16 11  2  0  0  0  0
 17 10  2  0  0  0  0
 18  8  1  0  0  0  0
 19  8  1  0  0  0  0
 20  8  1  0  0  0  0
 21  2  1  0  0  0  0
 22  5  1  0  0  0  0
 23 15  1  0  0  0  0
 24 15  2  0  0  0  0
 25 24  1  0  0  0  0
 26 23  2  0  0  0  0
 27 25  2  0  0  0  0
  3  5  1  0  0  0  0
 12  4  1  0  0  0  0
 27 26  1  0  0  0  0
M  END
>  <Mol_ID> (3,672)
3672

>  <Formula> (3,672)
C20H17F3N2O2

>  <MolWeight> (3,672)
374.3563896

>  <COMPOUND_NAME> (3,672)
WAY-642011

>  <BAR_CODE_NO> (3,672)
90476565

$$$$
WAY-332716
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   10.1917    6.9875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2292    7.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3167    0.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9417    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2542    5.5917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1292    1.8500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6750    1.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8667    4.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1417    3.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9417    1.0333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.0875    9.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3042   -1.2542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5042    3.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7000    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6542    4.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9125    0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1417    9.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8667   10.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7875   13.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7167   12.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   11.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6500   14.9875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.7292    1.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9125   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  6  1  0  0  0  0
  4  1  2  0  0  0  0
  5  2  2  0  0  0  0
  6  9  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  1  0  0  0  0
  9  4  1  0  0  0  0
 10  7  1  0  0  0  0
 11  2  1  0  0  0  0
 12  3  2  0  0  0  0
 13  7  2  0  0  0  0
 14 10  1  0  0  0  0
 15 13  1  0  0  0  0
 16  6  1  0  0  0  0
 17 11  1  0  0  0  0
 18 11  2  0  0  0  0
 19 20  2  0  0  0  0
 20 18  1  0  0  0  0
 21 17  2  0  0  0  0
 22 19  1  0  0  0  0
 23 16  1  0  0  0  0
 24 16  1  0  0  0  0
  8  5  1  0  0  0  0
 19 21  1  0  0  0  0
 14 15  2  0  0  0  0
M  END
>  <Mol_ID> (3,673)
3673

>  <Formula> (3,673)
C17H16ClN3O2S

>  <MolWeight> (3,673)
361.84584

>  <COMPOUND_NAME> (3,673)
WAY-332716

>  <BAR_CODE_NO> (3,673)
307717

$$$$
WAY-278537
csChFnd80/06171916322D

 17 18  0  0  0  0  0  0  0  0999 V2000
    2.1791    0.5483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4170    1.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3584   -0.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7308    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1278    1.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1895    3.2552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1067   -2.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4412   -0.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8864    0.5241    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6653   -2.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4381    0.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4722   -3.4586    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.1864   -0.7655    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4381    1.6828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7036   -0.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8830    1.1069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8968   -1.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  7 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
  8 10  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <Mol_ID> (3,674)
3674

>  <Formula> (3,674)
C11H9BrN2OS2

>  <MolWeight> (3,674)
329.23596

>  <COMPOUND_NAME> (3,674)
WAY-278537

>  <BAR_CODE_NO> (3,674)
389191

$$$$
WAY-641820
csChFnd80/06171916322D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -1.1500   -2.9750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6625   -2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6625   -3.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167   -3.3875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167   -2.5625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3250    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2250    1.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208   -1.5250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1333    1.4458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208   -4.4292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333    2.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292    1.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292    3.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5875    2.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5250    3.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8792    3.7333    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708    0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708   -0.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6208   -0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  2  2  0  0  0  0
  6 17  1  0  0  0  0
  7  6  1  0  0  0  0
  8  2  1  0  0  0  0
  9  6  2  0  0  0  0
 10  3  1  0  0  0  0
 11  7  2  0  0  0  0
 12  7  1  0  0  0  0
 13 14  1  0  0  0  0
 14 12  2  0  0  0  0
 15 11  1  0  0  0  0
 16 13  1  0  0  0  0
 17 19  1  0  0  0  0
 18  8  1  0  0  0  0
 19 18  1  0  0  0  0
  5  4  1  0  0  0  0
 13 15  2  0  0  0  0
M  END
>  <Mol_ID> (3,675)
3675

>  <Formula> (3,675)
C12H12FN3OS2

>  <MolWeight> (3,675)
297.3715832

>  <COMPOUND_NAME> (3,675)
WAY-641820

>  <BAR_CODE_NO> (3,675)
90476373

$$$$
WAY-330162
csChFnd80/06171916322D

 30 32  0  0  0  0  0  0  0  0999 V2000
    8.4625   -6.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2375   -4.6375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.2125   -5.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2125   -5.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0125   -5.4250    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.0750   -6.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5625   -5.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4625   -4.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8875   -4.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2625   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8875   -6.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9125   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5875   -4.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8500   -3.9625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6250   -5.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9375   -4.6375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5625   -5.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4625   -7.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2625   -3.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9500   -5.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6250   -6.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6250   -5.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3125   -6.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2250   -5.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3125   -7.7625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3000   -6.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -5.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3125   -5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9875   -6.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9875   -8.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7 17  1  0  0  0  0
  8  5  1  0  0  0  0
  9  4  1  0  0  0  0
 10 13  1  0  0  0  0
 11  3  1  0  0  0  0
 12  2  1  0  0  0  0
 13 12  1  0  0  0  0
 14  2  2  0  0  0  0
 15  2  2  0  0  0  0
 16 10  1  0  0  0  0
 17 11  2  0  0  0  0
 18  6  2  0  0  0  0
 19 10  2  0  0  0  0
 20 16  1  0  0  0  0
 21 22  2  0  0  0  0
 22 20  1  0  0  0  0
 23 21  1  0  0  0  0
 24  5  1  0  0  0  0
 25 23  1  0  0  0  0
 26  6  1  0  0  0  0
 27 28  2  0  0  0  0
 28 22  1  0  0  0  0
 29 27  1  0  0  0  0
 30 25  1  0  0  0  0
  4  8  1  0  0  0  0
  9  7  2  0  0  0  0
 29 23  2  0  0  0  0
M  END
>  <Mol_ID> (3,676)
3676

>  <Formula> (3,676)
C22H26N2O5S

>  <MolWeight> (3,676)
430.51724

>  <COMPOUND_NAME> (3,676)
WAY-330162

>  <BAR_CODE_NO> (3,676)
305163

$$$$
WAY-616179
csChFnd80/06171916322D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -0.3583    1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583    0.2083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542    1.4458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0750    1.4458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542   -0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542   -1.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583    2.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542    2.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0750    2.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583   -1.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0708   -1.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0708   -2.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583   -2.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542   -2.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  5  1  0  0  0  0
  7  9  1  0  0  0  0
  8  3  1  0  0  0  0
  9  4  1  0  0  0  0
 10  6  1  0  0  0  0
 11  6  2  0  0  0  0
 12 11  1  0  0  0  0
 13 10  2  0  0  0  0
 14 12  2  0  0  0  0
  8  7  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (3,677)
3677

>  <Formula> (3,677)
C11H14N2S

>  <MolWeight> (3,677)
206.30726

>  <COMPOUND_NAME> (3,677)
WAY-616179

>  <BAR_CODE_NO> (3,677)
90450160

$$$$
WAY-643615
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
    0.7667   -1.3042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458   -1.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3583    0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958   -0.3500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.3583    1.9458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8750    1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542    0.2625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167   -0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1458    0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1250   -0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1458    1.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0167   -2.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5958   -1.7417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542    1.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8292   -2.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8583    0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6750   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6125    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8583    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1875   -1.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5708    0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4792   -0.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5708    1.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7375   -1.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  7  1  0  0  0  0
  4  2  1  0  0  0  0
  5  6  1  0  0  0  0
  6  3  2  0  0  0  0
  7  4  1  0  0  0  0
  8  4  1  0  0  0  0
  9  1  1  0  0  0  0
 10  3  1  0  0  0  0
 11  9  1  0  0  0  0
 12 10  2  0  0  0  0
 13  8  1  0  0  0  0
 14  1  1  0  0  0  0
 15  2  2  0  0  0  0
 16 18  1  0  0  0  0
 17 13  2  0  0  0  0
 18 14  1  0  0  0  0
 19 10  1  0  0  0  0
 20 11  1  0  0  0  0
 21 13  1  0  0  0  0
 22 12  1  0  0  0  0
 23 16  1  0  0  0  0
 24 19  2  0  0  0  0
 25 20  2  0  0  0  0
 26 24  1  0  0  0  0
 27 23  2  0  0  0  0
 16 11  2  0  0  0  0
 25 27  1  0  0  0  0
 12  5  1  0  0  0  0
 26 22  2  0  0  0  0
M  END
>  <Mol_ID> (3,678)
3678

>  <Formula> (3,678)
C22H23N3O2

>  <MolWeight> (3,678)
361.43692

>  <COMPOUND_NAME> (3,678)
WAY-643615

>  <BAR_CODE_NO> (3,678)
90478187

$$$$
WAY-333290
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    8.3792  -12.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7167  -13.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0292  -11.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8292  -13.8792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2792  -12.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1292  -11.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9292  -13.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5917  -10.2792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5792  -12.4167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7792  -10.5167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5500  -11.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2542   -8.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8625  -13.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8875  -10.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6167   -9.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3542   -9.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8042   -7.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5292   -9.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4667  -11.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1292  -12.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4542   -7.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5417   -7.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  5  2  0  0  0  0
  8  3  2  0  0  0  0
  9  6  2  0  0  0  0
 10  6  1  0  0  0  0
 11  5  1  0  0  0  0
 12 15  1  0  0  0  0
 13  7  1  0  0  0  0
 14 10  1  0  0  0  0
 15 18  1  0  0  0  0
 16 12  2  0  0  0  0
 17 12  1  0  0  0  0
 18 14  1  0  0  0  0
 19 11  2  0  0  0  0
 20 19  1  0  0  0  0
 21 17  2  0  0  0  0
 22 16  1  0  0  0  0
 23 21  1  0  0  0  0
  7  4  1  0  0  0  0
 13 20  2  0  0  0  0
 23 22  2  0  0  0  0
M  END
>  <Mol_ID> (3,679)
3679

>  <Formula> (3,679)
C19H18N2O2

>  <MolWeight> (3,679)
306.35842

>  <COMPOUND_NAME> (3,679)
WAY-333290

>  <BAR_CODE_NO> (3,679)
308291

$$$$
WAY-333289
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    2.4307   -0.4676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6411   -0.2158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4376   -1.2986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1480   -0.0469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1583   -0.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3790    0.5669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6514   -1.5607    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1583   -1.7055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8687   -0.4572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5514    0.5704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8618    1.2359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8756   -1.2848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1445   -0.1400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1411    1.2876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6831   -0.1400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0900    0.5738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9175    0.5807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3348   -0.1331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3279    1.2980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1624   -0.1296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1520    1.3014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5693    0.5876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3969    0.5911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8141   -0.1227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  6 10  1  0  0  0  0
  6 11  2  0  0  0  0
  8 12  2  0  0  0  0
 10 13  1  0  0  0  0
 10 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
  5  7  1  0  0  0  0
  9 12  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (3,680)
3680

>  <Formula> (3,680)
C19H18N2O3

>  <MolWeight> (3,680)
322.35782

>  <COMPOUND_NAME> (3,680)
WAY-333289

>  <BAR_CODE_NO> (3,680)
308290

$$$$
WAY-616838
csChFnd80/06171916322D

 35 38  0  0  0  0  0  0  0  0999 V2000
    2.2250   -0.5167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6167   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4042   -0.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9375   -0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3958    0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8875    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6167    0.6083    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4042    0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5500   -0.3750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2167    0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0500   -0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6583   -1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8042   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4708   -0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7125    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0250   -1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8417    0.9042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0417    0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8042    1.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1042   -1.8708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8875    0.4542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1250    0.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1250   -0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4667   -1.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6583    1.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9500   -0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9500    0.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4542    1.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2167    1.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3625    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0417    1.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7208   -2.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1875    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4542    2.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5250   -2.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 11  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  4  1  0  0  0  0
 10  5  1  0  0  0  0
 11 13  1  0  0  0  0
 12  3  1  0  0  0  0
 13 14  1  0  0  0  0
 14  1  1  0  0  0  0
 15  6  1  0  0  0  0
 16  4  2  0  0  0  0
 17  5  2  0  0  0  0
 18 10  1  0  0  0  0
 19 10  1  0  0  0  0
 20 12  2  0  0  0  0
 21 13  2  0  0  0  0
 22 15  1  0  0  0  0
 23 15  2  0  0  0  0
 24 12  1  0  0  0  0
 25  8  1  0  0  0  0
 26 23  1  0  0  0  0
 27 22  2  0  0  0  0
 28 18  1  0  0  0  0
 29 19  1  0  0  0  0
 30 26  2  0  0  0  0
 31 29  1  0  0  0  0
 32 24  1  0  0  0  0
 33 30  1  0  0  0  0
 34 31  1  0  0  0  0
 35 32  1  0  0  0  0
  9 10  1  0  0  0  0
 28 31  1  0  0  0  0
  8  6  2  0  0  0  0
 27 30  1  0  0  0  0
M  END
>  <Mol_ID> (3,681)
3681

>  <Formula> (3,681)
C26H31N3O5S

>  <MolWeight> (3,681)
497.60644

>  <COMPOUND_NAME> (3,681)
WAY-616838

>  <BAR_CODE_NO> (3,681)
90450836

$$$$
WAY-332227
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -5.5167   13.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5167   12.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2792   14.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2792   11.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0250   13.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0250   12.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7333    5.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0000    5.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7625   14.5750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0000    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7500    3.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5000    5.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2792   10.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2792   16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7625    1.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7792   11.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7792   14.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5375    0.8625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2500    1.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7333    7.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2375    3.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0083    0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5000    9.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5500   -0.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5000    8.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5250   12.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5250   13.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7 20  1  0  0  0  0
  8  7  1  0  0  0  0
  9  1  2  0  0  0  0
 10  8  1  0  0  0  0
 11 10  1  0  0  0  0
 12  7  2  0  0  0  0
 13  4  1  0  0  0  0
 14  3  1  0  0  0  0
 15 11  2  0  0  0  0
 16  6  2  0  0  0  0
 17  5  2  0  0  0  0
 18 15  1  0  0  0  0
 19 21  1  0  0  0  0
 20 25  1  0  0  0  0
 21 10  2  0  0  0  0
 22 19  2  0  0  0  0
 23 13  1  0  0  0  0
 24 18  1  0  0  0  0
 25 23  1  0  0  0  0
 26 27  2  0  0  0  0
 27 17  1  0  0  0  0
  6  4  1  0  0  0  0
 16 26  1  0  0  0  0
 15 22  1  0  0  0  0
M  END
>  <Mol_ID> (3,682)
3682

>  <Formula> (3,682)
C21H22N2O4

>  <MolWeight> (3,682)
366.41038

>  <COMPOUND_NAME> (3,682)
WAY-332227

>  <BAR_CODE_NO> (3,682)
307228

$$$$
WAY-624626
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
    0.5125    0.9833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083    0.5708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5125    1.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792    1.3958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917    2.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208    0.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083    2.2208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5500   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6333    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208    1.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6333   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3458   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6125   -1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3458   -1.4917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167   -2.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3458    0.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0625    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0625   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0625   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1250   -2.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  2  0  0  0  0
  6  4  2  0  0  0  0
  7  2  2  0  0  0  0
  8  4  1  0  0  0  0
  9  3  1  0  0  0  0
 10  7  1  0  0  0  0
 11  8  1  0  0  0  0
 12 10  2  0  0  0  0
 13  9  2  0  0  0  0
 14  9  1  0  0  0  0
 15 12  1  0  0  0  0
 16 17  1  0  0  0  0
 17 14  2  0  0  0  0
 18 13  1  0  0  0  0
 19 15  1  0  0  0  0
 20 16  1  0  0  0  0
 21 10  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 19  1  0  0  0  0
 25 20  1  0  0  0  0
  6  5  1  0  0  0  0
  7 11  1  0  0  0  0
 16 18  2  0  0  0  0
 23 15  2  0  0  0  0
M  END
>  <Mol_ID> (3,683)
3683

>  <Formula> (3,683)
C18H16N4O2S

>  <MolWeight> (3,683)
352.41024

>  <COMPOUND_NAME> (3,683)
WAY-624626

>  <BAR_CODE_NO> (3,683)
90458802

$$$$
WAY-330548
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -0.5583  -12.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458  -12.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0625  -11.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542  -12.5042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792  -13.0417    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.1875  -12.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5625  -12.5417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708  -13.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042  -12.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292  -15.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2917  -13.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2500  -11.3542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7167  -14.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5750  -15.6292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1375  -14.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292  -13.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1500  -14.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792  -14.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4375  -13.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167  -11.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042  -16.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0875  -13.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667  -11.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4042  -12.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3583  -13.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0542  -12.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333  -15.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  2  1  0  0  0  0
  9  4  1  0  0  0  0
 10 13  1  0  0  0  0
 11  5  1  0  0  0  0
 12  3  2  0  0  0  0
 13 17  1  0  0  0  0
 14 10  2  0  0  0  0
 15 11  2  0  0  0  0
 16 11  1  0  0  0  0
 17 16  2  0  0  0  0
 18 15  1  0  0  0  0
 19  9  2  0  0  0  0
 20  9  1  0  0  0  0
 21 10  1  0  0  0  0
 22 19  1  0  0  0  0
 23 20  2  0  0  0  0
 24 23  1  0  0  0  0
 25  8  1  0  0  0  0
 26 24  1  0  0  0  0
 27 21  1  0  0  0  0
  8  7  2  0  0  0  0
  4  5  1  0  0  0  0
 13 18  2  0  0  0  0
 24 22  2  0  0  0  0
M  END
>  <Mol_ID> (3,684)
3684

>  <Formula> (3,684)
C21H19N3O3

>  <MolWeight> (3,684)
361.39386

>  <COMPOUND_NAME> (3,684)
WAY-330548

>  <BAR_CODE_NO> (3,684)
305549

$$$$
WAY-332345
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
   13.6000   -1.2750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.2000   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6000    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4250    1.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2875    2.2375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.2000    1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3875    2.7375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3500   -6.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9875   -2.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.4000   -0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5625   -0.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6375   -1.8625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1500   -6.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9625   -5.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4000    1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9375   -7.4625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3750   -4.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1625   -5.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7875   -2.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7750   -4.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9875   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1875   -3.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5500   -7.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5500   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1500   -8.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1500   -4.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  3  1  0  0  0  0
  7  6  2  0  0  0  0
  8 15  1  0  0  0  0
  9  1  1  0  0  0  0
 10  2  2  0  0  0  0
 11  1  2  0  0  0  0
 12  1  2  0  0  0  0
 13  8  1  0  0  0  0
 14 10  1  0  0  0  0
 15 18  1  0  0  0  0
 16 14  2  0  0  0  0
 17  8  2  0  0  0  0
 18 22  1  0  0  0  0
 19 21  1  0  0  0  0
 20  9  1  0  0  0  0
 21 23  1  0  0  0  0
 22 23  1  0  0  0  0
 23 20  1  0  0  0  0
 24 13  1  0  0  0  0
 25 13  1  0  0  0  0
 26 24  1  0  0  0  0
 27 25  1  0  0  0  0
  6 16  1  0  0  0  0
  7  5  1  0  0  0  0
 19 15  1  0  0  0  0
M  END
>  <Mol_ID> (3,685)
3685

>  <Formula> (3,685)
C18H26N4O3S2

>  <MolWeight> (3,685)
410.55404

>  <COMPOUND_NAME> (3,685)
WAY-332345

>  <BAR_CODE_NO> (3,685)
307346

$$$$
WAY-624969
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
    0.7417   -0.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4917   -0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6375    0.6333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0500   -0.0792    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -4.8125    0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3333   -0.6167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3333    0.7208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5458   -0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5458    0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292   -0.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6833   -0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8333   -0.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8542    0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4000   -0.7750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167    1.0083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6667   -1.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1125   -0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6458    0.0500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6833    0.4625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8333    0.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1250    0.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4042   -0.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1125    0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8042   -0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9292    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2125   -0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4792    0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2875    0.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  7  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 13  1  0  0  0  0
 10 21  1  0  0  0  0
 11  1  1  0  0  0  0
 12 11  1  0  0  0  0
 13 18  2  0  0  0  0
 14  5  1  0  0  0  0
 15 12  1  0  0  0  0
 16  2  2  0  0  0  0
 17  3  2  0  0  0  0
 18 15  1  0  0  0  0
 19  6  2  0  0  0  0
 20 12  2  0  0  0  0
 21 24  2  0  0  0  0
 22 14  1  0  0  0  0
 23 14  2  0  0  0  0
 24 18  1  0  0  0  0
 25  5  1  0  0  0  0
 26 22  2  0  0  0  0
 27 23  1  0  0  0  0
 28 27  2  0  0  0  0
 29 28  1  0  0  0  0
  4  5  1  0  0  0  0
 26 28  1  0  0  0  0
 10  9  2  0  0  0  0
  6  8  1  0  0  0  0
M  END
>  <Mol_ID> (3,686)
3686

>  <Formula> (3,686)
C20H19N5O4

>  <MolWeight> (3,686)
393.39596

>  <COMPOUND_NAME> (3,686)
WAY-624969

>  <BAR_CODE_NO> (3,686)
90459149

$$$$
WAY-616490
csChFnd80/06171916322D

 30 32  0  0  0  0  0  0  0  0999 V2000
    0.0667   -3.5792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708    3.9250    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.0625    3.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208   -4.2458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8500   -3.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917    2.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8500   -4.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667   -4.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583    2.3542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9542   -0.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1875   -2.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000    2.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4875    4.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1042    1.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1250    4.7042    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.4208    3.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7000   -1.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4042    0.1708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7625   -0.2708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958   -2.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3625   -2.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1083   -1.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2500   -1.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5500    3.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583    0.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2958    4.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3583    3.2375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.5167   -3.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1875   -5.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  6  2  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  9  1  0  0  0  0
  7  5  2  0  0  0  0
  8  4  2  0  0  0  0
  9 14  1  0  0  0  0
 10 17  1  0  0  0  0
 11  1  1  0  0  0  0
 12  6  1  0  0  0  0
 13  3  1  0  0  0  0
 14 26  1  0  0  0  0
 15  2  1  0  0  0  0
 16  2  2  0  0  0  0
 17 23  1  0  0  0  0
 18 10  1  0  0  0  0
 19 10  2  0  0  0  0
 20 14  2  0  0  0  0
 21 11  2  0  0  0  0
 22 11  1  0  0  0  0
 23 22  2  0  0  0  0
 24 21  1  0  0  0  0
 25 12  2  0  0  0  0
 26 18  1  0  0  0  0
 27 25  1  0  0  0  0
 28 25  1  0  0  0  0
 29  5  1  0  0  0  0
 30  8  1  0  0  0  0
  8  7  1  0  0  0  0
 24 17  2  0  0  0  0
 13 27  2  0  0  0  0
M  END
>  <Mol_ID> (3,687)
3687

>  <Formula> (3,687)
C20H17ClN4O5

>  <MolWeight> (3,687)
428.82578

>  <COMPOUND_NAME> (3,687)
WAY-616490

>  <BAR_CODE_NO> (3,687)
90450482

$$$$
WAY-624061
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.1000   -0.8042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542   -1.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333   -2.2625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1583   -0.0250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3917    0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542   -2.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1375   -1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708    1.5458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1417    1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1375   -2.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6833   -1.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792   -0.5542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000   -3.7125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2042    0.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208    2.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208    0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6917    1.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0250    1.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542    1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    1.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2833    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  3  1  0  0  0  0
  7  2  2  0  0  0  0
  8  9  1  0  0  0  0
  9  5  2  0  0  0  0
 10  7  1  0  0  0  0
 11  1  2  0  0  0  0
 12  1  2  0  0  0  0
 13  6  1  0  0  0  0
 14  5  1  0  0  0  0
 15  8  1  0  0  0  0
 16  8  1  0  0  0  0
 17  9  1  0  0  0  0
 18 16  1  0  0  0  0
 19 15  1  0  0  0  0
 20 14  2  0  0  0  0
 21 20  1  0  0  0  0
 22 18  1  0  0  0  0
 10  6  2  0  0  0  0
 21 17  2  0  0  0  0
 22 19  1  0  0  0  0
M  END
>  <Mol_ID> (3,688)
3688

>  <Formula> (3,688)
C15H17ClN2O2S2

>  <MolWeight> (3,688)
356.89068

>  <COMPOUND_NAME> (3,688)
WAY-624061

>  <BAR_CODE_NO> (3,688)
90458235

$$$$
WAY-333784
csChFnd80/06171916322D

 24 27  0  0  0  0  0  0  0  0999 V2000
  -11.8542    6.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8542    7.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5167    5.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3417    5.5667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5167    8.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1667    7.5875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -14.2292    6.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1667    6.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3417    8.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.9042    4.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8042    8.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5167    9.9125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7750    7.5667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4542    7.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.4250    3.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9250    2.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.0667    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.5000    1.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0000    2.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.6667   -0.2000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -5.1250    8.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8083    6.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4667    6.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1583    5.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  8  1  0  0  0  0
  7  4  1  0  0  0  0
  8  3  2  0  0  0  0
  9  2  1  0  0  0  0
 10  4  1  0  0  0  0
 11  6  1  0  0  0  0
 12  5  2  0  0  0  0
 13 21  2  0  0  0  0
 14 11  1  0  0  0  0
 15 10  1  0  0  0  0
 16 10  2  0  0  0  0
 17 18  2  0  0  0  0
 18 16  1  0  0  0  0
 19 15  2  0  0  0  0
 20 17  1  0  0  0  0
 21 14  1  0  0  0  0
 22 24  2  0  0  0  0
 23 14  2  0  0  0  0
 24 23  1  0  0  0  0
  7  9  2  0  0  0  0
  5  6  1  0  0  0  0
 17 19  1  0  0  0  0
 13 22  1  0  0  0  0
M  END
>  <Mol_ID> (3,689)
3689

>  <Formula> (3,689)
C17H12ClN5O

>  <MolWeight> (3,689)
337.76308

>  <COMPOUND_NAME> (3,689)
WAY-333784

>  <BAR_CODE_NO> (3,689)
308785

$$$$
WAY-329960
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
   10.8000   -4.4625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.1375   -5.8125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4500   -4.0875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8500   -5.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1375   -4.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7500   -3.3375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8500   -4.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7625   -6.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6875   -5.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5000   -4.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1750   -5.1125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4250   -3.8125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1000   -4.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4500   -3.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5000   -5.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4000   -2.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1000   -2.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7500   -4.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1375   -5.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1375   -4.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7000   -2.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3500   -1.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1375   -7.1125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3500   -1.0875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4000   -2.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0500   -3.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7000   -2.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0500   -1.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0125   -6.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -2.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  1  0  0  0  0
  4 15  1  0  0  0  0
  5  1  1  0  0  0  0
  6 17  1  0  0  0  0
  7 10  1  0  0  0  0
  8  2  1  0  0  0  0
  9 20  1  0  0  0  0
 10  5  2  0  0  0  0
 11  1  2  0  0  0  0
 12  1  2  0  0  0  0
 13  3  1  0  0  0  0
 14  3  1  0  0  0  0
 15 19  2  0  0  0  0
 16  6  1  0  0  0  0
 17 14  1  0  0  0  0
 18 13  1  0  0  0  0
 19  5  1  0  0  0  0
 20  7  1  0  0  0  0
 21 27  1  0  0  0  0
 22 21  1  0  0  0  0
 23  8  2  0  0  0  0
 24 22  2  0  0  0  0
 25 16  2  0  0  0  0
 26 16  1  0  0  0  0
 27 26  2  0  0  0  0
 28 25  1  0  0  0  0
 29  8  1  0  0  0  0
 30 22  1  0  0  0  0
  4  7  2  0  0  0  0
 18  6  1  0  0  0  0
  2  9  1  0  0  0  0
 28 21  2  0  0  0  0
M  END
>  <Mol_ID> (3,690)
3690

>  <Formula> (3,690)
C22H25N3O4S

>  <MolWeight> (3,690)
427.5166

>  <COMPOUND_NAME> (3,690)
WAY-329960

>  <BAR_CODE_NO> (3,690)
304961

$$$$
WAY-332442
csChFnd80/06171916322D

 32 35  0  0  0  0  0  0  0  0999 V2000
    7.4375   -5.1125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.6375   -4.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3875   -5.1125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6125   -5.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5000   -5.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4250   -5.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3000   -5.1125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0750   -4.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7500   -3.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0250   -4.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6625   -3.9750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2875   -6.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8500   -4.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8500   -6.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0750   -6.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2625   -5.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2125   -5.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8125   -4.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8125   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0250   -6.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7667   -3.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2000   -6.6125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4250   -5.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4250   -4.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7500   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7500   -4.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2125   -5.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1875   -5.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7000   -4.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7250   -6.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1500   -5.1000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  1  0  0  0  0
  4 15  2  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7 19  1  0  0  0  0
  8 10  2  0  0  0  0
  9 21  1  0  0  0  0
 10  5  1  0  0  0  0
 11  1  2  0  0  0  0
 12  1  2  0  0  0  0
 13  3  1  0  0  0  0
 14  3  1  0  0  0  0
 15 20  1  0  0  0  0
 16  7  1  0  0  0  0
 17 27  1  0  0  0  0
 18 13  1  0  0  0  0
 19 14  1  0  0  0  0
 20  5  2  0  0  0  0
 21  8  1  0  0  0  0
 22  6  2  0  0  0  0
 23  6  1  0  0  0  0
 24 17  2  0  0  0  0
 25 16  2  0  0  0  0
 26 16  1  0  0  0  0
 27 23  1  0  0  0  0
 28 30  1  0  0  0  0
 29 17  1  0  0  0  0
 30 26  2  0  0  0  0
 31 25  1  0  0  0  0
 32 28  1  0  0  0  0
  8  4  1  0  0  0  0
 18  7  1  0  0  0  0
  2  9  1  0  0  0  0
 28 31  2  0  0  0  0
M  END
>  <Mol_ID> (3,691)
3691

>  <Formula> (3,691)
C22H24FN3O5S

>  <MolWeight> (3,691)
461.5064632

>  <COMPOUND_NAME> (3,691)
WAY-332442

>  <BAR_CODE_NO> (3,691)
307443

$$$$
WAY-330206
csChFnd80/06171916322D

 34 38  0  0  0  0  0  0  0  0999 V2000
    8.1625   -3.7625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.1625   -5.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4625   -6.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1625   -2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8958   -5.5625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4625   -7.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7875   -6.7750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.1625    2.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4625    3.0250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8958   -8.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0750    4.5125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3875    5.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8500   -6.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6750   -3.7625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6500   -3.7625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1625    0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8500   -7.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1625   -8.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4625   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8500   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6875    4.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7625    2.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4625    4.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0750    3.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7625    5.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3875    6.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8500    3.0250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4625    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9875    5.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6875    7.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000    6.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6875    3.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6875    9.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  2  0  0  0  0
  6  3  1  0  0  0  0
  7  5  1  0  0  0  0
  8 16  1  0  0  0  0
  9  8  1  0  0  0  0
 10  6  2  0  0  0  0
 11 25  1  0  0  0  0
 12 11  1  0  0  0  0
 13  2  2  0  0  0  0
 14  1  2  0  0  0  0
 15  1  2  0  0  0  0
 16 28  1  0  0  0  0
 17 13  1  0  0  0  0
 18 17  2  0  0  0  0
 19  4  1  0  0  0  0
 20  4  1  0  0  0  0
 21 12  2  0  0  0  0
 22  9  1  0  0  0  0
 23  9  1  0  0  0  0
 24 22  1  0  0  0  0
 25 23  1  0  0  0  0
 26 12  1  0  0  0  0
 27  8  2  0  0  0  0
 28 20  1  0  0  0  0
 29 19  1  0  0  0  0
 30 21  1  0  0  0  0
 31 26  2  0  0  0  0
 32 31  1  0  0  0  0
 33 21  1  0  0  0  0
 34 31  1  0  0  0  0
 29 16  1  0  0  0  0
 18  6  1  0  0  0  0
  7 10  1  0  0  0  0
 24 11  1  0  0  0  0
 32 30  2  0  0  0  0
M  END
>  <Mol_ID> (3,692)
3692

>  <Formula> (3,692)
C24H29N5O3S2

>  <MolWeight> (3,692)
499.64876

>  <COMPOUND_NAME> (3,692)
WAY-330206

>  <BAR_CODE_NO> (3,692)
305207

$$$$
WAY-333883
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
  -12.3542    6.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3542    7.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.9125    5.8042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9667    5.4792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5542    7.9042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9667    8.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.8292    7.1167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5542    6.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.9125    8.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1292    8.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7292    7.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.4417    4.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7417    6.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3750    5.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9667   10.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3458    8.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9708    6.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1500    5.4667    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.9333    7.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5583    5.4667    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  -14.9792    2.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8917    3.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0000    4.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  8  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  2  0  0  0  0
  9  2  1  0  0  0  0
 10  5  1  0  0  0  0
 11 10  1  0  0  0  0
 12  3  1  0  0  0  0
 13 11  1  0  0  0  0
 14 13  2  0  0  0  0
 15  6  2  0  0  0  0
 16 11  2  0  0  0  0
 17 19  2  0  0  0  0
 18 13  1  0  0  0  0
 19 16  1  0  0  0  0
 20 17  1  0  0  0  0
 21 12  1  0  0  0  0
 22 12  1  0  0  0  0
 23 12  1  0  0  0  0
  7  9  2  0  0  0  0
  6  5  1  0  0  0  0
 14 17  1  0  0  0  0
M  END
>  <Mol_ID> (3,693)
3693

>  <Formula> (3,693)
C16H16Cl2N4O

>  <MolWeight> (3,693)
351.23044

>  <COMPOUND_NAME> (3,693)
WAY-333883

>  <BAR_CODE_NO> (3,693)
308884

$$$$
WAY-333875
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
  -12.3542    6.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3542    7.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.9125    5.8042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9667    5.4792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5542    7.9042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9667    8.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.8292    7.1167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7292    7.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5542    6.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.9125    8.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1292    8.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.4417    4.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7417    6.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3458    8.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9667   10.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3458   10.3167    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1500    5.4667    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.9708    6.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8917    3.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0000    4.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.9792    2.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9333    7.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3458    5.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  9  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8 11  1  0  0  0  0
  9  4  2  0  0  0  0
 10  2  1  0  0  0  0
 11  5  1  0  0  0  0
 12  3  1  0  0  0  0
 13  8  2  0  0  0  0
 14  8  1  0  0  0  0
 15  6  2  0  0  0  0
 16 14  1  0  0  0  0
 17 13  1  0  0  0  0
 18 22  1  0  0  0  0
 19 12  1  0  0  0  0
 20 12  1  0  0  0  0
 21 12  1  0  0  0  0
 22 14  2  0  0  0  0
 23 13  1  0  0  0  0
  7 10  2  0  0  0  0
  6  5  1  0  0  0  0
 18 23  2  0  0  0  0
M  END
>  <Mol_ID> (3,694)
3694

>  <Formula> (3,694)
C16H16ClFN4O

>  <MolWeight> (3,694)
334.7758432

>  <COMPOUND_NAME> (3,694)
WAY-333875

>  <BAR_CODE_NO> (3,694)
308876

$$$$
WAY-333878
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
  -12.3542    6.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3542    7.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.9125    5.8042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9667    5.4792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5542    7.9042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9667    8.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.8292    7.1167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5542    6.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.9125    8.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1292    8.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7292    7.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.4417    4.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9667   10.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7417    6.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3458    8.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3750    5.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9333    7.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9708    6.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8917    3.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0000    4.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.9792    2.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1500    5.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5083    8.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  8  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  2  0  0  0  0
  9  2  1  0  0  0  0
 10  5  1  0  0  0  0
 11 10  1  0  0  0  0
 12  3  1  0  0  0  0
 13  6  2  0  0  0  0
 14 11  2  0  0  0  0
 15 11  1  0  0  0  0
 16 14  1  0  0  0  0
 17 15  2  0  0  0  0
 18 17  1  0  0  0  0
 19 12  1  0  0  0  0
 20 12  1  0  0  0  0
 21 12  1  0  0  0  0
 22 14  1  0  0  0  0
 23 17  1  0  0  0  0
  7  9  2  0  0  0  0
  6  5  1  0  0  0  0
 18 16  2  0  0  0  0
M  END
>  <Mol_ID> (3,695)
3695

>  <Formula> (3,695)
C18H22N4O

>  <MolWeight> (3,695)
310.39348

>  <COMPOUND_NAME> (3,695)
WAY-333878

>  <BAR_CODE_NO> (3,695)
308879

$$$$
WAY-616942
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -1.3792    0.3708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    0.9833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0042    0.9000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4708   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7375   -0.9417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7375   -0.1167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4083    0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9542    0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9542   -1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958    1.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9292   -0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6458   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292    1.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9917    0.9250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7667   -0.1792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2333    0.1833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833    2.2042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.0042   -0.5292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7375   -0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6750   -1.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0333   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2250   -1.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2875   -0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5875   -2.0792    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958    3.0250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7000    0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7000   -1.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4 12  1  0  0  0  0
  5  9  2  0  0  0  0
  6  8  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  2  0  0  0  0
  9  4  1  0  0  0  0
 10  2  1  0  0  0  0
 11  1  1  0  0  0  0
 12 16  1  0  0  0  0
 13  3  1  0  0  0  0
 14  1  2  0  0  0  0
 15  1  2  0  0  0  0
 16  7  1  0  0  0  0
 17 10  1  0  0  0  0
 18  7  2  0  0  0  0
 19 11  1  0  0  0  0
 20 11  2  0  0  0  0
 21 22  2  0  0  0  0
 22 20  1  0  0  0  0
 23 19  2  0  0  0  0
 24 21  1  0  0  0  0
 25 17  1  0  0  0  0
 26  8  1  0  0  0  0
 27  9  1  0  0  0  0
 23 21  1  0  0  0  0
 13 17  1  0  0  0  0
  5  6  1  0  0  0  0
M  END
>  <Mol_ID> (3,696)
3696

>  <Formula> (3,696)
C17H19ClN2O6S

>  <MolWeight> (3,696)
414.86056

>  <COMPOUND_NAME> (3,696)
WAY-616942

>  <BAR_CODE_NO> (3,696)
90450942

$$$$
WAY-642954
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
    1.8625    0.4583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2500    0.1208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -0.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5583   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042   -0.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8125   -0.8417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083    0.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208    0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6500    0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3792    1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417   -1.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1625   -0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4708    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708   -0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8625    1.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6500    1.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1000   -1.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9042   -1.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9833   -0.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2750    0.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5333    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  5  2  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  2  0  0  0  0
  7  4  1  0  0  0  0
  8  7  1  0  0  0  0
  9  1  1  0  0  0  0
 10  1  1  0  0  0  0
 11  3  1  0  0  0  0
 12  5  1  0  0  0  0
 13  8  1  0  0  0  0
 14  8  2  0  0  0  0
 15 10  1  0  0  0  0
 16  9  1  0  0  0  0
 17 18  1  0  0  0  0
 18 12  2  0  0  0  0
 19 14  1  0  0  0  0
 20 13  2  0  0  0  0
 21 19  2  0  0  0  0
 15 16  1  0  0  0  0
 17 11  2  0  0  0  0
 21 20  1  0  0  0  0
M  END
>  <Mol_ID> (3,697)
3697

>  <Formula> (3,697)
C18H20N2O

>  <MolWeight> (3,697)
280.3642

>  <COMPOUND_NAME> (3,697)
WAY-642954

>  <BAR_CODE_NO> (3,697)
90477521

$$$$
WAY-616451
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
    2.6167   -1.4792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4750   -1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2417   -1.4792    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.9042   -1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1875   -1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6708    0.9958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3333   -1.8917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6708    2.6458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4750   -0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3833    1.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0292   -0.7667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042   -2.1958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9542   -1.0667    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.2417    0.1708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2417   -2.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3833    2.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9542    1.4083    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.9042   -0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1875    0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9542    2.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2417    0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1000    0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3333   -2.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0458   -1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1000    2.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8125    1.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8125    2.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6 17  1  0  0  0  0
  7  1  1  0  0  0  0
  8 20  1  0  0  0  0
  9 19  1  0  0  0  0
 10  6  1  0  0  0  0
 11  1  2  0  0  0  0
 12  1  2  0  0  0  0
 13  3  1  0  0  0  0
 14  9  1  0  0  0  0
 15  3  2  0  0  0  0
 16  8  1  0  0  0  0
 17 21  1  0  0  0  0
 18  4  1  0  0  0  0
 19 18  2  0  0  0  0
 20 17  1  0  0  0  0
 21 14  1  0  0  0  0
 22 10  1  0  0  0  0
 23  7  1  0  0  0  0
 24  7  1  0  0  0  0
 25 16  1  0  0  0  0
 26 22  2  0  0  0  0
 27 25  2  0  0  0  0
  2  9  2  0  0  0  0
 10 16  2  0  0  0  0
 27 26  1  0  0  0  0
M  END
>  <Mol_ID> (3,698)
3698

>  <Formula> (3,698)
C17H19N3O6S

>  <MolWeight> (3,698)
393.41426

>  <COMPOUND_NAME> (3,698)
WAY-616451

>  <BAR_CODE_NO> (3,698)
90450438

$$$$
WAY-615873
csChFnd80/06171916322D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -1.5250    1.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1250    0.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1125    0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2875   -0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2875    0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1250   -1.3875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2875   -2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1875    0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9000    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9000    0.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9500    0.0417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3500    1.4708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5250    0.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1125   -0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3625    0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1250   -2.8167    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1125   -2.1000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1125    2.1833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  1  1  0  0  0  0
  4 14  1  0  0  0  0
  5  3  2  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8 15  1  0  0  0  0
  9  8  1  0  0  0  0
 10  8  1  0  0  0  0
 11  2  1  0  0  0  0
 12  1  2  0  0  0  0
 13  3  1  0  0  0  0
 14 13  2  0  0  0  0
 15 11  1  0  0  0  0
 16  7  1  0  0  0  0
 17  7  1  0  0  0  0
 18  1  1  0  0  0  0
  2  4  2  0  0  0  0
 10  9  1  0  0  0  0
M  END
>  <Mol_ID> (3,699)
3699

>  <Formula> (3,699)
C12H12F2O4

>  <MolWeight> (3,699)
258.2180864

>  <COMPOUND_NAME> (3,699)
WAY-615873

>  <BAR_CODE_NO> (3,699)
90449844

$$$$
WAY-616404
csChFnd80/06171916322D

 33 37  0  0  0  0  0  0  0  0999 V2000
    2.4500   -1.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9375   -0.7417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9375   -2.0750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7375    2.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3250    1.4500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7208   -1.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7208   -0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3250    2.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2625   -0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5000    0.0208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6250   -1.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6583    3.6333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8500   -1.4083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5625    2.1667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4333   -2.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5042    2.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7375    0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5000    1.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0875   -0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0458    4.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8500    0.0208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3333    3.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4333   -0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   -0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   -2.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0875    0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3250    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0250   -1.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1500   -1.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3875   -2.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3875   -0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1500   -0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8625   -2.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5 17  1  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8  4  1  0  0  0  0
  9 13  1  0  0  0  0
 10 19  1  0  0  0  0
 11  1  1  0  0  0  0
 12  8  1  0  0  0  0
 13 28  1  0  0  0  0
 14  4  2  0  0  0  0
 15  6  1  0  0  0  0
 16  8  2  0  0  0  0
 17 27  1  0  0  0  0
 18 26  1  0  0  0  0
 19  9  1  0  0  0  0
 20 12  1  0  0  0  0
 21  9  2  0  0  0  0
 22 16  1  0  0  0  0
 23  7  1  0  0  0  0
 24 11  1  0  0  0  0
 25 11  2  0  0  0  0
 26 10  1  0  0  0  0
 27 10  1  0  0  0  0
 28 30  2  0  0  0  0
 29 15  2  0  0  0  0
 30 25  1  0  0  0  0
 31 24  2  0  0  0  0
 32 23  2  0  0  0  0
 33 29  1  0  0  0  0
  7  6  2  0  0  0  0
 31 28  1  0  0  0  0
 29 32  1  0  0  0  0
 18  5  1  0  0  0  0
 22 20  2  0  0  0  0
M  END
>  <Mol_ID> (3,700)
3700

>  <Formula> (3,700)
C25H24N4O3S

>  <MolWeight> (3,700)
460.54806

>  <COMPOUND_NAME> (3,700)
WAY-616404

>  <BAR_CODE_NO> (3,700)
90450391

$$$$
CL-97735
csChFnd80/06171916322D

 14 16  0  0  0  0  0  0  0  0999 V2000
   -0.7288    0.5036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6574    0.8485    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1219   -0.8722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7253    1.5347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6540   -0.1826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3298    2.1174    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1288   -1.9032    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5115   -1.2170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1150    1.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2609   -1.5515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9436    0.4485    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7402    1.8692    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5115   -0.1964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2574   -2.5826    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
  8 13  2  0  0  0  0
 10 14  1  0  0  0  0
  7 10  2  0  0  0  0
  9 13  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (3,701)
3701

>  <Formula> (3,701)
C8H4ClN5

>  <MolWeight> (3,701)
205.60386

>  <COMPOUND_NAME> (3,701)
CL-97735

>  <BAR_CODE_NO> (3,701)
304742

$$$$
WAY-663378
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.3917    2.9083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0875    3.5833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3917    4.2292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1792    3.9875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1792    3.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333   -3.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2250   -2.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6250   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542   -3.6917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1417    2.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708   -0.8417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708    0.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3250   -1.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8125   -3.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333   -4.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333   -0.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292   -2.0667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8125   -4.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6917    1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4375    0.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7 13  1  0  0  0  0
  8 12  1  0  0  0  0
  9  6  1  0  0  0  0
 10  1  1  0  0  0  0
 11  8  1  0  0  0  0
 12 22  2  0  0  0  0
 13 11  1  0  0  0  0
 14  6  2  0  0  0  0
 15  9  1  0  0  0  0
 16  8  2  0  0  0  0
 17  7  2  0  0  0  0
 18 14  1  0  0  0  0
 19 10  1  0  0  0  0
 20 10  2  0  0  0  0
 21 19  2  0  0  0  0
 22 20  1  0  0  0  0
  3  4  1  0  0  0  0
 21 12  1  0  0  0  0
 15 18  2  0  0  0  0
M  END
>  <Mol_ID> (3,702)
3702

>  <Formula> (3,702)
C14H11N5O3

>  <MolWeight> (3,702)
297.26884

>  <COMPOUND_NAME> (3,702)
WAY-663378

>  <BAR_CODE_NO> (3,702)
90498125

$$$$
WAY-331444
csChFnd80/06171916322D

 23 26  0  0  0  0  0  0  0  0999 V2000
   -7.4042   10.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1542    7.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5000    5.8542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1917   12.0667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0917    3.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1167    3.8958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2083   12.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7667    5.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1542    9.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5583    9.2792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1958   10.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8917    2.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1958   14.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8750    2.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7000    0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4875   -0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2167   16.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4833   -1.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6625    0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2708   -2.6000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708   10.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1625   12.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1750   14.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  9  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  2  0  0  0  0
  5  3  1  0  0  0  0
  6  8  1  0  0  0  0
  7  4  1  0  0  0  0
  8  2  2  0  0  0  0
  9  1  1  0  0  0  0
 10  1  1  0  0  0  0
 11 10  1  0  0  0  0
 12  5  1  0  0  0  0
 13  7  1  0  0  0  0
 14 12  1  0  0  0  0
 15 12  2  0  0  0  0
 16 18  2  0  0  0  0
 17 13  1  0  0  0  0
 18 15  1  0  0  0  0
 19 14  2  0  0  0  0
 20 16  1  0  0  0  0
 21 11  1  0  0  0  0
 22 21  2  0  0  0  0
 23 13  2  0  0  0  0
  7 11  2  0  0  0  0
  5  6  2  0  0  0  0
 22 23  1  0  0  0  0
 16 19  1  0  0  0  0
M  END
>  <Mol_ID> (3,703)
3703

>  <Formula> (3,703)
C15H8F2N4OS

>  <MolWeight> (3,703)
330.3120264

>  <COMPOUND_NAME> (3,703)
WAY-331444

>  <BAR_CODE_NO> (3,703)
306445

$$$$
WAY-331447
csChFnd80/06171916322D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -7.4042   10.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1542    7.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5167    5.8542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1917   12.0667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1167    3.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1667    3.8958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2083   12.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7917    5.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1542    9.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5583    9.2792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1958   10.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9208    2.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1958   14.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9083    2.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7292    0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2167   16.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5500   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5333   -1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6958    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708   10.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3250   -2.6292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1625   12.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1750   14.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000   -2.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  9  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  2  0  0  0  0
  5  3  1  0  0  0  0
  6  8  1  0  0  0  0
  7  4  1  0  0  0  0
  8  2  2  0  0  0  0
  9  1  1  0  0  0  0
 10  1  1  0  0  0  0
 11 10  1  0  0  0  0
 12  5  1  0  0  0  0
 13  7  1  0  0  0  0
 14 12  1  0  0  0  0
 15 12  2  0  0  0  0
 16 13  1  0  0  0  0
 17 18  2  0  0  0  0
 18 15  1  0  0  0  0
 19 14  2  0  0  0  0
 20 11  1  0  0  0  0
 21 17  1  0  0  0  0
 22 20  2  0  0  0  0
 23 13  2  0  0  0  0
 24 21  1  0  0  0  0
  7 11  2  0  0  0  0
  5  6  2  0  0  0  0
 22 23  1  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (3,704)
3704

>  <Formula> (3,704)
C16H11FN4O2S

>  <MolWeight> (3,704)
342.3475432

>  <COMPOUND_NAME> (3,704)
WAY-331447

>  <BAR_CODE_NO> (3,704)
306448

$$$$
WAY-331448
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -7.4042   10.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1542    7.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5167    5.8542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1917   12.0667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1167    3.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1667    3.9208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2083   12.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7917    5.8542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1542    9.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5583    9.2792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1958   10.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9208    2.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1958   14.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9083    2.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7292    0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5208   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6833    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5333   -1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2167   16.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3542   -3.0667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6875    1.0958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708   10.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1625   12.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1750   14.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1583   -4.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708    2.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  9  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  2  0  0  0  0
  5  3  1  0  0  0  0
  6  8  1  0  0  0  0
  7  4  1  0  0  0  0
  8  2  2  0  0  0  0
  9  1  1  0  0  0  0
 10  1  1  0  0  0  0
 11 10  1  0  0  0  0
 12  5  1  0  0  0  0
 13  7  1  0  0  0  0
 14 12  1  0  0  0  0
 15 12  2  0  0  0  0
 16 18  2  0  0  0  0
 17 14  2  0  0  0  0
 18 15  1  0  0  0  0
 19 13  1  0  0  0  0
 20 18  1  0  0  0  0
 21 17  1  0  0  0  0
 22 11  1  0  0  0  0
 23 22  2  0  0  0  0
 24 13  2  0  0  0  0
 25 20  1  0  0  0  0
 26 21  1  0  0  0  0
  7 11  2  0  0  0  0
  5  6  2  0  0  0  0
 23 24  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (3,705)
3705

>  <Formula> (3,705)
C17H13FN4O3S

>  <MolWeight> (3,705)
372.3735232

>  <COMPOUND_NAME> (3,705)
WAY-331448

>  <BAR_CODE_NO> (3,705)
306449

$$$$
WAY-329688
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -8.2042   10.9542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -5.5083   10.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8292   13.4500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8292   11.7542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -8.2833   14.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2042    7.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7500   11.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7500   13.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6708    9.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8750   11.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1083    8.4167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7167    6.3250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0208    9.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2667   16.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7500    6.3542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3500   14.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2042   10.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2042   14.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7167    4.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0458   12.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4333   14.3292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458    9.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8750   13.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3833   15.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1792    3.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2292    3.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6667   11.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6667   13.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458   12.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958   11.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5  8  1  0  0  0  0
  6  1  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9  2  2  0  0  0  0
 10  2  1  0  0  0  0
 11  9  1  0  0  0  0
 12  6  1  0  0  0  0
 13 10  2  0  0  0  0
 14  5  2  0  0  0  0
 15  6  2  0  0  0  0
 16  3  1  0  0  0  0
 17  7  2  0  0  0  0
 18  8  2  0  0  0  0
 19 12  1  0  0  0  0
 20 10  1  0  0  0  0
 21 23  1  0  0  0  0
 22 13  1  0  0  0  0
 23 16  1  0  0  0  0
 24 21  1  0  0  0  0
 25 19  1  0  0  0  0
 26 19  1  0  0  0  0
 27 17  1  0  0  0  0
 28 27  2  0  0  0  0
 29 20  2  0  0  0  0
 30 29  1  0  0  0  0
  5  3  1  0  0  0  0
 18 28  1  0  0  0  0
 11 13  1  0  0  0  0
 22 30  2  0  0  0  0
M  END
>  <Mol_ID> (3,706)
3706

>  <Formula> (3,706)
C24H27N3O3

>  <MolWeight> (3,706)
405.48948

>  <COMPOUND_NAME> (3,706)
WAY-329688

>  <BAR_CODE_NO> (3,706)
304689

$$$$
WAY-329425
csChFnd80/06171916322D

 33 37  0  0  0  0  0  0  0  0999 V2000
   10.2083   -6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3000   -7.3750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4375   -7.6125    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.8000   -8.7125    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.5250   -8.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0250   -9.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8875   -9.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9750   -5.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9250   -8.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3625   -6.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9750   -5.0375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8375   -5.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5125   -9.9625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3875   -8.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7125   -8.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9375   -6.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9250  -10.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5125  -11.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3750  -10.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6750  -13.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1125  -10.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9250  -12.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6750  -11.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2500  -12.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5125  -13.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0500   -7.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2500  -14.9875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9875   -5.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6750  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6000  -11.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4625  -11.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2000   -7.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6750   -6.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  1  2  0  0  0  0
  9  4  1  0  0  0  0
 10  1  1  0  0  0  0
 11  8  1  0  0  0  0
 12 10  2  0  0  0  0
 13  9  1  0  0  0  0
 14  5  2  0  0  0  0
 15  9  2  0  0  0  0
 16  2  1  0  0  0  0
 17 13  1  0  0  0  0
 18 17  1  0  0  0  0
 19  6  2  0  0  0  0
 20 24  1  0  0  0  0
 21  7  2  0  0  0  0
 22 18  2  0  0  0  0
 23 18  1  0  0  0  0
 24 23  2  0  0  0  0
 25 22  1  0  0  0  0
 26 10  1  0  0  0  0
 27 20  1  0  0  0  0
 28 12  1  0  0  0  0
 29 27  1  0  0  0  0
 30 19  1  0  0  0  0
 31 30  2  0  0  0  0
 32 26  2  0  0  0  0
 33 32  1  0  0  0  0
 11 12  1  0  0  0  0
 28 33  2  0  0  0  0
  5  7  1  0  0  0  0
 31 21  1  0  0  0  0
 25 20  2  0  0  0  0
M  END
>  <Mol_ID> (3,707)
3707

>  <Formula> (3,707)
C27H25N3O3

>  <MolWeight> (3,707)
439.5057

>  <COMPOUND_NAME> (3,707)
WAY-329425

>  <BAR_CODE_NO> (3,707)
304426

$$$$
WAY-329427
csChFnd80/06171916322D

 34 38  0  0  0  0  0  0  0  0999 V2000
    9.6125   -6.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8125   -6.9375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8750   -7.1625    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.2125   -8.2000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.0750   -7.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4875   -9.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4125   -8.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3875   -5.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2875   -8.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7000   -6.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3250   -4.7375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1375   -5.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8250   -9.3750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0125   -7.5250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0125   -7.6125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4750   -5.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2875  -10.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8250  -11.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8250  -10.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9250  -13.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6875   -9.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2875  -12.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9250  -11.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4625  -12.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8250  -13.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3375   -7.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4625  -14.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2250   -5.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9250  -15.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0875  -10.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0250  -10.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4250   -7.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4625  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8625   -6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  1  2  0  0  0  0
  9  4  1  0  0  0  0
 10  1  1  0  0  0  0
 11  8  1  0  0  0  0
 12 10  2  0  0  0  0
 13  9  1  0  0  0  0
 14  5  2  0  0  0  0
 15  9  2  0  0  0  0
 16  2  1  0  0  0  0
 17 13  1  0  0  0  0
 18 17  1  0  0  0  0
 19  6  2  0  0  0  0
 20 24  1  0  0  0  0
 21  7  2  0  0  0  0
 22 18  2  0  0  0  0
 23 18  1  0  0  0  0
 24 23  2  0  0  0  0
 25 22  1  0  0  0  0
 26 10  1  0  0  0  0
 27 20  1  0  0  0  0
 28 12  1  0  0  0  0
 29 27  1  0  0  0  0
 30 19  1  0  0  0  0
 31 30  2  0  0  0  0
 32 26  2  0  0  0  0
 33 29  1  0  0  0  0
 34 32  1  0  0  0  0
 11 12  1  0  0  0  0
 28 34  2  0  0  0  0
  5  7  1  0  0  0  0
 31 21  1  0  0  0  0
 25 20  2  0  0  0  0
M  END
>  <Mol_ID> (3,708)
3708

>  <Formula> (3,708)
C28H27N3O3

>  <MolWeight> (3,708)
453.53228

>  <COMPOUND_NAME> (3,708)
WAY-329427

>  <BAR_CODE_NO> (3,708)
304428

$$$$
WAY-329412
csChFnd80/06171916322D

 33 37  0  0  0  0  0  0  0  0999 V2000
   14.2375  -10.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7875  -12.3125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4000  -11.1125    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.1750  -10.8500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.9500  -13.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3375  -11.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7250  -12.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4875  -10.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7875   -9.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9750   -8.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -9.1750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6375   -9.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.0625   -8.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3375  -14.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3750   -7.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5125   -7.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6250   -8.7375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2375   -6.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0125  -12.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1125  -11.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8875  -13.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2500   -5.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9000   -8.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3625   -8.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0625   -7.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1000   -5.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4000   -5.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2750  -12.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6625  -13.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9000   -7.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2125   -7.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9750   -6.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0875   -6.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  1  2  0  0  0  0
  9  4  1  0  0  0  0
 10  1  1  0  0  0  0
 11  8  1  0  0  0  0
 12  9  1  0  0  0  0
 13 10  2  0  0  0  0
 14  5  2  0  0  0  0
 15 16  1  0  0  0  0
 16 12  1  0  0  0  0
 17  9  2  0  0  0  0
 18 15  2  0  0  0  0
 19  2  1  0  0  0  0
 20  6  2  0  0  0  0
 21  7  2  0  0  0  0
 22 18  1  0  0  0  0
 23 10  1  0  0  0  0
 24 15  1  0  0  0  0
 25 13  1  0  0  0  0
 26 18  1  0  0  0  0
 27 22  1  0  0  0  0
 28 20  1  0  0  0  0
 29 28  2  0  0  0  0
 30 23  2  0  0  0  0
 31 24  2  0  0  0  0
 32 30  1  0  0  0  0
 33 31  1  0  0  0  0
 11 13  1  0  0  0  0
 25 32  2  0  0  0  0
  5  7  1  0  0  0  0
 29 21  1  0  0  0  0
 33 26  2  0  0  0  0
M  END
>  <Mol_ID> (3,709)
3709

>  <Formula> (3,709)
C27H25N3O3

>  <MolWeight> (3,709)
439.5057

>  <COMPOUND_NAME> (3,709)
WAY-329412

>  <BAR_CODE_NO> (3,709)
304413

$$$$
WAY-329426
csChFnd80/06171916322D

 35 39  0  0  0  0  0  0  0  0999 V2000
   14.2375  -10.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7875  -12.3125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4000  -11.1125    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.1750  -10.8500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.9500  -13.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3375  -11.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7250  -12.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4875  -10.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7875   -9.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9750   -8.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -9.1750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6375   -9.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4875   -9.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3625   -8.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0625   -8.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2125   -7.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3375  -14.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6375   -9.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6250   -8.7375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4750  -10.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0125  -12.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2000   -8.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1125  -11.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3375   -9.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3750   -7.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8875  -13.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9000   -8.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0625   -7.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0625   -7.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2375   -6.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9250   -6.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2750  -12.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6625  -13.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9000   -7.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9750   -6.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  1  2  0  0  0  0
  9  4  1  0  0  0  0
 10  1  1  0  0  0  0
 11  8  1  0  0  0  0
 12  9  1  0  0  0  0
 13 18  1  0  0  0  0
 14 13  2  0  0  0  0
 15 10  2  0  0  0  0
 16 14  1  0  0  0  0
 17  5  2  0  0  0  0
 18 12  1  0  0  0  0
 19  9  2  0  0  0  0
 20 13  1  0  0  0  0
 21  2  1  0  0  0  0
 22 24  1  0  0  0  0
 23  6  2  0  0  0  0
 24 20  2  0  0  0  0
 25 14  1  0  0  0  0
 26  7  2  0  0  0  0
 27 10  1  0  0  0  0
 28 22  1  0  0  0  0
 29 15  1  0  0  0  0
 30 25  1  0  0  0  0
 31 28  1  0  0  0  0
 32 23  1  0  0  0  0
 33 32  2  0  0  0  0
 34 27  2  0  0  0  0
 35 34  1  0  0  0  0
 11 15  1  0  0  0  0
 29 35  2  0  0  0  0
  5  7  1  0  0  0  0
 33 26  1  0  0  0  0
 16 22  2  0  0  0  0
M  END
>  <Mol_ID> (3,710)
3710

>  <Formula> (3,710)
C28H27N3O4

>  <MolWeight> (3,710)
469.53168

>  <COMPOUND_NAME> (3,710)
WAY-329426

>  <BAR_CODE_NO> (3,710)
304427

$$$$
WAY-278421
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -0.4898   -0.2853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6758    0.3147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1073   -0.2853    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2077    0.6387    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2903    0.3147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8318   -0.7743    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2428    0.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8098    0.6897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8573    0.5397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3373    0.1647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9533    1.1307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9733    0.9627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5142    1.3527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9043    0.3867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5343    1.1697    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.4168   -0.7263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5798   -1.3203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9248   -1.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7648   -1.2153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5278   -1.7613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  7  3  0  0  0  0
  9  5  1  0  0  0  0
  9 10  2  0  0  0  0
 11  9  1  0  0  0  0
 12 13  1  0  0  0  0
 13 11  2  0  0  0  0
 14 10  1  0  0  0  0
 15 12  1  0  0  0  0
 16  6  1  0  0  0  0
 17  6  1  0  0  0  0
 18 17  1  0  0  0  0
 19 16  1  0  0  0  0
 20 18  1  0  0  0  0
  5  4  2  0  0  0  0
 19 20  1  0  0  0  0
 14 12  2  0  0  0  0
M  END
>  <Mol_ID> (3,711)
3711

>  <Formula> (3,711)
C15H14ClN3O

>  <MolWeight> (3,711)
287.74416

>  <COMPOUND_NAME> (3,711)
WAY-278421

>  <BAR_CODE_NO> (3,711)
389076

$$$$
WAY-329411
csChFnd80/06171916322D

 35 39  0  0  0  0  0  0  0  0999 V2000
   11.2000   -9.9750    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.6750   -7.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5000   -8.4375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7875   -8.7125    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.6125   -9.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5000  -10.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3125  -10.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0125  -10.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4000   -6.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1625  -11.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0000   -7.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5500   -5.7625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5000  -12.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1750  -12.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5000  -14.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1625  -13.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5125  -13.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1750  -14.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5375   -6.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3125   -9.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3875   -9.2625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0875   -7.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1875  -13.7000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.7250  -12.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4875  -13.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5125  -16.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1250  -11.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7750   -8.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8625   -6.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1875  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1500  -14.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8375  -13.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5375  -12.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1000   -8.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6375   -7.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5  8  1  0  0  0  0
  6  1  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9  2  2  0  0  0  0
 10  6  1  0  0  0  0
 11  2  1  0  0  0  0
 12  9  1  0  0  0  0
 13 10  1  0  0  0  0
 14 13  2  0  0  0  0
 15 16  2  0  0  0  0
 16 13  1  0  0  0  0
 17 14  1  0  0  0  0
 18 15  1  0  0  0  0
 19 11  2  0  0  0  0
 20  5  2  0  0  0  0
 21  6  2  0  0  0  0
 22  3  1  0  0  0  0
 23 17  1  0  0  0  0
 24  7  2  0  0  0  0
 25 16  1  0  0  0  0
 26 18  1  0  0  0  0
 27  8  2  0  0  0  0
 28 11  1  0  0  0  0
 29 19  1  0  0  0  0
 30 26  1  0  0  0  0
 31 25  1  0  0  0  0
 32 24  1  0  0  0  0
 33 32  2  0  0  0  0
 34 28  2  0  0  0  0
 35 34  1  0  0  0  0
  3  5  1  0  0  0  0
 27 33  1  0  0  0  0
 12 19  1  0  0  0  0
 18 17  2  0  0  0  0
 29 35  2  0  0  0  0
M  END
>  <Mol_ID> (3,712)
3712

>  <Formula> (3,712)
C27H24ClN3O4

>  <MolWeight> (3,712)
489.95016

>  <COMPOUND_NAME> (3,712)
WAY-329411

>  <BAR_CODE_NO> (3,712)
304412

$$$$
WAY-329689
csChFnd80/06171916322D

 36 40  0  0  0  0  0  0  0  0999 V2000
   -8.2042   10.9542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -5.5083   10.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8292   13.4500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8292   11.7542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -8.2833   14.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2042    7.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7500   11.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7500   13.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6708    9.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7167    6.3250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8750   11.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1083    8.4167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7167    4.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0208    9.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2667   16.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7500    6.3542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2167    3.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2417    3.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3500   14.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2375    1.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2542    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2042   10.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7542    1.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2042   14.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6667    4.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0458   12.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4333   14.3292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458    9.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8750   13.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7875    1.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1750    3.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3833   15.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6667   11.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6667   13.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458   12.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958   11.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5  8  1  0  0  0  0
  6  1  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9  2  2  0  0  0  0
 10  6  1  0  0  0  0
 11  2  1  0  0  0  0
 12  9  1  0  0  0  0
 13 10  1  0  0  0  0
 14 11  2  0  0  0  0
 15  5  2  0  0  0  0
 16  6  2  0  0  0  0
 17 13  2  0  0  0  0
 18 13  1  0  0  0  0
 19  3  1  0  0  0  0
 20 17  1  0  0  0  0
 21 18  2  0  0  0  0
 22  7  2  0  0  0  0
 23 21  1  0  0  0  0
 24  8  2  0  0  0  0
 25 17  1  0  0  0  0
 26 11  1  0  0  0  0
 27 29  1  0  0  0  0
 28 14  1  0  0  0  0
 29 19  1  0  0  0  0
 30 21  1  0  0  0  0
 31 25  1  0  0  0  0
 32 27  1  0  0  0  0
 33 22  1  0  0  0  0
 34 33  2  0  0  0  0
 35 26  2  0  0  0  0
 36 35  1  0  0  0  0
  3  5  1  0  0  0  0
 24 34  1  0  0  0  0
 12 14  1  0  0  0  0
 23 20  2  0  0  0  0
 28 36  2  0  0  0  0
M  END
>  <Mol_ID> (3,713)
3713

>  <Formula> (3,713)
C29H29N3O4

>  <MolWeight> (3,713)
483.55826

>  <COMPOUND_NAME> (3,713)
WAY-329689

>  <BAR_CODE_NO> (3,713)
304690

$$$$
WAY-624958
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
    2.2917    0.7208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4667    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2458   -1.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7250   -0.7542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1167    0.7208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7250   -2.0917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4208   -1.4250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083   -0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5083   -1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5083   -1.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2917   -0.1042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2917    1.5458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0542    1.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0542    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4208    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833   -0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7667    0.7208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292    1.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5292    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5292    1.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4667    2.1458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3542    1.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3542    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2250   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2250   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0542    2.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9375   -1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9375   -1.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  7  1  0  0  0  0
  4  3  2  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  8  1  0  0  0  0
  8 17  1  0  0  0  0
  9  4  1  0  0  0  0
 10  6  1  0  0  0  0
 11  1  2  0  0  0  0
 12  1  2  0  0  0  0
 13  2  2  0  0  0  0
 14  2  1  0  0  0  0
 15 14  2  0  0  0  0
 16  8  2  0  0  0  0
 17 15  1  0  0  0  0
 18 24  1  0  0  0  0
 19 13  1  0  0  0  0
 20  5  1  0  0  0  0
 21  5  1  0  0  0  0
 22 15  1  0  0  0  0
 23 13  1  0  0  0  0
 24 21  1  0  0  0  0
 25 20  1  0  0  0  0
 26  9  1  0  0  0  0
 27 10  1  0  0  0  0
 28 23  1  0  0  0  0
 29 26  2  0  0  0  0
 30 27  2  0  0  0  0
 18 25  1  0  0  0  0
 22 19  2  0  0  0  0
 10  9  2  0  0  0  0
 30 29  1  0  0  0  0
M  END
>  <Mol_ID> (3,714)
3714

>  <Formula> (3,714)
C20H21N3O5S2

>  <MolWeight> (3,714)
447.52784

>  <COMPOUND_NAME> (3,714)
WAY-624958

>  <BAR_CODE_NO> (3,714)
90459138

$$$$
WAY-331457
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -8.3000   11.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2667    7.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4292    6.5625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0625   13.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0958    4.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4042    4.3542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1042    6.5292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2667   10.1417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2292   10.3667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7333   12.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8458   13.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4333   12.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7625    2.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6958   16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5000    2.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6667    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3083   13.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1000   -1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4375   15.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3292   -1.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1458    0.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9417   13.9917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7333   -2.9417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000   12.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4583   -2.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  8  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  2  0  0  0  0
  5  3  1  0  0  0  0
  6  7  1  0  0  0  0
  7  2  2  0  0  0  0
  8  1  1  0  0  0  0
  9  1  1  0  0  0  0
 10  9  1  0  0  0  0
 11  4  1  0  0  0  0
 12 10  1  0  0  0  0
 13  5  1  0  0  0  0
 14 11  1  0  0  0  0
 15 13  1  0  0  0  0
 16 13  2  0  0  0  0
 17 12  2  0  0  0  0
 18 20  2  0  0  0  0
 19 14  2  0  0  0  0
 20 16  1  0  0  0  0
 21 15  2  0  0  0  0
 22 17  1  0  0  0  0
 23 18  1  0  0  0  0
 24 22  1  0  0  0  0
 25 23  1  0  0  0  0
 10 11  2  0  0  0  0
  5  6  2  0  0  0  0
 17 19  1  0  0  0  0
 18 21  1  0  0  0  0
M  END
>  <Mol_ID> (3,715)
3715

>  <Formula> (3,715)
C17H14N4O3S

>  <MolWeight> (3,715)
354.38306

>  <COMPOUND_NAME> (3,715)
WAY-331457

>  <BAR_CODE_NO> (3,715)
306458

$$$$
WAY-329424
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
   10.2083   -6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3000   -7.3750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4375   -7.6125    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.8000   -8.7125    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.5250   -8.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0250   -9.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8875   -9.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9750   -5.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3625   -6.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9750   -5.0375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9250   -8.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8375   -5.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3875   -8.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7125   -8.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5125   -9.9625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9375   -6.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3750  -10.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1125  -10.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0500   -7.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5125  -11.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5125  -13.9875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9250  -10.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9875   -5.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9250  -12.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9250  -14.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6000  -11.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4625  -11.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2000   -7.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5125  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6750   -6.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  1  2  0  0  0  0
  9  1  1  0  0  0  0
 10  8  1  0  0  0  0
 11  4  1  0  0  0  0
 12  9  2  0  0  0  0
 13  5  2  0  0  0  0
 14 11  2  0  0  0  0
 15 11  1  0  0  0  0
 16  2  1  0  0  0  0
 17  6  2  0  0  0  0
 18  7  2  0  0  0  0
 19  9  1  0  0  0  0
 20 22  1  0  0  0  0
 21 24  1  0  0  0  0
 22 15  1  0  0  0  0
 23 12  1  0  0  0  0
 24 20  1  0  0  0  0
 25 21  1  0  0  0  0
 26 17  1  0  0  0  0
 27 26  2  0  0  0  0
 28 19  2  0  0  0  0
 29 25  1  0  0  0  0
 30 28  1  0  0  0  0
 10 12  1  0  0  0  0
 23 30  2  0  0  0  0
  5  7  1  0  0  0  0
 27 18  1  0  0  0  0
M  END
>  <Mol_ID> (3,716)
3716

>  <Formula> (3,716)
C24H27N3O3

>  <MolWeight> (3,716)
405.48948

>  <COMPOUND_NAME> (3,716)
WAY-329424

>  <BAR_CODE_NO> (3,716)
304425

$$$$
WAY-329686
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
   -8.2042   10.9542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -5.5083   10.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8292   13.4500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8292   11.7542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -8.2833   14.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2042    7.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7500   11.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7500   13.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6708    9.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8750   11.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1083    8.4167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7167    6.3250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0208    9.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2667   16.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7500    6.3542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3500   14.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2042   10.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2042   14.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7167    4.5458    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.0458   12.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4333   14.3292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458    9.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8750   13.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3833   15.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1792    3.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2292    3.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6667   11.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6667   13.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458   12.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1792    1.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958   11.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5  8  1  0  0  0  0
  6  1  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9  2  2  0  0  0  0
 10  2  1  0  0  0  0
 11  9  1  0  0  0  0
 12  6  1  0  0  0  0
 13 10  2  0  0  0  0
 14  5  2  0  0  0  0
 15  6  2  0  0  0  0
 16  3  1  0  0  0  0
 17  7  2  0  0  0  0
 18  8  2  0  0  0  0
 19 12  1  0  0  0  0
 20 10  1  0  0  0  0
 21 23  1  0  0  0  0
 22 13  1  0  0  0  0
 23 16  1  0  0  0  0
 24 21  1  0  0  0  0
 25 19  1  0  0  0  0
 26 19  1  0  0  0  0
 27 17  1  0  0  0  0
 28 27  2  0  0  0  0
 29 20  2  0  0  0  0
 30 25  1  0  0  0  0
 31 29  1  0  0  0  0
  3  5  1  0  0  0  0
 18 28  1  0  0  0  0
 11 13  1  0  0  0  0
 22 31  2  0  0  0  0
M  END
>  <Mol_ID> (3,717)
3717

>  <Formula> (3,717)
C25H29N3O3

>  <MolWeight> (3,717)
419.51606

>  <COMPOUND_NAME> (3,717)
WAY-329686

>  <BAR_CODE_NO> (3,717)
304687

$$$$
WAY-329410
csChFnd80/06171916322D

 32 36  0  0  0  0  0  0  0  0999 V2000
   10.4500   -9.3000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.8875   -7.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8625   -7.8625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0750   -8.1250    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.0250   -8.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6625   -9.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6250  -10.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4125   -9.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6375   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1250   -7.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7125   -5.3750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2875  -10.6375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6375   -6.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8250   -8.5250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4875   -8.6375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6625  -11.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2875  -12.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4750   -6.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6625  -13.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0000  -11.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5875  -10.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8625   -8.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2875  -14.9250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8000  -12.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4250  -11.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8625   -6.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4250  -13.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6625  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1750  -12.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9625  -12.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0875   -8.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5875   -7.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5  8  1  0  0  0  0
  6  1  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9  2  2  0  0  0  0
 10  2  1  0  0  0  0
 11  9  1  0  0  0  0
 12  6  1  0  0  0  0
 13 10  2  0  0  0  0
 14  5  2  0  0  0  0
 15  6  2  0  0  0  0
 16 12  1  0  0  0  0
 17 16  1  0  0  0  0
 18  3  1  0  0  0  0
 19 17  2  0  0  0  0
 20  7  2  0  0  0  0
 21  8  2  0  0  0  0
 22 10  1  0  0  0  0
 23 19  1  0  0  0  0
 24 25  1  0  0  0  0
 25 16  2  0  0  0  0
 26 13  1  0  0  0  0
 27 24  2  0  0  0  0
 28 23  1  0  0  0  0
 29 20  1  0  0  0  0
 30 29  2  0  0  0  0
 31 22  2  0  0  0  0
 32 31  1  0  0  0  0
  3  5  1  0  0  0  0
 21 30  1  0  0  0  0
 11 13  1  0  0  0  0
 27 19  1  0  0  0  0
 26 32  2  0  0  0  0
M  END
>  <Mol_ID> (3,718)
3718

>  <Formula> (3,718)
C26H23N3O3

>  <MolWeight> (3,718)
425.47912

>  <COMPOUND_NAME> (3,718)
WAY-329410

>  <BAR_CODE_NO> (3,718)
304411

$$$$
WAY-329685
csChFnd80/06171916322D

 35 39  0  0  0  0  0  0  0  0999 V2000
   -8.2042   10.9542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -5.5083   10.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8292   13.4500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8292   11.7542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -8.2833   14.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2042    7.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7500   11.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7500   13.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6708    9.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8750   11.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1083    8.4167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7167    6.3250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0208    9.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2667   16.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7500    6.3542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7167    4.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2042    3.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3500   14.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2375    1.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2042   10.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2042   14.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0458   12.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7208    1.0375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2542    1.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4333   14.3292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2292    3.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458    9.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7500    1.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8750   13.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7500   -0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3833   15.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6667   11.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6667   13.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458   12.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958   11.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5  8  1  0  0  0  0
  6  1  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9  2  2  0  0  0  0
 10  2  1  0  0  0  0
 11  9  1  0  0  0  0
 12  6  1  0  0  0  0
 13 10  2  0  0  0  0
 14  5  2  0  0  0  0
 15  6  2  0  0  0  0
 16 12  1  0  0  0  0
 17 16  1  0  0  0  0
 18  3  1  0  0  0  0
 19 17  2  0  0  0  0
 20  7  2  0  0  0  0
 21  8  2  0  0  0  0
 22 10  1  0  0  0  0
 23 19  1  0  0  0  0
 24 26  1  0  0  0  0
 25 29  1  0  0  0  0
 26 16  2  0  0  0  0
 27 13  1  0  0  0  0
 28 24  2  0  0  0  0
 29 18  1  0  0  0  0
 30 23  1  0  0  0  0
 31 25  1  0  0  0  0
 32 20  1  0  0  0  0
 33 32  2  0  0  0  0
 34 22  2  0  0  0  0
 35 34  1  0  0  0  0
  3  5  1  0  0  0  0
 21 33  1  0  0  0  0
 11 13  1  0  0  0  0
 28 19  1  0  0  0  0
 27 35  2  0  0  0  0
M  END
>  <Mol_ID> (3,719)
3719

>  <Formula> (3,719)
C28H27N3O4

>  <MolWeight> (3,719)
469.53168

>  <COMPOUND_NAME> (3,719)
WAY-329685

>  <BAR_CODE_NO> (3,719)
304686

$$$$
WAY-329423
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
   11.6750   -7.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5000   -8.4375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7875   -8.7125    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.2000   -9.9750    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.6125   -9.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3125  -10.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0125  -10.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4000   -6.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0000   -7.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5500   -5.7625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5000  -10.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5375   -6.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3125   -9.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3875   -9.2625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1625  -11.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0875   -7.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7250  -12.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1250  -11.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5000  -12.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7750   -8.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8625   -6.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1625  -13.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5000  -14.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8375  -13.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5375  -12.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1000   -8.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1625  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1750  -14.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6375   -7.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  1  2  0  0  0  0
  9  1  1  0  0  0  0
 10  8  1  0  0  0  0
 11  4  1  0  0  0  0
 12  9  2  0  0  0  0
 13  5  2  0  0  0  0
 14 11  2  0  0  0  0
 15 11  1  0  0  0  0
 16  2  1  0  0  0  0
 17  6  2  0  0  0  0
 18  7  2  0  0  0  0
 19 15  1  0  0  0  0
 20  9  1  0  0  0  0
 21 12  1  0  0  0  0
 22 19  1  0  0  0  0
 23 22  1  0  0  0  0
 24 17  1  0  0  0  0
 25 24  2  0  0  0  0
 26 20  2  0  0  0  0
 27 23  1  0  0  0  0
 28 23  1  0  0  0  0
 29 26  1  0  0  0  0
 10 12  1  0  0  0  0
 21 29  2  0  0  0  0
  5  7  1  0  0  0  0
 25 18  1  0  0  0  0
M  END
>  <Mol_ID> (3,720)
3720

>  <Formula> (3,720)
C24H27N3O2

>  <MolWeight> (3,720)
389.49008

>  <COMPOUND_NAME> (3,720)
WAY-329423

>  <BAR_CODE_NO> (3,720)
304424

$$$$
WAY-331483
csChFnd80/06171916322D

 17 19  0  0  0  0  0  0  0  0999 V2000
    0.8103    0.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8931   -0.0207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1276   -0.7862    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2276    0.9552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4931    0.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3759   -0.9828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8724   -0.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8103    0.6828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4586   -1.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8483   -0.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7103    1.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0621   -0.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7483   -0.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6862    0.7966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7172   -0.7586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6276   -0.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
  7  8  2  0  0  0  0
 10 13  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (3,721)
3721

>  <Formula> (3,721)
C13H16N2OS

>  <MolWeight> (3,721)
248.34394

>  <COMPOUND_NAME> (3,721)
WAY-331483

>  <BAR_CODE_NO> (3,721)
306484

$$$$
WAY-329345
csChFnd80/06171916322D

 32 35  0  0  0  0  0  0  0  0999 V2000
    9.5250    1.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0917    4.6708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0917    2.4083    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.1375    1.2833    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.1375    5.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8250   -0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2125    2.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6000   -1.7250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2125    4.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7292    1.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3792   -0.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1375   -2.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1375    8.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0875   -4.0917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1417   -4.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0542    5.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5625   -3.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1750   -9.9292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2875    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2875    5.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2292    3.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1417   -6.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5292   -0.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1750   -7.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1667  -11.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1417  -11.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6708    2.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3667    2.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6708    4.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000    0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1417  -13.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1625   -9.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  2  0  0  0  0
  7  4  1  0  0  0  0
  8  6  1  0  0  0  0
  9  7  1  0  0  0  0
 10  1  1  0  0  0  0
 11 10  2  0  0  0  0
 12  4  1  0  0  0  0
 13  5  2  0  0  0  0
 14 12  2  0  0  0  0
 15 12  1  0  0  0  0
 16  2  1  0  0  0  0
 17  8  1  0  0  0  0
 18 24  1  0  0  0  0
 19  7  2  0  0  0  0
 20  9  2  0  0  0  0
 21 10  1  0  0  0  0
 22 15  1  0  0  0  0
 23 11  1  0  0  0  0
 24 22  1  0  0  0  0
 25 18  1  0  0  0  0
 26 18  1  0  0  0  0
 27 19  1  0  0  0  0
 28 21  2  0  0  0  0
 29 27  2  0  0  0  0
 30 28  1  0  0  0  0
 31 26  1  0  0  0  0
 32 25  1  0  0  0  0
 11  8  1  0  0  0  0
 30 23  2  0  0  0  0
  9  5  1  0  0  0  0
 20 29  1  0  0  0  0
M  END
>  <Mol_ID> (3,722)
3722

>  <Formula> (3,722)
C26H32N4O2

>  <MolWeight> (3,722)
432.55788

>  <COMPOUND_NAME> (3,722)
WAY-329345

>  <BAR_CODE_NO> (3,722)
304346

$$$$
WAY-329342
csChFnd80/06171916322D

 33 37  0  0  0  0  0  0  0  0999 V2000
    9.5250    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0917    3.7042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0917    1.4250    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.1375    0.3083    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.1375    4.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8250   -1.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2125    1.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6000   -2.7042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2125    3.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7292    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3792   -1.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1375   -3.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1417   -5.1042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1375    7.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0875   -5.0667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0542    4.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1417   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1792  -10.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5625   -4.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1625   -8.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2875    0.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1917  -12.0417    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.2875    4.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2292    2.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1917  -12.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1792   -8.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1750  -10.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1667   -7.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5292   -1.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6708    1.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3667    1.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6708    3.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  2  0  0  0  0
  7  4  1  0  0  0  0
  8  6  1  0  0  0  0
  9  7  1  0  0  0  0
 10  1  1  0  0  0  0
 11 10  2  0  0  0  0
 12  4  1  0  0  0  0
 13 12  1  0  0  0  0
 14  5  2  0  0  0  0
 15 12  2  0  0  0  0
 16  2  1  0  0  0  0
 17 13  1  0  0  0  0
 18 26  2  0  0  0  0
 19  8  1  0  0  0  0
 20 17  1  0  0  0  0
 21  7  2  0  0  0  0
 22 18  1  0  0  0  0
 23  9  2  0  0  0  0
 24 10  1  0  0  0  0
 25 27  2  0  0  0  0
 26 28  1  0  0  0  0
 27 20  1  0  0  0  0
 28 20  2  0  0  0  0
 29 11  1  0  0  0  0
 30 21  1  0  0  0  0
 31 24  2  0  0  0  0
 32 30  2  0  0  0  0
 33 31  1  0  0  0  0
 11  8  1  0  0  0  0
 33 29  2  0  0  0  0
  9  5  1  0  0  0  0
 23 32  1  0  0  0  0
 18 25  1  0  0  0  0
M  END
>  <Mol_ID> (3,723)
3723

>  <Formula> (3,723)
C27H24FN3O2

>  <MolWeight> (3,723)
441.4967632

>  <COMPOUND_NAME> (3,723)
WAY-329342

>  <BAR_CODE_NO> (3,723)
304343

$$$$
WAY-329356
csChFnd80/06171916322D

 33 37  0  0  0  0  0  0  0  0999 V2000
   10.2667    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2292    3.0833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2292    1.0833    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.5125    0.0833    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.5125    4.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6417   -1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8125    1.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2042   -2.5667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8125    3.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2125    0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7792   -1.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5125   -3.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7417   -4.6792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5125    6.0458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2125   -4.6417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9792    4.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7417   -6.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1750   -4.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9792   -7.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5500   -9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    4.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5417    1.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2125   -6.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9792   -9.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2125  -10.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5708   -7.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6875   -1.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3125  -10.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792    1.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4292    1.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792    3.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  2  0  0  0  0
  7  4  1  0  0  0  0
  8  6  1  0  0  0  0
  9  7  1  0  0  0  0
 10  1  1  0  0  0  0
 11 10  2  0  0  0  0
 12  4  1  0  0  0  0
 13 12  1  0  0  0  0
 14  5  2  0  0  0  0
 15 12  2  0  0  0  0
 16  2  1  0  0  0  0
 17 13  1  0  0  0  0
 18  8  1  0  0  0  0
 19 17  1  0  0  0  0
 20  7  2  0  0  0  0
 21 26  1  0  0  0  0
 22  9  2  0  0  0  0
 23 10  1  0  0  0  0
 24 19  2  0  0  0  0
 25 19  1  0  0  0  0
 26 25  2  0  0  0  0
 27 24  1  0  0  0  0
 28 11  1  0  0  0  0
 29 21  1  0  0  0  0
 30 20  1  0  0  0  0
 31 23  2  0  0  0  0
 32 30  2  0  0  0  0
 33 31  1  0  0  0  0
 11  8  1  0  0  0  0
 33 28  2  0  0  0  0
  9  5  1  0  0  0  0
 22 32  1  0  0  0  0
 21 27  2  0  0  0  0
M  END
>  <Mol_ID> (3,724)
3724

>  <Formula> (3,724)
C28H27N3O2

>  <MolWeight> (3,724)
437.53288

>  <COMPOUND_NAME> (3,724)
WAY-329356

>  <BAR_CODE_NO> (3,724)
304357

$$$$
WAY-329352
csChFnd80/06171916322D

 34 38  0  0  0  0  0  0  0  0999 V2000
    9.5250    0.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0917    3.6458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0917    1.3875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.1375    0.2458    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.1375    4.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8250   -1.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2125    1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6000   -2.7375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2125    3.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7292    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3792   -1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1375   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1417   -5.1542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1375    6.9792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0875   -5.1167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0542    4.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1417   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5625   -4.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1625   -8.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2875    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1625  -10.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2875    4.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2292    2.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1750  -10.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1292   -7.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1500   -8.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1667  -12.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5292   -1.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1917  -12.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1750  -10.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6708    1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3667    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6708    3.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  2  0  0  0  0
  7  4  1  0  0  0  0
  8  6  1  0  0  0  0
  9  7  1  0  0  0  0
 10  1  1  0  0  0  0
 11 10  2  0  0  0  0
 12  4  1  0  0  0  0
 13 12  1  0  0  0  0
 14  5  2  0  0  0  0
 15 12  2  0  0  0  0
 16  2  1  0  0  0  0
 17 13  1  0  0  0  0
 18  8  1  0  0  0  0
 19 17  1  0  0  0  0
 20  7  2  0  0  0  0
 21 26  1  0  0  0  0
 22  9  2  0  0  0  0
 23 10  1  0  0  0  0
 24 19  2  0  0  0  0
 25 19  1  0  0  0  0
 26 25  2  0  0  0  0
 27 24  1  0  0  0  0
 28 11  1  0  0  0  0
 29 21  1  0  0  0  0
 30 29  1  0  0  0  0
 31 20  1  0  0  0  0
 32 23  2  0  0  0  0
 33 31  2  0  0  0  0
 34 32  1  0  0  0  0
 11  8  1  0  0  0  0
 28 34  2  0  0  0  0
  9  5  1  0  0  0  0
 22 33  1  0  0  0  0
 21 27  2  0  0  0  0
M  END
>  <Mol_ID> (3,725)
3725

>  <Formula> (3,725)
C28H27N3O3

>  <MolWeight> (3,725)
453.53228

>  <COMPOUND_NAME> (3,725)
WAY-329352

>  <BAR_CODE_NO> (3,725)
304353

$$$$
WAY-329361
csChFnd80/06171916322D

 35 39  0  0  0  0  0  0  0  0999 V2000
   10.8417    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1125    2.9458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1125    1.1458    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.5542    0.2458    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.5542    3.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2875   -1.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0167    1.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7000   -2.1417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0167    2.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6000    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1167   -1.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5542   -3.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9667   -4.0417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5542    5.6167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1042   -4.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6750    3.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9667   -5.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6667   -3.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3792   -6.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4875    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042   -8.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4875    3.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7917    1.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7917   -5.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3792   -8.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7917   -9.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042   -6.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8292   -1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958   -9.6042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -8.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9292    1.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4917    1.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9292    2.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5958   -9.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  2  0  0  0  0
  7  4  1  0  0  0  0
  8  6  1  0  0  0  0
  9  7  1  0  0  0  0
 10  1  1  0  0  0  0
 11 10  2  0  0  0  0
 12  4  1  0  0  0  0
 13 12  1  0  0  0  0
 14  5  2  0  0  0  0
 15 12  2  0  0  0  0
 16  2  1  0  0  0  0
 17 13  1  0  0  0  0
 18  8  1  0  0  0  0
 19 17  1  0  0  0  0
 20  7  2  0  0  0  0
 21 26  1  0  0  0  0
 22  9  2  0  0  0  0
 23 10  1  0  0  0  0
 24 19  2  0  0  0  0
 25 19  1  0  0  0  0
 26 25  2  0  0  0  0
 27 24  1  0  0  0  0
 28 11  1  0  0  0  0
 29 21  1  0  0  0  0
 30 29  1  0  0  0  0
 31 20  1  0  0  0  0
 32 23  2  0  0  0  0
 33 31  2  0  0  0  0
 34 32  1  0  0  0  0
 35 30  1  0  0  0  0
 11  8  1  0  0  0  0
 28 34  2  0  0  0  0
  9  5  1  0  0  0  0
 22 33  1  0  0  0  0
 21 27  2  0  0  0  0
M  END
>  <Mol_ID> (3,726)
3726

>  <Formula> (3,726)
C29H29N3O3

>  <MolWeight> (3,726)
467.55886

>  <COMPOUND_NAME> (3,726)
WAY-329361

>  <BAR_CODE_NO> (3,726)
304362

$$$$
WAY-329341
csChFnd80/06171916322D

 34 38  0  0  0  0  0  0  0  0999 V2000
    9.9375    1.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7292    4.3417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7292    2.2458    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.9125    1.1833    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.9125    5.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2792   -0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1167    2.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9292   -1.6125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1167    4.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0000    1.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5917   -0.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9125   -2.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0375   -3.8667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9125    7.4708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1875   -7.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0375   -6.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7125   -3.8292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1875   -9.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5750    5.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8917   -3.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042    5.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4042    3.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0792  -10.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6125   -0.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7125   -6.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6833  -10.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1042  -12.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5125    2.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4000    2.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5125    4.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5750   -7.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5583   -9.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  2  0  0  0  0
  7  4  1  0  0  0  0
  8  6  1  0  0  0  0
  9  7  1  0  0  0  0
 10  1  1  0  0  0  0
 11 10  2  0  0  0  0
 12  4  1  0  0  0  0
 13 12  1  0  0  0  0
 14  5  2  0  0  0  0
 15 16  1  0  0  0  0
 16 13  1  0  0  0  0
 17 12  2  0  0  0  0
 18 15  2  0  0  0  0
 19  2  1  0  0  0  0
 20  8  1  0  0  0  0
 21  7  2  0  0  0  0
 22  9  2  0  0  0  0
 23 10  1  0  0  0  0
 24 18  1  0  0  0  0
 25 11  1  0  0  0  0
 26 15  1  0  0  0  0
 27 18  1  0  0  0  0
 28 24  1  0  0  0  0
 29 21  1  0  0  0  0
 30 23  2  0  0  0  0
 31 29  2  0  0  0  0
 32 30  1  0  0  0  0
 33 26  2  0  0  0  0
 34 33  1  0  0  0  0
 11  8  1  0  0  0  0
 25 32  2  0  0  0  0
  9  5  1  0  0  0  0
 22 31  1  0  0  0  0
 27 34  2  0  0  0  0
M  END
>  <Mol_ID> (3,727)
3727

>  <Formula> (3,727)
C28H27N3O3

>  <MolWeight> (3,727)
453.53228

>  <COMPOUND_NAME> (3,727)
WAY-329341

>  <BAR_CODE_NO> (3,727)
304342

$$$$
WAY-329359
csChFnd80/06171916322D

 36 40  0  0  0  0  0  0  0  0999 V2000
   10.8292   -1.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1042    1.0833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1042   -0.7542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.5167   -1.6750    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.5167    1.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2708   -3.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9292   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6917   -4.0417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9292    1.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5792   -1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1125   -3.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5167   -3.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9292   -4.4292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292   -4.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1375   -5.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4708   -4.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5167    3.8333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3167   -5.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1042   -4.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292   -2.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7167    2.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4708   -2.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6667   -5.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3417   -1.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1417   -1.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1375   -7.2042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3417    1.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7792   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8125   -3.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0833   -1.6750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7250   -8.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6750   -2.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7500   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4792   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7500    1.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -2.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  2  0  0  0  0
  7  4  1  0  0  0  0
  8  6  1  0  0  0  0
  9  7  1  0  0  0  0
 10  1  1  0  0  0  0
 11 10  2  0  0  0  0
 12  4  1  0  0  0  0
 13 12  1  0  0  0  0
 14 18  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17  5  2  0  0  0  0
 18 13  1  0  0  0  0
 19 12  2  0  0  0  0
 20 14  1  0  0  0  0
 21  2  1  0  0  0  0
 22 25  1  0  0  0  0
 23  8  1  0  0  0  0
 24  7  2  0  0  0  0
 25 20  2  0  0  0  0
 26 15  1  0  0  0  0
 27  9  2  0  0  0  0
 28 10  1  0  0  0  0
 29 11  1  0  0  0  0
 30 22  1  0  0  0  0
 31 26  1  0  0  0  0
 32 30  1  0  0  0  0
 33 24  1  0  0  0  0
 34 28  2  0  0  0  0
 35 33  2  0  0  0  0
 36 34  1  0  0  0  0
 11  8  1  0  0  0  0
 29 36  2  0  0  0  0
  9  5  1  0  0  0  0
 27 35  1  0  0  0  0
 22 16  2  0  0  0  0
M  END
>  <Mol_ID> (3,728)
3728

>  <Formula> (3,728)
C29H29N3O4

>  <MolWeight> (3,728)
483.55826

>  <COMPOUND_NAME> (3,728)
WAY-329359

>  <BAR_CODE_NO> (3,728)
304360

$$$$
WAY-329360
csChFnd80/06171916322D

 34 38  0  0  0  0  0  0  0  0999 V2000
    9.9375    2.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7292    4.8917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7292    2.7833    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.9125    1.7250    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.9125    5.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2792    0.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1167    2.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9292   -1.0750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1167    4.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0000    2.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5917    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9125   -2.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0375   -3.3125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9125    8.0292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7125   -3.2792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5750    5.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0375   -5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8917   -3.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1750   -8.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042    1.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542   -6.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6833   -9.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042    5.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4042    3.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6125   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6833  -12.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5750   -6.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6833   -5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5750   -8.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1750  -13.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5125    2.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4000    3.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5125    4.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000    1.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  2  0  0  0  0
  7  4  1  0  0  0  0
  8  6  1  0  0  0  0
  9  7  1  0  0  0  0
 10  1  1  0  0  0  0
 11 10  2  0  0  0  0
 12  4  1  0  0  0  0
 13 12  1  0  0  0  0
 14  5  2  0  0  0  0
 15 12  2  0  0  0  0
 16  2  1  0  0  0  0
 17 13  1  0  0  0  0
 18  8  1  0  0  0  0
 19 21  1  0  0  0  0
 20  7  2  0  0  0  0
 21 17  1  0  0  0  0
 22 19  2  0  0  0  0
 23  9  2  0  0  0  0
 24 10  1  0  0  0  0
 25 11  1  0  0  0  0
 26 22  1  0  0  0  0
 27 28  1  0  0  0  0
 28 21  2  0  0  0  0
 29 27  2  0  0  0  0
 30 26  1  0  0  0  0
 31 20  1  0  0  0  0
 32 24  2  0  0  0  0
 33 31  2  0  0  0  0
 34 32  1  0  0  0  0
 11  8  1  0  0  0  0
 25 34  2  0  0  0  0
  9  5  1  0  0  0  0
 23 33  1  0  0  0  0
 29 22  1  0  0  0  0
M  END
>  <Mol_ID> (3,729)
3729

>  <Formula> (3,729)
C28H27N3O3

>  <MolWeight> (3,729)
453.53228

>  <COMPOUND_NAME> (3,729)
WAY-329360

>  <BAR_CODE_NO> (3,729)
304361

$$$$
WAY-331463
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -8.3000   11.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1292    4.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4292    6.5625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2667    7.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0625   13.5292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2667   10.1417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2292   10.3667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7333   12.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1167    6.5625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4042    4.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7917    2.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8708   14.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4333   12.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7292    0.4708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6958   16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3250   13.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5708    2.7958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4625   15.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667   14.0167    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2083    0.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9583    1.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  6  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9  4  1  0  0  0  0
 10  9  1  0  0  0  0
 11  2  1  0  0  0  0
 12  5  1  0  0  0  0
 13  8  1  0  0  0  0
 14 11  2  0  0  0  0
 15 12  1  0  0  0  0
 16 13  2  0  0  0  0
 17 11  1  0  0  0  0
 18 15  2  0  0  0  0
 19 16  1  0  0  0  0
 20 17  1  0  0  0  0
 21 20  1  0  0  0  0
  8 12  2  0  0  0  0
  2 10  2  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (3,730)
3730

>  <Formula> (3,730)
C13H10FN3O2S2

>  <MolWeight> (3,730)
323.3658032

>  <COMPOUND_NAME> (3,730)
WAY-331463

>  <BAR_CODE_NO> (3,730)
306464

$$$$
WAY-329340
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
    9.5250   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1375   -0.4625    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0917    2.9333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0917    0.6583    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.1375    4.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1375   -4.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8250   -2.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2125    0.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6000   -3.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2125    2.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7292   -0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3792   -2.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1417   -5.8750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1375    6.2625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0875   -5.8417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0542    4.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5625   -5.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2875   -0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2875    4.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2292    1.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1417   -8.1917    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   14.5292   -2.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1750   -9.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1500   -9.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6708    0.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3667    1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6708    2.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1750  -11.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  2  0  0  0  0
  8  2  1  0  0  0  0
  9  7  1  0  0  0  0
 10  5  1  0  0  0  0
 11  1  1  0  0  0  0
 12 11  2  0  0  0  0
 13  6  1  0  0  0  0
 14  5  2  0  0  0  0
 15  6  2  0  0  0  0
 16  3  1  0  0  0  0
 17  9  1  0  0  0  0
 18  8  2  0  0  0  0
 19 10  2  0  0  0  0
 20 11  1  0  0  0  0
 21 13  1  0  0  0  0
 22 12  1  0  0  0  0
 23 21  1  0  0  0  0
 24 21  1  0  0  0  0
 25 18  1  0  0  0  0
 26 20  2  0  0  0  0
 27 19  1  0  0  0  0
 28 26  1  0  0  0  0
 29 23  1  0  0  0  0
 12  9  1  0  0  0  0
 22 28  2  0  0  0  0
  8 10  1  0  0  0  0
 25 27  2  0  0  0  0
M  END
>  <Mol_ID> (3,731)
3731

>  <Formula> (3,731)
C24H27N3O2

>  <MolWeight> (3,731)
389.49008

>  <COMPOUND_NAME> (3,731)
WAY-329340

>  <BAR_CODE_NO> (3,731)
304341

$$$$
WAY-329358
csChFnd80/06171916322D

 34 38  0  0  0  0  0  0  0  0999 V2000
    9.5542    2.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1417    5.2125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1417    2.9625    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.1875    1.8375    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.1875    6.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8542    0.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2750    2.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6167   -1.1417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2750    5.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7500    2.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4000    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875   -2.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875    8.5542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1042   -3.4917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042   -3.5292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0917    6.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5833   -3.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542    1.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2583  -10.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542    6.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2417    3.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542   -9.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2750  -12.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042   -5.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5292   -0.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6958  -12.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542   -7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2875  -13.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333  -10.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2917  -13.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958    2.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3667    3.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958    5.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000    1.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  2  0  0  0  0
  7  4  1  0  0  0  0
  8  6  1  0  0  0  0
  9  7  1  0  0  0  0
 10  1  1  0  0  0  0
 11 10  2  0  0  0  0
 12  4  1  0  0  0  0
 13  5  2  0  0  0  0
 14 12  2  0  0  0  0
 15 12  1  0  0  0  0
 16  2  1  0  0  0  0
 17  8  1  0  0  0  0
 18  7  2  0  0  0  0
 19 22  2  0  0  0  0
 20  9  2  0  0  0  0
 21 10  1  0  0  0  0
 22 27  1  0  0  0  0
 23 19  1  0  0  0  0
 24 15  1  0  0  0  0
 25 11  1  0  0  0  0
 26 29  2  0  0  0  0
 27 24  1  0  0  0  0
 28 26  1  0  0  0  0
 29 22  1  0  0  0  0
 30 23  1  0  0  0  0
 31 18  1  0  0  0  0
 32 21  2  0  0  0  0
 33 31  2  0  0  0  0
 34 32  1  0  0  0  0
 11  8  1  0  0  0  0
 25 34  2  0  0  0  0
  9  5  1  0  0  0  0
 20 33  1  0  0  0  0
 23 28  2  0  0  0  0
M  END
>  <Mol_ID> (3,732)
3732

>  <Formula> (3,732)
C29H29N3O2

>  <MolWeight> (3,732)
451.55946

>  <COMPOUND_NAME> (3,732)
WAY-329358

>  <BAR_CODE_NO> (3,732)
304359

$$$$
WAY-329346
csChFnd80/06171916322D

 37 41  0  0  0  0  0  0  0  0999 V2000
    9.5417    3.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1167    6.7542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1167    4.5542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2542    3.4458    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2542    7.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8417    1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4042    4.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6125    0.4458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4042    6.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7375    3.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3917    1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2542   -0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1542  -10.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2542   10.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2292  -12.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1042   -1.7917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1542   -8.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3375   -1.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0042    7.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3125  -10.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2292   -7.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5750   -1.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542    3.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3125   -8.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0917  -12.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542    7.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2417    5.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2292  -14.2875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3375   -4.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5292    1.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2292   -5.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0292  -10.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3375  -15.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208    4.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3667    4.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208    6.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000    2.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  2  0  0  0  0
  7  4  1  0  0  0  0
  8  6  1  0  0  0  0
  9  7  1  0  0  0  0
 10  1  1  0  0  0  0
 11 10  2  0  0  0  0
 12  4  1  0  0  0  0
 13 17  1  0  0  0  0
 14  5  2  0  0  0  0
 15 20  1  0  0  0  0
 16 12  2  0  0  0  0
 17 21  2  0  0  0  0
 18 12  1  0  0  0  0
 19  2  1  0  0  0  0
 20 24  2  0  0  0  0
 21 31  1  0  0  0  0
 22  8  1  0  0  0  0
 23  7  2  0  0  0  0
 24 21  1  0  0  0  0
 25 13  1  0  0  0  0
 26  9  2  0  0  0  0
 27 10  1  0  0  0  0
 28 15  1  0  0  0  0
 29 18  1  0  0  0  0
 30 11  1  0  0  0  0
 31 29  1  0  0  0  0
 32 25  1  0  0  0  0
 33 28  1  0  0  0  0
 34 23  1  0  0  0  0
 35 27  2  0  0  0  0
 36 34  2  0  0  0  0
 37 35  1  0  0  0  0
 11  8  1  0  0  0  0
 30 37  2  0  0  0  0
  9  5  1  0  0  0  0
 26 36  1  0  0  0  0
 13 15  2  0  0  0  0
M  END
>  <Mol_ID> (3,733)
3733

>  <Formula> (3,733)
C30H31N3O4

>  <MolWeight> (3,733)
497.58484

>  <COMPOUND_NAME> (3,733)
WAY-329346

>  <BAR_CODE_NO> (3,733)
304347

$$$$
WAY-278833
csChFnd80/06171916322D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -2.1208    0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6208    0.5833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1208    0.2958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3500   -0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5125    0.3708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9625   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958    0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6208    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0375   -0.1167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6958   -1.3000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000   -0.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3500    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708   -0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4875    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792    0.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1708   -0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1458    1.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1000    1.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6125    2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1333    2.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0833    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5833    2.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0000    3.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  2  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
  9  2  1  0  0  0  0
 10  8  1  0  0  0  0
 11 14  1  0  0  0  0
 12  7  2  0  0  0  0
 13  8  2  0  0  0  0
 14  4  1  0  0  0  0
 15 10  1  0  0  0  0
 16 13  1  0  0  0  0
 17  6  1  0  0  0  0
 18  9  1  0  0  0  0
 19  9  2  0  0  0  0
 20 22  2  0  0  0  0
 21 18  2  0  0  0  0
 22 19  1  0  0  0  0
 23 20  1  0  0  0  0
 24 23  1  0  0  0  0
  6  3  2  0  0  0  0
 17 11  1  0  0  0  0
 21 20  1  0  0  0  0
 16 15  2  0  0  0  0
M  END
>  <Mol_ID> (3,734)
3734

>  <Formula> (3,734)
C17H15N3O2S2

>  <MolWeight> (3,734)
357.4499

>  <COMPOUND_NAME> (3,734)
WAY-278833

>  <BAR_CODE_NO> (3,734)
389488

$$$$
WAY-278808
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -0.4276   -0.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9106    0.3077    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3846   -0.0223    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6256   -0.6073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2136   -0.5893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1634    0.1337    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5714   -0.2983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9496    0.9047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9496   -1.5133    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4576   -1.1893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4514   -0.8863    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4116   -1.1563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5106    1.1507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4726    1.2317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1504   -0.1363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0486    2.0957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5206    1.8437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5676    1.7717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0726    2.6957    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.5884   -0.5413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1524   -0.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4594   -1.1293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9004   -1.5433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5964   -0.7603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4884   -1.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  2  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  2  1  0  0  0  0
  9 10  1  0  0  0  0
 10  4  1  0  0  0  0
 11  7  2  0  0  0  0
 12  5  1  0  0  0  0
 13  8  2  0  0  0  0
 14  8  1  0  0  0  0
 15  7  1  0  0  0  0
 16 17  1  0  0  0  0
 14 17  2  0  0  0  0
 18 13  1  0  0  0  0
 19 16  1  0  0  0  0
 20 15  1  0  0  0  0
 21 20  2  0  0  0  0
 22 20  1  0  0  0  0
 22 23  2  0  0  0  0
 24 21  1  0  0  0  0
 25 23  1  0  0  0  0
  3  5  2  0  0  0  0
 12  9  1  0  0  0  0
 16 18  2  0  0  0  0
 25 24  2  0  0  0  0
M  END
>  <Mol_ID> (3,735)
3735

>  <Formula> (3,735)
C19H16ClN3OS

>  <MolWeight> (3,735)
369.86784

>  <COMPOUND_NAME> (3,735)
WAY-278808

>  <BAR_CODE_NO> (3,735)
389463

$$$$
WAY-278705
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -1.4199    1.4578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2061    0.2336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3165    2.0164    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5820    1.9060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0180    0.0405    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1717   -0.5422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5387    1.1612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5096    1.1198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3268   -0.1043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7732    1.3853    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6613    1.6095    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.5870    0.4164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1387   -0.7285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7801    0.6405    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9490   -0.9526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9663   -1.6629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5387   -2.1422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5490   -2.8147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3559   -3.0388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  6  9  2  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
  5  7  2  0  0  0  0
  8  9  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (3,736)
3736

>  <Formula> (3,736)
C14H15BrN2OS

>  <MolWeight> (3,736)
339.2507

>  <COMPOUND_NAME> (3,736)
WAY-278705

>  <BAR_CODE_NO> (3,736)
389360

$$$$
WAY-278870
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -1.0458    2.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4833    2.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833    2.3000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9833    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208    2.4625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000    3.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458    2.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3625    2.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208    2.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4625    1.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458    3.3458    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.7833    2.4833    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.3625    3.2208    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.8000    2.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458    3.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2500    2.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2458    2.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3833    3.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667    3.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042    3.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  3  1  0  0  0  0
  8  5  1  0  0  0  0
  9  5  1  0  0  0  0
 10  2  2  0  0  0  0
 11  4  1  0  0  0  0
 12  8  1  0  0  0  0
 13  9  1  0  0  0  0
 14 13  1  0  0  0  0
 15  6  1  0  0  0  0
 16  7  1  0  0  0  0
 17 12  1  0  0  0  0
 18 13  1  0  0  0  0
 19 15  2  0  0  0  0
 20 16  2  0  0  0  0
  6  7  2  0  0  0  0
 19 20  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <Mol_ID> (3,737)
3737

>  <Formula> (3,737)
C16H18ClNOS

>  <MolWeight> (3,737)
307.83822

>  <COMPOUND_NAME> (3,737)
WAY-278870

>  <BAR_CODE_NO> (3,737)
389525

$$$$
WAY-278553
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.7446   -0.6652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1343    0.3762    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.9757   -0.6549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1446   -1.7031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5343    1.4244    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1860    0.9762    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1343   -0.2031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5757   -1.6963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5653    0.3865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7550   -2.7445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0450   -1.6963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6657    1.4244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9446   -2.7549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4036    0.4348    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4036    2.4141    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5757   -3.8342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5657    0.8141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5657    2.0244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6347    0.2141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6347    2.6244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6761    0.8141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6761    2.0244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4 10  2  0  0  0  0
  4 11  1  0  0  0  0
  5 12  1  0  0  0  0
  8 13  2  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 10 13  1  0  0  0  0
 17 18  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (3,738)
3738

>  <Formula> (3,738)
C16H16N2O2S2

>  <MolWeight> (3,738)
332.44044

>  <COMPOUND_NAME> (3,738)
WAY-278553

>  <BAR_CODE_NO> (3,738)
389208

$$$$
WAY-278518
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.7760   -0.2214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0309   -0.3214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2794   -0.8938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1174    0.5442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5033    0.3614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3482   -1.0869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9484   -1.6765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6174    1.2097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1757    1.1338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3378    0.2545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1277   -1.7627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4243   -2.3421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6516    1.8097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0794   -3.0972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4826    1.7442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2930    2.5442    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2518   -3.2214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5105   -3.7938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9482    2.4097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7654    3.2407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5964    3.1648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  9 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  2  0  0  0  0
 19 21  2  0  0  0  0
  7 11  1  0  0  0  0
  8  9  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (3,739)
3739

>  <Formula> (3,739)
C16H11NO4

>  <MolWeight> (3,739)
281.26284

>  <COMPOUND_NAME> (3,739)
WAY-278518

>  <BAR_CODE_NO> (3,739)
389172

$$$$
WAY-616547
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
    0.9750   -0.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6875    0.3542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4042   -0.0583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4042   -0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2583    0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9750   -0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3833    1.4333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6875   -1.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3833    0.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8667    0.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5958    0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5958    1.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4542   -0.0583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8833   -0.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708    0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1167   -1.2958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2583    1.1792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8833    1.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1167    0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708    1.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2583   -1.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6875   -2.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6917    0.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1167    1.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2583   -2.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9750   -2.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8333    1.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  8  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7 12  1  0  0  0  0
  8  6  2  0  0  0  0
  9 11  1  0  0  0  0
 10  9  1  0  0  0  0
 11 14  1  0  0  0  0
 12 18  1  0  0  0  0
 13  5  1  0  0  0  0
 14 15  2  0  0  0  0
 15 13  1  0  0  0  0
 16  4  2  0  0  0  0
 17  5  2  0  0  0  0
 18 20  2  0  0  0  0
 19  3  1  0  0  0  0
 20 15  1  0  0  0  0
 21  6  1  0  0  0  0
 22  8  1  0  0  0  0
 23 10  1  0  0  0  0
 24 19  1  0  0  0  0
 25 21  2  0  0  0  0
 26 25  1  0  0  0  0
 27 24  1  0  0  0  0
  3  4  1  0  0  0  0
 22 26  2  0  0  0  0
 11 12  2  0  0  0  0
  7 10  2  0  0  0  0
M  END
>  <Mol_ID> (3,740)
3740

>  <Formula> (3,740)
C20H18N4O2S

>  <MolWeight> (3,740)
378.44752

>  <COMPOUND_NAME> (3,740)
WAY-616547

>  <BAR_CODE_NO> (3,740)
90450539

$$$$
WAY-278386
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
    1.4875    0.8333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6958    0.8125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708    1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1958    0.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6958    1.6708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0292    0.8500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6125    0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1958    1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667    0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5042    0.2958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4667    1.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0958    0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6500    0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708    0.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042    0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1875    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1875    0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6500    0.1958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667    1.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2875    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6500    1.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1125    1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1125    0.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1958   -0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7875    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8042    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1958   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0667    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  2  2  0  0  0  0
  4  8  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8 13  1  0  0  0  0
  9  6  1  0  0  0  0
 10  1  1  0  0  0  0
 11  1  2  0  0  0  0
 12  1  2  0  0  0  0
 13 18  1  0  0  0  0
 14  5  2  0  0  0  0
 15  8  2  0  0  0  0
 16 10  2  0  0  0  0
 17 10  1  0  0  0  0
 18 17  2  0  0  0  0
 19 16  1  0  0  0  0
 20 14  1  0  0  0  0
 21  7  1  0  0  0  0
 22  7  1  0  0  0  0
 23  9  2  0  0  0  0
 24 23  1  0  0  0  0
 25 14  1  0  0  0  0
 26 20  1  0  0  0  0
 27 21  1  0  0  0  0
 28 22  1  0  0  0  0
 29 26  1  0  0  0  0
 30 28  1  0  0  0  0
 13 19  2  0  0  0  0
 30 27  1  0  0  0  0
  9  5  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (3,741)
3741

>  <Formula> (3,741)
C21H23N3O4S2

>  <MolWeight> (3,741)
445.55502

>  <COMPOUND_NAME> (3,741)
WAY-278386

>  <BAR_CODE_NO> (3,741)
389041

$$$$
WAY-643105
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -0.0458    0.6208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4375   -0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4375    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1792   -0.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    1.0333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    0.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1792    2.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6250   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6000    2.3333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833   -1.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7292   -1.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6667    2.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6000    3.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1792    3.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333   -2.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792   -2.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1750   -0.3917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833   -3.1917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208    0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333   -3.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  2  0  0  0  0
  7  3  1  0  0  0  0
  8  4  2  0  0  0  0
  9  7  1  0  0  0  0
 10  8  1  0  0  0  0
 11  4  1  0  0  0  0
 12  7  2  0  0  0  0
 13  9  1  0  0  0  0
 14 12  1  0  0  0  0
 15 16  1  0  0  0  0
 16 11  2  0  0  0  0
 17  8  1  0  0  0  0
 18 15  1  0  0  0  0
 19 17  1  0  0  0  0
 20 18  1  0  0  0  0
  5  6  1  0  0  0  0
 13 14  2  0  0  0  0
 15 10  2  0  0  0  0
M  END
>  <Mol_ID> (3,742)
3742

>  <Formula> (3,742)
C15H13NO2S2

>  <MolWeight> (3,742)
303.39922

>  <COMPOUND_NAME> (3,742)
WAY-643105

>  <BAR_CODE_NO> (3,742)
90477674

$$$$
WAY-278599
csChFnd80/06171916322D

 32 36  0  0  0  0  0  0  0  0999 V2000
   -2.8032    0.0585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4550    0.7102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4274   -0.5760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5446    0.0516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7136    0.7344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8274    1.3378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6826   -0.5656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8032   -1.2242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9274    0.6861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9032   -0.5760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3274    0.0861    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3515    1.3758    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5653    1.3344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3032   -1.1967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5412   -1.2277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5826    0.0965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2032   -0.5346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5312   -0.5242    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8864    0.1240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9071   -1.1518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6347    0.1275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6347   -1.1415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0071   -0.5035    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7347   -0.4967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1968   -0.0139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1243   -1.1415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8347   -0.1725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0243    0.6102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2968    0.2965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4726    1.0896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1174    0.9240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5588    1.4033    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
  6 13  1  0  0  0  0
  7 14  2  0  0  0  0
  8 15  2  0  0  0  0
 11 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  2  0  0  0  0
 25 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 30  2  0  0  0  0
 29 31  2  0  0  0  0
 31 32  1  0  0  0  0
  7 11  1  0  0  0  0
  9 13  2  0  0  0  0
 10 15  1  0  0  0  0
 22 23  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (3,743)
3743

>  <Formula> (3,743)
C25H22ClN3O3

>  <MolWeight> (3,743)
447.91348

>  <COMPOUND_NAME> (3,743)
WAY-278599

>  <BAR_CODE_NO> (3,743)
389254

$$$$
WAY-643737
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.1375    1.5833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208    0.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3917    2.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833   -1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333   -0.7667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0958    3.0458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167    1.3333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6500    1.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9250    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292    0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1792   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1750    2.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6958   -1.7250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333   -2.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3917    3.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1750    3.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5875   -2.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4750   -1.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292   -2.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333   -3.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667   -3.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5 12  1  0  0  0  0
  6  3  1  0  0  0  0
  7  1  2  0  0  0  0
  8  1  2  0  0  0  0
  9  2  1  0  0  0  0
 10  2  1  0  0  0  0
 11  9  1  0  0  0  0
 12 10  1  0  0  0  0
 13  3  2  0  0  0  0
 14  4  2  0  0  0  0
 15  4  1  0  0  0  0
 16  6  1  0  0  0  0
 17 13  1  0  0  0  0
 18 15  1  0  0  0  0
 19 15  2  0  0  0  0
 20 19  1  0  0  0  0
 21 18  2  0  0  0  0
 22 20  2  0  0  0  0
 16 17  2  0  0  0  0
  5 11  1  0  0  0  0
 22 21  1  0  0  0  0
M  END
>  <Mol_ID> (3,744)
3744

>  <Formula> (3,744)
C15H16N2O3S2

>  <MolWeight> (3,744)
336.42914

>  <COMPOUND_NAME> (3,744)
WAY-643737

>  <BAR_CODE_NO> (3,744)
90478309

$$$$
WAY-642407-A
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -2.5208   -3.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0542    0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667    1.0250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667    1.8500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.8000   -2.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0542    2.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1083   -3.8125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9333   -2.3792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3417   -0.6250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2333   -3.5125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3417    1.0250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0542   -0.2125    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.0542    3.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8000   -1.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0875   -3.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3417   -1.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708   -1.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0875   -1.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708   -2.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4792    2.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4792    3.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3417    1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3417    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667   -0.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708    2.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708    3.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 12  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  1  2  0  0  0  0
  8  1  2  0  0  0  0
  9 16  1  0  0  0  0
 10  1  1  0  0  0  0
 11  2  2  0  0  0  0
 12  9  1  0  0  0  0
 13  6  2  0  0  0  0
 14  5  1  0  0  0  0
 15  5  2  0  0  0  0
 16 17  1  0  0  0  0
 17 19  2  0  0  0  0
 18 14  2  0  0  0  0
 19 15  1  0  0  0  0
 20  4  1  0  0  0  0
 21 20  1  0  0  0  0
 22  6  1  0  0  0  0
 23 21  1  0  0  0  0
 24 13  1  0  0  0  0
 25 12  1  0  0  0  0
 26 22  2  0  0  0  0
 27 26  1  0  0  0  0
 18 17  1  0  0  0  0
 23 13  1  0  0  0  0
 27 24  2  0  0  0  0
M  END
>  <Mol_ID> (3,745)
3745

>  <Formula> (3,745)
C20H25N3O3S

>  <MolWeight> (3,745)
387.4958

>  <COMPOUND_NAME> (3,745)
WAY-642407-A

>  <BAR_CODE_NO> (3,745)
90476967

$$$$
WAY-278603-A
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -1.5493    0.3701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3389    0.8252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5493   -0.5403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7596    0.8252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3424    1.7390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1251    0.3735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3424   -0.9989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7665   -0.9955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0266    0.3770    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7596    1.7390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1286    2.2011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9182    0.8252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3458   -1.9127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7596   -1.9058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0300   -0.5437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8162    0.8218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9182    1.7390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5493   -2.3644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8162   -1.0058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6059    0.3735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6059   -0.5368    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3990   -0.9886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1887   -0.5265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9818   -0.9782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1818    0.3770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7714   -0.5230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9680    0.8425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7611    0.3908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
  9 16  1  0  0  0  0
 11 17  1  0  0  0  0
 13 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  2  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 12 17  2  0  0  0  0
 14 18  2  0  0  0  0
 20 21  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <Mol_ID> (3,746)
3746

>  <Formula> (3,746)
C25H26N2O

>  <MolWeight> (3,746)
370.48674

>  <COMPOUND_NAME> (3,746)
WAY-278603-A

>  <BAR_CODE_NO> (3,746)
389261

$$$$
WAY-642433
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.4958    0.3833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0458   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6125    1.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7875   -1.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5708   -3.0792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0875   -2.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958    1.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458   -1.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0875   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000   -2.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000   -3.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458    1.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167    0.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667    0.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8500   -0.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1625    2.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042    3.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9667    2.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5250    2.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4625    3.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667    3.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3 14  1  0  0  0  0
  4  2  1  0  0  0  0
  5  6  1  0  0  0  0
  6  8  1  0  0  0  0
  7 12  1  0  0  0  0
  8  4  2  0  0  0  0
  9  5  1  0  0  0  0
 10  6  2  0  0  0  0
 11 10  1  0  0  0  0
 12  1  1  0  0  0  0
 13  1  1  0  0  0  0
 14 13  1  0  0  0  0
 15  2  2  0  0  0  0
 16  3  1  0  0  0  0
 17  9  1  0  0  0  0
 18 16  2  0  0  0  0
 19 16  1  0  0  0  0
 20 19  2  0  0  0  0
 21 18  1  0  0  0  0
 22 20  1  0  0  0  0
  3  7  2  0  0  0  0
 11  9  2  0  0  0  0
 22 21  2  0  0  0  0
M  END
>  <Mol_ID> (3,747)
3747

>  <Formula> (3,747)
C19H19NO2

>  <MolWeight> (3,747)
293.35966

>  <COMPOUND_NAME> (3,747)
WAY-642433

>  <BAR_CODE_NO> (3,747)
90476993

$$$$
WAY-663350
csChFnd80/06171916322D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -0.6583    2.4583    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542   -2.4542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1708    1.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667   -1.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667   -3.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1708    3.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6125    2.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6208   -2.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6125    2.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6208   -2.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4250    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333   -0.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1250    0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  1  0  0  0  0
  4 13  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  2  0  0  0  0
  8  4  2  0  0  0  0
  9  6  2  0  0  0  0
 10  8  1  0  0  0  0
 11  3  1  0  0  0  0
 12 14  1  0  0  0  0
 13 12  1  0  0  0  0
 14 11  1  0  0  0  0
  9  7  1  0  0  0  0
  5 10  2  0  0  0  0
M  END
>  <Mol_ID> (3,748)
3748

>  <Formula> (3,748)
C11H13NS2

>  <MolWeight> (3,748)
223.35762

>  <COMPOUND_NAME> (3,748)
WAY-663350

>  <BAR_CODE_NO> (3,748)
90498097

$$$$
WAY-623748
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -0.2708    0.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9833   -0.2042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.4500   -0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9833   -1.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708    1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1625    0.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3125   -1.5125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4500    1.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1625    1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6958    0.2083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6458   -1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5708   -2.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958   -2.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6958    1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8792   -0.2042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8792    1.4458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9833    1.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8792    2.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8792   -1.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8  5  2  0  0  0  0
  9  8  1  0  0  0  0
 10  2  1  0  0  0  0
 11  4  2  0  0  0  0
 12  7  1  0  0  0  0
 13 11  1  0  0  0  0
 14 17  1  0  0  0  0
 15  6  1  0  0  0  0
 16  9  1  0  0  0  0
 17  5  1  0  0  0  0
 18 16  1  0  0  0  0
 19 15  1  0  0  0  0
 10 14  1  0  0  0  0
  9  6  2  0  0  0  0
 12 13  2  0  0  0  0
M  END
>  <Mol_ID> (3,749)
3749

>  <Formula> (3,749)
C15H17NO2S

>  <MolWeight> (3,749)
275.36598

>  <COMPOUND_NAME> (3,749)
WAY-623748

>  <BAR_CODE_NO> (3,749)
90457919

$$$$
WAY-641916
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -0.7208   -0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208   -1.9667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333   -0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333   -1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125   -1.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333    0.9208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.9208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4250   -1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125   -2.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125    2.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1417   -2.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125    2.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4250   -3.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1417   -1.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8542   -3.2042    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.1458   -0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1458   -1.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4250    3.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8583   -0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8583   -1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125    4.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4250    4.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  2  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  2  0  0  0  0
  8  3  1  0  0  0  0
  9 14  2  0  0  0  0
 10  5  2  0  0  0  0
 11  5  1  0  0  0  0
 12  8  1  0  0  0  0
 13  8  2  0  0  0  0
 14 16  1  0  0  0  0
 15 18  2  0  0  0  0
 16 17  1  0  0  0  0
 17 11  1  0  0  0  0
 18 13  1  0  0  0  0
 19 12  2  0  0  0  0
 20 15  1  0  0  0  0
 21  6  1  0  0  0  0
 22  7  1  0  0  0  0
 23  9  1  0  0  0  0
 24 14  1  0  0  0  0
 25 21  2  0  0  0  0
 26 25  1  0  0  0  0
 27 28  1  0  0  0  0
 28 24  2  0  0  0  0
  2  3  2  0  0  0  0
 26 22  2  0  0  0  0
 19 15  1  0  0  0  0
 27 23  2  0  0  0  0
M  END
>  <Mol_ID> (3,750)
3750

>  <Formula> (3,750)
C23H18ClN3O

>  <MolWeight> (3,750)
387.86152

>  <COMPOUND_NAME> (3,750)
WAY-641916

>  <BAR_CODE_NO> (3,750)
90476469

$$$$
WAY-641918
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
    0.8792   -1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3042    1.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3042    2.0250    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.5917    2.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5917    0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792   -0.4500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667   -1.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5917   -1.6875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5917    3.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792    1.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9833   -2.9250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5917   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5500   -1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667   -2.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2625   -2.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5500   -2.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2625   -1.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6958   -2.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0167    2.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0167    3.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792    2.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3042    3.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792    3.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4083   -2.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6958   -1.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667    2.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667    3.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4083   -1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1208   -2.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1208   -1.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5 12  1  0  0  0  0
  6  1  1  0  0  0  0
  7  1  1  0  0  0  0
  8  1  2  0  0  0  0
  9  4  2  0  0  0  0
 10  5  2  0  0  0  0
 11 15  1  0  0  0  0
 12  6  1  0  0  0  0
 13  7  1  0  0  0  0
 14  7  2  0  0  0  0
 15 16  2  0  0  0  0
 16 14  1  0  0  0  0
 17 13  2  0  0  0  0
 18 11  1  0  0  0  0
 19  3  1  0  0  0  0
 20 19  1  0  0  0  0
 21  4  1  0  0  0  0
 22 20  1  0  0  0  0
 23  9  1  0  0  0  0
 24 18  2  0  0  0  0
 25 18  1  0  0  0  0
 26 21  2  0  0  0  0
 27 26  1  0  0  0  0
 28 25  2  0  0  0  0
 29 24  1  0  0  0  0
 30 28  1  0  0  0  0
 15 17  1  0  0  0  0
 22  9  1  0  0  0  0
 30 29  2  0  0  0  0
 27 23  2  0  0  0  0
M  END
>  <Mol_ID> (3,751)
3751

>  <Formula> (3,751)
C25H24N2O3

>  <MolWeight> (3,751)
400.46966

>  <COMPOUND_NAME> (3,751)
WAY-641918

>  <BAR_CODE_NO> (3,751)
90476471

$$$$
WAY-642050
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -0.8000   -0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833   -0.3292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833    2.1458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -1.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5125   -0.3292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833    2.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833   -1.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5125   -1.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292    0.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000    0.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -4.0417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -3.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833   -2.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5125   -2.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292    3.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833   -4.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3417    2.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292    4.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292   -4.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833   -5.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3417    4.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0542    3.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0542    4.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3 12  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  2  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  1  0  0  0  0
  9  4  2  0  0  0  0
 10  6  1  0  0  0  0
 11  6  1  0  0  0  0
 12 11  1  0  0  0  0
 13 10  1  0  0  0  0
 14 15  1  0  0  0  0
 15 17  2  0  0  0  0
 16  8  2  0  0  0  0
 17  9  1  0  0  0  0
 18  7  1  0  0  0  0
 19 14  1  0  0  0  0
 20 18  1  0  0  0  0
 21 18  2  0  0  0  0
 22 19  1  0  0  0  0
 23 19  1  0  0  0  0
 24 21  1  0  0  0  0
 25 20  2  0  0  0  0
 26 24  2  0  0  0  0
 16 15  1  0  0  0  0
  3 13  1  0  0  0  0
 26 25  1  0  0  0  0
M  END
>  <Mol_ID> (3,752)
3752

>  <Formula> (3,752)
C22H28N2O2

>  <MolWeight> (3,752)
352.46992

>  <COMPOUND_NAME> (3,752)
WAY-642050

>  <BAR_CODE_NO> (3,752)
90476604

$$$$
WAY-643889
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
    2.7125    1.0750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2875   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2875   -0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5750    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792    1.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0083    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5750   -1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0083   -1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5750    1.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667    1.4875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458    1.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2875   -2.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583    1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0083   -2.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5750   -2.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2875   -3.4625    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7125    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4292    1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1417    1.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4292   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1417    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  5  1  0  0  0  0
  4  3  1  0  0  0  0
  5 10  1  0  0  0  0
  6  2  1  0  0  0  0
  7  2  2  0  0  0  0
  8  3  2  0  0  0  0
  9  4  1  0  0  0  0
 10 17  2  0  0  0  0
 11  4  2  0  0  0  0
 12 16  1  0  0  0  0
 13  6  1  0  0  0  0
 14 13  1  0  0  0  0
 15 18  2  0  0  0  0
 16 14  2  0  0  0  0
 17 14  1  0  0  0  0
 18 11  1  0  0  0  0
 19  9  2  0  0  0  0
 20 15  1  0  0  0  0
 21  1  1  0  0  0  0
 22  1  1  0  0  0  0
 23 22  1  0  0  0  0
 24 21  1  0  0  0  0
 25 23  1  0  0  0  0
 25 24  1  0  0  0  0
  5 12  2  0  0  0  0
 19 15  1  0  0  0  0
M  END
>  <Mol_ID> (3,753)
3753

>  <Formula> (3,753)
C20H20ClNO3

>  <MolWeight> (3,753)
357.8307

>  <COMPOUND_NAME> (3,753)
WAY-643889

>  <BAR_CODE_NO> (3,753)
90478463

$$$$
WAY-642789
csChFnd80/06171916322D

 18 19  0  0  0  0  0  0  0  0999 V2000
    0.2042   -0.0042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542    0.7833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0500   -0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1625    2.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208    2.8458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9875   -0.2542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0958    1.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1625    3.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9417    2.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9417    3.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000   -1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583   -0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5625   -2.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417   -2.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1125   -1.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8208   -3.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2625   -3.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  8  1  0  0  0  0
  5  4  1  0  0  0  0
  6  1  2  0  0  0  0
  7  1  2  0  0  0  0
  8  2  1  0  0  0  0
  9  5  1  0  0  0  0
 10  4  2  0  0  0  0
 11 10  1  0  0  0  0
 12  3  1  0  0  0  0
 13  3  2  0  0  0  0
 14 16  2  0  0  0  0
 15 12  2  0  0  0  0
 16 13  1  0  0  0  0
 17 14  1  0  0  0  0
 18 17  1  0  0  0  0
 15 14  1  0  0  0  0
  9 11  2  0  0  0  0
M  END
>  <Mol_ID> (3,754)
3754

>  <Formula> (3,754)
C12H13NO3S2

>  <MolWeight> (3,754)
283.36652

>  <COMPOUND_NAME> (3,754)
WAY-642789

>  <BAR_CODE_NO> (3,754)
90477352

$$$$
WAY-329648
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
   11.5125   -3.3750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7625   -2.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7500   -1.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3625   -3.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9000   -2.4375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1500   -6.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8125   -1.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0500   -5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5750   -5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8875   -5.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3125   -6.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5750   -7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6250   -6.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9375   -0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7500   -2.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4125   -5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4125   -7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7875   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6250   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8375   -6.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8125   -1.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0000   -0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9375   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8375   -8.5125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.1500   -4.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5750   -3.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  2  0  0  0  0
  5  4  1  0  0  0  0
  6 11  1  0  0  0  0
  7  2  1  0  0  0  0
  8 19  1  0  0  0  0
  9  6  2  0  0  0  0
 10  8  1  0  0  0  0
 11 10  1  0  0  0  0
 12  6  1  0  0  0  0
 13  8  2  0  0  0  0
 14  7  1  0  0  0  0
 15  7  2  0  0  0  0
 16  9  1  0  0  0  0
 17 12  2  0  0  0  0
 18  4  1  0  0  0  0
 19 18  1  0  0  0  0
 20 17  1  0  0  0  0
 21 15  1  0  0  0  0
 22 14  2  0  0  0  0
 23 21  2  0  0  0  0
 24 17  1  0  0  0  0
 25  9  1  0  0  0  0
 26 23  1  0  0  0  0
 27 25  1  0  0  0  0
  3  5  1  0  0  0  0
 22 23  1  0  0  0  0
 16 20  2  0  0  0  0
M  END
>  <Mol_ID> (3,755)
3755

>  <Formula> (3,755)
C20H20BrN3O3

>  <MolWeight> (3,755)
430.2951

>  <COMPOUND_NAME> (3,755)
WAY-329648

>  <BAR_CODE_NO> (3,755)
304649

$$$$
WAY-278459-A
csChFnd80/06171916322D

 15 16  0  0  0  0  0  0  0  0999 V2000
    2.2242    0.4392    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1367   -0.2400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2242   -0.3983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4367   -1.5108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7492   -1.5983    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0508    0.2017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4742   -0.1275    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0300   -0.6483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2758    1.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4633    1.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4633    1.8850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2258   -0.2108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6075   -2.4775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6800    1.5017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6633    0.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  6  1  0  0  0  0
  9  6  2  0  0  0  0
 10 11  2  0  0  0  0
 11  9  1  0  0  0  0
 12  8  2  0  0  0  0
 13  4  1  0  0  0  0
 14 10  1  0  0  0  0
 15 14  1  0  0  0  0
  5  4  1  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <Mol_ID> (3,756)
3756

>  <Formula> (3,756)
C11H12N2OS

>  <MolWeight> (3,756)
220.29078

>  <COMPOUND_NAME> (3,756)
WAY-278459-A

>  <BAR_CODE_NO> (3,756)
389113

$$$$
WAY-616828
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.1458    0.1750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6375   -0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6292   -0.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4000    0.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6375   -0.9042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458   -1.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1500    1.5750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3083    0.4042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4542   -0.4917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4083   -1.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9542   -1.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1042    2.3583    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.2083   -2.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1500   -2.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9583    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6542   -2.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083    2.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4500    2.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083   -3.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5125    2.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8  2  2  0  0  0  0
  9  3  2  0  0  0  0
 10  6  1  0  0  0  0
 11  6  1  0  0  0  0
 12  7  1  0  0  0  0
 13 11  1  0  0  0  0
 14 10  1  0  0  0  0
 15  7  1  0  0  0  0
 16 13  1  0  0  0  0
 17 12  1  0  0  0  0
 18 12  1  0  0  0  0
 19 16  1  0  0  0  0
 20 15  1  0  0  0  0
 21 20  1  0  0  0  0
  6  5  1  0  0  0  0
 18 21  1  0  0  0  0
 16 14  1  0  0  0  0
M  END
>  <Mol_ID> (3,757)
3757

>  <Formula> (3,757)
C16H27N3O2

>  <MolWeight> (3,757)
293.40448

>  <COMPOUND_NAME> (3,757)
WAY-616828

>  <BAR_CODE_NO> (3,757)
90450824

$$$$
WL-341855
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -2.9023    0.6925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6494   -0.5551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6494    1.9455    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1553    1.9455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1553   -0.5551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3965   -0.5551    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6494   -1.8080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3965    1.9455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4082    1.9455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4082   -0.5551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8511   -0.5551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8511    1.9455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6611    0.6925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7279   -0.5551    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9808    0.6925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9808   -1.8080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2337    0.6925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2337   -1.8080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4867   -0.5551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  8 12  2  0  0  0  0
  9 13  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
  6  8  1  0  0  0  0
 10 13  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (3,758)
3758

>  <Formula> (3,758)
C13H21N3O3

>  <MolWeight> (3,758)
267.32414

>  <COMPOUND_NAME> (3,758)
WL-341855

>  <BAR_CODE_NO> (3,758)
90477154

$$$$
WAY-642676
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.5208   -0.3375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208    0.4875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375    0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9500   -0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9500    0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042   -0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6167   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375   -1.5750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375    1.7250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042    0.4875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0500    0.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3375   -0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6708   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6708    0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3375    0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7667    0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0500   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3833   -0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3833    0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7667   -0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  2  2  0  0  0  0
 11  4  2  0  0  0  0
 12  8  2  0  0  0  0
 13 17  1  0  0  0  0
 14  9  1  0  0  0  0
 15  5  1  0  0  0  0
 16  7  1  0  0  0  0
 17 14  2  0  0  0  0
 18 22  1  0  0  0  0
 19 14  1  0  0  0  0
 20 15  2  0  0  0  0
 21 16  2  0  0  0  0
 22 19  2  0  0  0  0
  7  5  2  0  0  0  0
 20 21  1  0  0  0  0
 18 13  2  0  0  0  0
M  END
>  <Mol_ID> (3,759)
3759

>  <Formula> (3,759)
C15H12N4O3

>  <MolWeight> (3,759)
296.28078

>  <COMPOUND_NAME> (3,759)
WAY-642676

>  <BAR_CODE_NO> (3,759)
90477238

$$$$
WAY-623988
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
    2.7292    0.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167    0.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0375   -0.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7583    0.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2375   -0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7583    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5458    0.1083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042    0.3833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5458    1.4375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0333    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9333    0.3833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417   -1.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0458   -0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9417    1.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833   -0.8792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0458    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3333    0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0917   -1.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6333   -0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3333    1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9042   -2.0375    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.4750    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0917   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417   -0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8125   -1.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667   -1.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9125   -0.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1625    0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4 13  1  0  0  0  0
  5 17  1  0  0  0  0
  6 16  1  0  0  0  0
  7  4  1  0  0  0  0
  8  2  1  0  0  0  0
  9  6  1  0  0  0  0
 10  7  1  0  0  0  0
 11  5  1  0  0  0  0
 12  3  1  0  0  0  0
 13 18  2  0  0  0  0
 14  2  2  0  0  0  0
 15  5  2  0  0  0  0
 16 21  2  0  0  0  0
 17  8  1  0  0  0  0
 18 20  1  0  0  0  0
 19 12  2  0  0  0  0
 20 11  1  0  0  0  0
 21 18  1  0  0  0  0
 22 19  1  0  0  0  0
 23  1  1  0  0  0  0
 24  1  1  0  0  0  0
 25  3  2  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 28 24  1  0  0  0  0
 29 23  1  0  0  0  0
 29 28  1  0  0  0  0
 27 19  1  0  0  0  0
  6  4  2  0  0  0  0
 10  9  1  0  0  0  0
M  END
>  <Mol_ID> (3,760)
3760

>  <Formula> (3,760)
C22H22FNO5

>  <MolWeight> (3,760)
399.4121832

>  <COMPOUND_NAME> (3,760)
WAY-623988

>  <BAR_CODE_NO> (3,760)
90458162

$$$$
WAY-643895
csChFnd80/06171916322D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.1542    1.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333    1.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1000    0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4500   -0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1583    1.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9375    1.2958    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9833    1.7083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542    2.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9375    2.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917   -1.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7417   -1.7542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542   -0.1917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917   -2.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6125   -1.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3125   -2.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708   -2.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  5  3  0  0  0  0
  8  2  1  0  0  0  0
  9  6  1  0  0  0  0
 10  4  1  0  0  0  0
 11 10  2  0  0  0  0
 12  4  2  0  0  0  0
 13 11  1  0  0  0  0
 14 10  1  0  0  0  0
 15 16  1  0  0  0  0
 16 14  2  0  0  0  0
  8  9  2  0  0  0  0
 15 13  2  0  0  0  0
M  END
>  <Mol_ID> (3,761)
3761

>  <Formula> (3,761)
C11H7N3OS

>  <MolWeight> (3,761)
229.25778

>  <COMPOUND_NAME> (3,761)
WAY-643895

>  <BAR_CODE_NO> (3,761)
90478469

$$$$
WAY-278371
csChFnd80/06171916322D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -0.3901    0.0174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9970    0.4623    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3237    0.2554    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6176   -0.6964    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6107    0.0174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6548   -0.2619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3763   -0.6964    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3176    0.2554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5893   -0.0170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6755   -1.0067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4728    0.9933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8763   -0.2446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8272    0.6968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2030   -0.4550    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5824    0.6968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8030   -0.0170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  2  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  2  0  0  0  0
  9 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
  5  7  2  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <Mol_ID> (3,762)
3762

>  <Formula> (3,762)
C10H11N3OS2

>  <MolWeight> (3,762)
253.34384

>  <COMPOUND_NAME> (3,762)
WAY-278371

>  <BAR_CODE_NO> (3,762)
389026

$$$$
WAY-333305
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
    4.1443    2.1616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9579    3.2893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5522    0.8202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3648    3.1388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4289    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7418    2.1616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2990    0.8267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1871    4.2709    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4039    4.5762    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9319    1.8628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8492    6.5415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8937    0.3795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5766    4.1204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6200    5.5338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8082    3.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292    0.5410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4076    5.2393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4489    6.6702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4253    2.9098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  2  0  0  0  0
  8  4  1  0  0  0  0
  9  2  2  0  0  0  0
 10  4  2  0  0  0  0
 11 18  1  0  0  0  0
 12  3  1  0  0  0  0
 13  8  1  0  0  0  0
 14  8  1  0  0  0  0
 15  6  1  0  0  0  0
 16  7  1  0  0  0  0
 17 13  1  0  0  0  0
 18 14  1  0  0  0  0
 19 15  2  0  0  0  0
 20 19  1  0  0  0  0
  5  7  1  0  0  0  0
 16 20  2  0  0  0  0
 17 11  1  0  0  0  0
M  END
>  <Mol_ID> (3,763)
3763

>  <Formula> (3,763)
C15H16N2O3

>  <MolWeight> (3,763)
272.29914

>  <COMPOUND_NAME> (3,763)
WAY-333305

>  <BAR_CODE_NO> (3,763)
308306

$$$$
WAY-624587
csChFnd80/06171916322D

 31 33  0  0  0  0  0  0  0  0999 V2000
    4.1000   -0.6042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0458   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3333   -0.1917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0458    1.0458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3333    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7583   -0.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7583    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3875   -0.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8167   -1.0167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6875   -1.3250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5125    0.1083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2417    1.0458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0458   -1.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6208    1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9000    0.6333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292   -0.1917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1875    1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6667   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3875    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9542    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9542   -0.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6667    1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4750   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4750    1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5292   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8167   -1.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9000   -0.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1875   -0.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6208   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1875    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  5  1  0  0  0  0
  4  5  2  0  0  0  0
  5 15  1  0  0  0  0
  6  7  2  0  0  0  0
  7  4  1  0  0  0  0
  8  1  1  0  0  0  0
  9  1  1  0  0  0  0
 10 13  1  0  0  0  0
 11  1  2  0  0  0  0
 12  1  2  0  0  0  0
 13 21  1  0  0  0  0
 14  2  2  0  0  0  0
 15 16  1  0  0  0  0
 16 18  1  0  0  0  0
 17 10  2  0  0  0  0
 18 10  1  0  0  0  0
 19  8  1  0  0  0  0
 20  8  2  0  0  0  0
 21 23  2  0  0  0  0
 22 19  2  0  0  0  0
 23 20  1  0  0  0  0
 24  6  1  0  0  0  0
 25  7  1  0  0  0  0
 26  9  1  0  0  0  0
 27  9  1  0  0  0  0
 28 16  1  0  0  0  0
 29 31  1  0  0  0  0
 30 28  1  0  0  0  0
 31 25  2  0  0  0  0
 22 21  1  0  0  0  0
  6  2  1  0  0  0  0
 24 29  2  0  0  0  0
M  END
>  <Mol_ID> (3,764)
3764

>  <Formula> (3,764)
C21H25N5O4S

>  <MolWeight> (3,764)
443.5193

>  <COMPOUND_NAME> (3,764)
WAY-624587

>  <BAR_CODE_NO> (3,764)
90458763

$$$$
WAY-663234
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
    0.2542    1.6333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2250    0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0417    1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542    0.2958    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.0417    0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042   -0.4917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083   -2.0542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7625   -2.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    2.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0500    0.9625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7042    1.8583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8083   -0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3000   -1.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0583   -1.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5708   -3.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542    3.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1208   -2.4042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083   -3.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8250   -3.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3625    2.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3000    3.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4708   -4.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708   -4.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542    4.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9125    3.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542    4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  7 15  1  0  0  0  0
  8  7  1  0  0  0  0
  9  1  1  0  0  0  0
 10  2  2  0  0  0  0
 11  3  2  0  0  0  0
 12  6  1  0  0  0  0
 13  6  1  0  0  0  0
 14 12  1  0  0  0  0
 15 13  1  0  0  0  0
 16  8  2  0  0  0  0
 17  9  1  0  0  0  0
 18 16  1  0  0  0  0
 19  8  1  0  0  0  0
 20 16  1  0  0  0  0
 21 17  1  0  0  0  0
 22 17  2  0  0  0  0
 23 19  2  0  0  0  0
 24 23  1  0  0  0  0
 25 22  1  0  0  0  0
 26 21  2  0  0  0  0
 27 25  2  0  0  0  0
  5  4  1  0  0  0  0
 27 26  1  0  0  0  0
 14  7  1  0  0  0  0
 24 20  2  0  0  0  0
M  END
>  <Mol_ID> (3,765)
3765

>  <Formula> (3,765)
C21H23N3O3

>  <MolWeight> (3,765)
365.42562

>  <COMPOUND_NAME> (3,765)
WAY-663234

>  <BAR_CODE_NO> (3,765)
90497981

$$$$
WAY-278761
csChFnd80/06171916322D

 23 24  0  0  0  0  0  0  0  0999 V2000
   -1.0458   -0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8000   -0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1000    1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792    1.9125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8000    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1000    1.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3458    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0458   -1.6042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5833    1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792    3.6708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833   -0.2875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3458    2.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5833    1.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8625    0.5958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8625    2.3708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792    1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833    2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833    3.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    3.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6208    1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6208    1.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  7  2  0  0  0  0
  4 17  1  0  0  0  0
  5  2  2  0  0  0  0
  6 12  2  0  0  0  0
  7  9  1  0  0  0  0
  8  1  2  0  0  0  0
  9  5  1  0  0  0  0
 10 21  1  0  0  0  0
 11  1  1  0  0  0  0
 12 13  1  0  0  0  0
 13  9  2  0  0  0  0
 14  3  1  0  0  0  0
 15  6  1  0  0  0  0
 16 11  1  0  0  0  0
 17 16  1  0  0  0  0
 18  4  1  0  0  0  0
 19  4  1  0  0  0  0
 20 18  1  0  0  0  0
 21 19  1  0  0  0  0
 22 14  1  0  0  0  0
 23 15  1  0  0  0  0
 20 10  1  0  0  0  0
  3  6  1  0  0  0  0
M  END
>  <Mol_ID> (3,766)
3766

>  <Formula> (3,766)
C17H24N2O4

>  <MolWeight> (3,766)
320.38346

>  <COMPOUND_NAME> (3,766)
WAY-278761

>  <BAR_CODE_NO> (3,766)
389416

$$$$
WAY-642658
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    2.0417   -0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8667   -0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3500   -1.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6292    0.1333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3500    0.0833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.1375   -0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6292   -1.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1375   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8042    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6708    0.1333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0833    0.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3917    0.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3917   -0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333   -0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333    0.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9083    0.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0917   -2.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3208    1.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3208    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1458    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1458    1.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5583    0.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  5  1  0  0  0  0
  7  1  2  0  0  0  0
  8  3  1  0  0  0  0
  9  4  1  0  0  0  0
 10 11  1  0  0  0  0
 11 15  2  0  0  0  0
 12 10  1  0  0  0  0
 13  9  1  0  0  0  0
 14  9  2  0  0  0  0
 15 14  1  0  0  0  0
 16 13  2  0  0  0  0
 17 12  1  0  0  0  0
 18  3  1  0  0  0  0
 19 17  1  0  0  0  0
 20 17  2  0  0  0  0
 21 20  1  0  0  0  0
 22 19  2  0  0  0  0
 23 21  2  0  0  0  0
  6  8  2  0  0  0  0
 11 16  1  0  0  0  0
 23 22  1  0  0  0  0
M  END
>  <Mol_ID> (3,767)
3767

>  <Formula> (3,767)
C19H17NO2S

>  <MolWeight> (3,767)
323.40878

>  <COMPOUND_NAME> (3,767)
WAY-642658

>  <BAR_CODE_NO> (3,767)
90477220

$$$$
WAY-642660
csChFnd80/06171916322D

 28 30  0  0  0  0  0  0  0  0999 V2000
   -0.3583   -0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792   -0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542   -0.1750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -0.5875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667   -0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9333   -0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2125   -0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0750   -0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583   -1.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792    0.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9292   -0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2208   -0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9333    0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7875   -0.5875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2208    1.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5083   -0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6417   -0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5083    0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3542   -0.5875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542    0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9292    1.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2125    0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6458   -0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6417    0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6458    1.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0667   -0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3625   -0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3625    0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6 12  1  0  0  0  0
  7  4  1  0  0  0  0
  8  1  1  0  0  0  0
  9  1  2  0  0  0  0
 10  2  2  0  0  0  0
 11  7  1  0  0  0  0
 12 16  2  0  0  0  0
 13 15  1  0  0  0  0
 14  8  1  0  0  0  0
 15 18  2  0  0  0  0
 16 14  1  0  0  0  0
 17 11  2  0  0  0  0
 18 16  1  0  0  0  0
 19 17  1  0  0  0  0
 20  3  1  0  0  0  0
 21 22  1  0  0  0  0
 22  7  2  0  0  0  0
 23  6  1  0  0  0  0
 24 21  2  0  0  0  0
 25 13  1  0  0  0  0
 26 19  1  0  0  0  0
 27 23  2  0  0  0  0
 28 25  2  0  0  0  0
 13  6  2  0  0  0  0
 27 28  1  0  0  0  0
 24 17  1  0  0  0  0
M  END
>  <Mol_ID> (3,768)
3768

>  <Formula> (3,768)
C22H22N2O4

>  <MolWeight> (3,768)
378.42108

>  <COMPOUND_NAME> (3,768)
WAY-642660

>  <BAR_CODE_NO> (3,768)
90477222

$$$$
WAY-278559-A
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -1.2421    1.1915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2421    0.1811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3765    1.6984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1007    1.6984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3765   -0.3154    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1007   -0.3154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4993    1.1915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3765    2.6915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9662    1.1915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4993    0.1880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9662    0.1880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3579   -0.3154    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8628   -0.2913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2269    0.1880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3579   -1.3120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7110    0.2259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1028   -0.2913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2166   -1.8085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1028   -1.3120    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9786   -1.8258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9786   -2.8465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (3,769)
3769

>  <Formula> (3,769)
C17H23N3O

>  <MolWeight> (3,769)
285.38402

>  <COMPOUND_NAME> (3,769)
WAY-278559-A

>  <BAR_CODE_NO> (3,769)
389214

$$$$
WAY-616632
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -1.2125    0.7875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6958    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6958    1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0875   -0.6417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3875    0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4792    0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4792    1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0250    0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9125   -0.6417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2625   -0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8500    0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0875   -1.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0875    0.1833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4417   -0.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4417    2.2417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1958   -0.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0250    1.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3875   -0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8500   -1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0250   -1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5625   -0.6417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3250   -1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3250    0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1958    1.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1958   -0.8625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1500    0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1500   -1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9083    1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9083    0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833   -0.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4 10  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  5  1  0  0  0  0
  9  4  1  0  0  0  0
 10 11  2  0  0  0  0
 11  8  1  0  0  0  0
 12  4  2  0  0  0  0
 13  4  2  0  0  0  0
 14  2  2  0  0  0  0
 15  3  2  0  0  0  0
 16  6  1  0  0  0  0
 17  5  2  0  0  0  0
 18  8  2  0  0  0  0
 19 20  2  0  0  0  0
 20 18  1  0  0  0  0
 21 26  1  0  0  0  0
 22  9  1  0  0  0  0
 23  9  1  0  0  0  0
 24  7  1  0  0  0  0
 25 16  1  0  0  0  0
 26 23  1  0  0  0  0
 27 22  1  0  0  0  0
 28 24  2  0  0  0  0
 29 16  2  0  0  0  0
 30 18  1  0  0  0  0
  7  6  2  0  0  0  0
 28 29  1  0  0  0  0
 19 10  1  0  0  0  0
 27 21  1  0  0  0  0
M  END
>  <Mol_ID> (3,770)
3770

>  <Formula> (3,770)
C20H19N3O6S

>  <MolWeight> (3,770)
429.44636

>  <COMPOUND_NAME> (3,770)
WAY-616632

>  <BAR_CODE_NO> (3,770)
90450624

$$$$
WAY-624885
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -3.3125   -0.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0333    0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0333   -1.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7458   -0.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9750   -0.7250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3125    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7458    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4042    0.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542   -1.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6000   -1.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1167    0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6000    0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6875   -1.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9750    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4042   -0.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6875    0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4583   -1.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583   -0.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542   -1.9625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8833   -0.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8292    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1167    1.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708   -1.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8833    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5417    1.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5417    0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8292    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0333    1.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2625    1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2625    2.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  6  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  9  1  0  0  0  0
  6  1  2  0  0  0  0
  7  2  2  0  0  0  0
  8 16  1  0  0  0  0
  9 18  1  0  0  0  0
 10  1  1  0  0  0  0
 11  8  1  0  0  0  0
 12  6  1  0  0  0  0
 13  5  1  0  0  0  0
 14  5  1  0  0  0  0
 15 13  1  0  0  0  0
 16 14  1  0  0  0  0
 17  4  2  0  0  0  0
 18 23  1  0  0  0  0
 19  9  2  0  0  0  0
 20 10  2  0  0  0  0
 21 11  2  0  0  0  0
 22 11  1  0  0  0  0
 23 20  1  0  0  0  0
 24 20  1  0  0  0  0
 25 27  1  0  0  0  0
 26 21  1  0  0  0  0
 27 22  2  0  0  0  0
 28  2  1  0  0  0  0
 29 25  1  0  0  0  0
 30 29  1  0  0  0  0
 12 24  2  0  0  0  0
  4  7  1  0  0  0  0
  8 15  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <Mol_ID> (3,771)
3771

>  <Formula> (3,771)
C23H24N2O5

>  <MolWeight> (3,771)
408.44706

>  <COMPOUND_NAME> (3,771)
WAY-624885

>  <BAR_CODE_NO> (3,771)
90459065

$$$$
WAY-642481
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.4458   -0.8042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1583   -1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1583    0.4333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8750   -0.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8750    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667    0.4333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1583   -2.0417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667   -1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7000    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5875   -1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1292    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7000    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4125    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4125    1.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1292    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5875    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8417    1.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3083   -0.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3083    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  2  0  0  0  0
  7  2  1  0  0  0  0
  8  3  2  0  0  0  0
  9  1  1  0  0  0  0
 10  7  1  0  0  0  0
 11 10  1  0  0  0  0
 12  5  1  0  0  0  0
 13 17  2  0  0  0  0
 14 11  1  0  0  0  0
 15 11  2  0  0  0  0
 16 14  2  0  0  0  0
 17 15  1  0  0  0  0
 18  6  1  0  0  0  0
 19 13  1  0  0  0  0
 20 12  2  0  0  0  0
 21 20  1  0  0  0  0
  6  4  1  0  0  0  0
 18 21  2  0  0  0  0
 16 13  1  0  0  0  0
M  END
>  <Mol_ID> (3,772)
3772

>  <Formula> (3,772)
C17H16N2OS

>  <MolWeight> (3,772)
296.38674

>  <COMPOUND_NAME> (3,772)
WAY-642481

>  <BAR_CODE_NO> (3,772)
90477041

$$$$
WAY-329251
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -0.9458   12.3417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458   14.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1792   11.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2750   12.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667   16.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2750   14.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3667   11.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3542   15.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0125   15.9750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1792    8.7542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2667   12.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3625   11.1542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2667   14.7625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0125   11.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4417   14.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4542   12.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3625    8.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2417    7.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5375   16.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -5.1333    5.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2667    5.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1542    8.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2167    3.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0958    7.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0958   12.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1792   11.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0375    3.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  4  2  0  0  0  0
  8  6  2  0  0  0  0
  9  2  2  0  0  0  0
 10  3  2  0  0  0  0
 11 26  1  0  0  0  0
 12 11  1  0  0  0  0
 13 11  2  0  0  0  0
 14  1  1  0  0  0  0
 15 16  2  0  0  0  0
 16  7  1  0  0  0  0
 17 12  1  0  0  0  0
 18 17  1  0  0  0  0
 19 15  1  0  0  0  0
 20 24  2  0  0  0  0
 21 18  1  0  0  0  0
 22 18  2  0  0  0  0
 23 21  2  0  0  0  0
 24 22  1  0  0  0  0
 25 14  1  0  0  0  0
 26 25  1  0  0  0  0
 27 20  1  0  0  0  0
  6  5  1  0  0  0  0
  8 15  1  0  0  0  0
 23 20  1  0  0  0  0
M  END
>  <Mol_ID> (3,773)
3773

>  <Formula> (3,773)
C20H20ClN3O3

>  <MolWeight> (3,773)
385.8441

>  <COMPOUND_NAME> (3,773)
WAY-329251

>  <BAR_CODE_NO> (3,773)
304252

$$$$
WAY-616963
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
    1.9928   -0.1246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5652    1.2340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2100   -0.3764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1411   -1.0281    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1313    1.9719    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4445    2.1133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0859    0.5857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5756   -1.5660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5100   -2.2453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0555    1.2340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6618    1.8305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7273   -2.5005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3382   -0.0660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0486    2.1409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6141   -0.4626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9417   -1.6522    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -4.2934    1.7719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6037    0.4443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1313   -1.9350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7555   -1.3695    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  8 12  2  0  0  0  0
 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  2  0  0  0  0
 16 19  2  0  0  0  0
 16 20  1  0  0  0  0
  7 11  2  0  0  0  0
  9 12  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (3,774)
3774

>  <Formula> (3,774)
C15H10N2O3

>  <MolWeight> (3,774)
266.2515

>  <COMPOUND_NAME> (3,774)
WAY-616963

>  <BAR_CODE_NO> (3,774)
90450964

$$$$
WAY-624064
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
    1.7167   -0.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2292    0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042    1.0208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7167    1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4625   -0.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542   -1.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000   -1.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7083   -0.5750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4083   -1.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9583   -1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1667   -0.2917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042    0.6083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042   -0.4042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2583    0.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3583    1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9125    1.8833    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2042    1.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292    1.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0625   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000    0.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6125    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5500    1.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6625   -2.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7625   -1.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292    2.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7167    2.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4708   -2.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0208   -2.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9 11  1  0  0  0  0
 10  8  1  0  0  0  0
 11 10  2  0  0  0  0
 12  2  2  0  0  0  0
 13  3  2  0  0  0  0
 14  7  2  0  0  0  0
 15  9  1  0  0  0  0
 16 23  2  0  0  0  0
 17 16  1  0  0  0  0
 18  5  1  0  0  0  0
 19  5  1  0  0  0  0
 20 15  1  0  0  0  0
 21 15  2  0  0  0  0
 22 20  2  0  0  0  0
 23 21  1  0  0  0  0
 24 10  1  0  0  0  0
 25 11  1  0  0  0  0
 26 19  1  0  0  0  0
 27 18  1  0  0  0  0
 28 24  2  0  0  0  0
 29 28  1  0  0  0  0
  5  4  1  0  0  0  0
 26 27  1  0  0  0  0
 29 25  2  0  0  0  0
 22 16  1  0  0  0  0
M  END
>  <Mol_ID> (3,775)
3775

>  <Formula> (3,775)
C21H20ClN3O3S

>  <MolWeight> (3,775)
429.9198

>  <COMPOUND_NAME> (3,775)
WAY-624064

>  <BAR_CODE_NO> (3,775)
90458238

$$$$
WAY-663387
csChFnd80/06171916322D

 14 15  0  0  0  0  0  0  0  0999 V2000
    0.4792    1.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667    0.5125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042    1.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0250    0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0250    1.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708   -1.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792   -0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583    0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583   -0.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667    1.9458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583   -2.3417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708   -0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667   -0.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9958   -1.6292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  3  1  0  0  0  0
  6  9  1  0  0  0  0
  7  2  1  0  0  0  0
  8  2  1  0  0  0  0
  9 12  1  0  0  0  0
 10  1  2  0  0  0  0
 11  6  2  0  0  0  0
 12  8  1  0  0  0  0
 13  7  1  0  0  0  0
 14  6  1  0  0  0  0
  5  4  1  0  0  0  0
 13  9  1  0  0  0  0
M  END
>  <Mol_ID> (3,776)
3776

>  <Formula> (3,776)
C10H15NO3

>  <MolWeight> (3,776)
197.231

>  <COMPOUND_NAME> (3,776)
WAY-663387

>  <BAR_CODE_NO> (3,776)
90498134

$$$$
WAY-643632-A
csChFnd80/06171916322D

 15 16  0  0  0  0  0  0  0  0999 V2000
    3.7917    0.7208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3625   -0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0750   -0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0750    0.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3625   -1.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.5167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0750   -2.1667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3625    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -2.1667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5042    0.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7917    1.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5042    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2167    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2167    1.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6 10  1  0  0  0  0
  7  5  2  0  0  0  0
  8  4  1  0  0  0  0
  9  5  1  0  0  0  0
 10  8  2  0  0  0  0
 11  1  1  0  0  0  0
 12  1  1  0  0  0  0
 13 12  1  0  0  0  0
 14 11  1  0  0  0  0
 15 14  1  0  0  0  0
 13 15  1  0  0  0  0
  6  2  2  0  0  0  0
M  END
>  <Mol_ID> (3,777)
3777

>  <Formula> (3,777)
C11H14N2O2

>  <MolWeight> (3,777)
206.24106

>  <COMPOUND_NAME> (3,777)
WAY-643632-A

>  <BAR_CODE_NO> (3,777)
90478204

$$$$
WAY-329011
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    2.0167   -7.5417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917   -5.8667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.9500   -4.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5750   -8.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917   -3.0792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8542   -5.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542   -8.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6917   -6.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583   -5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9375   -9.8917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542  -10.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417   -1.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1292   -4.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542  -13.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083  -10.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0292  -10.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0292  -12.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083  -12.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542  -15.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042   -0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6125   -2.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3333    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4625   -0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  4  1  0  0  0  0
  9  3  2  0  0  0  0
 10  4  2  0  0  0  0
 11  7  1  0  0  0  0
 12  5  1  0  0  0  0
 13  2  1  0  0  0  0
 14 17  2  0  0  0  0
 15 11  1  0  0  0  0
 16 11  2  0  0  0  0
 17 16  1  0  0  0  0
 18 15  2  0  0  0  0
 19 14  1  0  0  0  0
 20 12  1  0  0  0  0
 21 12  1  0  0  0  0
 22 19  1  0  0  0  0
 23 20  1  0  0  0  0
 24 21  1  0  0  0  0
  8  6  1  0  0  0  0
 14 18  1  0  0  0  0
 24 23  1  0  0  0  0
M  END
>  <Mol_ID> (3,778)
3778

>  <Formula> (3,778)
C20H28N2O2

>  <MolWeight> (3,778)
328.44852

>  <COMPOUND_NAME> (3,778)
WAY-329011

>  <BAR_CODE_NO> (3,778)
304012

$$$$
WAY-334013
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -3.3208    3.3833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0500    3.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1458    2.4958    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9583    2.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8750    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4583    2.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3333    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    3.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333    1.0833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708    1.8583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0375   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0750    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2083    2.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4958   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5250    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2375   -0.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3750    4.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2958    3.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7000   -1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9083    5.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8208    4.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6333    4.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5 10  1  0  0  0  0
  6  4  2  0  0  0  0
  7  5  1  0  0  0  0
  8  2  1  0  0  0  0
  9  5  2  0  0  0  0
 10 14  1  0  0  0  0
 11  7  1  0  0  0  0
 12  7  2  0  0  0  0
 13  4  1  0  0  0  0
 14 13  1  0  0  0  0
 15 11  2  0  0  0  0
 16 12  1  0  0  0  0
 17 16  2  0  0  0  0
 18  8  2  0  0  0  0
 19  8  1  0  0  0  0
 20 17  1  0  0  0  0
 21 18  1  0  0  0  0
 22 19  2  0  0  0  0
 23 22  1  0  0  0  0
  6  3  1  0  0  0  0
 23 21  2  0  0  0  0
 17 15  1  0  0  0  0
M  END
>  <Mol_ID> (3,779)
3779

>  <Formula> (3,779)
C19H18N2OS

>  <MolWeight> (3,779)
322.42402

>  <COMPOUND_NAME> (3,779)
WAY-334013

>  <BAR_CODE_NO> (3,779)
309014

$$$$
WAY-334002
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -3.3208    3.3833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0500    3.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1458    2.4958    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9583    2.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8750    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4583    2.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3333    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    3.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333    1.0833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708    1.8583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0375   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0750    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2083    2.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2375   -0.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4958   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5250    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7000   -1.2167    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -5.2958    3.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3750    4.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9083    5.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8208    4.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6333    4.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5 10  1  0  0  0  0
  6  4  2  0  0  0  0
  7  5  1  0  0  0  0
  8  2  1  0  0  0  0
  9  5  2  0  0  0  0
 10 15  1  0  0  0  0
 11  7  1  0  0  0  0
 12  7  2  0  0  0  0
 13  4  1  0  0  0  0
 14 17  2  0  0  0  0
 15 13  1  0  0  0  0
 16 11  2  0  0  0  0
 17 12  1  0  0  0  0
 18 14  1  0  0  0  0
 19  8  1  0  0  0  0
 20  8  2  0  0  0  0
 21 20  1  0  0  0  0
 22 19  2  0  0  0  0
 23 21  2  0  0  0  0
  6  3  1  0  0  0  0
 23 22  1  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <Mol_ID> (3,780)
3780

>  <Formula> (3,780)
C18H15ClN2OS

>  <MolWeight> (3,780)
342.8425

>  <COMPOUND_NAME> (3,780)
WAY-334002

>  <BAR_CODE_NO> (3,780)
309003

$$$$
WAY-334014
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -3.3208    3.3833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0500    3.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1458    2.4958    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9583    2.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8750    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4583    2.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3333    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    3.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0750    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333    1.0833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708    1.8583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2083    2.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5250    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0375   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4958   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2958    3.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3750    4.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2375   -0.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2750    0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9083    5.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8208    4.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6333    4.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5 11  1  0  0  0  0
  6  4  2  0  0  0  0
  7  5  1  0  0  0  0
  8  2  1  0  0  0  0
  9  7  2  0  0  0  0
 10  5  2  0  0  0  0
 11 14  1  0  0  0  0
 12  4  1  0  0  0  0
 13  9  1  0  0  0  0
 14 12  1  0  0  0  0
 15  7  1  0  0  0  0
 16 15  2  0  0  0  0
 17  8  1  0  0  0  0
 18  8  2  0  0  0  0
 19 16  1  0  0  0  0
 20 13  1  0  0  0  0
 21 18  1  0  0  0  0
 22 17  2  0  0  0  0
 23 21  2  0  0  0  0
  6  3  1  0  0  0  0
 23 22  1  0  0  0  0
 19 13  2  0  0  0  0
M  END
>  <Mol_ID> (3,781)
3781

>  <Formula> (3,781)
C19H18N2OS

>  <MolWeight> (3,781)
322.42402

>  <COMPOUND_NAME> (3,781)
WAY-334014

>  <BAR_CODE_NO> (3,781)
309015

$$$$
WAY-334012
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -3.3208    3.3833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0500    3.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1458    2.4958    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9583    2.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8750    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4583    2.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3333    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    3.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333    1.0833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708    1.8583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0375   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0750    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2083    2.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2375   -0.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4958   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5250    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7000   -1.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2958    3.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3750    4.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4458   -1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8208    4.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9083    5.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6333    4.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5 10  1  0  0  0  0
  6  4  2  0  0  0  0
  7  5  1  0  0  0  0
  8  2  1  0  0  0  0
  9  5  2  0  0  0  0
 10 15  1  0  0  0  0
 11  7  1  0  0  0  0
 12  7  2  0  0  0  0
 13  4  1  0  0  0  0
 14 17  2  0  0  0  0
 15 13  1  0  0  0  0
 16 11  2  0  0  0  0
 17 12  1  0  0  0  0
 18 14  1  0  0  0  0
 19  8  1  0  0  0  0
 20  8  2  0  0  0  0
 21 18  1  0  0  0  0
 22 19  2  0  0  0  0
 23 20  1  0  0  0  0
 24 23  2  0  0  0  0
  6  3  1  0  0  0  0
 24 22  1  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <Mol_ID> (3,782)
3782

>  <Formula> (3,782)
C19H18N2O2S

>  <MolWeight> (3,782)
338.42342

>  <COMPOUND_NAME> (3,782)
WAY-334012

>  <BAR_CODE_NO> (3,782)
309013

$$$$
WAY-663353
csChFnd80/06171916322D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.3170   -0.2377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4136   -0.8688    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3170    1.0416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7899   -0.8688    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4136   -2.1481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4136   -0.0826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7899    1.6761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8933   -0.2377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4136   -2.9377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6515   -0.3653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8933    1.0416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6515   -2.6584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1964   -1.5067    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9899    1.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9933    2.2623    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2036    2.9968    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2347    1.2105    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
  8 11  2  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <Mol_ID> (3,783)
3783

>  <Formula> (3,783)
C11H14F3N3

>  <MolWeight> (3,783)
245.2441696

>  <COMPOUND_NAME> (3,783)
WAY-663353

>  <BAR_CODE_NO> (3,783)
90498100

$$$$
WAY-278399
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -1.2625   -0.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458   -0.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3458   -0.9167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458   -0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4208    0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8000   -1.7000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1458   -0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5833    1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5375   -0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0375    1.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4625    1.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9167    1.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4375   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6167    0.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1625    0.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5375    1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0625    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  2  0  0  0  0
  8  5  1  0  0  0  0
  9  6  1  0  0  0  0
 10  6  2  0  0  0  0
 11  8  2  0  0  0  0
 12  8  1  0  0  0  0
 13 10  1  0  0  0  0
 14 12  2  0  0  0  0
 15 11  1  0  0  0  0
 16  9  2  0  0  0  0
 17 14  1  0  0  0  0
 18 13  2  0  0  0  0
 19 17  1  0  0  0  0
 20 18  1  0  0  0  0
  5  4  2  0  0  0  0
 16 18  1  0  0  0  0
 17 15  2  0  0  0  0
M  END
>  <Mol_ID> (3,784)
3784

>  <Formula> (3,784)
C17H16N2S

>  <MolWeight> (3,784)
280.38734

>  <COMPOUND_NAME> (3,784)
WAY-278399

>  <BAR_CODE_NO> (3,784)
389054

$$$$
WAY-642026
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.8792    0.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667   -0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5625   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6167    0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8875   -0.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9375   -0.8792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2500   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042   -0.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833   -0.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3583    0.5333    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4833    0.4875    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458   -0.7375    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333   -1.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8208   -2.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0375   -1.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6417    0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9500    1.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292    1.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833    0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208    1.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  7  1  0  0  0  0
  6  2  1  0  0  0  0
  7 11  2  0  0  0  0
  8  1  1  0  0  0  0
  9  2  2  0  0  0  0
 10  6  1  0  0  0  0
 11 10  1  0  0  0  0
 12  5  1  0  0  0  0
 13  5  1  0  0  0  0
 14  5  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 10  2  0  0  0  0
 18  8  2  0  0  0  0
 19  8  1  0  0  0  0
 20 19  2  0  0  0  0
 21 18  1  0  0  0  0
 22 20  1  0  0  0  0
  4  3  1  0  0  0  0
 22 21  2  0  0  0  0
 15  7  1  0  0  0  0
M  END
>  <Mol_ID> (3,785)
3785

>  <Formula> (3,785)
C17H14F3NO

>  <MolWeight> (3,785)
305.2943696

>  <COMPOUND_NAME> (3,785)
WAY-642026

>  <BAR_CODE_NO> (3,785)
90476580

$$$$
WAY-643251
csChFnd80/06171916322D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -1.0958   -3.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750    0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958   -2.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958   -0.2292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750   -3.9417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3375   -0.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750   -2.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8083   -2.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8083   -3.9417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958   -1.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8083   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3375    1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0542    2.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3375    2.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667    2.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0542    3.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667    3.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4792    2.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4792    3.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  1  0  0  0  0
  4 10  1  0  0  0  0
  5  1  2  0  0  0  0
  6  2  2  0  0  0  0
  7  3  1  0  0  0  0
  8  3  2  0  0  0  0
  9  1  1  0  0  0  0
 10 11  2  0  0  0  0
 11  8  1  0  0  0  0
 12  7  2  0  0  0  0
 13  2  1  0  0  0  0
 14 13  1  0  0  0  0
 15 16  1  0  0  0  0
 16 14  1  0  0  0  0
 17 15  1  0  0  0  0
 18 15  1  0  0  0  0
 19 18  1  0  0  0  0
 20 17  1  0  0  0  0
 21 19  1  0  0  0  0
 10 12  1  0  0  0  0
 21 20  1  0  0  0  0
M  END
>  <Mol_ID> (3,786)
3786

>  <Formula> (3,786)
C17H24N2O2

>  <MolWeight> (3,786)
288.38466

>  <COMPOUND_NAME> (3,786)
WAY-643251

>  <BAR_CODE_NO> (3,786)
90477822

$$$$
WAY-616361
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.9958   -2.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833   -2.1667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958   -0.9292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7125   -2.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833   -1.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7125   -1.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1458    0.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958   -3.4042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1458    1.1333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1458    2.7833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8625   -0.1042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4333   -0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8625    2.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4333   -0.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8625    1.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4250   -2.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4250   -0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1458    3.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5750    2.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1375   -2.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1375   -1.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8625    4.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5750    3.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  6  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  2  0  0  0  0
  7 14  1  0  0  0  0
  8  1  2  0  0  0  0
  9  7  1  0  0  0  0
 10 13  2  0  0  0  0
 11  7  2  0  0  0  0
 12  5  1  0  0  0  0
 13 15  1  0  0  0  0
 14 12  1  0  0  0  0
 15  9  1  0  0  0  0
 16  4  1  0  0  0  0
 17  6  1  0  0  0  0
 18 10  1  0  0  0  0
 19 13  1  0  0  0  0
 20 16  2  0  0  0  0
 21 20  1  0  0  0  0
 22 23  1  0  0  0  0
 23 19  2  0  0  0  0
  5  3  2  0  0  0  0
 17 21  2  0  0  0  0
 18 22  2  0  0  0  0
M  END
>  <Mol_ID> (3,787)
3787

>  <Formula> (3,787)
C17H16N4O2

>  <MolWeight> (3,787)
308.33454

>  <COMPOUND_NAME> (3,787)
WAY-616361

>  <BAR_CODE_NO> (3,787)
90450348

$$$$
WAY-643218
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
    1.5000    2.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0167    2.0875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0167    3.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292    2.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292    3.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1250   -2.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2333   -2.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6750   -1.4917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6833   -1.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9833   -3.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792   -2.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1708   -3.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167    2.7583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3833   -0.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667    1.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5333   -3.9417    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.9375   -1.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833    1.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833    3.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7167    0.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9750   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792   -4.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458   -0.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1958    2.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1958    3.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 13  1  0  0  0  0
  9  6  2  0  0  0  0
 10 12  1  0  0  0  0
 11  6  1  0  0  0  0
 12 11  2  0  0  0  0
 13 22  1  0  0  0  0
 14  1  2  0  0  0  0
 15 13  2  0  0  0  0
 16  2  1  0  0  0  0
 17 10  1  0  0  0  0
 18  9  1  0  0  0  0
 19  4  1  0  0  0  0
 20  5  1  0  0  0  0
 21 16  1  0  0  0  0
 22 21  1  0  0  0  0
 23 12  1  0  0  0  0
 24 18  1  0  0  0  0
 25 19  2  0  0  0  0
 26 20  2  0  0  0  0
  4  5  2  0  0  0  0
 25 26  1  0  0  0  0
 10  7  2  0  0  0  0
M  END
>  <Mol_ID> (3,788)
3788

>  <Formula> (3,788)
C19H19ClN2O4

>  <MolWeight> (3,788)
374.81816

>  <COMPOUND_NAME> (3,788)
WAY-643218

>  <BAR_CODE_NO> (3,788)
90477788

$$$$
WAY-616088
csChFnd80/06171916322D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -0.3750    2.5667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458    1.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1125    1.9000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.1125    3.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4083    0.5042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9500    0.9458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6125   -2.6333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458    4.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8958    2.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542   -0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8958    2.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583   -1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7458   -3.0750    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3125   -4.0333    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042   -0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6542   -0.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4500   -1.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  8  1  0  0  0  0
  7  2  2  0  0  0  0
  8 13  1  0  0  0  0
  9  4  2  0  0  0  0
 10  3  1  0  0  0  0
 11  5  1  0  0  0  0
 12  4  1  0  0  0  0
 13 19  2  0  0  0  0
 14  6  1  0  0  0  0
 15  6  1  0  0  0  0
 16 11  1  0  0  0  0
 17 11  2  0  0  0  0
 18 16  2  0  0  0  0
 19 17  1  0  0  0  0
 10 12  1  0  0  0  0
 13 18  1  0  0  0  0
M  END
>  <Mol_ID> (3,789)
3789

>  <Formula> (3,789)
C12H12F2N2O3

>  <MolWeight> (3,789)
270.2320864

>  <COMPOUND_NAME> (3,789)
WAY-616088

>  <BAR_CODE_NO> (3,789)
90450068

$$$$
WAY-642782
csChFnd80/06171916322D

 33 36  0  0  0  0  0  0  0  0999 V2000
    1.6792    2.2208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6875   -1.6250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1750   -0.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667    1.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083   -0.5417    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.5917    3.0458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2375   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083   -1.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6875   -0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167   -0.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1000    0.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    2.3083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542    2.1333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9458   -2.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1792    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5167    1.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -0.9542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208    0.7625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167    4.6667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958   -3.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7500   -2.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542    3.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6042    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417    3.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9375   -0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6458   -3.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0083   -3.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4583   -3.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542    4.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1750    4.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1875    1.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7083   -4.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1583   -5.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4  1  1  0  0  0  0
  5  7  1  0  0  0  0
  6  1  1  0  0  0  0
  7 10  1  0  0  0  0
  8  5  1  0  0  0  0
  9  5  1  0  0  0  0
 10 15  1  0  0  0  0
 11  4  1  0  0  0  0
 12  1  2  0  0  0  0
 13  1  2  0  0  0  0
 14  2  1  0  0  0  0
 15 11  2  0  0  0  0
 16  4  2  0  0  0  0
 17  3  2  0  0  0  0
 18  7  2  0  0  0  0
 19 29  1  0  0  0  0
 20 14  1  0  0  0  0
 21 14  2  0  0  0  0
 22  6  1  0  0  0  0
 23 16  1  0  0  0  0
 24  6  1  0  0  0  0
 25 23  2  0  0  0  0
 26 20  2  0  0  0  0
 27 21  1  0  0  0  0
 28 27  2  0  0  0  0
 29 24  1  0  0  0  0
 30 22  1  0  0  0  0
 31 16  1  0  0  0  0
 32 28  1  0  0  0  0
 33 32  1  0  0  0  0
 19 30  1  0  0  0  0
 25 15  1  0  0  0  0
  3  2  1  0  0  0  0
 26 28  1  0  0  0  0
M  END
>  <Mol_ID> (3,790)
3790

>  <Formula> (3,790)
C24H29N3O5S

>  <MolWeight> (3,790)
471.56916

>  <COMPOUND_NAME> (3,790)
WAY-642782

>  <BAR_CODE_NO> (3,790)
90477345

$$$$
WAY-278598
csChFnd80/06171916322D

 21 22  0  0  0  0  0  0  0  0999 V2000
    0.5500   -0.7292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708   -0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4667   -0.7292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3292    2.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5500    0.1958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5500   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8125    0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8500    1.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8667    3.2333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9500    1.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3042    0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9500    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2500    2.4333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8500    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4875    0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708   -0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708    0.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0958   -0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0958    0.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5333    0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  8  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  2  0  0  0  0
  7  2  2  0  0  0  0
  8 10  1  0  0  0  0
  9  4  2  0  0  0  0
 10 16  2  0  0  0  0
 11 15  1  0  0  0  0
 12  3  1  0  0  0  0
 13  4  1  0  0  0  0
 14  7  1  0  0  0  0
 15 12  2  0  0  0  0
 16 12  1  0  0  0  0
 17 14  1  0  0  0  0
 18 14  2  0  0  0  0
 19 17  2  0  0  0  0
 20 18  1  0  0  0  0
 21 20  2  0  0  0  0
 11  8  2  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <Mol_ID> (3,791)
3791

>  <Formula> (3,791)
C15H13NO4S

>  <MolWeight> (3,791)
303.33302

>  <COMPOUND_NAME> (3,791)
WAY-278598

>  <BAR_CODE_NO> (3,791)
389253

$$$$
WAY-278521
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -0.6738    0.0596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6738    0.9182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0469   -0.3577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4186   -0.3577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4186    1.3354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0469    1.3354    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8124    0.0837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0469   -1.1956    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1600    0.0837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1600    0.8941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8124    0.8941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5331   -0.3370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9290   -0.3370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9290    1.3147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5814    1.3147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2779    0.0837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5331   -1.1956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9048   -1.1715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6462    0.8492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0193   -0.3577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2779   -1.6128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3910    1.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6255   -0.0094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0193   -1.1715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8124   -0.1025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8124   -1.4266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2986   -0.7784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  2  0  0  0  0
 12 17  1  0  0  0  0
 13 18  1  0  0  0  0
 14 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  2  0  0  0  0
 19 22  1  0  0  0  0
 19 23  2  0  0  0  0
 20 24  2  0  0  0  0
 20 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
  7 11  2  0  0  0  0
  9 10  1  0  0  0  0
 21 24  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (3,792)
3792

>  <Formula> (3,792)
C21H18O6

>  <MolWeight> (3,792)
366.36402

>  <COMPOUND_NAME> (3,792)
WAY-278521

>  <BAR_CODE_NO> (3,792)
389175

$$$$
WAY-616763
csChFnd80/06171916322D

 28 30  0  0  0  0  0  0  0  0999 V2000
   -1.5083    1.8792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2625    2.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9292    1.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7125    1.9875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9292    0.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2000    1.3167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7542    1.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5917   -0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7125    0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1750    2.6333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458    1.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2708   -2.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5042    0.5375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6042   -3.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1875   -1.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9250   -0.7667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333   -1.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3458   -0.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708    0.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0875    2.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8500   -2.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542    0.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0250   -2.9292    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.7667   -1.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6917   -3.9000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.6667    1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0833    0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9708   -0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  7  1  1  0  0  0  0
  8 13  1  0  0  0  0
  9  5  2  0  0  0  0
 10  1  2  0  0  0  0
 11  1  2  0  0  0  0
 12 15  1  0  0  0  0
 13 22  1  0  0  0  0
 14 21  1  0  0  0  0
 15 17  2  0  0  0  0
 16  8  2  0  0  0  0
 17 18  1  0  0  0  0
 18  8  1  0  0  0  0
 19  7  1  0  0  0  0
 20  7  2  0  0  0  0
 21 24  2  0  0  0  0
 22 26  2  0  0  0  0
 23 12  1  0  0  0  0
 24 17  1  0  0  0  0
 25 14  1  0  0  0  0
 26 20  1  0  0  0  0
 27 19  2  0  0  0  0
 28  9  1  0  0  0  0
 27 22  1  0  0  0  0
  9  6  1  0  0  0  0
 12 14  2  0  0  0  0
M  END
>  <Mol_ID> (3,793)
3793

>  <Formula> (3,793)
C18H15Cl2N3O4S

>  <MolWeight> (3,793)
440.3004

>  <COMPOUND_NAME> (3,793)
WAY-616763

>  <BAR_CODE_NO> (3,793)
90450759

$$$$
WAY-616165
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
    1.1208    2.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6083    2.8750    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.3375    2.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3792    1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3375    3.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1208    3.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2333   -3.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292   -0.5875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1833    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4250   -3.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792    0.0250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7833   -1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8750   -3.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4875   -2.8708    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7833   -4.2667    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292   -1.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1292   -2.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0667   -3.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5750   -1.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4875   -2.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333    2.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750    2.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750    3.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0917    2.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0917    3.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  2  0  0  0  0
  6  2  1  0  0  0  0
  7 11  1  0  0  0  0
  8  4  1  0  0  0  0
  9 12  1  0  0  0  0
 10  4  2  0  0  0  0
 11 14  1  0  0  0  0
 12  8  1  0  0  0  0
 13  9  2  0  0  0  0
 14 19  2  0  0  0  0
 15  7  1  0  0  0  0
 16  7  1  0  0  0  0
 17 13  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 17  1  0  0  0  0
 21 17  2  0  0  0  0
 22  2  1  0  0  0  0
 23  3  1  0  0  0  0
 24  5  1  0  0  0  0
 25 23  2  0  0  0  0
 26 25  1  0  0  0  0
  6  5  1  0  0  0  0
 24 26  2  0  0  0  0
 18 14  1  0  0  0  0
M  END
>  <Mol_ID> (3,794)
3794

>  <Formula> (3,794)
C19H18F2N2O3

>  <MolWeight> (3,794)
360.3546264

>  <COMPOUND_NAME> (3,794)
WAY-616165

>  <BAR_CODE_NO> (3,794)
90450145

$$$$
WAY-278563
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -0.8920    1.0432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8920   -0.0568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0425    1.5777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8610    1.5777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0425   -0.6258    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8610   -0.6258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9770    1.0432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0770    2.6777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7954    1.0432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9770   -0.0568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7954   -0.0568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9459   -0.5913    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7610   -0.6258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9115   -0.0258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9770   -1.7258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7299   -0.0568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8459   -0.5603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9115   -2.2603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8804   -1.6947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
  7 10  2  0  0  0  0
  9 11  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (3,795)
3795

>  <Formula> (3,795)
C15H18N2O2

>  <MolWeight> (3,795)
258.31562

>  <COMPOUND_NAME> (3,795)
WAY-278563

>  <BAR_CODE_NO> (3,795)
389218

$$$$
WAY-329280
csChFnd80/06171916322D

 35 38  0  0  0  0  0  0  0  0999 V2000
    8.3250   -7.0375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3250   -8.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2125   -8.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2125   -6.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1000   -7.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1000   -8.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4125  -12.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4375   -6.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3125  -10.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2125  -10.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3125  -12.1375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4500   -5.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6375  -12.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5375  -12.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6375  -14.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4125  -14.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4375   -8.9625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5125  -14.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2125   -5.1125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5500   -4.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4125  -10.2250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3250   -4.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7500  -14.7125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   -6.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5375  -10.8625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   -8.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6500   -5.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5125  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6375  -10.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7875   -6.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8250   -4.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9000   -7.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9000   -8.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6750   -5.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0375   -6.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7 11  1  0  0  0  0
  8  1  1  0  0  0  0
  9 10  1  0  0  0  0
 10  3  1  0  0  0  0
 11  9  1  0  0  0  0
 12  8  1  0  0  0  0
 13 14  2  0  0  0  0
 14  7  1  0  0  0  0
 15 18  2  0  0  0  0
 16  7  2  0  0  0  0
 17  2  2  0  0  0  0
 18 16  1  0  0  0  0
 19  4  2  0  0  0  0
 20 12  1  0  0  0  0
 21  9  2  0  0  0  0
 22 12  2  0  0  0  0
 23 15  1  0  0  0  0
 24  5  1  0  0  0  0
 25 14  1  0  0  0  0
 26  6  1  0  0  0  0
 27 20  1  0  0  0  0
 28 18  1  0  0  0  0
 29 25  1  0  0  0  0
 30 27  1  0  0  0  0
 31 27  1  0  0  0  0
 32 24  2  0  0  0  0
 33 32  1  0  0  0  0
 34 31  1  0  0  0  0
 35 30  1  0  0  0  0
  3  6  1  0  0  0  0
 26 33  2  0  0  0  0
 35 34  1  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <Mol_ID> (3,796)
3796

>  <Formula> (3,796)
C25H27ClN4O5

>  <MolWeight> (3,796)
498.95868

>  <COMPOUND_NAME> (3,796)
WAY-329280

>  <BAR_CODE_NO> (3,796)
304281

$$$$
WAY-616580
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.7667    1.6083    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833    0.9417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7667    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5500    0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5500    1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5125   -0.5125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2958   -0.6833    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.7542    2.4333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2917    2.2833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8458   -0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5500   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542   -0.2417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917    0.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2667    0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3583   -1.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2667    1.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6125   -2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9083   -1.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9792    0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9792    1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7167   -1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4208   -2.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9708   -1.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  6  1  0  0  0  0
  8  1  2  0  0  0  0
  9  1  2  0  0  0  0
 10  7  1  0  0  0  0
 11  7  1  0  0  0  0
 12 10  2  0  0  0  0
 13 10  1  0  0  0  0
 14  4  1  0  0  0  0
 15 11  1  0  0  0  0
 16  5  1  0  0  0  0
 17 15  1  0  0  0  0
 18 15  2  0  0  0  0
 19 20  1  0  0  0  0
 20 16  2  0  0  0  0
 21 18  1  0  0  0  0
 22 17  2  0  0  0  0
 23 21  2  0  0  0  0
  3  4  1  0  0  0  0
 14 19  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (3,797)
3797

>  <Formula> (3,797)
C16H14N2O4S

>  <MolWeight> (3,797)
330.35836

>  <COMPOUND_NAME> (3,797)
WAY-616580

>  <BAR_CODE_NO> (3,797)
90450572

$$$$
WAY-330554
csChFnd80/06171916322D

 22 25  0  0  0  0  0  0  0  0999 V2000
    1.6042  -12.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0250  -13.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3500  -12.8292    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.0208  -14.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0125  -14.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6375  -12.7542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2750  -13.9542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6042  -12.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208  -11.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0750  -16.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5417  -10.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792  -10.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083  -11.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8500   -9.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2708  -10.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6833   -9.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6000   -8.8917    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6000  -10.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542  -10.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000   -8.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5417   -8.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417   -8.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  8  2  0  0  0  0
  7  2  1  0  0  0  0
  8  1  1  0  0  0  0
  9  3  1  0  0  0  0
 10  5  2  0  0  0  0
 11  8  1  0  0  0  0
 12  9  2  0  0  0  0
 13  9  1  0  0  0  0
 14 15  1  0  0  0  0
 15 13  2  0  0  0  0
 16 12  1  0  0  0  0
 17 14  1  0  0  0  0
 18 11  2  0  0  0  0
 19 11  1  0  0  0  0
 20 19  2  0  0  0  0
 21 18  1  0  0  0  0
 22 20  1  0  0  0  0
  6  7  1  0  0  0  0
  5  4  1  0  0  0  0
 16 14  2  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (3,798)
3798

>  <Formula> (3,798)
C17H12FN3O

>  <MolWeight> (3,798)
293.2950832

>  <COMPOUND_NAME> (3,798)
WAY-330554

>  <BAR_CODE_NO> (3,798)
305555

$$$$
WAY-330553
csChFnd80/06171916322D

 22 25  0  0  0  0  0  0  0  0999 V2000
    9.7917  -14.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0292  -14.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0542  -14.1375    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.8375  -14.8417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4417  -15.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9792  -14.0917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7667  -14.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3750  -13.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6042  -13.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4792  -16.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3417  -12.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8917  -12.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9667  -13.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7625  -12.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5167  -13.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4500  -12.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3250  -11.8292    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.9542  -12.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7042  -12.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6667  -11.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9250  -11.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2792  -11.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  8  2  0  0  0  0
  7  2  1  0  0  0  0
  8  1  1  0  0  0  0
  9  3  1  0  0  0  0
 10  5  2  0  0  0  0
 11  8  1  0  0  0  0
 12  9  2  0  0  0  0
 13  9  1  0  0  0  0
 14 15  1  0  0  0  0
 15 13  2  0  0  0  0
 16 12  1  0  0  0  0
 17 14  1  0  0  0  0
 18 11  2  0  0  0  0
 19 11  1  0  0  0  0
 20 19  2  0  0  0  0
 21 18  1  0  0  0  0
 22 20  1  0  0  0  0
  6  7  1  0  0  0  0
  5  4  1  0  0  0  0
 16 14  2  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (3,799)
3799

>  <Formula> (3,799)
C17H12ClN3O

>  <MolWeight> (3,799)
309.74968

>  <COMPOUND_NAME> (3,799)
WAY-330553

>  <BAR_CODE_NO> (3,799)
305554

$$$$
WAY-330552
csChFnd80/06171916322D

 23 26  0  0  0  0  0  0  0  0999 V2000
   14.1667  -11.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5417  -12.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0292  -11.9542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.7000  -13.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.6292  -13.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -11.8917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.6667  -12.9583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.0667  -11.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3417  -11.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6875  -14.8042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0167  -10.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3625  -11.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6667  -10.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7917   -9.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5417  -10.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1042   -9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9625   -9.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0292   -9.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0500   -9.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8292   -9.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9792   -8.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9125   -8.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9250   -7.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  8  2  0  0  0  0
  7  2  1  0  0  0  0
  8  1  1  0  0  0  0
  9  3  1  0  0  0  0
 10  5  2  0  0  0  0
 11  8  1  0  0  0  0
 12  9  1  0  0  0  0
 13 12  2  0  0  0  0
 14  9  2  0  0  0  0
 15 13  1  0  0  0  0
 16 14  1  0  0  0  0
 17 11  2  0  0  0  0
 18 11  1  0  0  0  0
 19 16  2  0  0  0  0
 20 15  1  0  0  0  0
 21 18  2  0  0  0  0
 22 17  1  0  0  0  0
 23 21  1  0  0  0  0
  6  7  1  0  0  0  0
  5  4  1  0  0  0  0
 22 23  2  0  0  0  0
 13 19  1  0  0  0  0
M  END
>  <Mol_ID> (3,800)
3800

>  <Formula> (3,800)
C18H15N3O2

>  <MolWeight> (3,800)
305.3306

>  <COMPOUND_NAME> (3,800)
WAY-330552

>  <BAR_CODE_NO> (3,800)
305553

$$$$
WAY-330555
csChFnd80/06171916322D

 22 25  0  0  0  0  0  0  0  0999 V2000
   14.1542  -11.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5375  -12.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0292  -11.2417    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.6917  -12.3250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.6250  -12.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -11.1750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.6667  -12.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.0667  -10.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3417  -10.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6750  -14.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0167   -9.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3500  -10.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6542   -9.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5375   -9.7542    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.7917   -9.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1000   -8.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9500   -8.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0292   -8.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0375   -8.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9667   -7.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9000   -7.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9167   -7.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  8  2  0  0  0  0
  7  2  1  0  0  0  0
  8  1  1  0  0  0  0
  9  3  1  0  0  0  0
 10  5  2  0  0  0  0
 11  8  1  0  0  0  0
 12  9  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15  9  2  0  0  0  0
 16 15  1  0  0  0  0
 17 11  2  0  0  0  0
 18 11  1  0  0  0  0
 19 16  2  0  0  0  0
 20 18  2  0  0  0  0
 21 17  1  0  0  0  0
 22 20  1  0  0  0  0
  6  7  1  0  0  0  0
  5  4  1  0  0  0  0
 21 22  2  0  0  0  0
 13 19  1  0  0  0  0
M  END
>  <Mol_ID> (3,801)
3801

>  <Formula> (3,801)
C17H12FN3O

>  <MolWeight> (3,801)
293.2950832

>  <COMPOUND_NAME> (3,801)
WAY-330555

>  <BAR_CODE_NO> (3,801)
305556

$$$$
WAY-278542
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.3542    0.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1000   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2625   -0.5542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3000    0.0833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1000    0.9458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.8167    0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9708   -0.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7375    0.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833    1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7000   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167    1.6833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6208    0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0458   -1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1292    1.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1542   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6667    0.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5625   -0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8833   -1.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6625   -1.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  2  0  0  0  0
  4  6  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  5  1  0  0  0  0
  8  2  1  0  0  0  0
  9  7  1  0  0  0  0
 10  4  1  0  0  0  0
 11  8  2  0  0  0  0
 12  7  2  0  0  0  0
 13 10  1  0  0  0  0
 14  8  1  0  0  0  0
 15  9  1  0  0  0  0
 16  9  1  0  0  0  0
 17  9  1  0  0  0  0
 18 11  1  0  0  0  0
 19 14  2  0  0  0  0
 20 19  1  0  0  0  0
  2  4  2  0  0  0  0
 11 13  1  0  0  0  0
 18 20  2  0  0  0  0
M  END
>  <Mol_ID> (3,802)
3802

>  <Formula> (3,802)
C16H18N2OS

>  <MolWeight> (3,802)
286.39192

>  <COMPOUND_NAME> (3,802)
WAY-278542

>  <BAR_CODE_NO> (3,802)
389196

$$$$
WAY-616555
csChFnd80/06171916322D

 23 26  0  0  0  0  0  0  0  0999 V2000
    1.0542   -0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2167    0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2167   -0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667    0.4833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667   -0.8500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.8792   -0.1833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2917    0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1167    0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8292    0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8292    0.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833    0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833   -1.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8792    1.2458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6375    0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6375   -0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000    1.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4667   -2.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3042   -1.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4667    2.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3042    0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2208    1.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2208   -2.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  1  2  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  8  1  0  0  0  0
 11  2  1  0  0  0  0
 12  3  1  0  0  0  0
 13  7  2  0  0  0  0
 14 11  2  0  0  0  0
 15 12  2  0  0  0  0
 16 12  1  0  0  0  0
 17 11  1  0  0  0  0
 18 15  1  0  0  0  0
 19 16  2  0  0  0  0
 20 17  2  0  0  0  0
 21 14  1  0  0  0  0
 22 20  1  0  0  0  0
 23 19  1  0  0  0  0
  2  3  2  0  0  0  0
  9 10  1  0  0  0  0
 18 23  2  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (3,803)
3803

>  <Formula> (3,803)
C19H16N2OS

>  <MolWeight> (3,803)
320.40814

>  <COMPOUND_NAME> (3,803)
WAY-616555

>  <BAR_CODE_NO> (3,803)
90450547

$$$$
WAY-642749
csChFnd80/06171916322D

 21 24  0  0  0  0  0  0  0  0999 V2000
    0.3625   -0.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208    0.1083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083   -0.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1875   -0.5667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208   -1.2292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6208    0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6208   -1.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3333   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1875    0.8625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3333   -0.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6208    1.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0500    0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9125   -0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9125    0.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3333    1.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0500    1.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6917    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6917   -0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  2  0  0  0  0
  4  6  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  5  1  0  0  0  0
  8  2  1  0  0  0  0
  9  4  1  0  0  0  0
 10  8  2  0  0  0  0
 11  7  2  0  0  0  0
 12  7  1  0  0  0  0
 13  9  1  0  0  0  0
 14  8  1  0  0  0  0
 15 10  1  0  0  0  0
 16 12  1  0  0  0  0
 17 12  1  0  0  0  0
 18 14  2  0  0  0  0
 19 18  1  0  0  0  0
 20 17  1  0  0  0  0
 21 16  1  0  0  0  0
  4  2  2  0  0  0  0
 10 13  1  0  0  0  0
 20 21  1  0  0  0  0
 19 15  2  0  0  0  0
M  END
>  <Mol_ID> (3,804)
3804

>  <Formula> (3,804)
C17H18N2OS

>  <MolWeight> (3,804)
298.40262

>  <COMPOUND_NAME> (3,804)
WAY-642749

>  <BAR_CODE_NO> (3,804)
90477312

$$$$
WAY-329453
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
    5.8644    3.8018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0220    3.0894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1965    4.2270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8644    2.4041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1897    1.9676    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6499    4.4983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4196    3.0803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4445    2.3928    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.2232    1.6849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6499    1.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4445    3.8018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9318    2.2661    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.6499    5.8960    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0739    0.2940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1185    4.2948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7011    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6352    5.5568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1185    1.8749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5162    1.8749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8 11  1  0  0  0  0
  9  8  1  0  0  0  0
 10  4  1  0  0  0  0
 11  6  1  0  0  0  0
 12  9  1  0  0  0  0
 13  6  2  0  0  0  0
 14  9  2  0  0  0  0
 15 12  1  0  0  0  0
 16  7  2  0  0  0  0
 17 14  1  0  0  0  0
 18  3  1  0  0  0  0
 19  7  1  0  0  0  0
 20 19  1  0  0  0  0
  8 10  1  0  0  0  0
  2  5  1  0  0  0  0
 17 15  2  0  0  0  0
M  END
>  <Mol_ID> (3,805)
3805

>  <Formula> (3,805)
C15H15NO3S

>  <MolWeight> (3,805)
289.3495

>  <COMPOUND_NAME> (3,805)
WAY-329453

>  <BAR_CODE_NO> (3,805)
304454

$$$$
WAY-329486
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    2.9292   -0.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2042   -0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7167   -0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9292   -1.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7167   -1.6417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2167   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0375   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5042   -1.4042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.2167   -1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7792   -1.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5042   -0.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292   -1.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2167    0.6708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   -2.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4542   -0.2750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5250   -2.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1083   -2.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9792    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4500   -1.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5167   -2.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2750   -1.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6792   -2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9417   -3.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7792   -3.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8 11  1  0  0  0  0
  9  4  1  0  0  0  0
 10  8  1  0  0  0  0
 11  6  1  0  0  0  0
 12 10  1  0  0  0  0
 13  6  2  0  0  0  0
 14 10  2  0  0  0  0
 15  7  2  0  0  0  0
 16 12  1  0  0  0  0
 17 14  1  0  0  0  0
 18  3  1  0  0  0  0
 19  7  1  0  0  0  0
 20 22  1  0  0  0  0
 21 19  1  0  0  0  0
 22 21  1  0  0  0  0
 23 20  1  0  0  0  0
 24 23  1  0  0  0  0
  9  8  1  0  0  0  0
  5  2  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (3,806)
3806

>  <Formula> (3,806)
C18H21NO5

>  <MolWeight> (3,806)
331.36304

>  <COMPOUND_NAME> (3,806)
WAY-329486

>  <BAR_CODE_NO> (3,806)
304487

$$$$
WAY-329454
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
    5.1750   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8542   -2.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4500   -0.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1750   -3.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4375   -4.7292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1042   -0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2417   -2.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0417   -4.0042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.0375   -5.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1042   -5.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0417   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2458   -4.2250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.1042    1.9750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2958   -7.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8333   -6.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4292   -0.7542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6375   -8.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1917    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4292   -4.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8167   -4.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8 11  1  0  0  0  0
  9  8  1  0  0  0  0
 10  4  1  0  0  0  0
 11  6  1  0  0  0  0
 12  9  1  0  0  0  0
 13  6  2  0  0  0  0
 14  9  2  0  0  0  0
 15 12  1  0  0  0  0
 16  7  2  0  0  0  0
 17 14  1  0  0  0  0
 18  3  1  0  0  0  0
 19  7  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 10  8  1  0  0  0  0
  2  5  1  0  0  0  0
 17 15  2  0  0  0  0
M  END
>  <Mol_ID> (3,807)
3807

>  <Formula> (3,807)
C16H17NO3S

>  <MolWeight> (3,807)
303.37608

>  <COMPOUND_NAME> (3,807)
WAY-329454

>  <BAR_CODE_NO> (3,807)
304455

$$$$
WAY-329456
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    5.1667   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8500   -2.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4417   -0.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1667   -3.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4292   -4.7250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1000   -0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2292   -2.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0417   -4.0042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.0375   -5.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1000   -5.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0417   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2375   -4.2167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.4250   -4.8792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1000    1.9750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4250   -0.7542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2875   -7.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8292   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6333   -8.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1917    1.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8042   -4.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9875   -6.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -2.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8 11  1  0  0  0  0
  9  8  1  0  0  0  0
 10  4  1  0  0  0  0
 11  6  1  0  0  0  0
 12  9  1  0  0  0  0
 13  7  1  0  0  0  0
 14  6  2  0  0  0  0
 15  7  2  0  0  0  0
 16  9  2  0  0  0  0
 17 12  1  0  0  0  0
 18 16  1  0  0  0  0
 19  3  1  0  0  0  0
 20 13  1  0  0  0  0
 21 20  1  0  0  0  0
 22 20  1  0  0  0  0
 10  8  1  0  0  0  0
  2  5  1  0  0  0  0
 18 17  2  0  0  0  0
M  END
>  <Mol_ID> (3,808)
3808

>  <Formula> (3,808)
C17H19NO3S

>  <MolWeight> (3,808)
317.40266

>  <COMPOUND_NAME> (3,808)
WAY-329456

>  <BAR_CODE_NO> (3,808)
304457

$$$$
WAY-329460
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    7.7792   -6.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5792   -7.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5125   -5.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7792   -8.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5042   -8.8542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2042   -5.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4000   -7.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6417   -8.3042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.0542   -9.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2042   -9.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6417   -6.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4042   -8.4875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.2042   -3.7625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8792  -11.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000   -9.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3042   -5.8292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042  -11.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0792   -4.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3042   -8.9917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1167   -8.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8500   -3.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -10.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4167   -2.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8 11  1  0  0  0  0
  9  8  1  0  0  0  0
 10  4  1  0  0  0  0
 11  6  1  0  0  0  0
 12  9  1  0  0  0  0
 13  6  2  0  0  0  0
 14  9  2  0  0  0  0
 15 12  1  0  0  0  0
 16  7  2  0  0  0  0
 17 14  1  0  0  0  0
 18  3  1  0  0  0  0
 19  7  1  0  0  0  0
 20 19  1  0  0  0  0
 21 18  1  0  0  0  0
 22 20  1  0  0  0  0
 23 21  1  0  0  0  0
  8 10  1  0  0  0  0
  2  5  1  0  0  0  0
 17 15  2  0  0  0  0
M  END
>  <Mol_ID> (3,809)
3809

>  <Formula> (3,809)
C18H21NO3S

>  <MolWeight> (3,809)
331.42924

>  <COMPOUND_NAME> (3,809)
WAY-329460

>  <BAR_CODE_NO> (3,809)
304461

$$$$
WAY-332931
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -3.0375    3.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2583    3.5333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0333    2.4583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7708    2.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9417    2.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500    2.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7667    2.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    3.6875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5292    2.8958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458    2.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    2.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4583    2.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5375    1.4625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1875    1.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4583    3.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458    3.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333    2.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042    2.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2917    2.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792    3.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1750    2.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7750    0.7583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0042    1.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000    0.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9917    2.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4125    2.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  9  1  0  0  0  0
  6  3  1  0  0  0  0
  7  5  1  0  0  0  0
  8  1  1  0  0  0  0
  9 18  1  0  0  0  0
 10  4  1  0  0  0  0
 11  3  1  0  0  0  0
 12 15  1  0  0  0  0
 13  5  2  0  0  0  0
 14  7  1  0  0  0  0
 15  8  2  0  0  0  0
 16 10  1  0  0  0  0
 17 10  2  0  0  0  0
 18 19  2  0  0  0  0
 19 17  1  0  0  0  0
 20 16  2  0  0  0  0
 21  7  2  0  0  0  0
 22 14  1  0  0  0  0
 23 14  2  0  0  0  0
 24 22  1  0  0  0  0
 25 21  1  0  0  0  0
 26 25  2  0  0  0  0
  4  6  2  0  0  0  0
 12 11  2  0  0  0  0
 20 18  1  0  0  0  0
 23 26  1  0  0  0  0
M  END
>  <Mol_ID> (3,810)
3810

>  <Formula> (3,810)
C20H16N4O2

>  <MolWeight> (3,810)
344.36664

>  <COMPOUND_NAME> (3,810)
WAY-332931

>  <BAR_CODE_NO> (3,810)
307932

$$$$
WAY-332937
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -3.0375    3.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2583    3.5333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0333    2.4583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7708    2.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500    2.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9417    2.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    3.6875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7667    2.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5292    2.8958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458    2.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    2.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4583    2.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1792    1.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1667    2.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5375    1.4625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4042    2.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875    2.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    1.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4583    3.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458    3.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333    2.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042    2.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2917    2.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792    3.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4167    0.7708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3875    3.6208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2417    0.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9750    4.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  9  1  0  0  0  0
  7  1  1  0  0  0  0
  8  6  1  0  0  0  0
  9 22  1  0  0  0  0
 10  4  1  0  0  0  0
 11  3  1  0  0  0  0
 12 19  1  0  0  0  0
 13  8  1  0  0  0  0
 14  8  2  0  0  0  0
 15  6  2  0  0  0  0
 16 17  2  0  0  0  0
 17 14  1  0  0  0  0
 18 13  2  0  0  0  0
 19  7  2  0  0  0  0
 20 10  1  0  0  0  0
 21 10  2  0  0  0  0
 22 23  2  0  0  0  0
 23 21  1  0  0  0  0
 24 20  2  0  0  0  0
 25 18  1  0  0  0  0
 26 17  1  0  0  0  0
 27 25  1  0  0  0  0
 28 26  1  0  0  0  0
  4  5  2  0  0  0  0
 12 11  2  0  0  0  0
 24 22  1  0  0  0  0
 18 16  1  0  0  0  0
M  END
>  <Mol_ID> (3,811)
3811

>  <Formula> (3,811)
C21H18N4O3

>  <MolWeight> (3,811)
374.39262

>  <COMPOUND_NAME> (3,811)
WAY-332937

>  <BAR_CODE_NO> (3,811)
307938

$$$$
WAY-329712
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
    9.2542   -9.0167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2542  -10.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6375   -8.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7417  -11.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6375  -11.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0167   -9.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7417   -8.5292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8125   -9.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0167  -10.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6375   -6.6125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2500   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7417   -5.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2417   -3.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8625   -2.5750    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   13.4000  -11.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6250   -5.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6125   -2.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9917   -4.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -3.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  2  1  0  0  0  0
  6  3  2  0  0  0  0
  7  1  1  0  0  0  0
  8  7  2  0  0  0  0
  9  6  1  0  0  0  0
 10  3  1  0  0  0  0
 11 12  1  0  0  0  0
 12 10  1  0  0  0  0
 13 11  1  0  0  0  0
 14 13  1  0  0  0  0
 15  9  1  0  0  0  0
 16 11  2  0  0  0  0
 17 13  2  0  0  0  0
 18 16  1  0  0  0  0
 19 18  2  0  0  0  0
  4  8  1  0  0  0  0
  9  5  2  0  0  0  0
 19 17  1  0  0  0  0
M  END
>  <Mol_ID> (3,812)
3812

>  <Formula> (3,812)
C13H12ClN5

>  <MolWeight> (3,812)
273.72088

>  <COMPOUND_NAME> (3,812)
WAY-329712

>  <BAR_CODE_NO> (3,812)
304713

$$$$
WAY-332410
csChFnd80/06171916322D

 33 37  0  0  0  0  0  0  0  0999 V2000
   -1.3958    2.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958    3.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0458    2.2083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000    3.4208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0458    3.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4333    2.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000    3.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9875    0.3458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9875    1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000    2.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000    1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042    0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5667    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042   -0.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5667   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0958    2.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0167   -1.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5875    1.3708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000    1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000    3.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042   -1.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4500   -2.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4000    3.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5000    2.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0625    3.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1833    2.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792   -2.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6375   -2.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667   -3.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4708    2.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  2  0  0  0  0
  7  2  2  0  0  0  0
  8  3  2  0  0  0  0
  9  6  1  0  0  0  0
 10 12  1  0  0  0  0
 11 18  1  0  0  0  0
 12 14  1  0  0  0  0
 13  6  1  0  0  0  0
 14 13  1  0  0  0  0
 15 10  1  0  0  0  0
 16 10  1  0  0  0  0
 17 15  1  0  0  0  0
 18 16  1  0  0  0  0
 19  8  1  0  0  0  0
 20 11  1  0  0  0  0
 21 12  2  0  0  0  0
 22  5  1  0  0  0  0
 23  9  1  0  0  0  0
 24 20  2  0  0  0  0
 25 20  1  0  0  0  0
 26 19  1  0  0  0  0
 27 19  2  0  0  0  0
 28 26  2  0  0  0  0
 29 27  1  0  0  0  0
 30 25  2  0  0  0  0
 31 24  1  0  0  0  0
 32 30  1  0  0  0  0
 33 29  2  0  0  0  0
  8  7  1  0  0  0  0
  4  9  2  0  0  0  0
 33 28  1  0  0  0  0
 11 17  1  0  0  0  0
 31 32  2  0  0  0  0
M  END
>  <Mol_ID> (3,813)
3813

>  <Formula> (3,813)
C27H29N5O

>  <MolWeight> (3,813)
439.55206

>  <COMPOUND_NAME> (3,813)
WAY-332410

>  <BAR_CODE_NO> (3,813)
307411

$$$$
WAY-312215
csChFnd80/06171916322D

 16 18  0  0  0  0  0  0  0  0999 V2000
   -0.0321    0.2640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3666    0.2640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3231   -0.9912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8817    1.1812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7735   -0.9395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2148    1.2502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7631   -1.7119    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6128   -1.3222    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1645    0.8743    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5783    2.5123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0700   -1.1601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5114    0.9778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5196   -0.3981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9286   -0.1774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8196   -0.7532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7610    0.1295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  8 13  2  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
  5  7  1  0  0  0  0
  9 13  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <Mol_ID> (3,814)
3814

>  <Formula> (3,814)
C12H14N2OS

>  <MolWeight> (3,814)
234.31736

>  <COMPOUND_NAME> (3,814)
WAY-312215

>  <BAR_CODE_NO> (3,814)
90463692

$$$$
WAY-331246
csChFnd80/06171916322D

 32 35  0  0  0  0  0  0  0  0999 V2000
   -6.6875    4.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7000    7.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7750    3.5333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8375    7.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8375    4.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7750    8.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4083    4.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4333    7.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0125    5.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2292   -2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0167   -0.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0167   -4.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7083   10.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083    5.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917    3.9250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9250    3.5208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7750   10.7417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0167   -6.5917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6250   -2.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542   -4.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    1.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6167   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542   -8.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542   -7.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7750    1.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9250    8.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083    1.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9917    3.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3208   11.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5958   14.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2125   16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2458   14.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  7  2  0  0  0  0
 10 11  1  0  0  0  0
 11 21  1  0  0  0  0
 12 10  1  0  0  0  0
 13  8  1  0  0  0  0
 14  9  1  0  0  0  0
 15 14  1  0  0  0  0
 16  5  2  0  0  0  0
 17  6  2  0  0  0  0
 18 12  1  0  0  0  0
 19 10  2  0  0  0  0
 20 12  2  0  0  0  0
 21 28  1  0  0  0  0
 22 27  1  0  0  0  0
 23 18  1  0  0  0  0
 24 20  1  0  0  0  0
 25  3  1  0  0  0  0
 26  4  1  0  0  0  0
 27 15  1  0  0  0  0
 28 15  1  0  0  0  0
 29 13  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
 32 30  1  0  0  0  0
  8  9  1  0  0  0  0
  6  4  1  0  0  0  0
 11 22  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (3,815)
3815

>  <Formula> (3,815)
C22H30N6O4

>  <MolWeight> (3,815)
442.5114

>  <COMPOUND_NAME> (3,815)
WAY-331246

>  <BAR_CODE_NO> (3,815)
306247

$$$$
WAY-623889
csChFnd80/06171916322D

 34 38  0  0  0  0  0  0  0  0999 V2000
   -2.4333    0.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9208    1.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5833    2.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6125    0.8625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7000    1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7000    0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9208    0.1083    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7625    2.2833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2750    1.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0917   -2.1292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4208    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4208   -0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0708    2.8708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6042   -1.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1542    0.5458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583    1.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292    1.0375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000   -0.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8500    1.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0667   -3.4625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7875   -1.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9417   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6417   -0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1333    1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3042   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4625   -0.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1333    0.3625    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7542   -2.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9167   -2.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4000   -2.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2417   -3.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083    0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8458   -0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  7  1  0  0  0  0
  7  1  1  0  0  0  0
  8  9  1  0  0  0  0
  9  4  2  0  0  0  0
 10 15  1  0  0  0  0
 11 20  1  0  0  0  0
 12  5  1  0  0  0  0
 13  6  1  0  0  0  0
 14  3  2  0  0  0  0
 15 23  2  0  0  0  0
 16 11  1  0  0  0  0
 17  9  1  0  0  0  0
 18 17  1  0  0  0  0
 19 11  2  0  0  0  0
 20 18  1  0  0  0  0
 21 31  1  0  0  0  0
 22 26  2  0  0  0  0
 23 27  1  0  0  0  0
 24 16  1  0  0  0  0
 25 12  1  0  0  0  0
 26 24  1  0  0  0  0
 27 24  2  0  0  0  0
 28 13  1  0  0  0  0
 29 10  1  0  0  0  0
 30 10  1  0  0  0  0
 31 30  1  0  0  0  0
 32 29  1  0  0  0  0
 33 18  1  0  0  0  0
 34 28  1  0  0  0  0
  6  5  2  0  0  0  0
  8  3  1  0  0  0  0
 25 28  1  0  0  0  0
 15 22  1  0  0  0  0
 21 32  1  0  0  0  0
M  END
>  <Mol_ID> (3,816)
3816

>  <Formula> (3,816)
C25H31N5O3S

>  <MolWeight> (3,816)
481.61034

>  <COMPOUND_NAME> (3,816)
WAY-623889

>  <BAR_CODE_NO> (3,816)
90458061

$$$$
WAY-615980
csChFnd80/06171916322D

 31 35  0  0  0  0  0  0  0  0999 V2000
   -2.3375   -1.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3375   -2.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6250   -2.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6250   -0.9667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1250   -1.1208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1250   -2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9125   -2.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6083   -1.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9125   -1.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3750    2.7458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6250   -3.4417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6625    2.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167    1.0958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2333   -0.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8042    3.5708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6625    1.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9458    2.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958   -0.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2333    1.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958   -0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4583   -3.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9458    1.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2333    2.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4292   -1.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0917    2.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3750    3.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0917    3.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8042    2.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2792   -3.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7667   -2.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  9  1  0  0  0  0
  8  5  1  0  0  0  0
  9  4  2  0  0  0  0
 10 13  1  0  0  0  0
 11 21  1  0  0  0  0
 12  3  2  0  0  0  0
 13 18  2  0  0  0  0
 14 11  1  0  0  0  0
 15 11  2  0  0  0  0
 16 28  1  0  0  0  0
 17 23  2  0  0  0  0
 18 24  1  0  0  0  0
 19  9  1  0  0  0  0
 20 14  1  0  0  0  0
 21 19  1  0  0  0  0
 22  6  1  0  0  0  0
 23 20  1  0  0  0  0
 24 20  2  0  0  0  0
 25  8  1  0  0  0  0
 26 10  1  0  0  0  0
 27 10  1  0  0  0  0
 28 27  1  0  0  0  0
 29 26  1  0  0  0  0
 30 22  1  0  0  0  0
 31 25  1  0  0  0  0
  8  6  2  0  0  0  0
  3  7  1  0  0  0  0
 31 30  1  0  0  0  0
 17 13  1  0  0  0  0
 29 16  1  0  0  0  0
M  END
>  <Mol_ID> (3,817)
3817

>  <Formula> (3,817)
C23H26N4O3S

>  <MolWeight> (3,817)
438.54254

>  <COMPOUND_NAME> (3,817)
WAY-615980

>  <BAR_CODE_NO> (3,817)
90449956

$$$$
WAY-643773
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -0.5458   -1.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8208   -2.0667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3333   -1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6667    2.2708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2250    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167   -1.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042   -0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167   -0.3417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458   -2.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3333   -2.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9250    3.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1625    0.6958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9667    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7292    3.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3917   -0.7542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042   -1.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0292    1.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2875    2.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6458   -2.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5167    0.2583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9875    4.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8750   -1.2667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0583   -1.3542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.5833   -0.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3750    3.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5833   -3.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0458   -0.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7208   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3333   -0.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  2  0  0  0  0
  4  5  2  0  0  0  0
  5 13  1  0  0  0  0
  6  1  1  0  0  0  0
  7  8  2  0  0  0  0
  8  6  1  0  0  0  0
  9  1  1  0  0  0  0
 10  9  2  0  0  0  0
 11  4  1  0  0  0  0
 12  7  1  0  0  0  0
 13 12  1  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 16  6  2  0  0  0  0
 17  5  1  0  0  0  0
 18 17  2  0  0  0  0
 19  2  1  0  0  0  0
 20 13  2  0  0  0  0
 21 14  2  0  0  0  0
 22 23  1  0  0  0  0
 23 19  1  0  0  0  0
 24  3  1  0  0  0  0
 25 11  1  0  0  0  0
 26 10  1  0  0  0  0
 27 22  1  0  0  0  0
 28 23  1  0  0  0  0
 29 28  1  0  0  0  0
  2 10  1  0  0  0  0
  7 15  1  0  0  0  0
 27 29  1  0  0  0  0
 14 11  1  0  0  0  0
M  END
>  <Mol_ID> (3,818)
3818

>  <Formula> (3,818)
C20H23N5O3S

>  <MolWeight> (3,818)
413.49332

>  <COMPOUND_NAME> (3,818)
WAY-643773

>  <BAR_CODE_NO> (3,818)
90478345

$$$$
WAY-624578-A
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
   12.0764   -6.4996    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.8379   -5.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3149   -7.8150    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6228  -10.5379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5074  -11.7687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6228  -13.0070    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1690  -11.0072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1690  -12.5302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7611   -5.7381    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4071   -7.2611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7919  -10.4534    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7919   -7.8150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0764   -9.1380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3609   -5.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0304  -11.7687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3149  -10.4534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0304   -9.1380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1224   -6.4996    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.0764   -3.8537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8537  -10.2457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8537  -13.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1224   -3.8537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8379   -2.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5383  -12.5302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5383  -11.0072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3609   -2.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  5  2  0  0  0  0
  5 15  1  0  0  0  0
  6  5  1  0  0  0  0
  7  4  1  0  0  0  0
  8  6  1  0  0  0  0
  9  1  2  0  0  0  0
 10  1  2  0  0  0  0
 11 16  1  0  0  0  0
 12  3  1  0  0  0  0
 13  3  1  0  0  0  0
 14  2  2  0  0  0  0
 15 11  1  0  0  0  0
 16 13  1  0  0  0  0
 17 12  1  0  0  0  0
 18 14  1  0  0  0  0
 19  2  1  0  0  0  0
 20  7  1  0  0  0  0
 21  8  1  0  0  0  0
 22 14  1  0  0  0  0
 23 19  2  0  0  0  0
 24 21  2  0  0  0  0
 25 20  2  0  0  0  0
 26 23  1  0  0  0  0
 11 17  1  0  0  0  0
 26 22  2  0  0  0  0
  8  7  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (3,819)
3819

>  <Formula> (3,819)
C18H19FN4O2S

>  <MolWeight> (3,819)
374.4324632

>  <COMPOUND_NAME> (3,819)
WAY-624578-A

>  <BAR_CODE_NO> (3,819)
90458754

$$$$
WAY-332906
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
    3.5667   -6.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3500   -6.2292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5667   -7.3125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8417   -6.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3542   -7.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8500   -6.0667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6667   -6.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8500   -7.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9167   -9.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3292   -8.3125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292   -7.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0875   -7.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9125   -7.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292   -6.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0917   -9.0375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1625   -9.7417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3375   -9.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5667   -9.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0750   -6.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9042   -6.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3292   -6.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3917   -9.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1542   -8.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5542   -7.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8042   -8.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3792   -7.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8  3  1  0  0  0  0
  9 10  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12  7  2  0  0  0  0
 13 12  1  0  0  0  0
 14  6  2  0  0  0  0
 15  9  2  0  0  0  0
 16 17  1  0  0  0  0
 17  9  1  0  0  0  0
 18 16  1  0  0  0  0
 19  7  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 18  1  0  0  0  0
 23 18  2  0  0  0  0
 24 23  1  0  0  0  0
 25 22  2  0  0  0  0
 26 24  2  0  0  0  0
  4  5  2  0  0  0  0
 11  8  2  0  0  0  0
 21 13  2  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (3,820)
3820

>  <Formula> (3,820)
C20H16N4O2

>  <MolWeight> (3,820)
344.36664

>  <COMPOUND_NAME> (3,820)
WAY-332906

>  <BAR_CODE_NO> (3,820)
307907

$$$$
WAY-332926
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -3.0375    3.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2583    3.5333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0333    2.4583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7708    2.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500    2.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    3.6875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2917    2.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458    2.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042    1.4583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3000    0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333    2.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    2.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4583    2.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042    2.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4583    3.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5250    0.7333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458    3.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792    3.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125    0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5375    0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5250    2.8958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9375    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9417   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9292    3.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7667   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7625    0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1750    0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7 11  1  0  0  0  0
  8  4  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11  8  2  0  0  0  0
 12  3  1  0  0  0  0
 13 15  1  0  0  0  0
 14 18  1  0  0  0  0
 15  6  2  0  0  0  0
 16 10  2  0  0  0  0
 17  8  1  0  0  0  0
 18 17  2  0  0  0  0
 19 10  1  0  0  0  0
 20 19  1  0  0  0  0
 21 14  1  0  0  0  0
 22 20  2  0  0  0  0
 23 20  1  0  0  0  0
 24 21  1  0  0  0  0
 25 23  2  0  0  0  0
 26 22  1  0  0  0  0
 27 25  1  0  0  0  0
  4  5  2  0  0  0  0
 13 12  2  0  0  0  0
 14  7  2  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <Mol_ID> (3,821)
3821

>  <Formula> (3,821)
C21H18N4O2

>  <MolWeight> (3,821)
358.39322

>  <COMPOUND_NAME> (3,821)
WAY-332926

>  <BAR_CODE_NO> (3,821)
307927

$$$$
WAY-333371
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
    5.3167   -4.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6042   -3.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7792   -2.9750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9417   -3.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3167   -5.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8917   -4.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6167   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6042   -5.4500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8917   -5.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1667   -3.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1667   -5.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0292   -2.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4542   -4.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4542   -5.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0375   -5.4375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2667   -1.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8542   -2.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7375   -3.7917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7417   -5.4417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7417   -5.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6167   -1.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8667   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4625   -5.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1750   -5.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0250   -4.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7417   -6.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0292   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8917   -5.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1667   -4.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  4  2  0  0  0  0
  8  5  2  0  0  0  0
  9  8  1  0  0  0  0
 10  6  2  0  0  0  0
 11  9  2  0  0  0  0
 12  7  1  0  0  0  0
 13 10  1  0  0  0  0
 14 11  1  0  0  0  0
 15  5  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  2  0  0  0  0
 18 13  1  0  0  0  0
 19 14  1  0  0  0  0
 20 15  1  0  0  0  0
 21 12  1  0  0  0  0
 22 27  1  0  0  0  0
 23 20  1  0  0  0  0
 24 23  1  0  0  0  0
 25 18  1  0  0  0  0
 26 19  1  0  0  0  0
 27 21  2  0  0  0  0
 28 24  1  0  0  0  0
 29 24  1  0  0  0  0
  7  3  1  0  0  0  0
  6  9  1  0  0  0  0
 13 14  2  0  0  0  0
 22 16  2  0  0  0  0
M  END
>  <Mol_ID> (3,822)
3822

>  <Formula> (3,822)
C21H24N6O2

>  <MolWeight> (3,822)
392.45426

>  <COMPOUND_NAME> (3,822)
WAY-333371

>  <BAR_CODE_NO> (3,822)
308372

$$$$
WAY-624940
csChFnd80/06171916322D

 26 30  0  0  0  0  0  0  0  0999 V2000
    1.3875    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167    0.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7083    0.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042    0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042    1.5208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0542   -0.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3875    1.2708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1958    1.5208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1958    0.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0542   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9750    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9750    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8417    0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8417   -1.1167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3500   -0.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3250   -0.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3875   -1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6958    1.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6958    0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583   -0.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000   -1.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4083    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4083    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6417   -1.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7125   -1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1625   -2.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  2  0  0  0  0
  5  7  1  0  0  0  0
  6  1  1  0  0  0  0
  7  1  1  0  0  0  0
  8  3  2  0  0  0  0
  9  3  1  0  0  0  0
 10  6  2  0  0  0  0
 11  8  1  0  0  0  0
 12  9  1  0  0  0  0
 13  6  1  0  0  0  0
 14 10  1  0  0  0  0
 15  4  1  0  0  0  0
 16 13  2  0  0  0  0
 17 10  1  0  0  0  0
 18 11  1  0  0  0  0
 19 12  1  0  0  0  0
 20 15  1  0  0  0  0
 21 15  2  0  0  0  0
 22 19  2  0  0  0  0
 23 18  2  0  0  0  0
 24 21  1  0  0  0  0
 25 20  2  0  0  0  0
 26 24  2  0  0  0  0
  2  5  2  0  0  0  0
 16 14  1  0  0  0  0
 26 25  1  0  0  0  0
 12 11  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (3,823)
3823

>  <Formula> (3,823)
C21H16N4O

>  <MolWeight> (3,823)
340.37794

>  <COMPOUND_NAME> (3,823)
WAY-624940

>  <BAR_CODE_NO> (3,823)
90459120

$$$$
WAY-344737
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
   11.7917   -5.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7167   -5.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6792   -6.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0542   -4.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.7417   -5.8667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7792   -4.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6792   -7.3417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7042   -4.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4125   -6.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7542   -7.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9292   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9792   -4.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3750   -6.9375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6917   -3.7167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8542   -4.0667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3542   -3.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3792   -5.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5542   -5.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6792   -5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5125   -3.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2375   -4.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2542   -5.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5292   -6.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2167   -8.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3417   -8.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  2  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  6  1  0  0  0  0
  9  5  1  0  0  0  0
 10  7  1  0  0  0  0
 11  4  1  0  0  0  0
 12 18  1  0  0  0  0
 13  2  1  0  0  0  0
 14  6  2  0  0  0  0
 15 12  2  0  0  0  0
 16 11  1  0  0  0  0
 17 11  2  0  0  0  0
 18 19  1  0  0  0  0
 19 22  2  0  0  0  0
 20 12  1  0  0  0  0
 21 16  2  0  0  0  0
 22 17  1  0  0  0  0
 23  9  1  0  0  0  0
 24 10  1  0  0  0  0
 25 24  2  0  0  0  0
 26 23  2  0  0  0  0
  8  4  1  0  0  0  0
 10  9  2  0  0  0  0
 26 25  1  0  0  0  0
 21 19  1  0  0  0  0
M  END
>  <Mol_ID> (3,824)
3824

>  <Formula> (3,824)
C19H16N4O3

>  <MolWeight> (3,824)
348.35534

>  <COMPOUND_NAME> (3,824)
WAY-344737

>  <BAR_CODE_NO> (3,824)
90455373

$$$$
SD-18151
csChFnd80/06171916322D

 15 17  0  0  0  0  0  0  0  0999 V2000
   -1.7735   -0.5497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2564    0.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1912   -0.6454    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7296   -1.7449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0899    1.8070    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7526    1.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1817    0.8987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2641   -1.4628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7757    0.0191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6636    1.4389    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6866    0.2534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2163    0.5497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1847   -1.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3645   -1.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5453   -0.3585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  6  9  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
  5  7  2  0  0  0  0
  8  9  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (3,825)
3825

>  <Formula> (3,825)
C11H11N3O

>  <MolWeight> (3,825)
201.22454

>  <COMPOUND_NAME> (3,825)
SD-18151

>  <BAR_CODE_NO> (3,825)
90461705

$$$$
WAY-615922
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
   -0.9042    0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0792    0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3875    1.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3875   -0.2750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3333    1.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3333   -0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1750    0.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1750   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1583    1.1083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0792    1.8208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0792   -1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5708    1.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0458    1.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3958    1.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9042   -2.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8708    1.8208    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.3333   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9042   -1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6333    1.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6333    2.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8083    1.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8083    2.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0792   -2.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3167   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3167   -3.1792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8875    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8875   -0.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9042   -3.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3167   -4.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6042   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6042    0.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  2  2  0  0  0  0
  7  3  1  0  0  0  0
  8  4  1  0  0  0  0
  9  5  1  0  0  0  0
 10  5  2  0  0  0  0
 11  6  1  0  0  0  0
 12  9  1  0  0  0  0
 13 20  2  0  0  0  0
 14 12  1  0  0  0  0
 15 24  2  0  0  0  0
 16 13  1  0  0  0  0
 17 11  1  0  0  0  0
 18 11  2  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 14  1  0  0  0  0
 22 14  2  0  0  0  0
 23 17  2  0  0  0  0
 24 18  1  0  0  0  0
 25 15  1  0  0  0  0
 26  7  1  0  0  0  0
 27  8  1  0  0  0  0
 28 25  1  0  0  0  0
 29 28  1  0  0  0  0
 30 27  2  0  0  0  0
 31 26  2  0  0  0  0
  7  8  2  0  0  0  0
 31 30  1  0  0  0  0
 15 23  1  0  0  0  0
 19 13  1  0  0  0  0
M  END
>  <Mol_ID> (3,826)
3826

>  <Formula> (3,826)
C25H22FN3O2

>  <MolWeight> (3,826)
415.4594832

>  <COMPOUND_NAME> (3,826)
WAY-615922

>  <BAR_CODE_NO> (3,826)
90449897

$$$$
WAY-642975
csChFnd80/06171916322D

 22 25  0  0  0  0  0  0  0  0999 V2000
   -0.8708   -1.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3583   -1.9917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458   -1.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3583   -0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1458   -1.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667   -0.6167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1458   -0.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1917    0.8125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1917   -0.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667   -2.0417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667    0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042    1.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9250   -1.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9250   -0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4125   -1.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4292    1.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1917    2.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042    2.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8417    2.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4292    2.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8 12  1  0  0  0  0
  9  6  1  0  0  0  0
 10  6  1  0  0  0  0
 11  3  2  0  0  0  0
 12 10  1  0  0  0  0
 13  9  1  0  0  0  0
 14  8  1  0  0  0  0
 15  5  1  0  0  0  0
 16  7  1  0  0  0  0
 17 16  1  0  0  0  0
 18 14  1  0  0  0  0
 19 14  2  0  0  0  0
 20 19  1  0  0  0  0
 21 18  2  0  0  0  0
 22 20  2  0  0  0  0
  5  7  2  0  0  0  0
 17 15  1  0  0  0  0
  8 13  1  0  0  0  0
 22 21  1  0  0  0  0
M  END
>  <Mol_ID> (3,827)
3827

>  <Formula> (3,827)
C18H20N2OS

>  <MolWeight> (3,827)
312.4292

>  <COMPOUND_NAME> (3,827)
WAY-642975

>  <BAR_CODE_NO> (3,827)
90477542

$$$$
WAY-643100
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.7625    0.9708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7625    2.3083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2417    1.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0250    1.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0250    2.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4625   -0.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0167    0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7167   -1.2125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3458   -0.2542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667   -1.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667    1.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7375    0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7375    2.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6458   -1.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167   -2.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4583    1.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4583    2.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333   -3.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1958   -2.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9375   -3.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  7  1  0  0  0  0
  7  1  1  0  0  0  0
  8  6  1  0  0  0  0
  9  6  2  0  0  0  0
 10  8  1  0  0  0  0
 11  3  1  0  0  0  0
 12  4  1  0  0  0  0
 13  5  1  0  0  0  0
 14 10  1  0  0  0  0
 15 10  2  0  0  0  0
 16 12  2  0  0  0  0
 17 16  1  0  0  0  0
 18 15  1  0  0  0  0
 19 14  2  0  0  0  0
 20 18  2  0  0  0  0
  5  2  1  0  0  0  0
 17 13  2  0  0  0  0
 20 19  1  0  0  0  0
M  END
>  <Mol_ID> (3,828)
3828

>  <Formula> (3,828)
C16H15N3O

>  <MolWeight> (3,828)
265.3098

>  <COMPOUND_NAME> (3,828)
WAY-643100

>  <BAR_CODE_NO> (3,828)
90477669

$$$$
WAY-641966
csChFnd80/06171916322D

 24 27  0  0  0  0  0  0  0  0999 V2000
    0.2667    0.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4500   -0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667    1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4500    1.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1625    0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1625    1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4500   -0.8750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667   -3.7625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667   -1.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8833   -0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667   -2.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8833    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4500   -3.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792   -3.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6917    1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792    2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4500   -2.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792   -2.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5958    0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5958    1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6917    2.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4042    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4042    2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  2  2  0  0  0  0
  6  4  2  0  0  0  0
  7  2  1  0  0  0  0
  8  3  1  0  0  0  0
  9 15  2  0  0  0  0
 10  7  1  0  0  0  0
 11  5  1  0  0  0  0
 12 10  1  0  0  0  0
 13  6  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16  8  1  0  0  0  0
 17  8  2  0  0  0  0
 18 12  1  0  0  0  0
 19 12  2  0  0  0  0
 20 11  2  0  0  0  0
 21 13  2  0  0  0  0
 22 17  1  0  0  0  0
 23 16  2  0  0  0  0
 24 22  2  0  0  0  0
  5  6  1  0  0  0  0
 24 23  1  0  0  0  0
 20 21  1  0  0  0  0
  9 14  1  0  0  0  0
M  END
>  <Mol_ID> (3,829)
3829

>  <Formula> (3,829)
C20H16N4

>  <MolWeight> (3,829)
312.36784

>  <COMPOUND_NAME> (3,829)
WAY-641966

>  <BAR_CODE_NO> (3,829)
90476519

$$$$
WAY-623944
csChFnd80/06171916322D

 31 35  0  0  0  0  0  0  0  0999 V2000
    1.3792   -4.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5583    3.7083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917   -3.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5583    2.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708    3.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292   -4.8167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4875   -3.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458    3.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458    2.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0750   -4.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9292   -5.0917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542   -2.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6375   -2.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    2.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208    1.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4500    0.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125   -5.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5167   -5.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9375    0.7708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6000    1.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542   -2.1542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708    0.1958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3000   -1.3167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792    2.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000    4.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7875   -0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0583    3.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0583    2.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583    5.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7708    3.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7708    2.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  1  2  0  0  0  0
  4 15  1  0  0  0  0
  5 14  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  9  2  0  0  0  0
  9  4  1  0  0  0  0
 10  6  1  0  0  0  0
 11  1  1  0  0  0  0
 12  7  1  0  0  0  0
 13 12  1  0  0  0  0
 14 24  2  0  0  0  0
 15 20  2  0  0  0  0
 16 26  1  0  0  0  0
 17  6  1  0  0  0  0
 18 11  1  0  0  0  0
 19 16  1  0  0  0  0
 20 19  1  0  0  0  0
 21 13  2  0  0  0  0
 22 16  2  0  0  0  0
 23 13  1  0  0  0  0
 24 20  1  0  0  0  0
 25  2  1  0  0  0  0
 26 23  1  0  0  0  0
 27  8  1  0  0  0  0
 28  9  1  0  0  0  0
 29 25  1  0  0  0  0
 30 31  1  0  0  0  0
 31 28  2  0  0  0  0
 18 17  2  0  0  0  0
 10  7  2  0  0  0  0
  5  4  2  0  0  0  0
  8  2  1  0  0  0  0
 30 27  2  0  0  0  0
M  END
>  <Mol_ID> (3,830)
3830

>  <Formula> (3,830)
C23H20N4O3S

>  <MolWeight> (3,830)
432.4949

>  <COMPOUND_NAME> (3,830)
WAY-623944

>  <BAR_CODE_NO> (3,830)
90458117

$$$$
WAY-643568
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
    0.6542   -1.6667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042   -2.2792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042   -1.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333    3.9250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333    5.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2583   -0.6125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667   -1.1125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417   -2.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208    4.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833    3.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000    0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7000   -1.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542    4.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9542   -3.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3625   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5500    0.7875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958    2.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333    2.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2958    1.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958    0.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458    2.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4875    1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167   -2.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5042   -3.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1500   -3.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5667   -2.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1083   -4.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542   -4.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417   -4.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4 10  1  0  0  0  0
  5  9  2  0  0  0  0
  6 12  1  0  0  0  0
  7  1  2  0  0  0  0
  8  1  2  0  0  0  0
  9  4  1  0  0  0  0
 10 19  1  0  0  0  0
 11 21  1  0  0  0  0
 12  3  2  0  0  0  0
 13  4  1  0  0  0  0
 14 13  2  0  0  0  0
 15  2  1  0  0  0  0
 16  3  1  0  0  0  0
 17 11  1  0  0  0  0
 18 22  1  0  0  0  0
 19 23  2  0  0  0  0
 20 17  1  0  0  0  0
 21 16  2  0  0  0  0
 22 20  2  0  0  0  0
 23 20  1  0  0  0  0
 24  2  1  0  0  0  0
 25 15  2  0  0  0  0
 26 15  1  0  0  0  0
 27 24  1  0  0  0  0
 28 26  2  0  0  0  0
 29 25  1  0  0  0  0
 30 28  1  0  0  0  0
 11  6  2  0  0  0  0
 30 29  2  0  0  0  0
 10 18  2  0  0  0  0
  5 14  1  0  0  0  0
M  END
>  <Mol_ID> (3,831)
3831

>  <Formula> (3,831)
C22H20N4O3S

>  <MolWeight> (3,831)
420.4842

>  <COMPOUND_NAME> (3,831)
WAY-643568

>  <BAR_CODE_NO> (3,831)
90478140

$$$$
WAY-663484
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -2.4655   -1.0865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4655   -0.2624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6793   -1.3382    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1759   -1.5003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6793   -0.0072    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1759    0.1514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000   -0.6762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8931   -1.0865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8931   -0.2624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3759   -0.6831    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0345    0.0307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8690    0.0307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3759    0.7411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2724    0.7411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1103    0.7411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5241    1.4618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5241    0.0307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3483    1.4618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3483    0.0307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7621    0.7411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5862    0.7411    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  6  9  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
  5  7  2  0  0  0  0
  8  9  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (3,832)
3832

>  <Formula> (3,832)
C15H12ClN3O2

>  <MolWeight> (3,832)
301.72768

>  <COMPOUND_NAME> (3,832)
WAY-663484

>  <BAR_CODE_NO> (3,832)
90498232

$$$$
WAY-329613
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -5.8333    6.0917    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -5.8333    4.1250    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -7.5167    7.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1958    4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1958    6.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5167    3.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1333    3.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1125    7.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9208    1.2125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9167    3.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5167    9.0500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3250    3.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0250    0.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1000    9.0417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333    2.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9167    1.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5917    4.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4083    6.0917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -14.3000    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5792    0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.2792    3.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0000    0.2333    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7083    7.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917    6.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  5  2  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  2  1  0  0  0  0
  8  1  1  0  0  0  0
  9  7  1  0  0  0  0
 10  4  1  0  0  0  0
 11  3  2  0  0  0  0
 12  7  2  0  0  0  0
 13  9  1  0  0  0  0
 14  8  2  0  0  0  0
 15 12  1  0  0  0  0
 16 10  1  0  0  0  0
 17 10  2  0  0  0  0
 18  8  1  0  0  0  0
 19 21  2  0  0  0  0
 20 16  2  0  0  0  0
 21 17  1  0  0  0  0
 22 19  1  0  0  0  0
 23 18  1  0  0  0  0
 24 23  1  0  0  0  0
  6  4  1  0  0  0  0
 15 13  2  0  0  0  0
 20 19  1  0  0  0  0
M  END
>  <Mol_ID> (3,833)
3833

>  <Formula> (3,833)
C19H17FO3S

>  <MolWeight> (3,833)
344.3998832

>  <COMPOUND_NAME> (3,833)
WAY-329613

>  <BAR_CODE_NO> (3,833)
304614

$$$$
WAY-329364
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
    9.7875   -5.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4917   -4.1792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6917   -3.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7167   -4.4167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1667   -5.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8500   -6.5667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6917   -2.0875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8542   -6.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2875   -3.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9292   -7.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2375   -6.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9292   -8.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2875   -2.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2417   -9.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1667   -8.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4917   -1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5875   -7.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8542   -9.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3042   -8.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9292  -10.4625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3667   -8.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1417   -6.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6667   -8.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4500   -9.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0917   -9.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  5  1  0  0  0  0
  9  2  1  0  0  0  0
 10  6  1  0  0  0  0
 11  8  1  0  0  0  0
 12 11  2  0  0  0  0
 13  9  2  0  0  0  0
 14 18  2  0  0  0  0
 15  8  2  0  0  0  0
 16 13  1  0  0  0  0
 17 10  2  0  0  0  0
 18 15  1  0  0  0  0
 19 12  1  0  0  0  0
 20 14  1  0  0  0  0
 21 10  1  0  0  0  0
 22 17  1  0  0  0  0
 23 17  1  0  0  0  0
 24 19  1  0  0  0  0
 25 21  2  0  0  0  0
 26 25  1  0  0  0  0
  4  3  2  0  0  0  0
  7 16  2  0  0  0  0
 23 26  2  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <Mol_ID> (3,834)
3834

>  <Formula> (3,834)
C20H18N4O2

>  <MolWeight> (3,834)
346.38252

>  <COMPOUND_NAME> (3,834)
WAY-329364

>  <BAR_CODE_NO> (3,834)
304365

$$$$
WAY-332914
csChFnd80/06171916322D

 23 26  0  0  0  0  0  0  0  0999 V2000
    4.3042   -5.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0917   -5.6375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3125   -6.7250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5792   -6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1000   -6.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6625   -8.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5917   -5.4792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0792   -9.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0750   -7.7250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4125   -6.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5917   -7.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9042   -9.2417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8792   -6.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6542   -7.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8292   -7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7417   -9.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8292   -8.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8792   -5.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0667  -10.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3625  -10.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8167   -5.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6417   -5.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0667   -6.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  9  1  0  0  0  0
  7  1  1  0  0  0  0
  8  6  1  0  0  0  0
  9 14  1  0  0  0  0
 10  4  1  0  0  0  0
 11  3  1  0  0  0  0
 12  8  1  0  0  0  0
 13 18  1  0  0  0  0
 14 15  1  0  0  0  0
 15 10  2  0  0  0  0
 16  8  2  0  0  0  0
 17  6  2  0  0  0  0
 18  7  2  0  0  0  0
 19 12  1  0  0  0  0
 20 16  1  0  0  0  0
 21 10  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
  4  5  2  0  0  0  0
 13 11  2  0  0  0  0
 23 14  2  0  0  0  0
 20 19  2  0  0  0  0
M  END
>  <Mol_ID> (3,835)
3835

>  <Formula> (3,835)
C17H12N4O2

>  <MolWeight> (3,835)
304.30278

>  <COMPOUND_NAME> (3,835)
WAY-332914

>  <BAR_CODE_NO> (3,835)
307915

$$$$
WAY-332928
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -3.0375    3.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2583    3.5333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0333    2.4583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7708    2.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500    2.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3000    0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042    1.4583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    3.6875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2917    2.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125    0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458    2.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333    2.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    2.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5292   -0.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4583    2.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042    2.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5250    0.7333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792   -0.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4583    3.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7000   -0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458    3.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917   -1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792    3.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5250    2.8958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9292    3.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  7  1  0  0  0  0
  7  9  1  0  0  0  0
  8  1  1  0  0  0  0
  9 12  1  0  0  0  0
 10  6  1  0  0  0  0
 11  4  1  0  0  0  0
 12 11  2  0  0  0  0
 13  3  1  0  0  0  0
 14 10  1  0  0  0  0
 15 19  1  0  0  0  0
 16 23  1  0  0  0  0
 17  6  2  0  0  0  0
 18 10  2  0  0  0  0
 19  8  2  0  0  0  0
 20 14  1  0  0  0  0
 21 11  1  0  0  0  0
 22 18  1  0  0  0  0
 23 21  2  0  0  0  0
 24 16  1  0  0  0  0
 25 24  1  0  0  0  0
  4  5  2  0  0  0  0
 15 13  2  0  0  0  0
 16  9  2  0  0  0  0
 22 20  2  0  0  0  0
M  END
>  <Mol_ID> (3,836)
3836

>  <Formula> (3,836)
C18H14N4O3

>  <MolWeight> (3,836)
334.32876

>  <COMPOUND_NAME> (3,836)
WAY-332928

>  <BAR_CODE_NO> (3,836)
307929

$$$$
WAY-643848
csChFnd80/06171916322D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -0.4583    0.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042   -0.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458   -0.3792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7792   -0.4250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667    0.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0875    0.2458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458    0.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    0.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0875   -1.0917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8667   -0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8667   -0.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7792    1.0083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    1.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5375   -1.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    0.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  2  0  0  0  0
  7  1  2  0  0  0  0
  8  3  1  0  0  0  0
  9  7  1  0  0  0  0
 10  2  1  0  0  0  0
 11  6  1  0  0  0  0
 12 10  1  0  0  0  0
 13  5  2  0  0  0  0
 14  8  1  0  0  0  0
 15  9  1  0  0  0  0
 16 12  1  0  0  0  0
 17 15  1  0  0  0  0
 18 14  1  0  0  0  0
  8  9  2  0  0  0  0
 18 17  1  0  0  0  0
 11 12  2  0  0  0  0
M  END
>  <Mol_ID> (3,837)
3837

>  <Formula> (3,837)
C13H14N2OS2

>  <MolWeight> (3,837)
278.39306

>  <COMPOUND_NAME> (3,837)
WAY-643848

>  <BAR_CODE_NO> (3,837)
90478421

$$$$
WAY-643116
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -0.5083    0.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042    1.2208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083   -0.0167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167   -0.0167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042   -0.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167    0.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208    1.2208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167   -1.6667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042   -1.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208    2.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167   -2.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9375    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6292    1.2208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6292   -1.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6500    2.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042   -2.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6292   -2.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9375    3.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083    3.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042   -3.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6292   -3.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208    3.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167   -4.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5  3  2  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
 10  7  1  0  0  0  0
 11  8  1  0  0  0  0
 12 10  2  0  0  0  0
 13  6  1  0  0  0  0
 14  8  1  0  0  0  0
 15 10  1  0  0  0  0
 16 12  1  0  0  0  0
 17 11  1  0  0  0  0
 18 11  2  0  0  0  0
 19 12  1  0  0  0  0
 20 15  2  0  0  0  0
 21 17  2  0  0  0  0
 22 18  1  0  0  0  0
 23 20  1  0  0  0  0
 24 22  2  0  0  0  0
  6  4  2  0  0  0  0
 23 19  2  0  0  0  0
 24 21  1  0  0  0  0
M  END
>  <Mol_ID> (3,838)
3838

>  <Formula> (3,838)
C18H20N6

>  <MolWeight> (3,838)
320.3916

>  <COMPOUND_NAME> (3,838)
WAY-643116

>  <BAR_CODE_NO> (3,838)
90477685

$$$$
WAY-642424
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -0.0458    0.9083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333    1.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458    2.2458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7375    1.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7375    1.9875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9000   -1.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9875   -0.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000    0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4042    0.6833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042   -2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3583    1.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167   -0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1875   -1.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1792   -2.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7417   -0.2917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0083    1.5750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3542   -2.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2500   -0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083   -0.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8125   -1.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083   -1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3625   -0.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0708   -2.2292    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5958    2.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5958    0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7708    2.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7708    0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  7  1  0  0  0  0
  7 12  1  0  0  0  0
  8  1  1  0  0  0  0
  9  4  1  0  0  0  0
 10  6  1  0  0  0  0
 11  2  1  0  0  0  0
 12  9  1  0  0  0  0
 13  6  2  0  0  0  0
 14 10  1  0  0  0  0
 15  7  2  0  0  0  0
 16 25  2  0  0  0  0
 17 13  1  0  0  0  0
 18  8  1  0  0  0  0
 19  8  2  0  0  0  0
 20 22  2  0  0  0  0
 21 18  2  0  0  0  0
 22 19  1  0  0  0  0
 23 20  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  1  0  0  0  0
 26 11  1  0  0  0  0
 27 11  2  0  0  0  0
  3  5  1  0  0  0  0
 21 20  1  0  0  0  0
 16 24  1  0  0  0  0
 14 17  2  0  0  0  0
M  END
>  <Mol_ID> (3,839)
3839

>  <Formula> (3,839)
C19H14FN5OS

>  <MolWeight> (3,839)
379.4107632

>  <COMPOUND_NAME> (3,839)
WAY-642424

>  <BAR_CODE_NO> (3,839)
90476984

$$$$
WAY-329592
csChFnd80/06171916322D

 30 32  0  0  0  0  0  0  0  0999 V2000
    6.2625   -8.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4125   -7.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0625  -10.4875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.3750   -6.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6125   -5.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7750   -4.9750    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.6875   -8.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3125   -8.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0750   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2625  -14.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2625  -11.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0625  -13.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8625  -12.2875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8500   -9.6875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8000  -12.7250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6625   -5.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3875  -12.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5125   -6.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0625  -13.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5250  -12.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8000  -14.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0750  -10.2250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0625  -16.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3375  -15.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4750  -15.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5500   -6.4875    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   11.5750   -4.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6125   -7.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8500  -11.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6625  -15.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  4  1  0  0  0  0
  8  1  1  0  0  0  0
  9  5  1  0  0  0  0
 10 12  1  0  0  0  0
 11  3  1  0  0  0  0
 12 11  1  0  0  0  0
 13  3  2  0  0  0  0
 14  3  2  0  0  0  0
 15 10  1  0  0  0  0
 16 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18  8  2  0  0  0  0
 19 15  1  0  0  0  0
 20 19  2  0  0  0  0
 21 24  1  0  0  0  0
 22  7  2  0  0  0  0
 23 10  2  0  0  0  0
 24 25  2  0  0  0  0
 25 19  1  0  0  0  0
 26 18  1  0  0  0  0
 27  6  1  0  0  0  0
 28  7  1  0  0  0  0
 29 17  1  0  0  0  0
 30 21  1  0  0  0  0
  5 16  2  0  0  0  0
  6  9  1  0  0  0  0
 21 17  2  0  0  0  0
M  END
>  <Mol_ID> (3,840)
3840

>  <Formula> (3,840)
C22H25BrN2O4S

>  <MolWeight> (3,840)
493.4139

>  <COMPOUND_NAME> (3,840)
WAY-329592

>  <BAR_CODE_NO> (3,840)
304593

$$$$
WAY-332270
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   12.9500   -4.4250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.1500   -4.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7625   -4.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.8500   -5.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3125   -6.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9500   -5.3750    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.1250   -6.3875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1375   -5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5250   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9000   -3.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9625   -5.8625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -5.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8500   -3.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9875   -3.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3500   -7.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8875   -7.4375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7625   -8.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1125   -8.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2000   -3.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7625   -6.4000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.3250   -9.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5250   -9.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3875   -4.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0125   -3.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7500  -10.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  6  1  0  0  0  0
  6  8  1  0  0  0  0
  7  5  1  0  0  0  0
  8  3  1  0  0  0  0
  9  7  1  0  0  0  0
 10  1  2  0  0  0  0
 11  1  2  0  0  0  0
 12  4  2  0  0  0  0
 13  2  2  0  0  0  0
 14 13  1  0  0  0  0
 15  9  2  0  0  0  0
 16  5  2  0  0  0  0
 17 15  1  0  0  0  0
 18  9  1  0  0  0  0
 19  3  1  0  0  0  0
 20 15  1  0  0  0  0
 21 22  1  0  0  0  0
 22 18  2  0  0  0  0
 23 24  1  0  0  0  0
 24 19  1  0  0  0  0
 25 21  1  0  0  0  0
 14 12  1  0  0  0  0
 23  6  1  0  0  0  0
 17 21  2  0  0  0  0
M  END
>  <Mol_ID> (3,841)
3841

>  <Formula> (3,841)
C16H19BrN4O3S

>  <MolWeight> (3,841)
427.31606

>  <COMPOUND_NAME> (3,841)
WAY-332270

>  <BAR_CODE_NO> (3,841)
307271

$$$$
WAY-331228
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
    3.6302    5.4939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6369    4.1028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4180    3.4006    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    5.4939    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9463    5.9422    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    4.0962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4180    6.2204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9640    3.6788    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7788    4.8182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8788    3.6258    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1788    4.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3747    7.2803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3940    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4180    7.6072    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4340    8.2939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2788    3.6258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9810    2.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2964    1.2101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8558    9.6320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4180    2.0050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.1961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1921    2.4025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8943    1.1902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0628    7.9958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3832    2.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9942    0.0066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1198    9.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7618    8.7179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0810    1.2322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4053    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  7  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  5  1  0  0  0  0
 10 11  1  0  0  0  0
 11  9  1  0  0  0  0
 12  5  1  0  0  0  0
 13  6  2  0  0  0  0
 14  7  2  0  0  0  0
 15 12  1  0  0  0  0
 16 10  1  0  0  0  0
 17 16  1  0  0  0  0
 18 23  1  0  0  0  0
 19 15  2  0  0  0  0
 20  3  1  0  0  0  0
 21  4  1  0  0  0  0
 22 10  1  0  0  0  0
 23 22  1  0  0  0  0
 24 15  1  0  0  0  0
 25 17  1  0  0  0  0
 26 18  1  0  0  0  0
 27 24  1  0  0  0  0
 28 27  1  0  0  0  0
 29 25  2  0  0  0  0
 30 26  2  0  0  0  0
  9  8  2  0  0  0  0
  6  3  1  0  0  0  0
 18 17  2  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (3,842)
3842

>  <Formula> (3,842)
C21H25N5O4

>  <MolWeight> (3,842)
411.4543

>  <COMPOUND_NAME> (3,842)
WAY-331228

>  <BAR_CODE_NO> (3,842)
306229

$$$$
WAY-330241
csChFnd80/06171916322D

 30 34  0  0  0  0  0  0  0  0999 V2000
    8.7515    8.9629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0385    8.5498    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3254    8.9629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7515    9.7891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3323    9.7891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5339    8.7137    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6192    8.5544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0231    9.3783    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0454   10.2021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6192   10.2091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9107    9.7891    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9107    8.9629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5385   10.0429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0385    7.7260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3254    7.3175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7900    7.9244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7515    7.3152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6192   11.0329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    8.5498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3115    6.4913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7515    6.4867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0246    6.0760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7969   10.8275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6123    7.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5908    7.7514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2338    7.3152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0246    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8538    6.9760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4900    6.5260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2954    6.3529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  2  0  0  0  0
  5  9  2  0  0  0  0
  6  1  1  0  0  0  0
  7  3  2  0  0  0  0
  8  6  1  0  0  0  0
  9  4  1  0  0  0  0
 10  5  1  0  0  0  0
 11 10  1  0  0  0  0
 12  7  1  0  0  0  0
 13  4  1  0  0  0  0
 14  2  1  0  0  0  0
 15 14  1  0  0  0  0
 16  6  1  0  0  0  0
 17 14  2  0  0  0  0
 18 10  2  0  0  0  0
 19 12  2  0  0  0  0
 20 15  2  0  0  0  0
 21 17  1  0  0  0  0
 22 21  2  0  0  0  0
 23 13  1  0  0  0  0
 24 15  1  0  0  0  0
 25 16  1  0  0  0  0
 26 16  2  0  0  0  0
 27 22  1  0  0  0  0
 28 25  2  0  0  0  0
 29 26  1  0  0  0  0
 30 29  2  0  0  0  0
 13  8  2  0  0  0  0
  5  3  1  0  0  0  0
 11 12  1  0  0  0  0
 30 28  1  0  0  0  0
 22 20  1  0  0  0  0
M  END
>  <Mol_ID> (3,843)
3843

>  <Formula> (3,843)
C23H19N5O2

>  <MolWeight> (3,843)
397.42926

>  <COMPOUND_NAME> (3,843)
WAY-330241

>  <BAR_CODE_NO> (3,843)
305242

$$$$
WAY-333939
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -2.3375    1.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3458    2.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1333    2.9083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6125    2.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6333    1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1208    1.5708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6333    3.0708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208    1.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208    2.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6250    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3875    3.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4375    2.2333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9125    0.1833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083    3.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8458    4.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1958    3.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3458    0.1833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1000    5.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4583    4.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9000    5.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917    2.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208    3.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1583    6.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042    4.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042    3.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    3.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  6  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  5  2  0  0  0  0
  9  8  1  0  0  0  0
 10  5  1  0  0  0  0
 11  3  1  0  0  0  0
 12  4  2  0  0  0  0
 13 10  2  0  0  0  0
 14  9  1  0  0  0  0
 15 11  2  0  0  0  0
 16 11  1  0  0  0  0
 17 10  1  0  0  0  0
 18 15  1  0  0  0  0
 19 16  2  0  0  0  0
 20 19  1  0  0  0  0
 21 14  1  0  0  0  0
 22 14  1  0  0  0  0
 23 20  1  0  0  0  0
 24 22  1  0  0  0  0
 25 21  1  0  0  0  0
 26 24  1  0  0  0  0
  4  3  1  0  0  0  0
  9  7  2  0  0  0  0
 20 18  2  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (3,844)
3844

>  <Formula> (3,844)
C19H21N5O2

>  <MolWeight> (3,844)
351.40234

>  <COMPOUND_NAME> (3,844)
WAY-333939

>  <BAR_CODE_NO> (3,844)
308940

$$$$
WAY-333908
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -2.3375    1.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3458    2.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1333    2.9083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6125    2.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6333    1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1208    1.5708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6333    3.0708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208    1.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208    2.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6250    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083    3.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3875    3.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4375    2.2333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9125    0.1833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042    4.2917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3458    0.1833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083    3.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042    2.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    3.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8458    4.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1958    3.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    3.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4583    4.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1000    5.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9000    5.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  6  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  5  2  0  0  0  0
  9  8  1  0  0  0  0
 10  5  1  0  0  0  0
 11  9  1  0  0  0  0
 12  3  1  0  0  0  0
 13  4  2  0  0  0  0
 14 10  2  0  0  0  0
 15 17  2  0  0  0  0
 16 10  1  0  0  0  0
 17 11  1  0  0  0  0
 18 11  2  0  0  0  0
 19 22  2  0  0  0  0
 20 12  2  0  0  0  0
 21 12  1  0  0  0  0
 22 18  1  0  0  0  0
 23 21  2  0  0  0  0
 24 20  1  0  0  0  0
 25 23  1  0  0  0  0
  4  3  1  0  0  0  0
  9  7  2  0  0  0  0
 25 24  2  0  0  0  0
 15 19  1  0  0  0  0
M  END
>  <Mol_ID> (3,845)
3845

>  <Formula> (3,845)
C17H12N6O2

>  <MolWeight> (3,845)
332.31618

>  <COMPOUND_NAME> (3,845)
WAY-333908

>  <BAR_CODE_NO> (3,845)
308909

$$$$
WAY-278540
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -2.1125    1.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6500    1.2208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3708    1.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2958    1.8208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1125    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2333    0.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708    1.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5125    2.5208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0333    0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3125    2.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8500    1.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2292    1.1625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4125    0.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4042    1.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0500    1.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2958    0.4208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667    1.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667    0.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4125   -0.5000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.5875    1.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1875    1.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667    0.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  4  1  0  0  0  0
  8  1  1  0  0  0  0
  9  6  1  0  0  0  0
 10  8  1  0  0  0  0
 11  5  2  0  0  0  0
 12 14  3  0  0  0  0
 13 11  1  0  0  0  0
 14 20  1  0  0  0  0
 15  7  1  0  0  0  0
 16  7  2  0  0  0  0
 17 15  1  0  0  0  0
 18 15  2  0  0  0  0
 19  9  1  0  0  0  0
 20 22  2  0  0  0  0
 21 17  2  0  0  0  0
 22 18  1  0  0  0  0
 10  3  2  0  0  0  0
 21 20  1  0  0  0  0
 13  9  2  0  0  0  0
M  END
>  <Mol_ID> (3,846)
3846

>  <Formula> (3,846)
C15H8BrN3OS2

>  <MolWeight> (3,846)
390.27752

>  <COMPOUND_NAME> (3,846)
WAY-278540

>  <BAR_CODE_NO> (3,846)
389194

$$$$
WAY-333945
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -2.3375    1.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3458    2.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1333    2.9083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6125    2.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6333    1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1208    1.5708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6333    3.0708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208    1.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208    2.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6250    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083    3.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3875    3.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417    2.7333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4375    2.2333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1125    3.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1000    3.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9125    0.1833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6917    4.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8458    4.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1958    3.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3458    0.1833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1000    5.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4583    4.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9000    5.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1583    6.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  6  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  5  2  0  0  0  0
  9  8  1  0  0  0  0
 10  5  1  0  0  0  0
 11  9  1  0  0  0  0
 12  3  1  0  0  0  0
 13 11  1  0  0  0  0
 14  4  2  0  0  0  0
 15 11  2  0  0  0  0
 16 13  1  0  0  0  0
 17 10  2  0  0  0  0
 18 15  1  0  0  0  0
 19 12  2  0  0  0  0
 20 12  1  0  0  0  0
 21 10  1  0  0  0  0
 22 19  1  0  0  0  0
 23 20  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
  4  3  1  0  0  0  0
  9  7  2  0  0  0  0
 16 18  2  0  0  0  0
 24 22  2  0  0  0  0
M  END
>  <Mol_ID> (3,847)
3847

>  <Formula> (3,847)
C17H13N5O2S

>  <MolWeight> (3,847)
351.38242

>  <COMPOUND_NAME> (3,847)
WAY-333945

>  <BAR_CODE_NO> (3,847)
308946

$$$$
WAY-331123
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   10.6875   -6.0750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.0750   -7.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3125   -4.9875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8250   -7.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5250   -2.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9625   -2.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6125   -5.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7750   -6.6875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4375   -8.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4500   -8.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7000   -3.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4750   -4.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4500   -9.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.1250   -2.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0500   -3.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2875   -2.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3500   -1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9625    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7250   -1.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1500   -0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -1.0875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.4000   -1.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5 15  1  0  0  0  0
  6  5  1  0  0  0  0
  7  1  2  0  0  0  0
  8  1  2  0  0  0  0
  9  4  2  0  0  0  0
 10  2  2  0  0  0  0
 11  3  1  0  0  0  0
 12  3  1  0  0  0  0
 13 10  1  0  0  0  0
 14  6  2  0  0  0  0
 15 12  1  0  0  0  0
 16 11  1  0  0  0  0
 17  6  1  0  0  0  0
 18 17  2  0  0  0  0
 19 14  1  0  0  0  0
 20 18  1  0  0  0  0
 21 19  1  0  0  0  0
 22 17  1  0  0  0  0
 16  5  1  0  0  0  0
 13  9  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (3,848)
3848

>  <Formula> (3,848)
C14H17ClN4O2S

>  <MolWeight> (3,848)
340.82838

>  <COMPOUND_NAME> (3,848)
WAY-331123

>  <BAR_CODE_NO> (3,848)
306124

$$$$
WAY-278720
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.0458    0.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5625   -0.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2458    0.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.3708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208   -0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3625   -0.7875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208    1.0125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0625   -0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458    0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3625    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0625    0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8167   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   -0.9042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917   -0.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6708   -0.9667    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.9375   -0.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3375   -1.5667    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917    0.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9375    0.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3167   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  4  1  0  0  0  0
  8  1  1  0  0  0  0
  9  6  1  0  0  0  0
 10  8  1  0  0  0  0
 11  5  2  0  0  0  0
 12 11  1  0  0  0  0
 13  7  1  0  0  0  0
 14  7  2  0  0  0  0
 15 13  2  0  0  0  0
 16  9  1  0  0  0  0
 17 15  1  0  0  0  0
 18 17  1  0  0  0  0
 19 13  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 10  3  2  0  0  0  0
 12  9  2  0  0  0  0
 17 21  2  0  0  0  0
M  END
>  <Mol_ID> (3,849)
3849

>  <Formula> (3,849)
C14H8BrFN2OS2

>  <MolWeight> (3,849)
383.2585232

>  <COMPOUND_NAME> (3,849)
WAY-278720

>  <BAR_CODE_NO> (3,849)
389375

$$$$
WAY-278873
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
    4.8667    4.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9792    5.7917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9792    3.4208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5542    3.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5542    5.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9792    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1500    4.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3042    2.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3000    3.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667    3.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667    6.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4500    4.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3000    2.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9792    1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3042    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4500    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6000    3.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6000    2.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  2  0  0  0  0
  8  3  1  0  0  0  0
  9  7  1  0  0  0  0
 10  4  2  0  0  0  0
 11  5  2  0  0  0  0
 12  9  1  0  0  0  0
 13  9  2  0  0  0  0
 14  8  1  0  0  0  0
 15 10  1  0  0  0  0
 16 11  1  0  0  0  0
 17 14  1  0  0  0  0
 18 13  1  0  0  0  0
 19 12  2  0  0  0  0
 20 18  2  0  0  0  0
  5  4  1  0  0  0  0
 16 15  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (3,850)
3850

>  <Formula> (3,850)
C18H18N2

>  <MolWeight> (3,850)
262.34892

>  <COMPOUND_NAME> (3,850)
WAY-278873

>  <BAR_CODE_NO> (3,850)
389528

$$$$
WAY-643417
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -0.3625    1.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3500    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458    0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3625    1.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6333    1.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3500   -0.0792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458    2.2333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667    1.1583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3500    2.3958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4917   -1.3167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4083    0.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667   -0.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667    1.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667   -1.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792   -0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4917   -0.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792   -1.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8500   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2083   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9125   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4625   -0.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083   -1.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708   -2.2417    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.3625   -0.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2042   -1.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  2  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8  2  1  0  0  0  0
  9  4  2  0  0  0  0
 10 16  1  0  0  0  0
 11  3  1  0  0  0  0
 12  6  1  0  0  0  0
 13  9  1  0  0  0  0
 14 12  1  0  0  0  0
 15 12  1  0  0  0  0
 16 15  1  0  0  0  0
 17 14  1  0  0  0  0
 18 11  2  0  0  0  0
 19 11  1  0  0  0  0
 20 21  1  0  0  0  0
 21 19  2  0  0  0  0
 22 18  1  0  0  0  0
 23 20  1  0  0  0  0
 24  6  1  0  0  0  0
 25 10  1  0  0  0  0
  5  7  1  0  0  0  0
 13  8  2  0  0  0  0
 20 22  2  0  0  0  0
 10 17  1  0  0  0  0
M  END
>  <Mol_ID> (3,851)
3851

>  <Formula> (3,851)
C19H21BrN4S

>  <MolWeight> (3,851)
417.36584

>  <COMPOUND_NAME> (3,851)
WAY-643417

>  <BAR_CODE_NO> (3,851)
90477989

$$$$
WAY-616530
csChFnd80/06171916322D

 20 23  0  0  0  0  0  0  0  0999 V2000
    0.0833   -0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4000   -0.0250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4000   -1.3583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9083   -0.6917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3208    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9083    0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3208    1.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1458    0.0208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1458    1.4500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7708    2.0625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5583    0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167    1.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042    0.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458   -2.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9000   -1.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9000    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6125   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6125   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  3  1  0  0  0  0
  8  2  1  0  0  0  0
  9  6  1  0  0  0  0
 10  5  1  0  0  0  0
 11 13  1  0  0  0  0
 12  9  1  0  0  0  0
 13 10  2  0  0  0  0
 14 15  2  0  0  0  0
 15  6  1  0  0  0  0
 16  3  1  0  0  0  0
 17  7  1  0  0  0  0
 18  8  1  0  0  0  0
 19 17  2  0  0  0  0
 20 18  2  0  0  0  0
  8  7  2  0  0  0  0
 20 19  1  0  0  0  0
  9 11  2  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <Mol_ID> (3,852)
3852

>  <Formula> (3,852)
C14H10N4S2

>  <MolWeight> (3,852)
298.386

>  <COMPOUND_NAME> (3,852)
WAY-616530

>  <BAR_CODE_NO> (3,852)
90450522

$$$$
WAY-616584
csChFnd80/06171916322D

 22 26  0  0  0  0  0  0  0  0999 V2000
    0.0958    1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3875    1.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2375    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0958    2.6375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8833    1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8833    2.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2083    1.8833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0583    0.4625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2458   -0.1208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0625   -2.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3958   -1.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5417    1.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583   -2.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3958   -3.0500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0875   -0.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9333   -3.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2167   -3.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2458   -1.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083   -0.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6667    1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6667    2.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1500    1.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  2  0  0  0  0
  7  2  1  0  0  0  0
  8  3  2  0  0  0  0
  9  3  1  0  0  0  0
 10 11  1  0  0  0  0
 11 15  2  0  0  0  0
 12  8  1  0  0  0  0
 13 18  1  0  0  0  0
 14 10  1  0  0  0  0
 15  9  1  0  0  0  0
 16 13  1  0  0  0  0
 17 14  1  0  0  0  0
 18 19  2  0  0  0  0
 19 15  1  0  0  0  0
 20  5  1  0  0  0  0
 21  6  1  0  0  0  0
 22 20  1  0  0  0  0
  6  4  1  0  0  0  0
 22 21  1  0  0  0  0
  7 12  2  0  0  0  0
 10 13  2  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (3,853)
3853

>  <Formula> (3,853)
C16H13N3O2S

>  <MolWeight> (3,853)
311.35832

>  <COMPOUND_NAME> (3,853)
WAY-616584

>  <BAR_CODE_NO> (3,853)
90450576

$$$$
WAY-334031
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.0292    2.4250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3125    3.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5250    3.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3125    2.7083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0375    3.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8750    2.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5208    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958    2.4208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1000    3.7958    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042    1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083    3.2583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542    1.5958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0958    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2125    3.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    3.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917    3.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1500    1.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1417    3.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5667    2.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8917    0.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4167    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5 14  1  0  0  0  0
  6  1  1  0  0  0  0
  7  5  2  0  0  0  0
  8  1  1  0  0  0  0
  9  2  1  0  0  0  0
 10  6  2  0  0  0  0
 11  1  2  0  0  0  0
 12  1  2  0  0  0  0
 13  4  1  0  0  0  0
 14  8  1  0  0  0  0
 15 13  2  0  0  0  0
 16  6  1  0  0  0  0
 17 10  1  0  0  0  0
 18 16  2  0  0  0  0
 19 18  1  0  0  0  0
 20 10  1  0  0  0  0
 21 19  1  0  0  0  0
 17 19  2  0  0  0  0
  2  4  1  0  0  0  0
  9 15  1  0  0  0  0
M  END
>  <Mol_ID> (3,854)
3854

>  <Formula> (3,854)
C14H15N3O2S2

>  <MolWeight> (3,854)
321.4178

>  <COMPOUND_NAME> (3,854)
WAY-334031

>  <BAR_CODE_NO> (3,854)
309032

$$$$
WAY-616368
csChFnd80/06171916322D

 18 20  0  0  0  0  0  0  0  0999 V2000
    1.5250   -1.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6167    0.1750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8125   -0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6125   -1.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2792   -0.7250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8125    0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8292   -1.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3333    0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4167   -2.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0958    0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3333    1.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6167    1.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0958    1.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000   -2.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0458    0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0458    1.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7625    0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7625    1.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 10  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  1  1  0  0  0  0
  6  3  2  0  0  0  0
  7  5  1  0  0  0  0
  8  2  1  0  0  0  0
  9  4  1  0  0  0  0
 10  6  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 10  1  0  0  0  0
 14  4  1  0  0  0  0
 15  8  1  0  0  0  0
 16 11  1  0  0  0  0
 17 15  2  0  0  0  0
 18 16  2  0  0  0  0
  9  7  2  0  0  0  0
  8 11  2  0  0  0  0
 18 17  1  0  0  0  0
M  END
>  <Mol_ID> (3,855)
3855

>  <Formula> (3,855)
C16H13NS

>  <MolWeight> (3,855)
251.34612

>  <COMPOUND_NAME> (3,855)
WAY-616368

>  <BAR_CODE_NO> (3,855)
90450355

$$$$
WAY-278617
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
    2.3860   -1.4175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3308   -0.8072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5067   -0.9175    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5170   -2.6348    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2619   -1.4279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3239    0.4307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3239   -1.8210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7136   -2.8762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8036   -0.8175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2515    1.0445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3860    1.0445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5377   -1.8210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3170   -3.9313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8071    0.4204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8692   -1.4279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1446   -2.8727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5412   -3.9313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8726    1.0273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9312   -0.8141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9278    0.4135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9968    1.0342    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0002    2.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0657    2.8652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0761    4.0894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1312    2.2445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0209    4.7135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0381    5.9342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  2  0  0  0  0
 12 16  2  0  0  0  0
 13 17  2  0  0  0  0
 14 18  2  0  0  0  0
 15 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
  7  8  2  0  0  0  0
 10 14  1  0  0  0  0
 16 17  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (3,856)
3856

>  <Formula> (3,856)
C20H15NO5S

>  <MolWeight> (3,856)
381.4018

>  <COMPOUND_NAME> (3,856)
WAY-278617

>  <BAR_CODE_NO> (3,856)
389272

$$$$
WAY-278510
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -2.8625    0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3000    0.0125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3000    0.1708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3625    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7625    0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208   -0.1042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0208    0.8708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5625   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5833    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9625    0.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3000    0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833    0.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4083   -0.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9458   -0.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0208    1.1125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3833   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7458    0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2833    0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1625   -0.4292    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -5.0625   -1.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9208   -0.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6000   -1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0167   -1.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  6  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8  1  1  0  0  0  0
  9  7  1  0  0  0  0
 10  8  1  0  0  0  0
 11  4  2  0  0  0  0
 12  5  1  0  0  0  0
 13 11  1  0  0  0  0
 14 12  2  0  0  0  0
 15 14  1  0  0  0  0
 16  6  2  0  0  0  0
 17 19  1  0  0  0  0
 18 12  1  0  0  0  0
 19 18  2  0  0  0  0
 20  9  1  0  0  0  0
 21 15  1  0  0  0  0
 22 17  1  0  0  0  0
 23 21  1  0  0  0  0
 24 22  1  0  0  0  0
  5 10  2  0  0  0  0
  9 13  2  0  0  0  0
 17 15  2  0  0  0  0
M  END
>  <Mol_ID> (3,857)
3857

>  <Formula> (3,857)
C16H13BrN2O3S2

>  <MolWeight> (3,857)
425.32002

>  <COMPOUND_NAME> (3,857)
WAY-278510

>  <BAR_CODE_NO> (3,857)
389164

$$$$
WAY-663281
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.1958    0.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958    0.0833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9750   -0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4750    1.3875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9750    1.1583    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4625    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2292    1.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2333   -0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8917    1.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042    2.3583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167    0.2333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6833   -1.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0375   -1.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458   -2.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9333   -2.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2958   -1.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2875    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9958   -3.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4792    2.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6500    1.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4458   -3.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2292    2.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3167    1.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7  4  1  0  0  0  0
  8  3  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  2  0  0  0  0
 11  7  2  0  0  0  0
 12  8  1  0  0  0  0
 13  8  2  0  0  0  0
 14 16  2  0  0  0  0
 15 12  2  0  0  0  0
 16 13  1  0  0  0  0
 17  6  1  0  0  0  0
 18 14  1  0  0  0  0
 19 10  1  0  0  0  0
 20  9  1  0  0  0  0
 21 18  1  0  0  0  0
 22 23  1  0  0  0  0
 23 20  2  0  0  0  0
  6  3  2  0  0  0  0
 15 14  1  0  0  0  0
 22 19  2  0  0  0  0
M  END
>  <Mol_ID> (3,858)
3858

>  <Formula> (3,858)
C17H15N3O2S

>  <MolWeight> (3,858)
325.3849

>  <COMPOUND_NAME> (3,858)
WAY-663281

>  <BAR_CODE_NO> (3,858)
90498028

$$$$
WAY-278766
csChFnd80/06171916322D

 13 14  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.1274    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.3993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2370    2.0239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2370    2.0239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3271   -1.1744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3271   -1.1744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7555    3.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7207    1.5463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7712    3.4958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7207    1.5463    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3271   -2.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3271   -2.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
 11 13  2  0  0  0  0
  7  9  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <Mol_ID> (3,859)
3859

>  <Formula> (3,859)
C9H8N2OS

>  <MolWeight> (3,859)
192.23762

>  <COMPOUND_NAME> (3,859)
WAY-278766

>  <BAR_CODE_NO> (3,859)
389421

$$$$
WAY-330390
csChFnd80/06171916322D

 33 37  0  0  0  0  0  0  0  0999 V2000
    6.2250   -7.9625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.2250   -6.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2250   -9.0375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2250  -12.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2875  -12.7875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1500   -6.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4375  -13.8500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1500   -7.9625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2875   -7.9625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0750   -6.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2250  -11.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1500   -9.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2875   -9.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3750  -12.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2875  -13.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4375  -12.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3625  -14.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1500  -12.7875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000  -14.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2875  -10.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1500  -10.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1500   -5.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2875   -6.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2875   -5.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0000   -6.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2250   -4.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5750  -13.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000  -15.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0750   -4.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0000   -5.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6500  -14.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5625  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6500  -15.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4 11  1  0  0  0  0
  5  4  1  0  0  0  0
  6  2  2  0  0  0  0
  7 17  1  0  0  0  0
  8  1  2  0  0  0  0
  9  1  2  0  0  0  0
 10  6  1  0  0  0  0
 11 20  1  0  0  0  0
 12  3  1  0  0  0  0
 13  3  1  0  0  0  0
 14  5  1  0  0  0  0
 15  5  1  0  0  0  0
 16 14  1  0  0  0  0
 17 15  1  0  0  0  0
 18  4  2  0  0  0  0
 19  7  1  0  0  0  0
 20 13  1  0  0  0  0
 21 12  1  0  0  0  0
 22  6  1  0  0  0  0
 23  2  1  0  0  0  0
 24 23  2  0  0  0  0
 25 10  2  0  0  0  0
 26 24  1  0  0  0  0
 27 19  2  0  0  0  0
 28 19  1  0  0  0  0
 29 22  1  0  0  0  0
 30 29  2  0  0  0  0
 31 27  1  0  0  0  0
 32 28  2  0  0  0  0
 33 32  1  0  0  0  0
 21 11  1  0  0  0  0
 26 22  2  0  0  0  0
 30 25  1  0  0  0  0
  7 16  1  0  0  0  0
 31 33  2  0  0  0  0
M  END
>  <Mol_ID> (3,860)
3860

>  <Formula> (3,860)
C25H28N4O3S

>  <MolWeight> (3,860)
464.57982

>  <COMPOUND_NAME> (3,860)
WAY-330390

>  <BAR_CODE_NO> (3,860)
305391

$$$$
WAY-663228
csChFnd80/06171916322D

 18 20  0  0  0  0  0  0  0  0999 V2000
    1.4042    0.0083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9625   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5500   -1.3250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2708    1.1625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7583    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7417   -1.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4875    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4875    0.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7750   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7792   -0.5250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2708   -0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5833    0.4958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7750    1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583    0.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1167    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2667   -1.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  9  1  0  0  0  0
  6 13  1  0  0  0  0
  7  3  2  0  0  0  0
  8 11  1  0  0  0  0
  9 15  1  0  0  0  0
 10  3  1  0  0  0  0
 11 10  2  0  0  0  0
 12  2  1  0  0  0  0
 13  8  1  0  0  0  0
 14  6  2  0  0  0  0
 15 16  2  0  0  0  0
 16 10  1  0  0  0  0
 17 12  1  0  0  0  0
 18 12  1  0  0  0  0
  4  7  1  0  0  0  0
  9  8  2  0  0  0  0
  6  5  1  0  0  0  0
M  END
>  <Mol_ID> (3,861)
3861

>  <Formula> (3,861)
C13H13N3OS

>  <MolWeight> (3,861)
259.32682

>  <COMPOUND_NAME> (3,861)
WAY-663228

>  <BAR_CODE_NO> (3,861)
90497975

$$$$
WAY-334224
csChFnd80/06171916322D

 32 36  0  0  0  0  0  0  0  0999 V2000
   -1.9958    4.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9958    6.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9375    3.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9958    4.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.9375    2.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2958    4.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6458    3.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9375    1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1458    1.2458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458    3.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0958    0.6375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6375    5.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458    5.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458    5.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6375    5.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8333    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9958    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5958    4.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958    2.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2875    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2875    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458    2.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458    2.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6375    7.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458    7.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458    3.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458    8.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6375    8.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9958    8.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 16  1  0  0  0  0
  3  7  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8  5  2  0  0  0  0
  9  4  1  0  0  0  0
 10 23  1  0  0  0  0
 11  6  1  0  0  0  0
 12  4  1  0  0  0  0
 13 10  1  0  0  0  0
 14  1  1  0  0  0  0
 15  1  1  0  0  0  0
 16 15  1  0  0  0  0
 17 14  1  0  0  0  0
 18 11  1  0  0  0  0
 19  2  1  0  0  0  0
 20  3  2  0  0  0  0
 21 24  2  0  0  0  0
 22  5  1  0  0  0  0
 23 22  2  0  0  0  0
 24 12  1  0  0  0  0
 25 12  2  0  0  0  0
 26 29  2  0  0  0  0
 27 19  1  0  0  0  0
 28 19  2  0  0  0  0
 29 25  1  0  0  0  0
 30 28  1  0  0  0  0
 31 27  2  0  0  0  0
 32 30  2  0  0  0  0
  2 17  1  0  0  0  0
 26 21  1  0  0  0  0
 32 31  1  0  0  0  0
  6 10  2  0  0  0  0
 18 13  1  0  0  0  0
M  END
>  <Mol_ID> (3,862)
3862

>  <Formula> (3,862)
C25H26N4O3

>  <MolWeight> (3,862)
430.49894

>  <COMPOUND_NAME> (3,862)
WAY-334224

>  <BAR_CODE_NO> (3,862)
309225

$$$$
WAY-334250
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -4.5083    5.2750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8083    4.5250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9125    5.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8625    5.6500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.5625    5.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2125    5.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4542    4.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8625    6.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1583    5.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5083    4.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1583    4.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8083    5.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708    5.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2125    7.5250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9125    4.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4542    3.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0917    4.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7500    3.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7500    4.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0917    3.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4042    3.0208    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2125    6.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5083    6.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8625    7.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5625    4.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708    4.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5083    7.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708    3.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5625    3.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9125    3.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 11  1  0  0  0  0
  3  5  1  0  0  0  0
  4  1  1  0  0  0  0
  5  6  1  0  0  0  0
  6  4  1  0  0  0  0
  7  2  1  0  0  0  0
  8  4  1  0  0  0  0
  9  1  1  0  0  0  0
 10  1  1  0  0  0  0
 11 10  1  0  0  0  0
 12  9  1  0  0  0  0
 13  3  2  0  0  0  0
 14 22  2  0  0  0  0
 15  3  1  0  0  0  0
 16  7  1  0  0  0  0
 17  7  2  0  0  0  0
 18 19  2  0  0  0  0
 19 17  1  0  0  0  0
 20 16  2  0  0  0  0
 21 18  1  0  0  0  0
 22  8  1  0  0  0  0
 23  8  2  0  0  0  0
 24 27  2  0  0  0  0
 25 15  1  0  0  0  0
 26 15  1  0  0  0  0
 27 23  1  0  0  0  0
 28 26  1  0  0  0  0
 29 25  1  0  0  0  0
 30 28  1  0  0  0  0
  2 12  1  0  0  0  0
 24 14  1  0  0  0  0
 18 20  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (3,863)
3863

>  <Formula> (3,863)
C24H31FN4O

>  <MolWeight> (3,863)
410.5275432

>  <COMPOUND_NAME> (3,863)
WAY-334250

>  <BAR_CODE_NO> (3,863)
309251

$$$$
WAY-334331
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
    7.8527    6.0442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8527    6.8670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1301    5.6307    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1224    6.4535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6337    5.7894    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1384    7.2847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4242    6.8795    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4159    6.0442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6337    7.1176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9494    6.4535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3587    7.1677    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7100    7.2930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1427    8.1117    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7100    5.6390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3587    5.7393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.8795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.0442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9494    7.8819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8844    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1857    7.1677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3629    8.5920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1224    7.8819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7047    8.5920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9494    9.3063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1224    9.3063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  8  1  0  0  0  0
  8  3  2  0  0  0  0
  9  2  1  0  0  0  0
 10  4  1  0  0  0  0
 11 10  1  0  0  0  0
 12  7  1  0  0  0  0
 13  6  2  0  0  0  0
 14  8  1  0  0  0  0
 15 10  2  0  0  0  0
 16 17  1  0  0  0  0
 17 14  2  0  0  0  0
 18 11  1  0  0  0  0
 19  5  1  0  0  0  0
 20 11  1  0  0  0  0
 21 18  1  0  0  0  0
 22 18  1  0  0  0  0
 23 22  1  0  0  0  0
 24 21  1  0  0  0  0
 25 23  1  0  0  0  0
  9  4  2  0  0  0  0
  7  6  1  0  0  0  0
 12 16  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (3,864)
3864

>  <Formula> (3,864)
C19H22N4O2

>  <MolWeight> (3,864)
338.40358

>  <COMPOUND_NAME> (3,864)
WAY-334331

>  <BAR_CODE_NO> (3,864)
309332

$$$$
WAY-334057
csChFnd80/06171916322D

 23 27  0  0  0  0  0  0  0  0999 V2000
    9.9542   -3.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9542   -5.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9917   -2.5625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1167   -2.1417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.2917   -3.2042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.2917   -5.3375    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.1167   -6.4042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.2417   -4.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9917   -6.0042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7542   -5.2750    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.4667   -2.9667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.9417   -0.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1167   -8.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3750   -4.2667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1042   -7.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667   -5.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9542   -9.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2750   -9.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1042  -12.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2625  -11.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9542  -11.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0792  -14.9292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9250  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  2  1  0  0  0  0
  8  3  1  0  0  0  0
  9  2  1  0  0  0  0
 10  6  1  0  0  0  0
 11  5  1  0  0  0  0
 12 11  1  0  0  0  0
 13  7  1  0  0  0  0
 14  8  2  0  0  0  0
 15 16  1  0  0  0  0
 16 11  1  0  0  0  0
 17 13  2  0  0  0  0
 18 13  1  0  0  0  0
 19 20  1  0  0  0  0
 20 18  2  0  0  0  0
 21 17  1  0  0  0  0
 22 19  1  0  0  0  0
 23 22  1  0  0  0  0
  9  8  1  0  0  0  0
  6  7  1  0  0  0  0
 10 12  1  0  0  0  0
 10 15  1  0  0  0  0
 21 19  2  0  0  0  0
M  END
>  <Mol_ID> (3,865)
3865

>  <Formula> (3,865)
C18H19NO2S2

>  <MolWeight> (3,865)
345.47896

>  <COMPOUND_NAME> (3,865)
WAY-334057

>  <BAR_CODE_NO> (3,865)
309058

$$$$
WAY-334058
csChFnd80/06171916322D

 22 26  0  0  0  0  0  0  0  0999 V2000
   10.3625   -3.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3625   -5.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4792   -2.6667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4417   -2.2292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.5542   -3.3375    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.5542   -5.5542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.4417   -6.6667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.7792   -4.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4792   -6.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9042   -5.4875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6042   -3.0917    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.0250   -0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4417   -8.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -4.4417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917   -7.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3625   -5.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3625   -9.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5292   -9.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5292  -12.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3625  -12.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4417  -13.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4292  -15.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  2  1  0  0  0  0
  8  3  1  0  0  0  0
  9  2  1  0  0  0  0
 10  6  1  0  0  0  0
 11  5  1  0  0  0  0
 12 11  1  0  0  0  0
 13  7  1  0  0  0  0
 14  8  2  0  0  0  0
 15 16  1  0  0  0  0
 16 11  1  0  0  0  0
 17 13  2  0  0  0  0
 18 13  1  0  0  0  0
 19 18  2  0  0  0  0
 20 17  1  0  0  0  0
 21 19  1  0  0  0  0
 22 21  1  0  0  0  0
  9  8  1  0  0  0  0
  6  7  1  0  0  0  0
 10 12  1  0  0  0  0
 10 15  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (3,866)
3866

>  <Formula> (3,866)
C18H19NOS2

>  <MolWeight> (3,866)
329.47956

>  <COMPOUND_NAME> (3,866)
WAY-334058

>  <BAR_CODE_NO> (3,866)
309059

$$$$
WAY-334061
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
    9.0750   -7.9167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.6125   -7.9167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.6917  -10.5875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0750   -9.4542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0750   -6.3792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3792   -9.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5375   -7.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9167   -9.2542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.6917   -7.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9250  -11.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7667   -9.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7625   -6.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9167   -6.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2292   -7.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7000  -13.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3917  -11.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6917   -5.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2125   -9.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2125   -6.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292  -14.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6167  -13.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4375   -7.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3875  -14.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2292   -5.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  8  1  0  0  0  0
  4  1  2  0  0  0  0
  5  1  2  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  3  1  0  0  0  0
 11  7  2  0  0  0  0
 12  7  1  0  0  0  0
 13  9  2  0  0  0  0
 14  9  1  0  0  0  0
 15 10  2  0  0  0  0
 16 10  1  0  0  0  0
 17 14  2  0  0  0  0
 18 13  1  0  0  0  0
 19 11  1  0  0  0  0
 20 12  2  0  0  0  0
 21 15  1  0  0  0  0
 22 16  2  0  0  0  0
 23 20  1  0  0  0  0
 24 22  1  0  0  0  0
 25 17  1  0  0  0  0
 23 19  2  0  0  0  0
 25 18  2  0  0  0  0
 24 21  2  0  0  0  0
M  END
>  <Mol_ID> (3,867)
3867

>  <Formula> (3,867)
C20H20N2O2S

>  <MolWeight> (3,867)
352.45

>  <COMPOUND_NAME> (3,867)
WAY-334061

>  <BAR_CODE_NO> (3,867)
309062

$$$$
WAY-334077
csChFnd80/06171916322D

 22 23  0  0  0  0  0  0  0  0999 V2000
    8.3042   -8.4917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.0250   -8.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5792   -8.4917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1292   -8.5042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4250   -8.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3792   -7.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1042   -7.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3792   -9.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2917   -9.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2917   -7.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2042   -9.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2250   -7.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4792   -9.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4917   -7.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0542   -9.6292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1042   -9.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4667   -8.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0125   -6.2750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.0792   -7.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4667  -10.7125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   15.3417   -7.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4 14  1  0  0  0  0
  5  4  1  0  0  0  0
  6  2  1  0  0  0  0
  7  6  2  0  0  0  0
  8  2  2  0  0  0  0
  9  1  2  0  0  0  0
 10  1  2  0  0  0  0
 11  3  1  0  0  0  0
 12  3  1  0  0  0  0
 13 11  1  0  0  0  0
 14 12  1  0  0  0  0
 15  5  2  0  0  0  0
 16  8  1  0  0  0  0
 17 16  2  0  0  0  0
 18  6  1  0  0  0  0
 19  5  1  0  0  0  0
 20 16  1  0  0  0  0
 21 19  1  0  0  0  0
 22 21  1  0  0  0  0
 13  4  1  0  0  0  0
  7 17  1  0  0  0  0
M  END
>  <Mol_ID> (3,868)
3868

>  <Formula> (3,868)
C12H17BrN4O4S

>  <MolWeight> (3,868)
393.25678

>  <COMPOUND_NAME> (3,868)
WAY-334077

>  <BAR_CODE_NO> (3,868)
309078

$$$$
WAY-334141
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -1.2000   -0.1167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833   -0.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5375    2.0333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708    2.1833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    2.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8708    1.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6958    1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6208    0.5958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417   -0.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1958   -1.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833    0.3083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208   -0.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    2.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    3.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    3.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708    3.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7708   -2.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4625   -1.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0208   -1.5542    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917   -1.5292    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  3  2  0  0  0  0
  6 13  1  0  0  0  0
  7  6  2  0  0  0  0
  8  1  1  0  0  0  0
  9  2  1  0  0  0  0
 10  2  2  0  0  0  0
 11  1  2  0  0  0  0
 12  1  2  0  0  0  0
 13  8  1  0  0  0  0
 14  4  1  0  0  0  0
 15  5  1  0  0  0  0
 16 14  2  0  0  0  0
 17 15  2  0  0  0  0
 18 10  1  0  0  0  0
 19  9  2  0  0  0  0
 20 10  1  0  0  0  0
 21 18  2  0  0  0  0
 22 19  1  0  0  0  0
 19 21  1  0  0  0  0
  4  5  1  0  0  0  0
 17 16  1  0  0  0  0
M  END
>  <Mol_ID> (3,869)
3869

>  <Formula> (3,869)
C14H11F2N3O2S

>  <MolWeight> (3,869)
323.3178464

>  <COMPOUND_NAME> (3,869)
WAY-334141

>  <BAR_CODE_NO> (3,869)
309142

$$$$
WAY-334144
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -2.6832    0.2225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6832   -1.0257    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5074    0.6156    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7901    0.8639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5074   -1.4188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7901   -1.6671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7936   -0.3844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8970    0.2225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8970   -1.0257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4892   -0.3120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1340   -1.3844    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4168   -1.3464    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3823   -0.0982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4547   -2.6326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7030   -1.3120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4512    0.5432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2754    0.5087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4168    1.7915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2409    1.7570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3099    2.3984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2754    3.6846    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  6  9  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 12 15  2  0  0  0  0
 13 16  2  0  0  0  0
 13 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 20 21  1  0  0  0  0
  5  7  2  0  0  0  0
  8  9  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (3,870)
3870

>  <Formula> (3,870)
C14H12ClN3O2S

>  <MolWeight> (3,870)
321.78198

>  <COMPOUND_NAME> (3,870)
WAY-334144

>  <BAR_CODE_NO> (3,870)
309145

$$$$
WAY-334197
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -2.3833    5.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6583    5.0792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1250    5.0792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500    4.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1208    4.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3833    3.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8625    3.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3833    6.3542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083    3.8083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083    5.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5708    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8625    2.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5958    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8333    1.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0958    1.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1083    2.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3125    1.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8250    0.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208    6.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1625    5.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667    5.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1708    6.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5750    6.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  2  0  0  0  0
  7  5  1  0  0  0  0
  8  1  2  0  0  0  0
  9  4  2  0  0  0  0
 10  2  1  0  0  0  0
 11 13  1  0  0  0  0
 12  7  1  0  0  0  0
 13 12  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 12  1  0  0  0  0
 17 11  1  0  0  0  0
 18 14  1  0  0  0  0
 19 10  1  0  0  0  0
 20 10  1  0  0  0  0
 21 20  1  0  0  0  0
 22 19  1  0  0  0  0
 23 21  1  0  0  0  0
  6  4  1  0  0  0  0
 23 22  1  0  0  0  0
 11 14  2  0  0  0  0
M  END
>  <Mol_ID> (3,871)
3871

>  <Formula> (3,871)
C18H23N3O2

>  <MolWeight> (3,871)
313.39412

>  <COMPOUND_NAME> (3,871)
WAY-334197

>  <BAR_CODE_NO> (3,871)
309198

$$$$
WAY-334513
csChFnd80/06171916322D

 22 25  0  0  0  0  0  0  0  0999 V2000
   -1.8875    2.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333    2.8458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833    2.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1458    3.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958    3.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5583    1.9208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7875    3.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9708    3.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2250    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792    2.6833    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.8250    1.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292    3.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5208    3.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0333    2.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5375    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6375    3.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5750    4.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3333    3.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    2.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917    3.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1292    4.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9375    4.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  5  2  0  0  0  0
  8  4  1  0  0  0  0
  9  6  1  0  0  0  0
 10  2  1  0  0  0  0
 11  3  2  0  0  0  0
 12 10  1  0  0  0  0
 13  8  1  0  0  0  0
 14  9  1  0  0  0  0
 15 10  1  0  0  0  0
 16 12  2  0  0  0  0
 17 12  1  0  0  0  0
 18 13  2  0  0  0  0
 19 14  2  0  0  0  0
 20 16  1  0  0  0  0
 21 17  2  0  0  0  0
 22 21  1  0  0  0  0
  8  9  2  0  0  0  0
  7  2  1  0  0  0  0
 19 18  1  0  0  0  0
 22 20  2  0  0  0  0
M  END
>  <Mol_ID> (3,872)
3872

>  <Formula> (3,872)
C18H14N2O2

>  <MolWeight> (3,872)
290.31596

>  <COMPOUND_NAME> (3,872)
WAY-334513

>  <BAR_CODE_NO> (3,872)
309514

$$$$
WAY-334608
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.1765   -0.0412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1385   -0.6412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1765    1.1657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2144   -0.6412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9097   -0.0309    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1385   -1.8274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2144    1.7657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1282    1.7967    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2627   -0.0309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9442   -0.6309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9097   -2.4378    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2075   -2.4171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2627    1.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1489    3.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3316   -0.6205    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.9442   -1.8378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9822   -0.0309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8753    3.6140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2075    3.5933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9822   -2.4378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0304   -0.6412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0304   -1.8274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  2  0  0  0  0
 10 17  1  0  0  0  0
 14 18  1  0  0  0  0
 14 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 21  2  0  0  0  0
 20 22  2  0  0  0  0
  9 13  1  0  0  0  0
 11 16  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (3,873)
3873

>  <Formula> (3,873)
C16H12BrN3O2

>  <MolWeight> (3,873)
358.18938

>  <COMPOUND_NAME> (3,873)
WAY-334608

>  <BAR_CODE_NO> (3,873)
309609

$$$$
WAY-334662
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
    4.5167   -5.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2292   -4.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8417   -5.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6792   -5.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2292   -3.8167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5042   -5.9625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7917   -4.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5167   -3.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8042   -3.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6542   -5.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1917   -5.6542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0042   -5.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1292   -6.4792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.5417   -6.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5167   -2.5750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9167   -4.2542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3500   -5.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2625   -4.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6167   -5.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0792   -5.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0917   -3.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0750   -4.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2792   -6.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4292   -5.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3750   -3.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3667   -4.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  1  1  0  0  0  0
  8  9  1  0  0  0  0
  9  7  2  0  0  0  0
 10  3  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13  4  2  0  0  0  0
 14 12  1  0  0  0  0
 15  8  2  0  0  0  0
 16 10  2  0  0  0  0
 17 14  2  0  0  0  0
 18 12  2  0  0  0  0
 19 22  2  0  0  0  0
 20  7  1  0  0  0  0
 21  9  1  0  0  0  0
 22 18  1  0  0  0  0
 23 14  1  0  0  0  0
 24 19  1  0  0  0  0
 25 26  1  0  0  0  0
 26 20  2  0  0  0  0
  6  3  1  0  0  0  0
  8  5  1  0  0  0  0
 25 21  2  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (3,874)
3874

>  <Formula> (3,874)
C19H15N3O2S2

>  <MolWeight> (3,874)
381.4713

>  <COMPOUND_NAME> (3,874)
WAY-334662

>  <BAR_CODE_NO> (3,874)
309663

$$$$
WAY-334720
csChFnd80/06171916322D

 30 34  0  0  0  0  0  0  0  0999 V2000
    5.0125   -2.2292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3000   -1.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0125   -3.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4667   -1.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3000   -3.4667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5875   -2.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6250   -1.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5875   -3.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2917   -0.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7292   -3.4667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.4500   -4.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1542   -4.2792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4542   -5.5167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7292   -4.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8667   -4.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8750   -1.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2875   -5.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8667   -5.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5750   -4.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5792   -5.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2792   -4.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4417   -1.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8750   -3.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7750   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0042   -5.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0042   -6.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1542   -2.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9292   -1.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1542   -3.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5917   -0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  2  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  5  1  0  0  0  0
  9  7  2  0  0  0  0
 10  3  1  0  0  0  0
 11 14  1  0  0  0  0
 12 11  1  0  0  0  0
 13 11  2  0  0  0  0
 14 10  1  0  0  0  0
 15 12  1  0  0  0  0
 16  6  2  0  0  0  0
 17 21  2  0  0  0  0
 18 15  1  0  0  0  0
 19 15  2  0  0  0  0
 20 18  2  0  0  0  0
 21 19  1  0  0  0  0
 22  7  1  0  0  0  0
 23  8  2  0  0  0  0
 24  9  1  0  0  0  0
 25 17  1  0  0  0  0
 26 25  1  0  0  0  0
 27 16  1  0  0  0  0
 28 22  2  0  0  0  0
 29 23  1  0  0  0  0
 30 28  1  0  0  0  0
  4  9  1  0  0  0  0
  6  8  1  0  0  0  0
 24 30  2  0  0  0  0
 27 29  2  0  0  0  0
 20 17  1  0  0  0  0
M  END
>  <Mol_ID> (3,875)
3875

>  <Formula> (3,875)
C23H18N4O2S

>  <MolWeight> (3,875)
414.47962

>  <COMPOUND_NAME> (3,875)
WAY-334720

>  <BAR_CODE_NO> (3,875)
309721

$$$$
WAY-334725
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
    5.4750   -4.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7625   -3.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4792   -4.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7625   -5.3042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0875   -3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0500   -4.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0500   -4.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9250   -2.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7500   -2.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2000   -5.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7542   -6.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3292   -3.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3292   -5.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1542   -2.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9792   -2.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2042   -1.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6125   -4.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3875   -1.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6125   -4.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6125   -0.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8  2  1  0  0  0  0
  9  5  2  0  0  0  0
 10  3  2  0  0  0  0
 11  4  1  0  0  0  0
 12  6  2  0  0  0  0
 13  7  2  0  0  0  0
 14  9  1  0  0  0  0
 15 14  1  0  0  0  0
 16 18  1  0  0  0  0
 17 12  1  0  0  0  0
 18 15  1  0  0  0  0
 19 13  1  0  0  0  0
 20 16  1  0  0  0  0
  8  9  1  0  0  0  0
  7  6  1  0  0  0  0
 19 17  2  0  0  0  0
M  END
>  <Mol_ID> (3,876)
3876

>  <Formula> (3,876)
C16H18N2O2

>  <MolWeight> (3,876)
270.32632

>  <COMPOUND_NAME> (3,876)
WAY-334725

>  <BAR_CODE_NO> (3,876)
309726

$$$$
WAY-334786
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
    6.8625   -5.6042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3292   -4.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8417   -7.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7417   -2.9542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1917   -4.4417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2792   -8.2625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8042   -5.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5167   -2.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7750   -7.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292  -11.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3792   -8.3000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.4167  -10.1167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8875  -10.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8917  -12.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4625  -10.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8792  -12.7542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3667  -10.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -11.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4042  -13.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542   -4.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9667  -12.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3792  -15.4875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   14.4792   -8.4042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4250   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2292   -8.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9542   -7.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042   -5.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792   -7.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  1  1  0  0  0  0
  6  3  2  0  0  0  0
  7  2  1  0  0  0  0
  8  5  2  0  0  0  0
  9  6  1  0  0  0  0
 10 12  1  0  0  0  0
 11  3  1  0  0  0  0
 12 13  1  0  0  0  0
 13 17  1  0  0  0  0
 14 10  2  0  0  0  0
 15 10  1  0  0  0  0
 16 13  2  0  0  0  0
 17 11  1  0  0  0  0
 18 15  2  0  0  0  0
 19 14  1  0  0  0  0
 20  7  1  0  0  0  0
 21 18  1  0  0  0  0
 22 19  1  0  0  0  0
 23 15  1  0  0  0  0
 24  8  1  0  0  0  0
 25  9  1  0  0  0  0
 26 23  1  0  0  0  0
 27 20  2  0  0  0  0
 28 25  2  0  0  0  0
  4  8  1  0  0  0  0
  9  7  2  0  0  0  0
 28 27  1  0  0  0  0
 21 19  2  0  0  0  0
M  END
>  <Mol_ID> (3,877)
3877

>  <Formula> (3,877)
C19H16ClN5O2S

>  <MolWeight> (3,877)
413.88064

>  <COMPOUND_NAME> (3,877)
WAY-334786

>  <BAR_CODE_NO> (3,877)
309787

$$$$
WAY-334805
csChFnd80/06171916322D

 33 37  0  0  0  0  0  0  0  0999 V2000
  -11.1042    8.6917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1042   10.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7292    7.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2750   11.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3167    8.1042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -14.3542    8.6917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7292   11.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1917    9.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.3542   10.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4458    7.9667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5708    6.9792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7292    5.8542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3375    9.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3625    6.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2792    9.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.4000    3.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5708    8.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7750    2.0875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3625    7.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7750    0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1500   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0000    2.0708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -14.3542    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1500   -2.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7292   13.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5250   -3.5542    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  -16.0000   11.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9458   11.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.4292   -2.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.4292   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7750   -3.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.3542   14.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0000   13.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  1  1  0  0  0  0
  6  3  2  0  0  0  0
  7  2  1  0  0  0  0
  8  5  2  0  0  0  0
  9  6  1  0  0  0  0
 10 19  1  0  0  0  0
 11 14  2  0  0  0  0
 12  3  1  0  0  0  0
 13 10  1  0  0  0  0
 14 10  1  0  0  0  0
 15  8  1  0  0  0  0
 16 23  1  0  0  0  0
 17 13  2  0  0  0  0
 18 16  1  0  0  0  0
 19 15  1  0  0  0  0
 20 18  1  0  0  0  0
 21 20  1  0  0  0  0
 22 16  2  0  0  0  0
 23 12  1  0  0  0  0
 24 21  2  0  0  0  0
 25  7  1  0  0  0  0
 26 24  1  0  0  0  0
 27  9  1  0  0  0  0
 28 13  1  0  0  0  0
 29 30  1  0  0  0  0
 30 20  2  0  0  0  0
 31 29  2  0  0  0  0
 32 25  2  0  0  0  0
 33 27  2  0  0  0  0
  8  4  1  0  0  0  0
  7  9  2  0  0  0  0
 32 33  1  0  0  0  0
 11 17  1  0  0  0  0
 31 24  1  0  0  0  0
M  END
>  <Mol_ID> (3,878)
3878

>  <Formula> (3,878)
C23H20ClN7OS

>  <MolWeight> (3,878)
477.9692

>  <COMPOUND_NAME> (3,878)
WAY-334805

>  <BAR_CODE_NO> (3,878)
309806

$$$$
WAY-334807
csChFnd80/06171916322D

 34 38  0  0  0  0  0  0  0  0999 V2000
    8.1500   -4.9125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1500   -3.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9375   -5.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5042   -3.0792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4792   -5.3417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7167   -4.9125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9375   -2.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3167   -4.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7167   -3.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8417   -5.4625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.1667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9375   -7.0250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.6667   -4.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9167   -9.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.6542   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9042  -11.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7250   -4.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7042   -9.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -4.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1167  -11.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4250   -5.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1292  -13.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5042   -9.8292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6792  -11.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7167   -7.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9042  -14.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9375   -1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6792  -13.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5042   -2.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2250   -2.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3292  -11.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9042  -15.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7167   -0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5042   -1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  1  1  0  0  0  0
  6  3  2  0  0  0  0
  7  2  1  0  0  0  0
  8  5  2  0  0  0  0
  9  6  1  0  0  0  0
 10 21  1  0  0  0  0
 11 15  2  0  0  0  0
 12  3  1  0  0  0  0
 13 10  1  0  0  0  0
 14 18  1  0  0  0  0
 15 10  1  0  0  0  0
 16 14  1  0  0  0  0
 17  8  1  0  0  0  0
 18 25  1  0  0  0  0
 19 13  2  0  0  0  0
 20 16  1  0  0  0  0
 21 17  1  0  0  0  0
 22 20  2  0  0  0  0
 23 18  2  0  0  0  0
 24 16  2  0  0  0  0
 25 12  1  0  0  0  0
 26 28  2  0  0  0  0
 27  7  1  0  0  0  0
 28 24  1  0  0  0  0
 29  9  1  0  0  0  0
 30 13  1  0  0  0  0
 31 20  1  0  0  0  0
 32 26  1  0  0  0  0
 33 27  2  0  0  0  0
 34 29  2  0  0  0  0
  8  4  1  0  0  0  0
  9  7  2  0  0  0  0
 33 34  1  0  0  0  0
 11 19  1  0  0  0  0
 22 26  1  0  0  0  0
M  END
>  <Mol_ID> (3,879)
3879

>  <Formula> (3,879)
C25H25N7OS

>  <MolWeight> (3,879)
471.5773

>  <COMPOUND_NAME> (3,879)
WAY-334807

>  <BAR_CODE_NO> (3,879)
309808

$$$$
WAY-334810
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
    7.0125   -3.6750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0125   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2917   -3.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2917   -4.9125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5750   -3.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5750   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4250   -4.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8750   -4.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8750   -3.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1500   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1375   -6.5750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2917   -2.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7250   -3.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4250   -6.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7250   -4.9250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.1500   -3.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7000   -4.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4250   -5.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7167   -5.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7250   -2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4500   -3.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7125   -6.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4500   -2.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1625   -3.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1667   -2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  2  0  0  0  0
  7 10  1  0  0  0  0
  8  6  1  0  0  0  0
  9  5  1  0  0  0  0
 10 16  1  0  0  0  0
 11 14  3  0  0  0  0
 12  3  2  0  0  0  0
 13  1  1  0  0  0  0
 14 19  1  0  0  0  0
 15  2  1  0  0  0  0
 16  9  2  0  0  0  0
 17  7  2  0  0  0  0
 18  7  1  0  0  0  0
 19 15  1  0  0  0  0
 20 13  1  0  0  0  0
 21 13  1  0  0  0  0
 22 18  1  0  0  0  0
 23 20  1  0  0  0  0
 24 21  1  0  0  0  0
 25 24  1  0  0  0  0
  4  6  1  0  0  0  0
 23 25  1  0  0  0  0
 10  8  2  0  0  0  0
M  END
>  <Mol_ID> (3,880)
3880

>  <Formula> (3,880)
C18H19N3O3S

>  <MolWeight> (3,880)
357.42676

>  <COMPOUND_NAME> (3,880)
WAY-334810

>  <BAR_CODE_NO> (3,880)
309811

$$$$
WAY-334859
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
    2.4417   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542   -1.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5417   -1.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1292   -0.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6875    0.1250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.1667    0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8792   -0.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042   -0.4042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042   -1.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9667   -1.5917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1667    1.0333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8750   -1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6000    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792   -2.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6917   -2.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3167   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5875   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3542   -3.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417   -2.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292   -3.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3125   -1.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  4  2  0  0  0  0
  9  3  1  0  0  0  0
 10  2  1  0  0  0  0
 11  6  2  0  0  0  0
 12  7  1  0  0  0  0
 13  7  1  0  0  0  0
 14  9  2  0  0  0  0
 15  9  1  0  0  0  0
 16 13  1  0  0  0  0
 17 12  1  0  0  0  0
 18 15  2  0  0  0  0
 19 14  1  0  0  0  0
 20 18  1  0  0  0  0
 21 16  1  0  0  0  0
  3  4  1  0  0  0  0
 21 17  1  0  0  0  0
 20 19  2  0  0  0  0
M  END
>  <Mol_ID> (3,881)
3881

>  <Formula> (3,881)
C15H17N3OS2

>  <MolWeight> (3,881)
319.44498

>  <COMPOUND_NAME> (3,881)
WAY-334859

>  <BAR_CODE_NO> (3,881)
309860

$$$$
WAY-334861
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -2.2708   -2.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0208   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1958   -1.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9333   -2.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6083   -2.5292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0500   -2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6708   -1.7542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1500   -2.2875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208   -0.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5083   -0.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2208   -3.1125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8958   -0.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4958   -0.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4458   -2.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0583   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1083   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042   -0.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0583    0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833    0.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  4  2  0  0  0  0
  9  3  1  0  0  0  0
 10  2  1  0  0  0  0
 11  6  2  0  0  0  0
 12 15  1  0  0  0  0
 13  7  1  0  0  0  0
 14  7  1  0  0  0  0
 15 14  1  0  0  0  0
 16 13  1  0  0  0  0
 17  9  2  0  0  0  0
 18  9  1  0  0  0  0
 19 18  2  0  0  0  0
 20 17  1  0  0  0  0
 21 19  1  0  0  0  0
  3  4  1  0  0  0  0
 16 12  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (3,882)
3882

>  <Formula> (3,882)
C14H15N3O2S2

>  <MolWeight> (3,882)
321.4178

>  <COMPOUND_NAME> (3,882)
WAY-334861

>  <BAR_CODE_NO> (3,882)
309862

$$$$
WAY-335043
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
    3.2279    6.2714    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6217    6.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1860    5.1446    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9401    4.9132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2967    7.3134    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.1477    4.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7350    8.6471    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.9457    0.6997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9401    2.1049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1533    2.8046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7324    4.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7324    2.8046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1533    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8095    9.6854    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.7324    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9311    7.0219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1063    8.9293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.0696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4383    9.4033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460   11.0097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  2  0  0  0  0
  7  5  1  0  0  0  0
  8  9  1  0  0  0  0
  9 12  1  0  0  0  0
 10  6  1  0  0  0  0
 11  4  1  0  0  0  0
 12 11  2  0  0  0  0
 13  8  2  0  0  0  0
 14  7  1  0  0  0  0
 15  8  1  0  0  0  0
 16  5  1  0  0  0  0
 17  7  1  0  0  0  0
 18 16  1  0  0  0  0
 19 18  1  0  0  0  0
 20 14  1  0  0  0  0
  3  6  1  0  0  0  0
 10  9  2  0  0  0  0
 19 14  1  0  0  0  0
M  END
>  <Mol_ID> (3,883)
3883

>  <Formula> (3,883)
C16H20N2O2

>  <MolWeight> (3,883)
272.3422

>  <COMPOUND_NAME> (3,883)
WAY-335043

>  <BAR_CODE_NO> (3,883)
310044

$$$$
WAY-335047
csChFnd80/06171916322D

 19 20  0  0  0  0  0  0  0  0999 V2000
    3.1042   -0.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542   -0.2292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6417    0.0583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292   -0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6417   -0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2125   -0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4667    0.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000   -0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8750    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4292    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2292    0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3167   -1.3542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4542    1.4833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000    0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042   -1.4750    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.6917    0.7833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2125    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208    1.0083    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  2  0  0  0  0
  7  3  1  0  0  0  0
  8  6  1  0  0  0  0
  9  7  1  0  0  0  0
 10  2  1  0  0  0  0
 11  3  1  0  0  0  0
 12  1  2  0  0  0  0
 13  4  1  0  0  0  0
 14  9  2  0  0  0  0
 15 18  1  0  0  0  0
 16  6  1  0  0  0  0
 17  9  1  0  0  0  0
 18 13  2  0  0  0  0
 19 15  1  0  0  0  0
 11 10  1  0  0  0  0
 15  8  2  0  0  0  0
M  END
>  <Mol_ID> (3,884)
3884

>  <Formula> (3,884)
C12H12ClFN2O3

>  <MolWeight> (3,884)
286.6866832

>  <COMPOUND_NAME> (3,884)
WAY-335047

>  <BAR_CODE_NO> (3,884)
310048

$$$$
WAY-335083
csChFnd80/06171916322D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -0.0125   -1.0917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4083    0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8375   -1.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1583   -0.5125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3250   -0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2000    0.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7375    0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8042   -1.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0708    0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833   -0.2667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0500   -1.9167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8208   -0.0250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792   -1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1500   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3750    1.3458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1042   -1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9750   -0.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4542   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2792   -0.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  9  1  0  0  0  0
  8  1  1  0  0  0  0
  9  5  2  0  0  0  0
 10  1  2  0  0  0  0
 11  1  2  0  0  0  0
 12  6  2  0  0  0  0
 13  8  2  0  0  0  0
 14  8  1  0  0  0  0
 15  6  1  0  0  0  0
 16 13  1  0  0  0  0
 17 14  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 16 18  2  0  0  0  0
  7  2  2  0  0  0  0
M  END
>  <Mol_ID> (3,885)
3885

>  <Formula> (3,885)
C13H12O5S

>  <MolWeight> (3,885)
280.29638

>  <COMPOUND_NAME> (3,885)
WAY-335083

>  <BAR_CODE_NO> (3,885)
310084

$$$$
WAY-335095
csChFnd80/06171916322D

 20 21  0  0  0  0  0  0  0  0999 V2000
    1.2917   -0.1167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042    0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6292    2.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3625    1.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0250    1.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542    3.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4542    2.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7000    1.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6792   -0.8292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8917    0.6083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792   -1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3375    2.9833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5042    3.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1375   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917   -1.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1375   -1.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042   -1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8500   -0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8500   -1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8  9  1  0  0  0  0
  9  6  2  0  0  0  0
 10  1  2  0  0  0  0
 11  1  2  0  0  0  0
 12  2  1  0  0  0  0
 13  7  2  0  0  0  0
 14  7  1  0  0  0  0
 15  2  2  0  0  0  0
 16 12  1  0  0  0  0
 17 12  2  0  0  0  0
 18 16  1  0  0  0  0
 19 15  1  0  0  0  0
 20 19  2  0  0  0  0
  4  8  2  0  0  0  0
 20 17  1  0  0  0  0
M  END
>  <Mol_ID> (3,886)
3886

>  <Formula> (3,886)
C13H12O6S

>  <MolWeight> (3,886)
296.29578

>  <COMPOUND_NAME> (3,886)
WAY-335095

>  <BAR_CODE_NO> (3,886)
310096

$$$$
WAY-335107
csChFnd80/06171916322D

 20 21  0  0  0  0  0  0  0  0999 V2000
    1.9375   -3.6667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458   -2.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167   -3.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958   -3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2333   -1.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167   -1.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7542   -3.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8875   -2.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9417   -2.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9292   -4.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458   -2.5125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1542   -4.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1792   -2.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4083   -1.1542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4042   -3.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0042   -2.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9792   -4.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2292   -3.7167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6500   -3.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  9  1  0  0  0  0
  8  1  1  0  0  0  0
  9  5  2  0  0  0  0
 10  1  2  0  0  0  0
 11  1  2  0  0  0  0
 12  6  2  0  0  0  0
 13  8  2  0  0  0  0
 14  8  1  0  0  0  0
 15  6  1  0  0  0  0
 16 17  1  0  0  0  0
 17 14  2  0  0  0  0
 18 13  1  0  0  0  0
 19 16  1  0  0  0  0
 20 19  1  0  0  0  0
 18 16  2  0  0  0  0
  7  2  2  0  0  0  0
M  END
>  <Mol_ID> (3,887)
3887

>  <Formula> (3,887)
C13H12O6S

>  <MolWeight> (3,887)
296.29578

>  <COMPOUND_NAME> (3,887)
WAY-335107

>  <BAR_CODE_NO> (3,887)
310108

$$$$
WAY-335135
csChFnd80/06171916322D

 24 25  0  0  0  0  0  0  0  0999 V2000
   -4.8083    3.0583    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1708    3.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0958    1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5958    3.4208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0208    2.6958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4458    2.8458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4583    1.5958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0958    2.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7333    1.5958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1708    3.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5333    3.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4583    2.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8958    3.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8208    1.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8958    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1750    1.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5333    3.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8958    3.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2542    3.8958    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -6.2542    0.9708    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5333    0.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8958    1.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1750    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5375    1.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  8  1  0  0  0  0
  4  1  2  0  0  0  0
  5  1  2  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8 12  1  0  0  0  0
  9  3  2  0  0  0  0
 10  2  2  0  0  0  0
 11  2  1  0  0  0  0
 12  6  1  0  0  0  0
 13 18  1  0  0  0  0
 14  7  1  0  0  0  0
 15 22  2  0  0  0  0
 16 14  1  0  0  0  0
 17 10  1  0  0  0  0
 18 11  2  0  0  0  0
 19 13  1  0  0  0  0
 20 15  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 16  1  0  0  0  0
 24 16  2  0  0  0  0
 17 13  2  0  0  0  0
 21 15  1  0  0  0  0
M  END
>  <Mol_ID> (3,888)
3888

>  <Formula> (3,888)
C16H16BrFN2O3S

>  <MolWeight> (3,888)
415.2772432

>  <COMPOUND_NAME> (3,888)
WAY-335135

>  <BAR_CODE_NO> (3,888)
310136

$$$$
WAY-335136
csChFnd80/06171916322D

 24 25  0  0  0  0  0  0  0  0999 V2000
   -4.8083    3.0583    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1708    3.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0958    1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5958    3.4208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0208    2.6958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4458    2.8458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4583    1.5958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0958    2.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7333    1.5958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1708    3.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5333    3.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4583    2.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8958    3.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8208    1.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1750    1.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8958    3.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5333    3.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2542    3.8958    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -5.8958    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1708    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5333    1.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5333    0.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8958    1.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2542    0.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  8  1  0  0  0  0
  4  1  2  0  0  0  0
  5  1  2  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8 12  1  0  0  0  0
  9  3  2  0  0  0  0
 10  2  2  0  0  0  0
 11  2  1  0  0  0  0
 12  6  1  0  0  0  0
 13 16  1  0  0  0  0
 14  7  1  0  0  0  0
 15 14  1  0  0  0  0
 16 11  2  0  0  0  0
 17 10  1  0  0  0  0
 18 13  1  0  0  0  0
 19 23  2  0  0  0  0
 20 15  1  0  0  0  0
 21 15  2  0  0  0  0
 22 20  2  0  0  0  0
 23 21  1  0  0  0  0
 24 19  1  0  0  0  0
 17 13  2  0  0  0  0
 22 19  1  0  0  0  0
M  END
>  <Mol_ID> (3,889)
3889

>  <Formula> (3,889)
C17H19BrN2O3S

>  <MolWeight> (3,889)
411.31336

>  <COMPOUND_NAME> (3,889)
WAY-335136

>  <BAR_CODE_NO> (3,889)
310137

$$$$
WAY-335139
csChFnd80/06171916322D

 34 37  0  0  0  0  0  0  0  0999 V2000
    1.6375   -3.2000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.2167   -3.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4917   -3.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7792   -3.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9292   -3.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167   -2.7792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2167   -4.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3500   -3.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4917   -4.8542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0625   -3.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7750   -4.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6417   -3.6125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0417   -2.4792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167   -3.9125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4917   -2.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9292   -2.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292   -1.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2125   -3.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3500   -4.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0625   -4.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3625   -3.2000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.3625   -2.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000   -2.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167   -1.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0792   -1.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000   -1.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0750   -3.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7917   -2.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0792   -1.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2125   -1.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7917   -3.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5042   -1.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7875   -0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5042   -1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4 10  2  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  9  1  0  0  0  0
  8  1  1  0  0  0  0
  9 11  1  0  0  0  0
 10  8  1  0  0  0  0
 11 20  2  0  0  0  0
 12  5  1  0  0  0  0
 13  1  2  0  0  0  0
 14  1  2  0  0  0  0
 15  3  2  0  0  0  0
 16  5  2  0  0  0  0
 17  6  1  0  0  0  0
 18  6  1  0  0  0  0
 19  8  2  0  0  0  0
 20 19  1  0  0  0  0
 21 12  1  0  0  0  0
 22 21  1  0  0  0  0
 23 18  1  0  0  0  0
 24 17  1  0  0  0  0
 25 22  1  0  0  0  0
 26 23  1  0  0  0  0
 27 21  1  0  0  0  0
 28 25  2  0  0  0  0
 29 25  1  0  0  0  0
 30 26  1  0  0  0  0
 31 27  1  0  0  0  0
 32 28  1  0  0  0  0
 33 29  2  0  0  0  0
 34 33  1  0  0  0  0
  4 11  1  0  0  0  0
 24 26  1  0  0  0  0
  7  2  2  0  0  0  0
 32 34  2  0  0  0  0
M  END
>  <Mol_ID> (3,890)
3890

>  <Formula> (3,890)
C26H31N3O4S

>  <MolWeight> (3,890)
481.60704

>  <COMPOUND_NAME> (3,890)
WAY-335139

>  <BAR_CODE_NO> (3,890)
310140

$$$$
WAY-348088
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    7.4375   -2.7167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3792   -2.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9667   -3.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4417   -4.5375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8625   -3.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3917   -4.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5792   -4.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0292   -3.6167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.8542   -1.8167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0917   -5.4167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0792   -3.6667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5542   -4.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6042   -6.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7125   -6.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5542   -6.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.2792    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8167   -3.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1667   -5.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1792   -7.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0917   -5.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0875   -7.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8750   -5.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2917   -4.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8250   -5.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7 12  1  0  0  0  0
  8  3  1  0  0  0  0
  9  2  2  0  0  0  0
 10  7  1  0  0  0  0
 11  7  2  0  0  0  0
 12  8  1  0  0  0  0
 13 10  1  0  0  0  0
 14 19  1  0  0  0  0
 15 13  1  0  0  0  0
 16 14  1  0  0  0  0
 17  5  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 15  2  0  0  0  0
 21 15  1  0  0  0  0
 22  6  2  0  0  0  0
 23 17  1  0  0  0  0
 24 22  1  0  0  0  0
  6  5  1  0  0  0  0
 24 23  2  0  0  0  0
 18 14  2  0  0  0  0
M  END
>  <Mol_ID> (3,891)
3891

>  <Formula> (3,891)
C17H14ClN3O2S

>  <MolWeight> (3,891)
359.82996

>  <COMPOUND_NAME> (3,891)
WAY-348088

>  <BAR_CODE_NO> (3,891)
90459772

$$$$
WAY-389623
csChFnd80/06171916322D

 17 19  0  0  0  0  0  0  0  0999 V2000
    9.6750   -1.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1417   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9542   -1.6792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0167   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8250   -0.2750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2917   -0.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9125   -1.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6542   -2.4042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.8917   -2.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2542   -0.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2792    0.0208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.5375    0.3208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1167   -0.8625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.4667   -1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5042    0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000   -0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1667    0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  7  2  0  0  0  0
 10  7  1  0  0  0  0
 11 10  1  0  0  0  0
 12  4  2  0  0  0  0
 13  6  1  0  0  0  0
 14 10  2  0  0  0  0
 15 11  1  0  0  0  0
 16 14  1  0  0  0  0
 17  5  1  0  0  0  0
  9  8  1  0  0  0  0
  3  6  2  0  0  0  0
 16 15  2  0  0  0  0
M  END
>  <Mol_ID> (3,892)
3892

>  <Formula> (3,892)
C11H8N2OS3

>  <MolWeight> (3,892)
280.38902

>  <COMPOUND_NAME> (3,892)
WAY-389623

>  <BAR_CODE_NO> (3,892)
90481104

$$$$
WAY-389624
csChFnd80/06171916322D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -1.0724   -0.2308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4586   -0.7826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9069    0.5726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862   -0.6412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3276   -0.5274    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7931   -1.5308    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1207    0.8312    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5207    1.1243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6207   -1.4515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5724   -0.3826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4931    0.2795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2310   -2.0067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2793    0.5450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4172    1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8655   -0.0205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2172    1.6071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6552    0.2347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8276    1.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  2  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
  6  9  1  0  0  0  0
  7 11  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (3,893)
3893

>  <Formula> (3,893)
C14H12N2OS

>  <MolWeight> (3,893)
256.32288

>  <COMPOUND_NAME> (3,893)
WAY-389624

>  <BAR_CODE_NO> (3,893)
90481105

$$$$
WAY-394480
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
    9.4323   12.6524    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.6397   12.3964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9214   12.8093    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2114   12.3964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2114   11.5708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9214   11.1580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6397   11.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4323   11.3149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9111   11.9836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7367   11.9836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6975   10.5331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9132   10.3325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1941    9.9268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1858    9.1013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8966    8.6814    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4668    8.6957    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4569    7.8729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7383    7.4637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7244    6.6496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4373    6.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1560    6.6340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1657    7.4553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4276    5.4064    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7089    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.4148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0058    6.2432    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  9  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  2  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 22  2  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 26  1  0  0  0  0
 20 21  2  0  0  0  0
 20 23  1  0  0  0  0
 21 22  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (3,894)
3894

>  <Formula> (3,894)
C18H17N3O4S

>  <MolWeight> (3,894)
371.41028

>  <COMPOUND_NAME> (3,894)
WAY-394480

>  <BAR_CODE_NO> (3,894)
90459579

$$$$
WAY-625011
csChFnd80/06171916322D

 33 36  0  0  0  0  0  0  0  0999 V2000
   -2.3375   -0.4667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9500    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0583   -0.8792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2292    0.7708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6625   -0.0542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6625    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6250   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9500    2.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7500    0.2458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9250   -1.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6625   -1.7042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3750    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167    2.0083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9500   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3750   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6250    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6625    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3750   -1.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9500   -1.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3750    2.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6625    3.2458    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.7333   -0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9958   -1.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6625   -2.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5958   -2.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5333   -0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8333   -1.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4125   -2.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  7  2  2  0  0  0  0
  8  1  1  0  0  0  0
  9  2  1  0  0  0  0
 10  1  2  0  0  0  0
 11  1  2  0  0  0  0
 12 23  1  0  0  0  0
 13 21  2  0  0  0  0
 14  7  1  0  0  0  0
 15  5  2  0  0  0  0
 16  6  1  0  0  0  0
 17  6  1  0  0  0  0
 18  8  1  0  0  0  0
 19  8  2  0  0  0  0
 20 18  2  0  0  0  0
 21 19  1  0  0  0  0
 22  9  2  0  0  0  0
 23 17  1  0  0  0  0
 24 16  1  0  0  0  0
 25 22  1  0  0  0  0
 26 22  1  0  0  0  0
 27  3  1  0  0  0  0
 28  3  1  0  0  0  0
 29 12  1  0  0  0  0
 30 28  1  0  0  0  0
 31 27  1  0  0  0  0
 32 31  1  0  0  0  0
 33 30  1  0  0  0  0
 20 13  1  0  0  0  0
 33 32  1  0  0  0  0
 25 14  2  0  0  0  0
 12 24  1  0  0  0  0
M  END
>  <Mol_ID> (3,895)
3895

>  <Formula> (3,895)
C24H31ClN4O3S

>  <MolWeight> (3,895)
491.04594

>  <COMPOUND_NAME> (3,895)
WAY-625011

>  <BAR_CODE_NO> (3,895)
90459192

$$$$
WAY-625013
csChFnd80/06171916322D

 33 36  0  0  0  0  0  0  0  0999 V2000
    1.2042    1.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042    0.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917   -0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042    2.3333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042   -1.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042   -0.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917    0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208   -0.9750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9333   -0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0292    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042   -3.4500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9250   -0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9250    0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9250   -2.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917   -2.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9333    0.2625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6458   -0.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9250   -3.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917   -3.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3625   -0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7958    0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5083    0.6750    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.0750    0.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7958   -0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3625    0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0750   -0.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9250    2.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917    2.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042   -4.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917    3.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9250    3.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042    3.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  7  1  0  0  0  0
  4  1  1  0  0  0  0
  5  6  1  0  0  0  0
  6 13  1  0  0  0  0
  7  2  2  0  0  0  0
  8  3  1  0  0  0  0
  9  8  1  0  0  0  0
 10  1  2  0  0  0  0
 11  1  2  0  0  0  0
 12 20  1  0  0  0  0
 13 14  2  0  0  0  0
 14  2  1  0  0  0  0
 15  5  1  0  0  0  0
 16  5  1  0  0  0  0
 17  9  2  0  0  0  0
 18  9  1  0  0  0  0
 19 15  1  0  0  0  0
 20 16  1  0  0  0  0
 21 18  1  0  0  0  0
 22 25  2  0  0  0  0
 23 22  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  1  0  0  0  0
 26 21  1  0  0  0  0
 27 21  2  0  0  0  0
 28  4  1  0  0  0  0
 29  4  1  0  0  0  0
 30 12  1  0  0  0  0
 31 29  1  0  0  0  0
 32 28  1  0  0  0  0
 33 31  1  0  0  0  0
 33 32  1  0  0  0  0
  6  3  2  0  0  0  0
 19 12  1  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <Mol_ID> (3,896)
3896

>  <Formula> (3,896)
C24H31ClN4O3S

>  <MolWeight> (3,896)
491.04594

>  <COMPOUND_NAME> (3,896)
WAY-625013

>  <BAR_CODE_NO> (3,896)
90459194

$$$$
WAY-625016
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.1000   -0.8042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542   -1.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333   -2.2625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1583   -0.0250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3917    0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542   -2.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1375   -1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708    1.5458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1417    1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1375   -2.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6833   -1.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792   -0.5542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2833    1.8958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000   -3.7125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208    2.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208    0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042    0.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6917    1.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0250    1.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542    1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    1.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  3  1  0  0  0  0
  7  2  2  0  0  0  0
  8  9  1  0  0  0  0
  9  5  2  0  0  0  0
 10  7  1  0  0  0  0
 11  1  2  0  0  0  0
 12  1  2  0  0  0  0
 13 19  1  0  0  0  0
 14  6  1  0  0  0  0
 15  8  1  0  0  0  0
 16  8  1  0  0  0  0
 17  5  1  0  0  0  0
 18  9  1  0  0  0  0
 19 16  1  0  0  0  0
 20 15  1  0  0  0  0
 21 17  2  0  0  0  0
 22 21  1  0  0  0  0
 10  6  2  0  0  0  0
 22 18  2  0  0  0  0
 13 20  1  0  0  0  0
M  END
>  <Mol_ID> (3,897)
3897

>  <Formula> (3,897)
C14H15ClN2O3S2

>  <MolWeight> (3,897)
358.8635

>  <COMPOUND_NAME> (3,897)
WAY-625016

>  <BAR_CODE_NO> (3,897)
90459197

$$$$
WAY-625040
csChFnd80/06171916322D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.8417   -0.7417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417   -1.5667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292   -1.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833   -1.5667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833   -0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833    0.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292   -2.8042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2958    2.1458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417    0.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292    2.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417   -3.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2958    2.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  2  0  0  0  0
  5  7  1  0  0  0  0
  6  4  1  0  0  0  0
  7  4  1  0  0  0  0
  8  6  2  0  0  0  0
  9  3  1  0  0  0  0
 10  8  1  0  0  0  0
 11 10  1  0  0  0  0
 12  6  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15  9  1  0  0  0  0
 16 11  1  0  0  0  0
  5  3  1  0  0  0  0
 14 10  2  0  0  0  0
M  END
>  <Mol_ID> (3,898)
3898

>  <Formula> (3,898)
C11H13N3OS

>  <MolWeight> (3,898)
235.30542

>  <COMPOUND_NAME> (3,898)
WAY-625040

>  <BAR_CODE_NO> (3,898)
90459222

$$$$
WAY-625041
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.1250    1.9750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333    1.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1750    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583   -0.0875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6750    2.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1750   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6125    0.3250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6125   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042    3.3958    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7375    1.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4875    2.5333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333   -1.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4917    2.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    3.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8292    3.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1250   -2.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2333   -1.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9375   -3.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333   -2.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4958   -2.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1958   -3.8917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6458   -4.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  3  1  0  0  0  0
  8  7  1  0  0  0  0
  9  5  1  0  0  0  0
 10  1  2  0  0  0  0
 11  1  2  0  0  0  0
 12  6  1  0  0  0  0
 13  5  2  0  0  0  0
 14  9  1  0  0  0  0
 15 13  1  0  0  0  0
 16 12  1  0  0  0  0
 17 12  2  0  0  0  0
 18 20  2  0  0  0  0
 19 16  2  0  0  0  0
 20 17  1  0  0  0  0
 21 18  1  0  0  0  0
 22 21  1  0  0  0  0
 14 15  2  0  0  0  0
  8  6  2  0  0  0  0
 19 18  1  0  0  0  0
M  END
>  <Mol_ID> (3,899)
3899

>  <Formula> (3,899)
C14H12N2O3S3

>  <MolWeight> (3,899)
352.45168

>  <COMPOUND_NAME> (3,899)
WAY-625041

>  <BAR_CODE_NO> (3,899)
90459223

$$$$
WAY-625155
csChFnd80/06171916322D

 17 20  0  0  0  0  0  0  0  0999 V2000
    0.0750   -0.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458    2.3458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417    1.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667    0.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4500   -1.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9583   -1.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3375   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042   -1.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7333   -0.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6000   -1.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417    3.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    1.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    2.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4250   -2.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958   -1.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2583    0.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3 17  1  0  0  0  0
  4  1  1  0  0  0  0
  5 10  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  8  1  1  0  0  0  0
  9  1  1  0  0  0  0
 10  1  1  0  0  0  0
 11  2  1  0  0  0  0
 12  3  2  0  0  0  0
 13 12  1  0  0  0  0
 14  6  1  0  0  0  0
 15  5  1  0  0  0  0
 16  5  1  0  0  0  0
 17  4  1  0  0  0  0
 16  7  1  0  0  0  0
 15  6  1  0  0  0  0
 14  7  1  0  0  0  0
 11 13  2  0  0  0  0
M  END
>  <Mol_ID> (3,900)
3900

>  <Formula> (3,900)
C15H21NS

>  <MolWeight> (3,900)
247.39894

>  <COMPOUND_NAME> (3,900)
WAY-625155

>  <BAR_CODE_NO> (3,900)
90459337

$$$$
WAY-625305
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
    0.9792    0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0125   -0.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542   -0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3125   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   -1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2167    0.7208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6292    1.4333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3917    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2167    2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3917    2.1500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7708   -1.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6292    2.8625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4542    2.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792    1.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1667    3.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1667    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333   -0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958    0.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1875   -1.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6958   -1.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7875   -2.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2750   -1.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8583   -0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0333   -2.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6083   -0.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4583   -2.0792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5333   -2.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  8  2  0  0  0  0
  7  6  1  0  0  0  0
  8  1  1  0  0  0  0
  9 10  1  0  0  0  0
 10 14  1  0  0  0  0
 11  2  1  0  0  0  0
 12  9  1  0  0  0  0
 13 12  1  0  0  0  0
 14  8  1  0  0  0  0
 15 13  1  0  0  0  0
 16 13  1  0  0  0  0
 17 11  1  0  0  0  0
 18  3  1  0  0  0  0
 19 17  1  0  0  0  0
 20 25  2  0  0  0  0
 21  5  1  0  0  0  0
 22 19  1  0  0  0  0
 23 19  2  0  0  0  0
 24 22  2  0  0  0  0
 25 23  1  0  0  0  0
 26 20  1  0  0  0  0
 27 26  1  0  0  0  0
  5  2  1  0  0  0  0
  9  7  2  0  0  0  0
 15 16  1  0  0  0  0
 24 20  1  0  0  0  0
M  END
>  <Mol_ID> (3,901)
3901

>  <Formula> (3,901)
C21H26N4OS

>  <MolWeight> (3,901)
382.52234

>  <COMPOUND_NAME> (3,901)
WAY-625305

>  <BAR_CODE_NO> (3,901)
90459492

$$$$
WAY-625395
csChFnd80/06171916322D

 28 30  0  0  0  0  0  0  0  0999 V2000
    0.7000   -0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7875   -1.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5917   -1.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542   -0.6000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042   -1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7333    1.5458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208   -0.5167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1750   -2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208    0.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4458    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7333    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8250   -1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3417   -3.1125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.7208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4458    2.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1625   -0.3667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9292   -2.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6125   -2.0500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208    2.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1583    1.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7333    3.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3125   -1.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1583    3.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2250   -2.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0083   -2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8708    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8708    2.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6 11  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  7  1  0  0  0  0
 10  6  1  0  0  0  0
 11  9  1  0  0  0  0
 12  5  1  0  0  0  0
 13  8  2  0  0  0  0
 14  9  2  0  0  0  0
 15 10  2  0  0  0  0
 16 12  2  0  0  0  0
 17  3  1  0  0  0  0
 18  6  1  0  0  0  0
 19  8  1  0  0  0  0
 20 18  1  0  0  0  0
 21 10  1  0  0  0  0
 22 20  1  0  0  0  0
 23 12  1  0  0  0  0
 24 15  1  0  0  0  0
 25 19  1  0  0  0  0
 26 25  1  0  0  0  0
 27 21  2  0  0  0  0
 28 27  1  0  0  0  0
  5  3  2  0  0  0  0
 22 15  1  0  0  0  0
 28 24  2  0  0  0  0
M  END
>  <Mol_ID> (3,902)
3902

>  <Formula> (3,902)
C21H24N2O4S

>  <MolWeight> (3,902)
400.49126

>  <COMPOUND_NAME> (3,902)
WAY-625395

>  <BAR_CODE_NO> (3,902)
90459584

$$$$
WAY-625433
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
    0.8125   -0.1375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5625    3.8958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3250   -1.7042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833    3.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542    0.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5625    2.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3500    2.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3500    3.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5792   -2.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6167   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2625   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8750   -1.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167   -1.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1125    1.2583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292   -3.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792   -2.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0875   -4.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792   -3.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6417   -3.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458    0.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3083    1.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3417   -4.8417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0625    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0625    4.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1500   -5.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7833    2.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7833    3.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3 13  1  0  0  0  0
  4  6  2  0  0  0  0
  5  1  1  0  0  0  0
  6 21  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  3  1  0  0  0  0
 10  1  1  0  0  0  0
 11  1  1  0  0  0  0
 12 10  1  0  0  0  0
 13 11  1  0  0  0  0
 14  5  2  0  0  0  0
 15  9  2  0  0  0  0
 16  9  1  0  0  0  0
 17 19  1  0  0  0  0
 18 15  1  0  0  0  0
 19 16  2  0  0  0  0
 20  5  1  0  0  0  0
 21 23  1  0  0  0  0
 22 17  1  0  0  0  0
 23 20  1  0  0  0  0
 24  7  1  0  0  0  0
 25  8  1  0  0  0  0
 26 22  1  0  0  0  0
 27 24  2  0  0  0  0
 28 27  1  0  0  0  0
 12  3  1  0  0  0  0
 17 18  2  0  0  0  0
  8  2  1  0  0  0  0
 28 25  2  0  0  0  0
M  END
>  <Mol_ID> (3,903)
3903

>  <Formula> (3,903)
C23H27N3O2

>  <MolWeight> (3,903)
377.47938

>  <COMPOUND_NAME> (3,903)
WAY-625433

>  <BAR_CODE_NO> (3,903)
90459622

$$$$
WAY-625447
csChFnd80/06171916322D

 27 30  0  0  1  0  0  0  0  0999 V2000
   -0.8750   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3583    0.5083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3583   -0.8292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0500   -0.1542    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1458    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1458   -0.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3625    0.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1875    0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8375    1.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042    2.7333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3625   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1167    3.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6542    2.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8292    2.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000   -0.1542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0500   -1.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8583    0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8583   -0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8750   -1.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3625   -2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5708    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5708   -0.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0500   -3.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2875   -2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8750   -3.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  4  7  1  1  0  0  0
  8  7  1  0  0  0  0
  9 12  1  0  0  0  0
 10  9  1  0  0  0  0
 11  8  1  0  0  0  0
 12 11  2  0  0  0  0
 13  4  1  0  0  0  0
 14 10  1  0  0  0  0
 15  9  2  0  0  0  0
 16 15  1  0  0  0  0
 17  8  2  0  0  0  0
 18 13  1  0  0  0  0
 19  5  1  0  0  0  0
 20  6  1  0  0  0  0
 21 18  1  0  0  0  0
 22 18  2  0  0  0  0
 23 19  2  0  0  0  0
 24 20  2  0  0  0  0
 25 22  1  0  0  0  0
 26 21  2  0  0  0  0
 27 25  2  0  0  0  0
  6  5  2  0  0  0  0
 24 23  1  0  0  0  0
 27 26  1  0  0  0  0
 14 16  2  0  0  0  0
M  END
>  <Mol_ID> (3,904)
3904

>  <Formula> (3,904)
C22H19N3OS

>  <MolWeight> (3,904)
373.47076

>  <COMPOUND_NAME> (3,904)
WAY-625447

>  <BAR_CODE_NO> (3,904)
90459637

$$$$
WAY-625530
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -1.2750    0.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9333   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1125   -0.4125    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0500    0.3958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0875    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3500    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1625    1.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0292   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4333    2.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7708    1.6208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3333   -1.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0292   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7417   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8083    1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7417   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8833    2.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7083    0.7208    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4625   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417   -1.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0750    2.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4625   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1500    3.5208    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.1750   -2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8917   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  2  0  0  0  0
 10  7  2  0  0  0  0
 11 10  1  0  0  0  0
 12  9  1  0  0  0  0
 13  2  2  0  0  0  0
 14  3  2  0  0  0  0
 15 19  1  0  0  0  0
 16  7  1  0  0  0  0
 17 15  1  0  0  0  0
 18  8  1  0  0  0  0
 19 16  2  0  0  0  0
 20 11  1  0  0  0  0
 21 25  1  0  0  0  0
 22  9  1  0  0  0  0
 23 17  2  0  0  0  0
 24  4  1  0  0  0  0
 25 18  2  0  0  0  0
 26 20  2  0  0  0  0
 27 21  1  0  0  0  0
 28 23  1  0  0  0  0
 29 28  1  0  0  0  0
  5  4  1  0  0  0  0
 21 12  2  0  0  0  0
 15 11  2  0  0  0  0
 26 23  1  0  0  0  0
M  END
>  <Mol_ID> (3,905)
3905

>  <Formula> (3,905)
C22H18ClFN2O3

>  <MolWeight> (3,905)
412.8413232

>  <COMPOUND_NAME> (3,905)
WAY-625530

>  <BAR_CODE_NO> (3,905)
90459720

$$$$
WAY-625738
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -1.8500   -0.4667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5625   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8500    0.3583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5625    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4375   -0.4667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2833   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1333   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2833    0.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7167   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4375    0.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1500    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5625   -1.7042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5625    1.5958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1500   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8667    0.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7167   -1.7042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2917   -0.8792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208    0.3583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8667   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9958   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9958    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1500    1.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7083   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7083    0.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8667    2.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    1.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  9  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  4  1  0  0  0  0
  9 17  1  0  0  0  0
 10  5  1  0  0  0  0
 11  7  1  0  0  0  0
 12 10  1  0  0  0  0
 13  2  2  0  0  0  0
 14  4  2  0  0  0  0
 15  5  1  0  0  0  0
 16 21  1  0  0  0  0
 17 19  1  0  0  0  0
 18  9  2  0  0  0  0
 19 11  1  0  0  0  0
 20 11  2  0  0  0  0
 21 15  1  0  0  0  0
 22  6  1  0  0  0  0
 23  8  1  0  0  0  0
 24 12  1  0  0  0  0
 25 16  1  0  0  0  0
 26 22  2  0  0  0  0
 27 23  2  0  0  0  0
 28 24  2  0  0  0  0
 29 25  2  0  0  0  0
  8  6  2  0  0  0  0
 26 27  1  0  0  0  0
 16 12  2  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (3,906)
3906

>  <Formula> (3,906)
C21H19N3O5

>  <MolWeight> (3,906)
393.39266

>  <COMPOUND_NAME> (3,906)
WAY-625738

>  <BAR_CODE_NO> (3,906)
90459931

$$$$
WAY-625741
csChFnd80/06171916322D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -1.3708    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708    3.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583    2.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583    3.6958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542    2.4583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4875   -2.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1583    3.5458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4875   -1.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542    3.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6458    2.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1583    2.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667   -2.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667   -0.4292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583    1.2208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667   -1.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917   -2.9042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667   -3.7292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583   -0.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542   -2.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542    0.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542   -1.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917   -3.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4875   -4.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  8  1  0  0  0  0
  7  2  1  0  0  0  0
  8 16  2  0  0  0  0
  9 21  1  0  0  0  0
 10  5  2  0  0  0  0
 11 12  2  0  0  0  0
 12  1  1  0  0  0  0
 13 20  1  0  0  0  0
 14  9  1  0  0  0  0
 15  3  1  0  0  0  0
 16 14  1  0  0  0  0
 17  6  1  0  0  0  0
 18 13  1  0  0  0  0
 19  9  2  0  0  0  0
 20 22  2  0  0  0  0
 21 15  1  0  0  0  0
 22 16  1  0  0  0  0
 23 17  1  0  0  0  0
 24 18  1  0  0  0  0
 11  7  1  0  0  0  0
 10  4  1  0  0  0  0
 13  6  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (3,907)
3907

>  <Formula> (3,907)
C16H13N3O4S

>  <MolWeight> (3,907)
343.35712

>  <COMPOUND_NAME> (3,907)
WAY-625741

>  <BAR_CODE_NO> (3,907)
90459934

$$$$
WAY-625827
csChFnd80/06171916322D

 21 22  0  0  0  0  0  0  0  0999 V2000
    0.1000   -2.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7083   -2.2792    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.6500   -2.7167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542   -1.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2583   -1.6667    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.4958    0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5375    2.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9625   -3.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208    3.5458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958   -0.7042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2375    1.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2500    3.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5375    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2500    3.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000    0.5208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542   -2.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1625   -1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542    0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958    2.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7125   -1.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042   -3.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  2  1  0  0  0  0
  6 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8  2  2  0  0  0  0
  9  7  1  0  0  0  0
 10  4  1  0  0  0  0
 11  6  1  0  0  0  0
 12  7  2  0  0  0  0
 13  9  1  0  0  0  0
 14 12  1  0  0  0  0
 15  6  2  0  0  0  0
 16  3  2  0  0  0  0
 17  4  1  0  0  0  0
 18 10  1  0  0  0  0
 19 11  1  0  0  0  0
 20 17  2  0  0  0  0
 21 16  1  0  0  0  0
 20 16  1  0  0  0  0
 13 14  2  0  0  0  0
M  END
>  <Mol_ID> (3,908)
3908

>  <Formula> (3,908)
C13H13N3O5

>  <MolWeight> (3,908)
291.25942

>  <COMPOUND_NAME> (3,908)
WAY-625827

>  <BAR_CODE_NO> (3,908)
90460021

$$$$
WAY-625911
csChFnd80/06171916322D

 16 18  0  0  0  0  0  0  0  0999 V2000
    0.0292   -0.7917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292    0.0333    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.7417   -1.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6833    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -0.8667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6833    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7417    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292   -2.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7417    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958    0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0500   -1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292    1.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958    1.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6375   -2.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1125    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1125    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  2  0  0  0  0
  7  2  1  0  0  0  0
  8  3  1  0  0  0  0
  9  7  1  0  0  0  0
 10  4  1  0  0  0  0
 11  5  1  0  0  0  0
 12  9  1  0  0  0  0
 13  6  1  0  0  0  0
 14  8  1  0  0  0  0
 15 10  2  0  0  0  0
 16 15  1  0  0  0  0
 11 14  1  0  0  0  0
 12  6  1  0  0  0  0
 16 13  2  0  0  0  0
M  END
>  <Mol_ID> (3,909)
3909

>  <Formula> (3,909)
C14H18N2

>  <MolWeight> (3,909)
214.30612

>  <COMPOUND_NAME> (3,909)
WAY-625911

>  <BAR_CODE_NO> (3,909)
90460105

$$$$
WAY-625915
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
    1.1750    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9542    0.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1750    1.3083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2125   -0.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9542    1.5625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042   -0.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292   -1.2250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458    0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9917   -0.8125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9208   -1.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2125   -1.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9917   -1.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500   -1.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042    1.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333    1.1583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3375   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4958   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6708    0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8333   -0.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4083   -0.9417    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5833   -2.0917    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4333   -2.2750    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.9542   -2.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917    2.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458    1.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208    1.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0750    3.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8333    2.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  4  2  0  0  0  0
  8  2  1  0  0  0  0
  9  6  1  0  0  0  0
 10  4  1  0  0  0  0
 11 14  1  0  0  0  0
 12  7  1  0  0  0  0
 13 10  1  0  0  0  0
 14 19  2  0  0  0  0
 15  9  1  0  0  0  0
 16  3  1  0  0  0  0
 17  9  2  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 15  1  0  0  0  0
 21 15  2  0  0  0  0
 22 11  1  0  0  0  0
 23 11  1  0  0  0  0
 24 11  1  0  0  0  0
 25 12  1  0  0  0  0
 26 16  1  0  0  0  0
 27 16  2  0  0  0  0
 28 27  1  0  0  0  0
 29 26  2  0  0  0  0
 30 28  2  0  0  0  0
  5  8  2  0  0  0  0
 13 12  2  0  0  0  0
 14 18  1  0  0  0  0
 30 29  1  0  0  0  0
M  END
>  <Mol_ID> (3,910)
3910

>  <Formula> (3,910)
C21H15F3N4OS

>  <MolWeight> (3,910)
428.4302096

>  <COMPOUND_NAME> (3,910)
WAY-625915

>  <BAR_CODE_NO> (3,910)
90460109

$$$$
WAY-625929
csChFnd80/06171916322D

 22 25  0  0  0  0  0  0  0  0999 V2000
   -0.2958    1.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6750   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042    0.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5250    1.0875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6750   -1.6667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1125   -0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9792   -0.9167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208    0.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8292    0.5083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1125   -1.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5333    0.2000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3833    1.8208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083    0.1833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6708    1.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3375    0.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4208    1.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8958   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8958   -1.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3833   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1375   -0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  5  1  0  0  0  0
  4  2  2  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  2  1  0  0  0  0
  8 12  2  0  0  0  0
  9  1  1  0  0  0  0
 10  3  2  0  0  0  0
 11  7  2  0  0  0  0
 12 10  1  0  0  0  0
 13  9  1  0  0  0  0
 14  1  2  0  0  0  0
 15  1  2  0  0  0  0
 16  9  2  0  0  0  0
 17 13  1  0  0  0  0
 18 16  1  0  0  0  0
 19  7  1  0  0  0  0
 20 11  1  0  0  0  0
 21 19  1  0  0  0  0
 22 12  1  0  0  0  0
 17 18  2  0  0  0  0
  8  4  1  0  0  0  0
  6 11  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (3,911)
3911

>  <Formula> (3,911)
C14H13N3O2S3

>  <MolWeight> (3,911)
351.46692

>  <COMPOUND_NAME> (3,911)
WAY-625929

>  <BAR_CODE_NO> (3,911)
90460123

$$$$
WAY-625935
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -1.0958   -0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6750   -1.9417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5125   -0.7917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083   -1.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4250   -1.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542    0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4250   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417    0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4250    0.6708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6167    1.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6667    0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0958   -2.0917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9333    0.5125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167    1.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500   -1.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0625    2.3208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5875   -2.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2708   -0.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9750    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6750    2.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0375    2.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4792    2.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7792    1.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8417    2.3958    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2583   -3.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708   -4.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  1  2  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7 11  1  0  0  0  0
  8  1  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11  8  1  0  0  0  0
 12  7  1  0  0  0  0
 13 10  1  0  0  0  0
 14 13  1  0  0  0  0
 15 13  1  0  0  0  0
 16  5  2  0  0  0  0
 17  6  2  0  0  0  0
 18 12  1  0  0  0  0
 19  4  1  0  0  0  0
 20 12  2  0  0  0  0
 21  2  1  0  0  0  0
 22  3  1  0  0  0  0
 23 18  1  0  0  0  0
 24 18  2  0  0  0  0
 25 26  2  0  0  0  0
 26 24  1  0  0  0  0
 27 23  2  0  0  0  0
 28 25  1  0  0  0  0
 29 21  1  0  0  0  0
 30 29  1  0  0  0  0
  7 10  2  0  0  0  0
  5  2  1  0  0  0  0
 15 14  1  0  0  0  0
 25 27  1  0  0  0  0
M  END
>  <Mol_ID> (3,912)
3912

>  <Formula> (3,912)
C21H21FN4O3S

>  <MolWeight> (3,912)
428.4798432

>  <COMPOUND_NAME> (3,912)
WAY-625935

>  <BAR_CODE_NO> (3,912)
90460129

$$$$
WAY-625944
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
    1.0000   -1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167   -2.4042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792   -1.9917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792   -2.8167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000   -3.0750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7417   -0.9542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917   -0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0417    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1042   -0.5125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292    0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    1.5708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833    2.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7417   -3.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8875    2.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5917    1.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3375    1.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1458    3.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    1.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917   -4.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0417   -5.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2500    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9500    3.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5083    2.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  7  2  0  0  0  0
 10  8  2  0  0  0  0
 11 12  1  0  0  0  0
 12 10  1  0  0  0  0
 13 11  1  0  0  0  0
 14  5  1  0  0  0  0
 15 13  1  0  0  0  0
 16  8  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 15  1  0  0  0  0
 20 15  2  0  0  0  0
 21 14  1  0  0  0  0
 22 21  1  0  0  0  0
 23 20  1  0  0  0  0
 24 19  2  0  0  0  0
 25 23  2  0  0  0  0
  4  5  1  0  0  0  0
 18 12  2  0  0  0  0
 25 24  1  0  0  0  0
M  END
>  <Mol_ID> (3,913)
3913

>  <Formula> (3,913)
C18H19N5O2

>  <MolWeight> (3,913)
337.37576

>  <COMPOUND_NAME> (3,913)
WAY-625944

>  <BAR_CODE_NO> (3,913)
90460138

$$$$
WAY-625977
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -0.4375   -0.9042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2750   -1.3167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292   -0.9792    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2000   -0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1583   -0.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9792    0.0833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3625   -2.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5792   -1.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1542    0.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8500   -1.6167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0250   -0.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5417    1.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8708   -0.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7167    2.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5875    0.3833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667   -2.3042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.5833   -0.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1583    0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9417    1.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5833    0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8708    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    2.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542    1.1875    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.1125    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6667    3.3083    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.5042   -3.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2958   -0.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2958    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0208   -0.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0208    0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  2  1  0  0  0  0
  8  3  1  0  0  0  0
  9  6  1  0  0  0  0
 10  1  2  0  0  0  0
 11  1  2  0  0  0  0
 12  9  2  0  0  0  0
 13  5  2  0  0  0  0
 14 12  1  0  0  0  0
 15  4  2  0  0  0  0
 16  7  1  0  0  0  0
 17 13  1  0  0  0  0
 18  5  1  0  0  0  0
 19  9  1  0  0  0  0
 20 21  1  0  0  0  0
 21 18  2  0  0  0  0
 22 24  1  0  0  0  0
 23 12  1  0  0  0  0
 24 19  2  0  0  0  0
 25 22  1  0  0  0  0
 26 16  1  0  0  0  0
 27 17  1  0  0  0  0
 28 20  1  0  0  0  0
 29 27  2  0  0  0  0
 30 28  2  0  0  0  0
  8 16  1  0  0  0  0
 20 17  2  0  0  0  0
 29 30  1  0  0  0  0
 22 14  2  0  0  0  0
M  END
>  <Mol_ID> (3,914)
3914

>  <Formula> (3,914)
C21H18BrFN2O4S

>  <MolWeight> (3,914)
493.3460232

>  <COMPOUND_NAME> (3,914)
WAY-625977

>  <BAR_CODE_NO> (3,914)
90460171

$$$$
WAY-625980
csChFnd80/06171916322D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -0.9689    0.0724    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6749    0.6034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4409   -0.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2731    1.5364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4879    0.3694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2599   -0.4616    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3391    0.9514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2219    1.8604    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1311   -1.7336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0899    0.5284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1311   -1.1366    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7951    1.8514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6121   -2.0336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9839    1.1134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4259   -0.8246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0931    0.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6121   -0.8246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7889    1.6684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6121   -0.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0931   -1.1246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6501   -2.0336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  7  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  2  0  0  0  0
  7 10  1  0  0  0  0
  8 18  1  0  0  0  0
  9 11  1  0  0  0  0
 10  2  1  0  0  0  0
 11 17  1  0  0  0  0
 12  4  2  0  0  0  0
 13  9  2  0  0  0  0
 14  2  1  0  0  0  0
 15  3  1  0  0  0  0
 16  3  2  0  0  0  0
 17 19  2  0  0  0  0
 18 14  1  0  0  0  0
 19 16  1  0  0  0  0
 15 20  2  0  0  0  0
 21  9  1  0  0  0  0
 17 20  1  0  0  0  0
  4  8  1  0  0  0  0
M  END
>  <Mol_ID> (3,915)
3915

>  <Formula> (3,915)
C13H17N3O4S

>  <MolWeight> (3,915)
311.35678

>  <COMPOUND_NAME> (3,915)
WAY-625980

>  <BAR_CODE_NO> (3,915)
90460174

$$$$
WAY-625988
csChFnd80/06171916322D

 17 19  0  0  0  0  0  0  0  0999 V2000
    0.2417    0.4458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917   -0.3417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7250    1.1125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417    1.7833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458    1.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958   -0.5917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792   -0.0792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5292   -1.3792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667   -1.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5292   -2.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -2.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2583    0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2583    1.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9750    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9750    1.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  2  0  0  0  0
  7  4  2  0  0  0  0
  8  2  2  0  0  0  0
  9  2  2  0  0  0  0
 10  5  1  0  0  0  0
 11  5  2  0  0  0  0
 12 10  1  0  0  0  0
 13 11  1  0  0  0  0
 14  4  1  0  0  0  0
 15  7  1  0  0  0  0
 16 14  2  0  0  0  0
 17 16  1  0  0  0  0
  7  6  1  0  0  0  0
 17 15  2  0  0  0  0
 12 13  2  0  0  0  0
M  END
>  <Mol_ID> (3,916)
3916

>  <Formula> (3,916)
C10H7N3O2S2

>  <MolWeight> (3,916)
265.31148

>  <COMPOUND_NAME> (3,916)
WAY-625988

>  <BAR_CODE_NO> (3,916)
90460182

$$$$
WAY-625993
csChFnd80/06171916322D

 14 15  0  0  0  0  0  0  0  0999 V2000
    0.0205   -0.2205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0205    0.0692    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2072   -0.3826    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2515   -0.3826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0205    0.3485    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2588    0.0692    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3101    0.0692    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1175   -0.6515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1619   -0.6515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2072    0.5174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2515    0.5174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2900   -0.8826    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.1175    0.7899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1619    0.7899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
  8  9  2  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (3,917)
3917

>  <Formula> (3,917)
C8H10BrNO2S2

>  <MolWeight> (3,917)
296.2045

>  <COMPOUND_NAME> (3,917)
WAY-625993

>  <BAR_CODE_NO> (3,917)
90460187

$$$$
WAY-626033
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
    1.2917    1.4833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792    1.0708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8500    0.2458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5625   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7042    0.7708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792    2.2083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333    1.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8500    1.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5625   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2833    0.2458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2833   -1.4042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.7250    1.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042    2.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2833   -2.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4375    2.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2833   -3.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7250    3.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4375    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2833   -4.7042    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.1542    3.1333    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.5625   -2.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9958   -2.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5625   -3.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9958   -3.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3 11  1  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  2  0  0  0  0
  7  1  2  0  0  0  0
  8  2  1  0  0  0  0
  9  2  1  0  0  0  0
 10  8  1  0  0  0  0
 11  9  1  0  0  0  0
 12  4  1  0  0  0  0
 13  4  2  0  0  0  0
 14 12  1  0  0  0  0
 15  5  1  0  0  0  0
 16  5  2  0  0  0  0
 17 14  1  0  0  0  0
 18 20  2  0  0  0  0
 19 27  2  0  0  0  0
 20 16  1  0  0  0  0
 21 15  2  0  0  0  0
 22 19  1  0  0  0  0
 23 18  1  0  0  0  0
 24 17  1  0  0  0  0
 25 17  2  0  0  0  0
 26 24  2  0  0  0  0
 27 25  1  0  0  0  0
 18 21  1  0  0  0  0
 10  3  1  0  0  0  0
 26 19  1  0  0  0  0
M  END
>  <Mol_ID> (3,918)
3918

>  <Formula> (3,918)
C18H18ClFN2O3S2

>  <MolWeight> (3,918)
428.9285232

>  <COMPOUND_NAME> (3,918)
WAY-626033

>  <BAR_CODE_NO> (3,918)
90460227

$$$$
WAY-626058
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
    0.7042   -0.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917   -1.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042   -1.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333    2.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4625   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2208    3.1708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2208    1.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7083    2.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208    1.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208    3.3208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083    2.0833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208    0.8458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083    2.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9375   -2.5542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.7208   -0.8042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1792   -2.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8375   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4750    1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5333    2.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7875   -3.9750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542   -3.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7542   -2.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042   -4.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  5  1  0  0  0  0
  5 11  2  0  0  0  0
  6  7  2  0  0  0  0
  7  1  1  0  0  0  0
  8  4  1  0  0  0  0
  9  5  1  0  0  0  0
 10  9  2  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 11  1  0  0  0  0
 14  1  1  0  0  0  0
 15 17  1  0  0  0  0
 16 13  2  0  0  0  0
 17 14  1  0  0  0  0
 18  3  1  0  0  0  0
 19 14  2  0  0  0  0
 20  2  1  0  0  0  0
 21  6  1  0  0  0  0
 22  9  1  0  0  0  0
 23 10  1  0  0  0  0
 24 25  1  0  0  0  0
 25 18  1  0  0  0  0
 26 18  1  0  0  0  0
 27 24  1  0  0  0  0
  6  3  1  0  0  0  0
 12  4  2  0  0  0  0
 10  8  1  0  0  0  0
M  END
>  <Mol_ID> (3,919)
3919

>  <Formula> (3,919)
C20H25N3O2S2

>  <MolWeight> (3,919)
403.5614

>  <COMPOUND_NAME> (3,919)
WAY-626058

>  <BAR_CODE_NO> (3,919)
90460252

$$$$
WAY-626111
csChFnd80/06171916322D

 15 16  0  0  0  0  0  0  0  0999 V2000
    0.3292   -0.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292   -0.0167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0750   -1.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3833    2.8708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3833    0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3833    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -1.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542   -2.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292    1.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958    1.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7417   -2.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5958   -2.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833   -2.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4 10  2  0  0  0  0
  5  2  1  0  0  0  0
  6  5  1  0  0  0  0
  7  1  1  0  0  0  0
  8  3  1  0  0  0  0
  9 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11  6  1  0  0  0  0
 12  6  2  0  0  0  0
 13  8  1  0  0  0  0
 14  7  1  0  0  0  0
 15 14  1  0  0  0  0
 13 15  1  0  0  0  0
  4  9  1  0  0  0  0
M  END
>  <Mol_ID> (3,920)
3920

>  <Formula> (3,920)
C12H17N3

>  <MolWeight> (3,920)
203.28348

>  <COMPOUND_NAME> (3,920)
WAY-626111

>  <BAR_CODE_NO> (3,920)
90460305

$$$$
WAY-626116
csChFnd80/06171916322D

 30 34  0  0  0  0  0  0  0  0999 V2000
   -0.4625   -0.0542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2500    0.3583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2500    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667    1.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7500    1.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2292    2.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7500    2.6750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4625    1.5958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833   -1.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2500    2.8333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8958   -1.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0500   -0.7667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8750    0.6583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042    0.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4625    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6083   -1.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8958   -2.5292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3208   -1.7042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8958   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6083   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8125    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5167   -1.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7042   -0.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0667   -0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7667   -1.8000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6083   -2.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3208   -2.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  4  2  0  0  0  0
  8  7  1  0  0  0  0
  9  1  1  0  0  0  0
 10  3  2  0  0  0  0
 11  9  2  0  0  0  0
 12 17  2  0  0  0  0
 13 11  1  0  0  0  0
 14  1  2  0  0  0  0
 15  1  2  0  0  0  0
 16  5  1  0  0  0  0
 17 10  1  0  0  0  0
 18 22  1  0  0  0  0
 19 13  1  0  0  0  0
 20 18  1  0  0  0  0
 21  9  1  0  0  0  0
 22 21  2  0  0  0  0
 23 16  2  0  0  0  0
 24 16  1  0  0  0  0
 25 27  1  0  0  0  0
 26 23  1  0  0  0  0
 27 24  2  0  0  0  0
 28 25  1  0  0  0  0
 29 19  1  0  0  0  0
 30 20  1  0  0  0  0
 18 13  2  0  0  0  0
 12  7  1  0  0  0  0
  8  6  1  0  0  0  0
 29 30  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <Mol_ID> (3,921)
3921

>  <Formula> (3,921)
C20H14FN3O4S2

>  <MolWeight> (3,921)
443.4712632

>  <COMPOUND_NAME> (3,921)
WAY-626116

>  <BAR_CODE_NO> (3,921)
90460310

$$$$
WAY-626161
csChFnd80/06171916322D

 16 18  0  0  0  0  0  0  0  0999 V2000
   -0.0375   -0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5250    0.3583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7875   -0.3125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5250   -0.9792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2000    0.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3083    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3083   -0.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7875    1.1208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0250    0.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0250    0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0250   -1.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1917    0.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6042   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6042    0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7375   -0.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7375    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8  5  2  0  0  0  0
  9  5  1  0  0  0  0
 10  6  1  0  0  0  0
 11  7  1  0  0  0  0
 12 14  1  0  0  0  0
 13  9  1  0  0  0  0
 14  9  1  0  0  0  0
 15 11  2  0  0  0  0
 16 10  2  0  0  0  0
  7  6  2  0  0  0  0
 12 13  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (3,922)
3922

>  <Formula> (3,922)
C12H13N3O

>  <MolWeight> (3,922)
215.25112

>  <COMPOUND_NAME> (3,922)
WAY-626161

>  <BAR_CODE_NO> (3,922)
90460355

$$$$
WAY-626355-A
csChFnd80/06171916322D

 24 27  0  0  0  0  0  0  0  0999 V2000
    0.7292   -0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167   -0.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7292    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958   -0.3792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5167    0.6958    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5167   -0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167    0.8583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167   -1.6167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4125    1.6833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4125    0.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4125    3.3333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167   -3.2667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667   -1.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8250    0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7292   -2.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958   -2.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1250    2.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958    2.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958   -2.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7292   -2.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958    2.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1250    2.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  6  2  0  0  0  0
  9  7  2  0  0  0  0
 10  2  1  0  0  0  0
 11 12  1  0  0  0  0
 12  9  1  0  0  0  0
 13 23  1  0  0  0  0
 14 21  1  0  0  0  0
 15  6  1  0  0  0  0
 16  8  1  0  0  0  0
 17 10  1  0  0  0  0
 18 10  1  0  0  0  0
 19 11  1  0  0  0  0
 20 11  1  0  0  0  0
 21 18  1  0  0  0  0
 22 17  1  0  0  0  0
 23 20  1  0  0  0  0
 24 19  1  0  0  0  0
  5  8  1  0  0  0  0
  4  9  1  0  0  0  0
 14 22  1  0  0  0  0
 24 13  1  0  0  0  0
M  END
>  <Mol_ID> (3,923)
3923

>  <Formula> (3,923)
C17H24N4O2S

>  <MolWeight> (3,923)
348.46306

>  <COMPOUND_NAME> (3,923)
WAY-626355-A

>  <BAR_CODE_NO> (3,923)
90460552

$$$$
WAY-626577
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.9500    1.2250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833   -2.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1500   -2.5542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9500    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292    1.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8958   -3.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1875   -2.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708   -3.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292   -0.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292   -0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292    2.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6625   -0.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1958   -0.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3833   -4.0042    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.6625    1.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833    1.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6625    2.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9500    2.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833    2.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1958    1.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1958    2.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7 10  1  0  0  0  0
  8  2  2  0  0  0  0
  9  8  1  0  0  0  0
 10 11  1  0  0  0  0
 11  4  1  0  0  0  0
 12  5  2  0  0  0  0
 13  4  2  0  0  0  0
 14  7  2  0  0  0  0
 15  6  1  0  0  0  0
 16  1  1  0  0  0  0
 17  5  1  0  0  0  0
 18 16  1  0  0  0  0
 19 18  1  0  0  0  0
 20 12  1  0  0  0  0
 21 17  2  0  0  0  0
 22 21  1  0  0  0  0
 19 12  1  0  0  0  0
 22 20  2  0  0  0  0
  9  6  2  0  0  0  0
M  END
>  <Mol_ID> (3,924)
3924

>  <Formula> (3,924)
C16H14BrNO4

>  <MolWeight> (3,924)
364.19066

>  <COMPOUND_NAME> (3,924)
WAY-626577

>  <BAR_CODE_NO> (3,924)
90460784

$$$$
WAY-626625
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -0.2333   -2.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208   -1.9792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5500   -2.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333   -1.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5500   -1.5667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4875   -3.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3625    1.4833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042    2.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9542    4.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4875   -0.5250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542    2.8833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7792    5.0792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2958   -3.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7000    2.4458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7750    4.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    5.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1125    4.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000    1.0458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0625    0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042    3.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458   -2.9875    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.0625   -4.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5500   -4.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958   -4.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000   -5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  9  1  0  0  0  0
  8  7  1  0  0  0  0
  9 20  1  0  0  0  0
 10 21  1  0  0  0  0
 11  4  1  0  0  0  0
 12  8  1  0  0  0  0
 13 10  1  0  0  0  0
 14  6  2  0  0  0  0
 15  8  2  0  0  0  0
 16 10  2  0  0  0  0
 17 13  1  0  0  0  0
 18 16  1  0  0  0  0
 19  9  2  0  0  0  0
 20 11  1  0  0  0  0
 21 12  1  0  0  0  0
 22 14  1  0  0  0  0
 23  6  1  0  0  0  0
 24 14  1  0  0  0  0
 25 23  2  0  0  0  0
 26 25  1  0  0  0  0
  4  5  2  0  0  0  0
 26 24  2  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (3,925)
3925

>  <Formula> (3,925)
C16H14BrN5O3S

>  <MolWeight> (3,925)
436.28306

>  <COMPOUND_NAME> (3,925)
WAY-626625

>  <BAR_CODE_NO> (3,925)
90460832

$$$$
WAY-626637
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
    0.7250   -1.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0583    2.3708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6250    2.3708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6250    3.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0583    3.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458    3.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0917   -0.4792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042   -1.3125    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.6667   -2.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2250   -2.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4625   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6458   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9042   -1.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792   -2.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3125   -1.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458    1.1333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458   -0.5250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917   -1.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8417   -2.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2792   -2.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6250    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7708    3.6083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0875    3.6083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6833   -1.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  2  0  0  0  0
  3  4  1  0  0  0  0
  4 17  1  0  0  0  0
  5  3  2  0  0  0  0
  6  2  1  0  0  0  0
  7  5  1  0  0  0  0
  8  9  1  0  0  0  0
  9  1  1  0  0  0  0
 10  1  1  0  0  0  0
 11  1  1  0  0  0  0
 12  1  1  0  0  0  0
 13  8  1  0  0  0  0
 14 11  1  0  0  0  0
 15 10  1  0  0  0  0
 16 12  1  0  0  0  0
 17 22  1  0  0  0  0
 18 13  2  0  0  0  0
 19 14  1  0  0  0  0
 20 16  1  0  0  0  0
 21 16  1  0  0  0  0
 22 13  1  0  0  0  0
 23  6  1  0  0  0  0
 24  5  1  0  0  0  0
 25  9  1  0  0  0  0
 21 15  1  0  0  0  0
 14 20  1  0  0  0  0
 19 15  1  0  0  0  0
  7  6  2  0  0  0  0
M  END
>  <Mol_ID> (3,926)
3926

>  <Formula> (3,926)
C18H27N5OS

>  <MolWeight> (3,926)
361.50488

>  <COMPOUND_NAME> (3,926)
WAY-626637

>  <BAR_CODE_NO> (3,926)
90460844

$$$$
WAY-626689
csChFnd80/06171916322D

 32 34  0  0  0  0  0  0  0  0999 V2000
    3.9667    0.6458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.2542    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1708   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4583   -0.5917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1708    0.6458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4583    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8958   -0.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8958    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5417    0.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6875    1.0583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3792   -0.0667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5542    1.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2542   -0.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1125    0.6458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1708   -1.8292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8292    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458    0.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333    0.2333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000   -0.5917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208    0.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5417   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8292   -0.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9667   -1.0042    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.6000   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6000    0.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6875    1.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4000    0.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333   -0.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3208   -0.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3208    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  6  1  0  0  0  0
  5  6  2  0  0  0  0
  6 18  1  0  0  0  0
  7  8  2  0  0  0  0
  8  5  1  0  0  0  0
  9  2  1  0  0  0  0
 10  1  1  0  0  0  0
 11 15  1  0  0  0  0
 12  1  2  0  0  0  0
 13  1  2  0  0  0  0
 14  2  2  0  0  0  0
 15 17  1  0  0  0  0
 16  3  2  0  0  0  0
 17  9  2  0  0  0  0
 18 19  1  0  0  0  0
 19 21  1  0  0  0  0
 20 11  2  0  0  0  0
 21 11  1  0  0  0  0
 22 14  1  0  0  0  0
 23 22  2  0  0  0  0
 24 14  1  0  0  0  0
 25  7  1  0  0  0  0
 26  8  1  0  0  0  0
 27 10  1  0  0  0  0
 28 10  1  0  0  0  0
 29 19  1  0  0  0  0
 30 32  1  0  0  0  0
 31 29  1  0  0  0  0
 32 26  2  0  0  0  0
 23 17  1  0  0  0  0
  7  3  1  0  0  0  0
 25 30  2  0  0  0  0
M  END
>  <Mol_ID> (3,927)
3927

>  <Formula> (3,927)
C21H24ClN5O4S

>  <MolWeight> (3,927)
477.96436

>  <COMPOUND_NAME> (3,927)
WAY-626689

>  <BAR_CODE_NO> (3,927)
90460896

$$$$
WAY-626717
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
    1.1292    0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000    0.1833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1292    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    1.4208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9125    1.2583    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9125   -0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3917    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208    1.4208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -1.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208   -1.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458   -1.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1667   -0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583   -1.4667    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.2167    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  3  1  0  0  0  0
  8  1  1  0  0  0  0
  9  8  2  0  0  0  0
 10  2  1  0  0  0  0
 11  4  2  0  0  0  0
 12  5  2  0  0  0  0
 13 10  1  0  0  0  0
 14 10  2  0  0  0  0
 15 18  2  0  0  0  0
 16  8  1  0  0  0  0
 17 13  2  0  0  0  0
 18 14  1  0  0  0  0
 19 15  1  0  0  0  0
 20  9  1  0  0  0  0
  7  9  1  0  0  0  0
  4  6  1  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <Mol_ID> (3,928)
3928

>  <Formula> (3,928)
C14H11FN2OS2

>  <MolWeight> (3,928)
306.3783432

>  <COMPOUND_NAME> (3,928)
WAY-626717

>  <BAR_CODE_NO> (3,928)
90460926

$$$$
WAY-626824
csChFnd80/06171916322D

 20 21  0  0  0  0  0  0  0  0999 V2000
    0.0250    2.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333    1.8458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8042    2.8833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167    1.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583    3.2958    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458   -2.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458   -1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1292    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6625   -2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3625   -0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167   -1.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083   -2.0792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6167   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4000   -3.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8042    3.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0250    3.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0583   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1500   -3.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  2  0  0  0  0
  9  4  2  0  0  0  0
 10 13  2  0  0  0  0
 11 15  1  0  0  0  0
 12  4  1  0  0  0  0
 13 11  1  0  0  0  0
 14  6  1  0  0  0  0
 15 12  1  0  0  0  0
 16  7  1  0  0  0  0
 17  3  1  0  0  0  0
 18  5  1  0  0  0  0
 19 14  1  0  0  0  0
 20 16  1  0  0  0  0
 18 17  1  0  0  0  0
  7  6  2  0  0  0  0
M  END
>  <Mol_ID> (3,929)
3929

>  <Formula> (3,929)
C14H18N2O3S

>  <MolWeight> (3,929)
294.36932

>  <COMPOUND_NAME> (3,929)
WAY-626824

>  <BAR_CODE_NO> (3,929)
90461037

$$$$
WAY-626831
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    1.7500   -0.8292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7500    0.5083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5375    0.2458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5375   -0.5792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4917   -1.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417   -0.1667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2083    1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    1.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0333    1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958    0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0333    2.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6917   -1.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292    0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958    1.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2083   -0.1667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2083    2.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2708    1.9833    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    3.4083    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292   -2.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0500   -2.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7917   -3.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9875   -3.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708   -2.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
 10  8  2  0  0  0  0
 11 14  1  0  0  0  0
 12 17  1  0  0  0  0
 13  6  1  0  0  0  0
 14  7  1  0  0  0  0
 15  8  1  0  0  0  0
 16 11  2  0  0  0  0
 17 15  2  0  0  0  0
 18  9  1  0  0  0  0
 19 12  1  0  0  0  0
 20 13  2  0  0  0  0
 21  6  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 20  1  0  0  0  0
  3  4  1  0  0  0  0
 23 20  1  0  0  0  0
 12  9  2  0  0  0  0
M  END
>  <Mol_ID> (3,930)
3930

>  <Formula> (3,930)
C16H12F2N4OS

>  <MolWeight> (3,930)
346.3544864

>  <COMPOUND_NAME> (3,930)
WAY-626831

>  <BAR_CODE_NO> (3,930)
90461044

$$$$
WAY-626837
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -1.3583    1.6958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6458   -1.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6458   -2.0167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3583    0.0458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667   -2.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7875   -1.1917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7875   -2.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3583   -0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6458    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0708    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3583    2.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667   -0.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0708    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6458    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667   -3.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -2.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0708    2.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6458    2.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2167   -1.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7875   -3.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -3.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6458    3.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0708    3.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2167    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9292   -0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3583    4.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9292    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  8  1  0  0  0  0
  3  2  1  0  0  0  0
  4 13  1  0  0  0  0
  5  3  1  0  0  0  0
  6  7  1  0  0  0  0
  7  5  2  0  0  0  0
  8  4  1  0  0  0  0
  9  1  1  0  0  0  0
 10  1  1  0  0  0  0
 11  1  1  0  0  0  0
 12  2  2  0  0  0  0
 13 10  1  0  0  0  0
 14  9  1  0  0  0  0
 15  6  1  0  0  0  0
 16  5  1  0  0  0  0
 17  7  1  0  0  0  0
 18 11  2  0  0  0  0
 19 11  1  0  0  0  0
 20 15  1  0  0  0  0
 21 15  2  0  0  0  0
 22 16  2  0  0  0  0
 23 22  1  0  0  0  0
 24 19  2  0  0  0  0
 25 18  1  0  0  0  0
 26 21  1  0  0  0  0
 27 20  2  0  0  0  0
 28 24  1  0  0  0  0
 29 26  2  0  0  0  0
 14  4  1  0  0  0  0
 28 25  2  0  0  0  0
 23 17  2  0  0  0  0
 29 27  1  0  0  0  0
M  END
>  <Mol_ID> (3,931)
3931

>  <Formula> (3,931)
C24H25N3OS

>  <MolWeight> (3,931)
403.5398

>  <COMPOUND_NAME> (3,931)
WAY-626837

>  <BAR_CODE_NO> (3,931)
90461050

$$$$
WAY-626848
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -0.1458   -1.7875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667   -0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458   -0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792   -1.7875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667   -2.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792   -0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667    0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792    1.5125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792    0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667    1.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583   -2.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667   -3.0250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583   -0.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458    0.6875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5750   -1.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458    1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792    3.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458    3.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5750   -0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2875   -2.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583    1.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0083   -1.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2875   -0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0083   -0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  2  1  0  0  0  0
  8  9  1  0  0  0  0
  9  7  1  0  0  0  0
 10  8  1  0  0  0  0
 11  1  1  0  0  0  0
 12  5  2  0  0  0  0
 13  6  2  0  0  0  0
 14  3  1  0  0  0  0
 15  7  2  0  0  0  0
 16 10  2  0  0  0  0
 17  4  1  0  0  0  0
 18  8  1  0  0  0  0
 19 11  1  0  0  0  0
 20 18  1  0  0  0  0
 21 10  1  0  0  0  0
 22 20  1  0  0  0  0
 23 16  1  0  0  0  0
 24 19  1  0  0  0  0
 25 19  2  0  0  0  0
 26 21  2  0  0  0  0
 27 26  1  0  0  0  0
 28 25  1  0  0  0  0
 29 24  2  0  0  0  0
 30 28  2  0  0  0  0
  2  6  1  0  0  0  0
 30 29  1  0  0  0  0
 22 16  1  0  0  0  0
 27 23  2  0  0  0  0
M  END
>  <Mol_ID> (3,932)
3932

>  <Formula> (3,932)
C23H24N4O3

>  <MolWeight> (3,932)
404.46166

>  <COMPOUND_NAME> (3,932)
WAY-626848

>  <BAR_CODE_NO> (3,932)
90461062

$$$$
WAY-627095
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
   -0.5583   -2.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708   -1.6042    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.1542   -1.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542   -0.7792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5583   -2.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542    0.8708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542   -3.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542   -4.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542    1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8750   -2.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708   -0.7792    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.9833   -2.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8750   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5583   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5583    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8750    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8750   -2.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8750   -4.4917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8750    2.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5583    2.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5583   -4.4917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5583    2.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5875    1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8750    2.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708    1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3042    2.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5875    3.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9833    2.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708    3.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3042    2.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9833    2.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6 15  1  0  0  0  0
  7  5  2  0  0  0  0
  8  7  1  0  0  0  0
  9  6  1  0  0  0  0
 10  3  1  0  0  0  0
 11  2  1  0  0  0  0
 12  2  2  0  0  0  0
 13  4  1  0  0  0  0
 14  4  1  0  0  0  0
 15 14  1  0  0  0  0
 16 13  1  0  0  0  0
 17  7  1  0  0  0  0
 18  8  2  0  0  0  0
 19  9  1  0  0  0  0
 20  9  1  0  0  0  0
 21  8  1  0  0  0  0
 22 20  1  0  0  0  0
 23 19  1  0  0  0  0
 24 19  2  0  0  0  0
 25 20  2  0  0  0  0
 26 23  2  0  0  0  0
 27 24  1  0  0  0  0
 28 25  1  0  0  0  0
 29 22  2  0  0  0  0
 30 27  2  0  0  0  0
 31 28  2  0  0  0  0
 10 17  2  0  0  0  0
  6 16  1  0  0  0  0
 31 29  1  0  0  0  0
 30 26  1  0  0  0  0
M  END
>  <Mol_ID> (3,933)
3933

>  <Formula> (3,933)
C24H24N4O3

>  <MolWeight> (3,933)
416.47236

>  <COMPOUND_NAME> (3,933)
WAY-627095

>  <BAR_CODE_NO> (3,933)
90461312

$$$$
WAY-627177
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -0.5000   -1.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9833   -2.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000   -3.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2875   -1.9792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2875   -2.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0750    1.8833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2500    1.7458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6375    2.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0917    1.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167    0.9875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583   -0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583   -3.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583    0.4583    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7250    3.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000   -0.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5583   -0.7667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5583   -4.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8083   -2.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9542   -3.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000   -4.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792    3.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542    3.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1417    4.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5667    4.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8917    4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8  6  1  0  0  0  0
  9 13  1  0  0  0  0
 10  9  2  0  0  0  0
 11  1  1  0  0  0  0
 12  3  1  0  0  0  0
 13 15  1  0  0  0  0
 14  8  1  0  0  0  0
 15 11  1  0  0  0  0
 16 11  2  0  0  0  0
 17 12  2  0  0  0  0
 18  2  1  0  0  0  0
 19  5  1  0  0  0  0
 20 12  1  0  0  0  0
 21 14  1  0  0  0  0
 22 14  2  0  0  0  0
 23 22  1  0  0  0  0
 24 21  2  0  0  0  0
 25 23  2  0  0  0  0
  5  3  2  0  0  0  0
  8  7  2  0  0  0  0
 25 24  1  0  0  0  0
M  END
>  <Mol_ID> (3,934)
3934

>  <Formula> (3,934)
C18H17N3O3S

>  <MolWeight> (3,934)
355.41088

>  <COMPOUND_NAME> (3,934)
WAY-627177

>  <BAR_CODE_NO> (3,934)
90461394

$$$$
WAY-627209
csChFnd80/06171916322D

 33 36  0  0  0  0  0  0  0  0999 V2000
    0.2375    1.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375    2.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333    1.8208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5500    2.4833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167    0.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5500    1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042    0.9208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3125   -2.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9792   -2.5125    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.4000   -1.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7292   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542   -2.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667   -3.1792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042    2.7208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6375    0.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083    0.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8917   -3.3292    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.8083    3.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7292   -2.1750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1083   -1.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208   -1.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8583    1.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8083    0.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833   -3.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500    3.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6083    3.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583   -4.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958   -3.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8708    4.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083    4.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6083   -3.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2750   -4.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3125    4.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  6  1  0  0  0  0
  4  2  1  0  0  0  0
  5  7  1  0  0  0  0
  6  1  2  0  0  0  0
  7  1  1  0  0  0  0
  8 10  1  0  0  0  0
  9  8  1  0  0  0  0
 10 11  2  0  0  0  0
 11  5  1  0  0  0  0
 12 20  1  0  0  0  0
 13 12  1  0  0  0  0
 14  2  2  0  0  0  0
 15  5  2  0  0  0  0
 16  5  2  0  0  0  0
 17  9  1  0  0  0  0
 18  4  1  0  0  0  0
 19  9  2  0  0  0  0
 20 21  2  0  0  0  0
 21 11  1  0  0  0  0
 22  3  1  0  0  0  0
 23  6  1  0  0  0  0
 24 13  1  0  0  0  0
 25 18  1  0  0  0  0
 26 18  2  0  0  0  0
 27 24  1  0  0  0  0
 28 24  1  0  0  0  0
 29 26  1  0  0  0  0
 30 25  2  0  0  0  0
 31 28  1  0  0  0  0
 32 27  1  0  0  0  0
 33 29  2  0  0  0  0
  3  4  1  0  0  0  0
 12  8  2  0  0  0  0
 33 30  1  0  0  0  0
 32 31  1  0  0  0  0
M  END
>  <Mol_ID> (3,935)
3935

>  <Formula> (3,935)
C22H25N5O5S

>  <MolWeight> (3,935)
471.5294

>  <COMPOUND_NAME> (3,935)
WAY-627209

>  <BAR_CODE_NO> (3,935)
90461426

$$$$
WAY-627554
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -0.3750    0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583    0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750    1.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    1.3458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333   -0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6833    0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708    0.2625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0750   -1.1292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792    1.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292   -2.3542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9583    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333   -0.6917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9583    1.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333   -1.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167   -2.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5792   -2.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8292    1.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917    2.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333   -3.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3250   -3.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542    3.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    1.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167   -3.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  5  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  6  1  0  0  0  0
 10  4  1  0  0  0  0
 11  7  2  0  0  0  0
 12 17  2  0  0  0  0
 13  8  1  0  0  0  0
 14  6  2  0  0  0  0
 15 11  1  0  0  0  0
 16  9  1  0  0  0  0
 17 16  1  0  0  0  0
 18 12  1  0  0  0  0
 19 10  1  0  0  0  0
 20 10  2  0  0  0  0
 21 17  1  0  0  0  0
 22 25  1  0  0  0  0
 23 20  1  0  0  0  0
 24 19  2  0  0  0  0
 25 21  2  0  0  0  0
 26 23  2  0  0  0  0
  3  4  1  0  0  0  0
 13 15  2  0  0  0  0
 26 24  1  0  0  0  0
 22 18  2  0  0  0  0
M  END
>  <Mol_ID> (3,936)
3936

>  <Formula> (3,936)
C20H16N4OS

>  <MolWeight> (3,936)
360.43224

>  <COMPOUND_NAME> (3,936)
WAY-627554

>  <BAR_CODE_NO> (3,936)
90461784

$$$$
WAY-627576
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
    0.5792    1.3583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1125   -2.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292    1.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458   -3.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6250   -0.8292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0125    4.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792    2.7583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958    4.8125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792   -0.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167   -2.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4375   -1.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7750    1.7958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833    0.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458   -3.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667    4.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0125    5.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667    5.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1750   -1.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708    3.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -2.7375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -3.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2083   -4.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542   -4.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6500   -4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 11  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6 10  1  0  0  0  0
  7 21  1  0  0  0  0
  8  3  1  0  0  0  0
  9  7  1  0  0  0  0
 10  4  1  0  0  0  0
 11 20  1  0  0  0  0
 12 19  1  0  0  0  0
 13  3  2  0  0  0  0
 14  4  2  0  0  0  0
 15  5  2  0  0  0  0
 16  7  2  0  0  0  0
 17  9  1  0  0  0  0
 18 16  1  0  0  0  0
 19  6  1  0  0  0  0
 20  6  1  0  0  0  0
 21  8  1  0  0  0  0
 22 15  1  0  0  0  0
 23  5  1  0  0  0  0
 24 15  1  0  0  0  0
 25 23  2  0  0  0  0
 26 25  1  0  0  0  0
  2 12  1  0  0  0  0
 17 18  2  0  0  0  0
 26 24  2  0  0  0  0
M  END
>  <Mol_ID> (3,937)
3937

>  <Formula> (3,937)
C18H22N4O4

>  <MolWeight> (3,937)
358.39168

>  <COMPOUND_NAME> (3,937)
WAY-627576

>  <BAR_CODE_NO> (3,937)
90461807

$$$$
WAY-627237
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
    0.1125   -0.6292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1125    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6000   -1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6000    0.6083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208   -0.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542    0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5625    0.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1500    1.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3417    1.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0042    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292    0.6083    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5417    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4583    0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0333    0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0333   -1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7458    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6000   -1.8667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7458   -0.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292   -1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1750    0.1958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292   -1.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5417   -2.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4583    1.4333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292    1.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1792   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6 13  1  0  0  0  0
  7  5  2  0  0  0  0
  8 11  2  0  0  0  0
  9 10  1  0  0  0  0
 10  6  2  0  0  0  0
 11  6  1  0  0  0  0
 12  2  1  0  0  0  0
 13 12  1  0  0  0  0
 14 17  1  0  0  0  0
 15  7  1  0  0  0  0
 16  5  1  0  0  0  0
 17 19  1  0  0  0  0
 18  3  2  0  0  0  0
 19 16  2  0  0  0  0
 20  1  1  0  0  0  0
 21 14  2  0  0  0  0
 22 20  1  0  0  0  0
 23 22  2  0  0  0  0
 24 14  1  0  0  0  0
 25 10  1  0  0  0  0
 26 11  1  0  0  0  0
  7  4  1  0  0  0  0
 15 17  2  0  0  0  0
  9  8  1  0  0  0  0
M  END
>  <Mol_ID> (3,938)
3938

>  <Formula> (3,938)
C18H17N3O4S

>  <MolWeight> (3,938)
371.41028

>  <COMPOUND_NAME> (3,938)
WAY-627237

>  <BAR_CODE_NO> (3,938)
90461455

$$$$
WAY-627253
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -2.4458    2.0458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917   -1.2542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042   -1.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    0.8083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208    2.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -0.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7167   -0.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667   -0.0917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1625    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1625    0.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8750    2.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6417   -2.1792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8750    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083   -0.0167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    3.2833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083    0.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4542   -2.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1000   -2.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9417   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7917   -3.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7667   -1.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6167   -3.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5958    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9167   -2.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  8  1  0  0  0  0
  5  4  1  0  0  0  0
  6  2  2  0  0  0  0
  7  3  1  0  0  0  0
  8 17  1  0  0  0  0
  9 10  1  0  0  0  0
 10  8  2  0  0  0  0
 11  7  2  0  0  0  0
 12  1  1  0  0  0  0
 13  2  1  0  0  0  0
 14 12  2  0  0  0  0
 15  5  1  0  0  0  0
 16 14  1  0  0  0  0
 17 19  1  0  0  0  0
 18  3  2  0  0  0  0
 19 11  1  0  0  0  0
 20 15  1  0  0  0  0
 21 25  2  0  0  0  0
 22 20  1  0  0  0  0
 23 20  2  0  0  0  0
 24 22  2  0  0  0  0
 25 23  1  0  0  0  0
 26 14  1  0  0  0  0
 27 21  1  0  0  0  0
 16 13  2  0  0  0  0
 11  6  1  0  0  0  0
  9  5  2  0  0  0  0
 24 21  1  0  0  0  0
M  END
>  <Mol_ID> (3,939)
3939

>  <Formula> (3,939)
C19H17N5OS2

>  <MolWeight> (3,939)
395.50118

>  <COMPOUND_NAME> (3,939)
WAY-627253

>  <BAR_CODE_NO> (3,939)
90461471

$$$$
WAY-627263
csChFnd80/06171916322D

 29 31  0  0  0  0  0  0  0  0999 V2000
   -1.1583   -1.8292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458   -1.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8750   -2.2417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5708   -1.1167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458   -2.5417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667   -1.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458   -0.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792    1.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6917    3.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792    1.8833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6917    2.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792    3.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6917    0.6458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3083   -3.0667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792   -1.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667    0.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5875   -1.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8750   -3.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792   -0.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667    3.1208    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.2667   -2.6542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5875   -3.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3083   -2.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4125    3.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792    4.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792   -3.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4125    4.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6917    4.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  1  2  0  0  0  0
  6  2  2  0  0  0  0
  7  2  1  0  0  0  0
  8 17  1  0  0  0  0
  9 11  1  0  0  0  0
 10  8  1  0  0  0  0
 11 10  1  0  0  0  0
 12  7  2  0  0  0  0
 13  9  2  0  0  0  0
 14  8  2  0  0  0  0
 15 23  1  0  0  0  0
 16  6  1  0  0  0  0
 17 12  1  0  0  0  0
 18  3  1  0  0  0  0
 19  3  1  0  0  0  0
 20 12  1  0  0  0  0
 21 13  1  0  0  0  0
 22  6  1  0  0  0  0
 23 19  1  0  0  0  0
 24 18  1  0  0  0  0
 25  9  1  0  0  0  0
 26 13  1  0  0  0  0
 27 22  1  0  0  0  0
 28 25  2  0  0  0  0
 29 28  1  0  0  0  0
 15 24  1  0  0  0  0
 20 16  2  0  0  0  0
 29 26  2  0  0  0  0
M  END
>  <Mol_ID> (3,940)
3940

>  <Formula> (3,940)
C20H23ClN2O5S

>  <MolWeight> (3,940)
438.92502

>  <COMPOUND_NAME> (3,940)
WAY-627263

>  <BAR_CODE_NO> (3,940)
90461481

$$$$
WAY-627288
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
    0.8500    1.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1375    1.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2958   -3.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5667    1.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1375    0.7458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833   -2.9667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5667    0.7458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2958   -1.7292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8500    0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833   -2.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0083   -2.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0083   -2.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8500    2.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2792    1.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5667    3.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2792    2.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833    1.9833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2958   -4.2042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8500   -0.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1375   -1.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1375   -0.9042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5667    4.0417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9917    3.2208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7208   -3.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7208   -1.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833   -0.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2792    4.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7042    2.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4375   -2.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2958   -0.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4375   -2.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  6  1  0  0  0  0
  4  1  2  0  0  0  0
  5  2  1  0  0  0  0
  6 10  1  0  0  0  0
  7  4  1  0  0  0  0
  8 10  2  0  0  0  0
  9  7  2  0  0  0  0
 10 20  1  0  0  0  0
 11 12  2  0  0  0  0
 12  8  1  0  0  0  0
 13  1  1  0  0  0  0
 14  4  1  0  0  0  0
 15 13  2  0  0  0  0
 16 15  1  0  0  0  0
 17  2  2  0  0  0  0
 18  3  2  0  0  0  0
 19  9  1  0  0  0  0
 20 21  1  0  0  0  0
 21 19  1  0  0  0  0
 22 15  1  0  0  0  0
 23 16  1  0  0  0  0
 24 11  1  0  0  0  0
 25 12  1  0  0  0  0
 26 21  1  0  0  0  0
 27 22  1  0  0  0  0
 28 23  1  0  0  0  0
 29 31  1  0  0  0  0
 30 26  1  0  0  0  0
 31 25  2  0  0  0  0
 16 14  2  0  0  0  0
  9  5  1  0  0  0  0
 11  3  1  0  0  0  0
 24 29  2  0  0  0  0
M  END
>  <Mol_ID> (3,941)
3941

>  <Formula> (3,941)
C22H23N5O4

>  <MolWeight> (3,941)
421.44912

>  <COMPOUND_NAME> (3,941)
WAY-627288

>  <BAR_CODE_NO> (3,941)
90461507

$$$$
WAY-627299
csChFnd80/06171916322D

 23 26  0  0  0  0  0  0  0  0999 V2000
   -0.0583    0.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458    1.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292    1.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583    2.2083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5583    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042   -0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1042   -2.0792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167   -1.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542   -0.8667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1042   -2.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8375   -2.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167   -3.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2708    1.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5542    0.5333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5583    2.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2708    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667   -1.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5583   -0.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9833    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2708   -0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9833   -0.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  2  2  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9 10  1  0  0  0  0
 10 19  1  0  0  0  0
 11  8  1  0  0  0  0
 12  9  1  0  0  0  0
 13 10  2  0  0  0  0
 14 13  1  0  0  0  0
 15  5  2  0  0  0  0
 16  8  2  0  0  0  0
 17  6  1  0  0  0  0
 18 17  2  0  0  0  0
 19 11  1  0  0  0  0
 20  5  1  0  0  0  0
 21 15  1  0  0  0  0
 22 20  2  0  0  0  0
 23 22  1  0  0  0  0
  6  4  1  0  0  0  0
 15 18  1  0  0  0  0
 23 21  2  0  0  0  0
 12 14  2  0  0  0  0
M  END
>  <Mol_ID> (3,942)
3942

>  <Formula> (3,942)
C19H15NO2S

>  <MolWeight> (3,942)
321.3929

>  <COMPOUND_NAME> (3,942)
WAY-627299

>  <BAR_CODE_NO> (3,942)
90461518

$$$$
WAY-644841
csChFnd80/06171916322D

 16 18  0  0  0  0  0  0  0  0999 V2000
   -0.4000    0.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792    0.7208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792   -0.6125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2250    0.0583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667    0.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5792   -0.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5792    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8750    0.0583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2917   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0125   -0.7667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2917    0.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6375    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6375   -0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4625   -0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4625    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8  6  1  0  0  0  0
  9 15  1  0  0  0  0
 10  7  2  0  0  0  0
 11 10  1  0  0  0  0
 12  8  2  0  0  0  0
 13  5  1  0  0  0  0
 14  5  1  0  0  0  0
 15 14  1  0  0  0  0
 16 13  1  0  0  0  0
  4  6  2  0  0  0  0
  9 16  1  0  0  0  0
 12 10  1  0  0  0  0
M  END
>  <Mol_ID> (3,943)
3943

>  <Formula> (3,943)
C11H13N3OS

>  <MolWeight> (3,943)
235.30542

>  <COMPOUND_NAME> (3,943)
WAY-644841

>  <BAR_CODE_NO> (3,943)
90479423

$$$$
WAY-644849
csChFnd80/06171916322D

 34 38  0  0  0  0  0  0  0  0999 V2000
   -1.1083    2.3958    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292   -0.1792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0167    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8000    0.2333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0167   -0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8000   -0.5917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208    2.5708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000    2.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7625    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0542   -3.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042   -3.6417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7625   -1.6375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458    1.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9375    3.2083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2833    1.5875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3125   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2500   -3.2042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5333    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500    3.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2500    2.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4375   -4.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4292   -3.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3125    1.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0542    2.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7083   -0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7083    0.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0708    3.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1542   -4.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7667   -4.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2458    2.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5333    0.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5333   -0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9458   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  9  1  0  0  0  0
  4  3  2  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  1  1  0  0  0  0
  8  1  1  0  0  0  0
  9 13  2  0  0  0  0
 10 17  1  0  0  0  0
 11 10  1  0  0  0  0
 12  5  1  0  0  0  0
 13  8  1  0  0  0  0
 14  1  2  0  0  0  0
 15  1  2  0  0  0  0
 16  2  1  0  0  0  0
 17 12  1  0  0  0  0
 18 10  2  0  0  0  0
 19  7  1  0  0  0  0
 20  7  1  0  0  0  0
 21  8  2  0  0  0  0
 22 11  1  0  0  0  0
 23 11  1  0  0  0  0
 24 25  2  0  0  0  0
 25 21  1  0  0  0  0
 26 16  2  0  0  0  0
 27 16  1  0  0  0  0
 28 20  1  0  0  0  0
 29 22  1  0  0  0  0
 30 23  1  0  0  0  0
 31 19  1  0  0  0  0
 32 27  2  0  0  0  0
 33 26  1  0  0  0  0
 34 32  1  0  0  0  0
 31 28  1  0  0  0  0
 24  9  1  0  0  0  0
  6  5  2  0  0  0  0
 34 33  2  0  0  0  0
 30 29  1  0  0  0  0
M  END
>  <Mol_ID> (3,944)
3944

>  <Formula> (3,944)
C24H27N5O3S2

>  <MolWeight> (3,944)
497.63288

>  <COMPOUND_NAME> (3,944)
WAY-644849

>  <BAR_CODE_NO> (3,944)
90479431

$$$$
WAY-644875
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -0.0083   -0.8417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208   -1.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1333   -0.4292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8625   -0.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6458   -1.0917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125   -0.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8542    0.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8625   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042   -1.5542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208   -0.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1458   -1.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333   -0.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1417    0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6458    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5667    0.3958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4250   -0.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125    0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1458    0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4250    0.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1417   -0.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8542    1.6333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5667    2.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5667    2.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  5  1  0  0  0  0
  4 11  1  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7 13  1  0  0  0  0
  8 18  1  0  0  0  0
  9  1  2  0  0  0  0
 10  1  2  0  0  0  0
 11 12  2  0  0  0  0
 12  2  1  0  0  0  0
 13 19  1  0  0  0  0
 14  8  1  0  0  0  0
 15  7  2  0  0  0  0
 16  6  2  0  0  0  0
 17  6  1  0  0  0  0
 18 21  2  0  0  0  0
 19 17  2  0  0  0  0
 20 16  1  0  0  0  0
 21 12  1  0  0  0  0
 22  7  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 13 20  2  0  0  0  0
  8  4  2  0  0  0  0
  3 14  2  0  0  0  0
M  END
>  <Mol_ID> (3,945)
3945

>  <Formula> (3,945)
C16H15N3O4S

>  <MolWeight> (3,945)
345.373

>  <COMPOUND_NAME> (3,945)
WAY-644875

>  <BAR_CODE_NO> (3,945)
90479458

$$$$
WAY-644912
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
    1.0042    3.1083    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833   -2.3792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542    2.3333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333   -3.1667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2625    3.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417    0.7583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0125   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8208   -0.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7750    4.5542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7917    2.8583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167    3.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042   -2.6375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5625   -2.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583    2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042    1.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458   -4.7375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458   -3.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833   -3.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0750   -0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0417    4.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0500    0.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083    1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792   -1.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2625    5.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5375   -0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0417    4.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0958   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7333   -4.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7958   -5.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  6  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6 24  1  0  0  0  0
  7 22  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  5  1  0  0  0  0
 11  1  2  0  0  0  0
 12  1  2  0  0  0  0
 13  2  2  0  0  0  0
 14  2  2  0  0  0  0
 15  3  1  0  0  0  0
 16  3  1  0  0  0  0
 17 29  1  0  0  0  0
 18  4  1  0  0  0  0
 19  4  1  0  0  0  0
 20  9  1  0  0  0  0
 21  5  2  0  0  0  0
 22 16  1  0  0  0  0
 23 15  1  0  0  0  0
 24 26  2  0  0  0  0
 25 10  1  0  0  0  0
 26  8  1  0  0  0  0
 27 21  1  0  0  0  0
 28 18  1  0  0  0  0
 29 19  1  0  0  0  0
 30 17  1  0  0  0  0
 25 27  2  0  0  0  0
  7 23  1  0  0  0  0
  6 20  2  0  0  0  0
 17 28  1  0  0  0  0
M  END
>  <Mol_ID> (3,946)
3946

>  <Formula> (3,946)
C18H25N5O4S3

>  <MolWeight> (3,946)
471.6172

>  <COMPOUND_NAME> (3,946)
WAY-644912

>  <BAR_CODE_NO> (3,946)
90479495

$$$$
WAY-644922
csChFnd80/06171916322D

 27 31  0  0  0  0  0  0  0  0999 V2000
    2.0042    0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3417    1.0958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6750    1.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917   -0.6292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5917    1.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4167    1.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333   -1.4542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9958   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9958   -0.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7833   -1.7042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7833   -0.3667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7167   -0.6292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2708   -1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2833   -1.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5625   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8500   -1.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2833   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333   -0.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792   -1.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5625   -0.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1792    2.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8292    2.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5917    3.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4167    3.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8 21  1  0  0  0  0
  9 15  1  0  0  0  0
 10 20  1  0  0  0  0
 11  9  1  0  0  0  0
 12 10  1  0  0  0  0
 13  2  2  0  0  0  0
 14 11  1  0  0  0  0
 15 18  2  0  0  0  0
 16  5  1  0  0  0  0
 17  5  1  0  0  0  0
 18 19  1  0  0  0  0
 19  8  1  0  0  0  0
 20 23  2  0  0  0  0
 21 17  1  0  0  0  0
 22 16  1  0  0  0  0
 23 18  1  0  0  0  0
 24  6  1  0  0  0  0
 25  7  1  0  0  0  0
 26 24  2  0  0  0  0
 27 25  2  0  0  0  0
  6  7  2  0  0  0  0
 26 27  1  0  0  0  0
  8 22  1  0  0  0  0
 10  9  2  0  0  0  0
 14 12  1  0  0  0  0
M  END
>  <Mol_ID> (3,947)
3947

>  <Formula> (3,947)
C21H20N2O4

>  <MolWeight> (3,947)
364.3945

>  <COMPOUND_NAME> (3,947)
WAY-644922

>  <BAR_CODE_NO> (3,947)
90479505

$$$$
WAY-644926
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
    3.1625   -0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4292   -1.2625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7875    0.5833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4292   -0.4375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1375    0.5833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6417   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6125    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6417   -1.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0250   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6875    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3750    1.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3750   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5500    1.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5500   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1000    1.2958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8500   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9250   -0.1292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3375   -0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1000   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0250    1.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6125   -0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3917    0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3917   -2.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8500    1.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2708    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2708   -0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  8  2  0  0  0  0
  3 12  1  0  0  0  0
  4  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  1  2  0  0  0  0
  7  3  1  0  0  0  0
  8  1  1  0  0  0  0
  9  7  2  0  0  0  0
 10 19  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13  5  1  0  0  0  0
 14  5  1  0  0  0  0
 15 10  2  0  0  0  0
 16  9  1  0  0  0  0
 17 18  1  0  0  0  0
 18  1  1  0  0  0  0
 19 17  1  0  0  0  0
 20  7  1  0  0  0  0
 21  9  1  0  0  0  0
 22  6  1  0  0  0  0
 23  8  1  0  0  0  0
 24 20  2  0  0  0  0
 25 24  1  0  0  0  0
 26 16  1  0  0  0  0
  4  2  1  0  0  0  0
  3 11  1  0  0  0  0
 25 16  2  0  0  0  0
M  END
>  <Mol_ID> (3,948)
3948

>  <Formula> (3,948)
C20H27N3O2S

>  <MolWeight> (3,948)
373.51228

>  <COMPOUND_NAME> (3,948)
WAY-644926

>  <BAR_CODE_NO> (3,948)
90479509

$$$$
WAY-644938
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -0.5103   -0.6452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1552   -0.8521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5069   -0.2314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8759   -0.8521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2103   -0.6452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1552   -1.2728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1483   -0.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8724   -1.2728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2103   -0.2314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5138   -1.4832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1483    0.3962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2103    0.5996    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5103    0.6065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2069    1.0203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5690    0.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5655    1.2272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9310    0.6030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9276    1.0203    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5655    1.6444    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (3,949)
3949

>  <Formula> (3,949)
C15H14N2O2

>  <MolWeight> (3,949)
254.28386

>  <COMPOUND_NAME> (3,949)
WAY-644938

>  <BAR_CODE_NO> (3,949)
90479521

$$$$
WAY-644980
csChFnd80/06171916322D

 32 36  0  0  0  0  0  0  0  0999 V2000
   -1.5875   -2.2917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9042    2.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3917    3.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917   -0.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9042    3.8208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3125   -0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -2.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3708   -2.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542   -0.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167    2.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792   -1.1167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167    3.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333   -1.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667   -1.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1542    1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458   -1.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3333   -3.0792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8625    0.3083    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1875   -2.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042    1.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917   -2.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9667    1.5333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2167    3.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9833   -1.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5458   -3.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042    2.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042    3.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3250   -3.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7708   -2.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083    2.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083    3.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9458   -3.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 15  1  0  0  0  0
  3  2  2  0  0  0  0
  4  9  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  2  0  0  0  0
  7  1  1  0  0  0  0
  8  1  1  0  0  0  0
  9 13  1  0  0  0  0
 10  2  1  0  0  0  0
 11 14  1  0  0  0  0
 12 10  2  0  0  0  0
 13  7  2  0  0  0  0
 14 21  1  0  0  0  0
 15 20  1  0  0  0  0
 16  1  2  0  0  0  0
 17  1  2  0  0  0  0
 18  6  1  0  0  0  0
 19  7  1  0  0  0  0
 20 18  1  0  0  0  0
 21 19  2  0  0  0  0
 22 15  2  0  0  0  0
 23  3  1  0  0  0  0
 24  8  1  0  0  0  0
 25  8  1  0  0  0  0
 26 10  1  0  0  0  0
 27 12  1  0  0  0  0
 28 25  1  0  0  0  0
 29 24  1  0  0  0  0
 30 26  2  0  0  0  0
 31 30  1  0  0  0  0
 32 28  1  0  0  0  0
 32 29  1  0  0  0  0
 14  9  2  0  0  0  0
 11  6  1  0  0  0  0
 12  5  1  0  0  0  0
 31 27  2  0  0  0  0
M  END
>  <Mol_ID> (3,950)
3950

>  <Formula> (3,950)
C23H23N3O4S2

>  <MolWeight> (3,950)
469.57642

>  <COMPOUND_NAME> (3,950)
WAY-644980

>  <BAR_CODE_NO> (3,950)
90479565

$$$$
WAY-645010
csChFnd80/06171916322D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.0417   -1.0542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3875   -1.0542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708    0.1833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417   -2.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708   -2.2917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542   -3.1167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3875   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417    1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417    2.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542    2.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4667    1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4667    2.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  5  3  0  0  0  0
  9  4  1  0  0  0  0
 10  4  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 11  2  0  0  0  0
 14 13  1  0  0  0  0
 15 12  2  0  0  0  0
 16 14  2  0  0  0  0
  3  9  1  0  0  0  0
 16 15  1  0  0  0  0
M  END
>  <Mol_ID> (3,951)
3951

>  <Formula> (3,951)
C11H13N5

>  <MolWeight> (3,951)
215.25442

>  <COMPOUND_NAME> (3,951)
WAY-645010

>  <BAR_CODE_NO> (3,951)
90479595

$$$$
WAY-645016
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
   -3.2500   -0.0292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.7042    0.5250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208   -0.1917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2250   -0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1625   -0.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208   -1.5250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7042   -0.8125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083   -0.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4917   -0.5542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4917    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5375   -0.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8208   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000   -0.1417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9625    0.3833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8375    0.6833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6625   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8208   -1.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9875   -0.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4542    1.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5375   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708   -2.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1625    0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6833   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9625    1.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    1.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0042    1.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6208   -2.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7542    2.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3917    2.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9417    2.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  8  1  0  0  0  0
  4 14  1  0  0  0  0
  5  3  2  0  0  0  0
  6 10  1  0  0  0  0
  7  4  2  0  0  0  0
  8 13  1  0  0  0  0
  9  7  1  0  0  0  0
 10 18  1  0  0  0  0
 11  2  1  0  0  0  0
 12  1  1  0  0  0  0
 13 12  2  0  0  0  0
 14 19  1  0  0  0  0
 15  1  1  0  0  0  0
 16  1  2  0  0  0  0
 17  1  2  0  0  0  0
 18 21  2  0  0  0  0
 19  5  1  0  0  0  0
 20  2  1  0  0  0  0
 21 12  1  0  0  0  0
 22  6  1  0  0  0  0
 23 11  1  0  0  0  0
 24 15  1  0  0  0  0
 25 15  1  0  0  0  0
 26 20  2  0  0  0  0
 27 20  1  0  0  0  0
 28 22  1  0  0  0  0
 29 27  2  0  0  0  0
 30 26  1  0  0  0  0
 31 29  1  0  0  0  0
 10  8  2  0  0  0  0
  5  6  1  0  0  0  0
 11  9  2  0  0  0  0
 31 30  2  0  0  0  0
M  END
>  <Mol_ID> (3,952)
3952

>  <Formula> (3,952)
C21H24N6O2S2

>  <MolWeight> (3,952)
456.58426

>  <COMPOUND_NAME> (3,952)
WAY-645016

>  <BAR_CODE_NO> (3,952)
90479601

$$$$
WAY-645091
csChFnd80/06171916322D

 31 35  0  0  0  0  0  0  0  0999 V2000
    0.1917    2.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5875    2.8333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792    3.2458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917    3.9208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958   -3.0125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4375   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5875    3.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7375   -3.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667   -3.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958   -1.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667   -2.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6250   -3.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542    1.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958   -0.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1000    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3250   -4.7542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542    0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6667   -1.1750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2333    2.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2333    4.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542    1.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167   -1.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4292   -3.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5125    0.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9625    0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0375    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0375    3.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9792   -2.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292   -2.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3958    3.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  6  2  0  0  0  0
  6 10  1  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9 12  1  0  0  0  0
 10 14  1  0  0  0  0
 11  6  1  0  0  0  0
 12 11  2  0  0  0  0
 13  1  1  0  0  0  0
 14 15  1  0  0  0  0
 15 18  1  0  0  0  0
 16 13  1  0  0  0  0
 17  9  2  0  0  0  0
 18 16  2  0  0  0  0
 19 14  2  0  0  0  0
 20  2  1  0  0  0  0
 21  7  1  0  0  0  0
 22 13  2  0  0  0  0
 23 11  1  0  0  0  0
 24 12  1  0  0  0  0
 25 22  1  0  0  0  0
 26 25  2  0  0  0  0
 27 20  1  0  0  0  0
 28 21  1  0  0  0  0
 29 30  1  0  0  0  0
 30 23  2  0  0  0  0
 31 27  1  0  0  0  0
  7  4  2  0  0  0  0
 26 18  1  0  0  0  0
 31 28  1  0  0  0  0
  9  8  1  0  0  0  0
 29 24  2  0  0  0  0
M  END
>  <Mol_ID> (3,953)
3953

>  <Formula> (3,953)
C23H22N6O2

>  <MolWeight> (3,953)
414.45978

>  <COMPOUND_NAME> (3,953)
WAY-645091

>  <BAR_CODE_NO> (3,953)
90479676

$$$$
WAY-645106
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -1.9583   -0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9583    0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375   -0.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5250    0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917    0.8750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042    0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5250   -0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375    0.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6167    0.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042   -0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6708   -0.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375   -1.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6708    0.8750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917   -0.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3292    0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6167    1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6167   -0.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3833   -0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6708    1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5250   -2.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6167   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0500    0.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3292    2.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0500    1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042   -2.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  7  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  3  1  0  0  0  0
  8  2  2  0  0  0  0
  9  6  1  0  0  0  0
 10  6  1  0  0  0  0
 11  1  1  0  0  0  0
 12  3  1  0  0  0  0
 13  2  1  0  0  0  0
 14 10  1  0  0  0  0
 15  9  1  0  0  0  0
 16  9  2  0  0  0  0
 17 10  2  0  0  0  0
 18 11  1  0  0  0  0
 19 13  1  0  0  0  0
 20 12  1  0  0  0  0
 21 17  1  0  0  0  0
 22 14  2  0  0  0  0
 23 15  2  0  0  0  0
 24 16  1  0  0  0  0
 25 24  2  0  0  0  0
 26 21  2  0  0  0  0
  8  4  1  0  0  0  0
 26 22  1  0  0  0  0
 25 23  1  0  0  0  0
M  END
>  <Mol_ID> (3,954)
3954

>  <Formula> (3,954)
C22H23NO3

>  <MolWeight> (3,954)
349.42292

>  <COMPOUND_NAME> (3,954)
WAY-645106

>  <BAR_CODE_NO> (3,954)
90479691

$$$$
WAY-645170
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
    0.9292    2.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4500    1.9083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4500    3.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458   -2.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542    2.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2625   -2.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3375    2.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3375    2.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000   -2.9542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708   -3.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042    1.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042   -1.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9875   -3.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1500    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458   -0.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042   -0.2792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583    0.6833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167   -1.8417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5792    2.5708    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542    3.3958    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542    1.7458    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0500    1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417   -3.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0500    3.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9875   -4.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7708    2.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417   -4.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7708    2.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708   -4.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4 12  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  2  0  0  0  0
  7  2  1  0  0  0  0
  8  3  1  0  0  0  0
  9  6  1  0  0  0  0
 10  4  1  0  0  0  0
 11  2  1  0  0  0  0
 12 15  1  0  0  0  0
 13 10  2  0  0  0  0
 14 11  1  0  0  0  0
 15 16  1  0  0  0  0
 16 14  1  0  0  0  0
 17 14  2  0  0  0  0
 18 12  2  0  0  0  0
 19  5  1  0  0  0  0
 20  5  1  0  0  0  0
 21  5  1  0  0  0  0
 22  7  1  0  0  0  0
 23 10  1  0  0  0  0
 24  8  1  0  0  0  0
 25 13  1  0  0  0  0
 26 22  2  0  0  0  0
 27 23  2  0  0  0  0
 28 24  2  0  0  0  0
 29 27  1  0  0  0  0
  7  8  2  0  0  0  0
 26 28  1  0  0  0  0
 13  9  1  0  0  0  0
 29 25  2  0  0  0  0
M  END
>  <Mol_ID> (3,955)
3955

>  <Formula> (3,955)
C20H14F3N3O3

>  <MolWeight> (3,955)
401.3386696

>  <COMPOUND_NAME> (3,955)
WAY-645170

>  <BAR_CODE_NO> (3,955)
90479757

$$$$
WAY-645466
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.4875   -0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2083   -0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4542    0.5333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4875    0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2250   -0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208   -0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3667   -0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2083    0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2625    0.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208    0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750   -0.0125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.1250   -0.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9417   -0.2875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2250   -1.5250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542   -0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2083   -1.5250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2083    1.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6333   -0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6333    0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6000    1.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3458   -0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3458    0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  7  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7 15  1  0  0  0  0
  8  4  2  0  0  0  0
  9  3  2  0  0  0  0
 10  8  1  0  0  0  0
 11 12  1  0  0  0  0
 12  7  2  0  0  0  0
 13  5  1  0  0  0  0
 14  5  2  0  0  0  0
 15 13  1  0  0  0  0
 16  2  1  0  0  0  0
 17  8  1  0  0  0  0
 18  6  1  0  0  0  0
 19 10  1  0  0  0  0
 20  9  1  0  0  0  0
 21 18  2  0  0  0  0
 22 19  2  0  0  0  0
 10  6  2  0  0  0  0
 21 22  1  0  0  0  0
 11  9  1  0  0  0  0
M  END
>  <Mol_ID> (3,956)
3956

>  <Formula> (3,956)
C16H13NO4S

>  <MolWeight> (3,956)
315.34372

>  <COMPOUND_NAME> (3,956)
WAY-645466

>  <BAR_CODE_NO> (3,956)
90480057

$$$$
WAY-645489
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
   -2.0208   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7333   -1.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3083   -1.0875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0208    0.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7333   -0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5917   -0.1792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8375    0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9250    0.9708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292    1.1458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3083   -0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1417    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8750    0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1625   -0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4458    0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4458   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1250   -0.2625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0208   -2.3250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1625   -1.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5875    0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4708    0.8708    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5958    0.5625    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2875   -0.5625    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.9667    0.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4500    1.0083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2667    0.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6042    0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4292    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5750    1.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7542    1.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9125    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7625   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4 10  2  0  0  0  0
  5  2  2  0  0  0  0
  6  7  1  0  0  0  0
  7 16  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  3  1  0  0  0  0
 11  6  1  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  0  0  0  0
 14  5  1  0  0  0  0
 15  2  1  0  0  0  0
 16 19  1  0  0  0  0
 17  1  2  0  0  0  0
 18 15  2  0  0  0  0
 19 10  1  0  0  0  0
 20 12  1  0  0  0  0
 21 12  1  0  0  0  0
 22 12  1  0  0  0  0
 23 11  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 28 29  1  0  0  0  0
 29 25  2  0  0  0  0
 30 28  2  0  0  0  0
 31 27  1  0  0  0  0
  5  4  1  0  0  0  0
 13 14  2  0  0  0  0
  9 11  2  0  0  0  0
 30 27  1  0  0  0  0
M  END
>  <Mol_ID> (3,957)
3957

>  <Formula> (3,957)
C20H15F3N4O3S

>  <MolWeight> (3,957)
448.4183096

>  <COMPOUND_NAME> (3,957)
WAY-645489

>  <BAR_CODE_NO> (3,957)
90480080

$$$$
WAY-645512
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.3958    0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958    2.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083    1.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958   -0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167    1.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083    1.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167   -0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167    1.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167   -1.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0375   -1.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0375    2.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083   -0.4875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0375   -2.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167   -2.9625    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8208    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8208    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7500   -1.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7500   -2.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5333    1.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5333    1.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4667   -1.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4667   -2.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  8  1  0  0  0  0
  6  3  2  0  0  0  0
  7  4  1  0  0  0  0
  8  1  1  0  0  0  0
  9  7  2  0  0  0  0
 10  9  1  0  0  0  0
 11  5  2  0  0  0  0
 12  4  2  0  0  0  0
 13 10  2  0  0  0  0
 14 13  1  0  0  0  0
 15  3  1  0  0  0  0
 16  6  1  0  0  0  0
 17 10  1  0  0  0  0
 18 13  1  0  0  0  0
 19 15  2  0  0  0  0
 20 19  1  0  0  0  0
 21 17  2  0  0  0  0
 22 21  1  0  0  0  0
  2  6  1  0  0  0  0
 20 16  2  0  0  0  0
 22 18  2  0  0  0  0
M  END
>  <Mol_ID> (3,958)
3958

>  <Formula> (3,958)
C17H13FN2O2

>  <MolWeight> (3,958)
296.2957232

>  <COMPOUND_NAME> (3,958)
WAY-645512

>  <BAR_CODE_NO> (3,958)
90480104

$$$$
WAY-645536
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    2.7375   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4875   -0.5917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0417    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2500    0.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8167    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6292    0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7708   -0.5042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7708    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9833   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9833    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2708   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8375   -0.6667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042   -0.2542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5500   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0833    0.1583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167   -1.4917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208    0.5708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8625   -0.0625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.2708    0.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9625    1.4958    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.5917   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5500    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  7  1  0  0  0  0
  5  1  2  0  0  0  0
  6  5  1  0  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10  1  1  0  0  0  0
 11 21  1  0  0  0  0
 12 16  2  0  0  0  0
 13 23  1  0  0  0  0
 14 13  1  0  0  0  0
 15 10  1  0  0  0  0
 16 14  1  0  0  0  0
 17  4  2  0  0  0  0
 18 10  2  0  0  0  0
 19 13  2  0  0  0  0
 20  3  1  0  0  0  0
 21 24  2  0  0  0  0
 22  6  1  0  0  0  0
 23 15  1  0  0  0  0
 24 16  1  0  0  0  0
  3  6  2  0  0  0  0
 11  9  2  0  0  0  0
  4  8  1  0  0  0  0
M  END
>  <Mol_ID> (3,959)
3959

>  <Formula> (3,959)
C14H9Br2N3O4S

>  <MolWeight> (3,959)
475.11196

>  <COMPOUND_NAME> (3,959)
WAY-645536

>  <BAR_CODE_NO> (3,959)
90480129

$$$$
WAY-645659
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -1.0708   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5583    0.4958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5583   -0.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3375    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3375   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667   -0.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917   -0.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7042   -0.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6417    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4042   -1.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4042    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4042   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2292    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2292   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4667    0.5458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0583    0.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0583   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8792    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7708   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7708    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  2  0  0  0  0
  7  4  1  0  0  0  0
  8  3  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11  6  1  0  0  0  0
 12 17  2  0  0  0  0
 13  9  1  0  0  0  0
 14 11  1  0  0  0  0
 15 11  2  0  0  0  0
 16 14  2  0  0  0  0
 17 15  1  0  0  0  0
 18 12  1  0  0  0  0
 19  5  1  0  0  0  0
 20  7  1  0  0  0  0
 21 18  1  0  0  0  0
 22 20  2  0  0  0  0
 23 19  2  0  0  0  0
  7  5  2  0  0  0  0
 22 23  1  0  0  0  0
 16 12  1  0  0  0  0
M  END
>  <Mol_ID> (3,960)
3960

>  <Formula> (3,960)
C18H15NO4

>  <MolWeight> (3,960)
309.316

>  <COMPOUND_NAME> (3,960)
WAY-645659

>  <BAR_CODE_NO> (3,960)
90480252

$$$$
WAY-645790
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.0708   -0.0917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167   -0.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2292   -0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7875    0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167   -1.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0542   -0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2125    0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5417   -0.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3625   -0.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2125    1.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    0.0583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    1.3958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7875    1.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4833    0.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6917   -0.1167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5958   -1.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8417   -1.5417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542    1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  1  1  0  0  0  0
  6  2  2  0  0  0  0
  7  5  2  0  0  0  0
  8  4  1  0  0  0  0
  9  7  1  0  0  0  0
 10  8  2  0  0  0  0
 11 10  1  0  0  0  0
 12 18  1  0  0  0  0
 13  9  1  0  0  0  0
 14 12  1  0  0  0  0
 15  5  1  0  0  0  0
 16 13  1  0  0  0  0
 17 11  2  0  0  0  0
 18 15  2  0  0  0  0
 19  2  1  0  0  0  0
 20 11  1  0  0  0  0
 21  3  1  0  0  0  0
  4  6  1  0  0  0  0
 12  9  2  0  0  0  0
 16 14  1  0  0  0  0
M  END
>  <Mol_ID> (3,961)
3961

>  <Formula> (3,961)
C16H15NO4

>  <MolWeight> (3,961)
285.2946

>  <COMPOUND_NAME> (3,961)
WAY-645790

>  <BAR_CODE_NO> (3,961)
90480385

$$$$
WAY-645811
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    0.9625    0.8958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7417    0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4750    0.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9625   -0.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7417   -0.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042   -1.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4125    1.1250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042    1.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3500    0.2250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208   -1.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5208   -1.9125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583    2.6333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1000   -1.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1625   -2.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4583   -0.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4125   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583   -0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583   -2.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1000    1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917    3.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7833   -2.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0750   -1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542    2.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042    3.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  2  0  0  0  0
  7  2  2  0  0  0  0
  8  1  1  0  0  0  0
  9  3  2  0  0  0  0
 10 14  1  0  0  0  0
 11 10  1  0  0  0  0
 12 19  1  0  0  0  0
 13  6  1  0  0  0  0
 14 18  2  0  0  0  0
 15 17  1  0  0  0  0
 16  5  1  0  0  0  0
 17 13  2  0  0  0  0
 18 13  1  0  0  0  0
 19  8  2  0  0  0  0
 20 24  1  0  0  0  0
 21 11  1  0  0  0  0
 22 11  1  0  0  0  0
 23  8  1  0  0  0  0
 24 23  2  0  0  0  0
  5  4  1  0  0  0  0
 20 12  2  0  0  0  0
 10 15  2  0  0  0  0
M  END
>  <Mol_ID> (3,962)
3962

>  <Formula> (3,962)
C18H18N4OS

>  <MolWeight> (3,962)
338.42672

>  <COMPOUND_NAME> (3,962)
WAY-645811

>  <BAR_CODE_NO> (3,962)
90480406

$$$$
WAY-645852
csChFnd80/06171916322D

 24 27  0  0  0  0  0  0  0  0999 V2000
    1.7792   -1.8667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542   -1.8667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583    1.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542    0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542    2.2583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667    1.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792   -2.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542   -2.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0750    0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667   -3.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0750    2.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7875    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7875    1.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667   -0.6292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792    2.2583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583   -3.1042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4917   -3.1042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5750    0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5750    2.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0583    1.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  2  0  0  0  0
  4  6  2  0  0  0  0
  5 18  1  0  0  0  0
  6  5  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  2  0  0  0  0
 10  1  1  0  0  0  0
 11 13  1  0  0  0  0
 12  6  1  0  0  0  0
 13 10  2  0  0  0  0
 14  4  1  0  0  0  0
 15 12  2  0  0  0  0
 16 15  1  0  0  0  0
 17  3  1  0  0  0  0
 18 17  1  0  0  0  0
 19  8  2  0  0  0  0
 20 11  1  0  0  0  0
 21 10  1  0  0  0  0
 22 15  1  0  0  0  0
 23 16  1  0  0  0  0
 24 22  1  0  0  0  0
 11  2  2  0  0  0  0
  7  4  1  0  0  0  0
 16 14  2  0  0  0  0
 24 23  1  0  0  0  0
M  END
>  <Mol_ID> (3,963)
3963

>  <Formula> (3,963)
C17H16N4O2S

>  <MolWeight> (3,963)
340.39954

>  <COMPOUND_NAME> (3,963)
WAY-645852

>  <BAR_CODE_NO> (3,963)
90480448

$$$$
WAY-645899
csChFnd80/06171916322D

 34 38  0  0  0  0  0  0  0  0999 V2000
    2.7625   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7625   -1.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8083    0.9083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0958    1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5208    1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0500   -1.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0500    0.0833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0958    2.1458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5500   -0.0750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292   -1.1542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5208    2.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5500   -1.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0292   -0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8083    2.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6167    0.9083    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2375    0.9083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0500   -2.3917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2375   -1.5667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8083    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6167    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6708   -2.3917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5208   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2375    2.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8042   -2.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5208   -1.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8542   -0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8083    3.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9500   -1.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2375   -2.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9500   -2.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6708   -1.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2375    3.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5208    3.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  4  1  0  0  0  0
  4 16  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  4  2  0  0  0  0
  9  1  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12  2  1  0  0  0  0
 13  9  1  0  0  0  0
 14  7  2  0  0  0  0
 15  8  1  0  0  0  0
 16 21  1  0  0  0  0
 17  5  2  0  0  0  0
 18  6  2  0  0  0  0
 19 26  1  0  0  0  0
 20  3  1  0  0  0  0
 21 14  1  0  0  0  0
 22 31  1  0  0  0  0
 23 20  1  0  0  0  0
 24 11  1  0  0  0  0
 25 12  1  0  0  0  0
 26 23  1  0  0  0  0
 27 13  1  0  0  0  0
 28 15  1  0  0  0  0
 29 19  1  0  0  0  0
 30 19  1  0  0  0  0
 31 30  1  0  0  0  0
 32 29  1  0  0  0  0
 33 34  1  0  0  0  0
 34 28  2  0  0  0  0
 12 13  2  0  0  0  0
 10  6  1  0  0  0  0
 11  5  1  0  0  0  0
 24 33  2  0  0  0  0
 22 32  1  0  0  0  0
M  END
>  <Mol_ID> (3,964)
3964

>  <Formula> (3,964)
C24H27N5O3S2

>  <MolWeight> (3,964)
497.63288

>  <COMPOUND_NAME> (3,964)
WAY-645899

>  <BAR_CODE_NO> (3,964)
90480496

$$$$
WAY-645918
csChFnd80/06171916322D

 31 35  0  0  0  0  0  0  0  0999 V2000
    1.4750    0.5833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542    0.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917   -0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0708   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5583   -1.4667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5583   -0.1292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4750   -0.7542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3458   -1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3458   -0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9292    0.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667   -0.0875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0583   -1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9292    1.6333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125    0.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0583    0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7708   -1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000   -2.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7708   -0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4833   -1.6250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958   -3.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7750    1.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167    1.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8583   -2.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542    2.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5167    2.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125    2.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5 15  1  0  0  0  0
  6  5  1  0  0  0  0
  7  5  2  0  0  0  0
  8  4  2  0  0  0  0
  9  6  1  0  0  0  0
 10  7  1  0  0  0  0
 11  2  1  0  0  0  0
 12  4  1  0  0  0  0
 13  9  1  0  0  0  0
 14  1  1  0  0  0  0
 15 12  1  0  0  0  0
 16 11  1  0  0  0  0
 17 11  2  0  0  0  0
 18 16  1  0  0  0  0
 19 10  1  0  0  0  0
 20 17  1  0  0  0  0
 21 13  2  0  0  0  0
 22  6  1  0  0  0  0
 23 19  2  0  0  0  0
 24 21  1  0  0  0  0
 25 28  1  0  0  0  0
 26 14  1  0  0  0  0
 27 14  2  0  0  0  0
 28 22  1  0  0  0  0
 29 27  1  0  0  0  0
 30 26  2  0  0  0  0
 31 29  2  0  0  0  0
  3  8  1  0  0  0  0
 31 30  1  0  0  0  0
 18 20  2  0  0  0  0
  9 10  2  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (3,965)
3965

>  <Formula> (3,965)
C22H18ClN5O2S

>  <MolWeight> (3,965)
451.92862

>  <COMPOUND_NAME> (3,965)
WAY-645918

>  <BAR_CODE_NO> (3,965)
90480515

$$$$
WAY-645956
csChFnd80/06171916322D

 33 37  0  0  0  0  0  0  0  0999 V2000
    1.4667   -0.5625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542   -0.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417   -0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4667    0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417    0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542    0.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1792   -0.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6750   -0.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2458   -0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542   -1.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1792    0.6750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2458    0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0333   -0.8167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0333    0.5208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5208   -0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5333   -0.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3875   -0.5625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5333    0.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9000   -0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8208   -0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3292    0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8208    0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6750    0.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9000    0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6125   -0.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6125    0.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3292   -0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0417    0.6750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1083   -0.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0417    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6750    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417    1.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  6  2  0  0  0  0
  6  4  1  0  0  0  0
  7  1  1  0  0  0  0
  8  3  2  0  0  0  0
  9 16  1  0  0  0  0
 10  2  2  0  0  0  0
 11  4  2  0  0  0  0
 12 18  1  0  0  0  0
 13  9  1  0  0  0  0
 14 12  1  0  0  0  0
 15 13  1  0  0  0  0
 16 20  2  0  0  0  0
 17  8  1  0  0  0  0
 18 22  2  0  0  0  0
 19  7  1  0  0  0  0
 20 30  1  0  0  0  0
 21 28  2  0  0  0  0
 22 20  1  0  0  0  0
 23  5  1  0  0  0  0
 24  6  1  0  0  0  0
 25 19  1  0  0  0  0
 26 19  2  0  0  0  0
 27 25  2  0  0  0  0
 28 26  1  0  0  0  0
 29 21  1  0  0  0  0
 30 17  1  0  0  0  0
 31 29  1  0  0  0  0
 32 33  1  0  0  0  0
 33 24  2  0  0  0  0
  5  3  1  0  0  0  0
 27 21  1  0  0  0  0
 32 23  2  0  0  0  0
 12  9  2  0  0  0  0
 15 14  1  0  0  0  0
M  END
>  <Mol_ID> (3,966)
3966

>  <Formula> (3,966)
C26H22N2O5

>  <MolWeight> (3,966)
442.46328

>  <COMPOUND_NAME> (3,966)
WAY-645956

>  <BAR_CODE_NO> (3,966)
90480553

$$$$
WAY-646174
csChFnd80/06171916322D

 34 38  0  0  0  0  0  0  0  0999 V2000
   -1.2083   -0.7167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2083    0.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542   -0.7167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208   -1.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208    0.5208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6333   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958   -1.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3667   -0.3042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6333    0.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9375   -1.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2250   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958    0.5208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2417   -0.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667   -1.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208   -1.9542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958    1.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3500   -1.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9375    1.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542    1.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2250    1.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958   -1.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3667    1.3458    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4542    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1167   -0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9375   -1.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3500    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2250   -2.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9375    2.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542    2.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2250    2.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0625   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750   -0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2625    0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0625    0.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3 10  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  2  0  0  0  0
  6  4  1  0  0  0  0
  7  1  1  0  0  0  0
  8  3  1  0  0  0  0
  9  6  2  0  0  0  0
 10 11  1  0  0  0  0
 11  7  2  0  0  0  0
 12  2  1  0  0  0  0
 13  3  2  0  0  0  0
 14  3  2  0  0  0  0
 15  4  2  0  0  0  0
 16 12  1  0  0  0  0
 17  6  1  0  0  0  0
 18 20  1  0  0  0  0
 19 18  2  0  0  0  0
 20 16  1  0  0  0  0
 21  7  1  0  0  0  0
 22 19  1  0  0  0  0
 23  8  1  0  0  0  0
 24  8  1  0  0  0  0
 25 27  1  0  0  0  0
 26  9  1  0  0  0  0
 27 21  2  0  0  0  0
 28 30  1  0  0  0  0
 29 28  2  0  0  0  0
 30 20  2  0  0  0  0
 31 17  2  0  0  0  0
 32 24  1  0  0  0  0
 33 23  1  0  0  0  0
 34 31  1  0  0  0  0
  9  5  1  0  0  0  0
 25 10  2  0  0  0  0
 26 34  2  0  0  0  0
 33 32  1  0  0  0  0
 29 19  1  0  0  0  0
M  END
>  <Mol_ID> (3,967)
3967

>  <Formula> (3,967)
C25H22FN3O3S2

>  <MolWeight> (3,967)
495.5888832

>  <COMPOUND_NAME> (3,967)
WAY-646174

>  <BAR_CODE_NO> (3,967)
90480771

$$$$
WAY-646327
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -0.3833   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3833   -0.4417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292   -1.6792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1625   -0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0500   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1625   -1.5250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0500   -0.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500   -0.8542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292   -2.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4208    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7625   -1.6792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708    1.2083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208    1.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7625   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3833   -2.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292    0.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5708    2.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583    1.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3833   -3.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    3.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375    2.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7625    0.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0500    1.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958   -4.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292   -4.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7875    3.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2750    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292    3.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  2  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  6  1  0  0  0  0
 10  3  1  0  0  0  0
 11  4  1  0  0  0  0
 12  5  2  0  0  0  0
 13 11  1  0  0  0  0
 14 13  1  0  0  0  0
 15  8  1  0  0  0  0
 16 10  1  0  0  0  0
 17  7  1  0  0  0  0
 18 14  1  0  0  0  0
 19 13  1  0  0  0  0
 20 16  1  0  0  0  0
 21 18  2  0  0  0  0
 22 18  1  0  0  0  0
 23 15  2  0  0  0  0
 24 17  2  0  0  0  0
 25 20  1  0  0  0  0
 26 20  1  0  0  0  0
 27 22  2  0  0  0  0
 28 21  1  0  0  0  0
 29 27  1  0  0  0  0
  9  4  2  0  0  0  0
  8  7  2  0  0  0  0
 24 23  1  0  0  0  0
 29 28  2  0  0  0  0
M  END
>  <Mol_ID> (3,968)
3968

>  <Formula> (3,968)
C23H27N5O

>  <MolWeight> (3,968)
389.49338

>  <COMPOUND_NAME> (3,968)
WAY-646327

>  <BAR_CODE_NO> (3,968)
90480929

$$$$
WAY-646483
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    1.4875   -0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042   -2.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042   -0.5167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9167   -0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4875   -1.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9167   -1.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7750   -0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583    0.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7750   -2.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583   -0.5167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542   -0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6292   -0.5167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542    0.7208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542   -1.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708    1.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042   -2.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0833    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7958    1.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0833    2.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7958    3.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5125    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5125    2.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  1  2  0  0  0  0
  6  2  2  0  0  0  0
  7  1  1  0  0  0  0
  8 10  1  0  0  0  0
  9  5  1  0  0  0  0
 10 11  1  0  0  0  0
 11  7  2  0  0  0  0
 12  4  2  0  0  0  0
 13  8  2  0  0  0  0
 14 11  1  0  0  0  0
 15  8  1  0  0  0  0
 16 15  1  0  0  0  0
 17  2  1  0  0  0  0
 18 16  1  0  0  0  0
 19 18  2  0  0  0  0
 20 18  1  0  0  0  0
 21 20  2  0  0  0  0
 22 19  1  0  0  0  0
 23 21  1  0  0  0  0
 14  9  2  0  0  0  0
  4  6  1  0  0  0  0
 23 22  2  0  0  0  0
M  END
>  <Mol_ID> (3,969)
3969

>  <Formula> (3,969)
C19H17NO3

>  <MolWeight> (3,969)
307.34318

>  <COMPOUND_NAME> (3,969)
WAY-646483

>  <BAR_CODE_NO> (3,969)
90481088

$$$$
WAY-646495
csChFnd80/06171916322D

 19 20  0  0  0  0  0  0  0  0999 V2000
    0.4917   -0.0542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    0.7333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375   -0.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6333   -1.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -1.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4500    2.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5708   -1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333    2.7958    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958    0.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792   -0.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917    1.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4500    3.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    2.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8875   -2.7542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    3.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1833   -1.3542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708   -2.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292   -2.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5  7  2  0  0  0  0
  6 11  1  0  0  0  0
  7  3  1  0  0  0  0
  8  6  1  0  0  0  0
  9  1  2  0  0  0  0
 10  1  2  0  0  0  0
 11  2  1  0  0  0  0
 12  8  1  0  0  0  0
 13  6  2  0  0  0  0
 14  4  2  0  0  0  0
 15 13  1  0  0  0  0
 16  4  1  0  0  0  0
 17  3  2  0  0  0  0
 18 19  2  0  0  0  0
 19 17  1  0  0  0  0
 18  5  1  0  0  0  0
 12 15  2  0  0  0  0
M  END
>  <Mol_ID> (3,970)
3970

>  <Formula> (3,970)
C12H11NO4S2

>  <MolWeight> (3,970)
297.35004

>  <COMPOUND_NAME> (3,970)
WAY-646495

>  <BAR_CODE_NO> (3,970)
90481100

$$$$
WAY-646506
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
    0.1375   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9417   -0.9042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.4667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6500    0.4958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2000   -0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583    3.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1583    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375    3.7833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083    2.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208   -1.8625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4375   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292    3.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583    4.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583    1.7208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292    4.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8125    2.1583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1792   -3.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042    0.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7083    0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0625    3.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2417   -2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6250   -3.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7292   -3.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833   -4.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7917   -2.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5417   -3.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  7  2  0  0  0  0
  5  2  2  0  0  0  0
  6  9  1  0  0  0  0
  7  3  1  0  0  0  0
  8  6  1  0  0  0  0
  9 14  1  0  0  0  0
 10  1  1  0  0  0  0
 11 10  1  0  0  0  0
 12  6  2  0  0  0  0
 13  8  1  0  0  0  0
 14 19  1  0  0  0  0
 15 12  1  0  0  0  0
 16  9  2  0  0  0  0
 17 11  2  0  0  0  0
 18  5  1  0  0  0  0
 19  7  1  0  0  0  0
 20  8  1  0  0  0  0
 21 11  1  0  0  0  0
 22 17  1  0  0  0  0
 23 17  1  0  0  0  0
 24 22  1  0  0  0  0
 25 21  2  0  0  0  0
 26 25  1  0  0  0  0
  4  5  1  0  0  0  0
 26 23  2  0  0  0  0
 13 15  2  0  0  0  0
M  END
>  <Mol_ID> (3,971)
3971

>  <Formula> (3,971)
C18H20N6O2

>  <MolWeight> (3,971)
352.3904

>  <COMPOUND_NAME> (3,971)
WAY-646506

>  <BAR_CODE_NO> (3,971)
90481114

$$$$
WAY-646517
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -0.4458    2.3500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458    3.1750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458    1.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792    2.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708    2.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667   -2.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9875   -2.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458   -2.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458    4.8167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667    1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1583    1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1583    3.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667    3.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667   -1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458   -0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667    0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1583    0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9875   -3.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458   -0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1583    4.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667    4.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667   -3.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7000   -3.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7000   -4.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667   -4.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9875   -5.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  1  2  0  0  0  0
  6 14  1  0  0  0  0
  7  6  1  0  0  0  0
  8  6  2  0  0  0  0
  9 21  1  0  0  0  0
 10  3  1  0  0  0  0
 11  3  2  0  0  0  0
 12  2  1  0  0  0  0
 13  2  1  0  0  0  0
 14 19  1  0  0  0  0
 15 17  2  0  0  0  0
 16 10  2  0  0  0  0
 17 11  1  0  0  0  0
 18  7  1  0  0  0  0
 19 15  1  0  0  0  0
 20 12  1  0  0  0  0
 21 13  1  0  0  0  0
 22 18  1  0  0  0  0
 23 18  2  0  0  0  0
 24 23  1  0  0  0  0
 25 22  2  0  0  0  0
 26 24  2  0  0  0  0
 16 15  1  0  0  0  0
  9 20  1  0  0  0  0
 26 25  1  0  0  0  0
M  END
>  <Mol_ID> (3,972)
3972

>  <Formula> (3,972)
C19H21NO5S

>  <MolWeight> (3,972)
375.43874

>  <COMPOUND_NAME> (3,972)
WAY-646517

>  <BAR_CODE_NO> (3,972)
90481125

$$$$
WAY-646920
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.1958   -2.4375    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.1958   -1.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9125   -1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958    0.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9125   -0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958    0.8625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167    1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167   -1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9125   -2.8500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.2292    2.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167   -2.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167   -0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3458   -1.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2292    0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9417    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6250   -1.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958    2.5208    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.9417    1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6625    2.5208    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6250    0.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3458   -0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4 13  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  2  1  0  0  0  0
 10  1  1  0  0  0  0
 11  8  1  0  0  0  0
 12  1  2  0  0  0  0
 13  9  2  0  0  0  0
 14 17  2  0  0  0  0
 15  7  1  0  0  0  0
 16 19  1  0  0  0  0
 17  3  1  0  0  0  0
 18  8  1  0  0  0  0
 19 15  2  0  0  0  0
 20 16  1  0  0  0  0
 21  5  1  0  0  0  0
 22 14  1  0  0  0  0
  4  5  2  0  0  0  0
 22 21  2  0  0  0  0
 16 11  2  0  0  0  0
M  END
>  <Mol_ID> (3,973)
3973

>  <Formula> (3,973)
C15H8BrFN2O3

>  <MolWeight> (3,973)
363.1380232

>  <COMPOUND_NAME> (3,973)
WAY-646920

>  <BAR_CODE_NO> (3,973)
90481534

$$$$
WAY-646944
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -3.6833    0.5458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9625    0.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9625   -0.6917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6833   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1083   -0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5333   -0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5333    0.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8208   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0375   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9625    1.7833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7542   -0.6917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042   -0.2792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8208    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1083   -1.5167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4667   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0375    0.5458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4708    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3250   -0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1792   -0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4708   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8917   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9458    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1792    0.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4667    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8917    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6125   -0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7 10  1  0  0  0  0
  8  6  1  0  0  0  0
  9  3  1  0  0  0  0
 10  8  2  0  0  0  0
 11 20  1  0  0  0  0
 12  2  2  0  0  0  0
 13 11  1  0  0  0  0
 14  7  1  0  0  0  0
 15  9  2  0  0  0  0
 16  7  2  0  0  0  0
 17 13  1  0  0  0  0
 18 11  2  0  0  0  0
 19  1  1  0  0  0  0
 20 14  1  0  0  0  0
 21 17  1  0  0  0  0
 22  5  1  0  0  0  0
 23 21  2  0  0  0  0
 24 19  1  0  0  0  0
 25 26  1  0  0  0  0
 26 17  2  0  0  0  0
 27 25  2  0  0  0  0
 28 23  1  0  0  0  0
 22 24  1  0  0  0  0
  6  3  2  0  0  0  0
 15 10  1  0  0  0  0
 27 23  1  0  0  0  0
M  END
>  <Mol_ID> (3,974)
3974

>  <Formula> (3,974)
C21H19N3O4

>  <MolWeight> (3,974)
377.39326

>  <COMPOUND_NAME> (3,974)
WAY-646944

>  <BAR_CODE_NO> (3,974)
90481558

$$$$
WAY-646959
csChFnd80/06171916322D

 31 33  0  0  0  0  0  0  0  0999 V2000
   -0.9708    2.8333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708    2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542   -2.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1750   -3.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542   -2.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708   -0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1750   -4.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2583   -0.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8875   -2.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458    2.8333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7958    2.8333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708    3.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2583   -1.7125    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.6042   -3.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708    0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2583    1.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6833    1.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1750   -1.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6833   -0.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6833    0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2583    0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6042   -4.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8875   -4.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8875   -2.1250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.3167   -4.6000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708   -2.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6833    4.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2583    4.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2583    4.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6833    4.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708    5.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  5  1  0  0  0  0
  4  3  1  0  0  0  0
  5 13  1  0  0  0  0
  6 15  1  0  0  0  0
  7  4  1  0  0  0  0
  8  6  1  0  0  0  0
  9  4  2  0  0  0  0
 10  1  2  0  0  0  0
 11  1  2  0  0  0  0
 12  1  1  0  0  0  0
 13  8  1  0  0  0  0
 14  9  1  0  0  0  0
 15 20  1  0  0  0  0
 16  2  1  0  0  0  0
 17  2  1  0  0  0  0
 18  5  2  0  0  0  0
 19  6  2  0  0  0  0
 20 17  1  0  0  0  0
 21 16  1  0  0  0  0
 22 14  2  0  0  0  0
 23  7  2  0  0  0  0
 24  9  1  0  0  0  0
 25 22  1  0  0  0  0
 26 13  1  0  0  0  0
 27 12  2  0  0  0  0
 28 12  1  0  0  0  0
 29 28  2  0  0  0  0
 30 27  1  0  0  0  0
 31 29  1  0  0  0  0
 21 15  1  0  0  0  0
 31 30  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (3,975)
3975

>  <Formula> (3,975)
C20H21Cl2N3O5S

>  <MolWeight> (3,975)
486.36884

>  <COMPOUND_NAME> (3,975)
WAY-646959

>  <BAR_CODE_NO> (3,975)
90481573

$$$$
WAY-647064
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    1.7075    0.5175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7075    1.2658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0558    0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3558    0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3558    1.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0558    1.6417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4075    0.5175    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0558   -0.6066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0075    0.5175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0075    1.2658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0558    2.3934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2442    0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6558    0.1417    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.8960    0.5244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2442   -0.6135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5442    0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8960   -0.9859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5442   -0.6135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1925   -0.9859    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1925   -1.7376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8442   -0.6135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8442   -2.1135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4925   -0.9859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4925   -1.7376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  9 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
  9 10  1  0  0  0  0
 17 18  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (3,976)
3976

>  <Formula> (3,976)
C19H21ClN2O2

>  <MolWeight> (3,976)
344.83524

>  <COMPOUND_NAME> (3,976)
WAY-647064

>  <BAR_CODE_NO> (3,976)
90481678

$$$$
WAY-646869
csChFnd80/06171916322D

 22 25  0  0  0  0  0  0  0  0999 V2000
   -0.6958   -0.4292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083    0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9125    0.1125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500    0.3875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5375    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3583    0.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9667    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500    2.0375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167    0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5375    1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8333   -1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6792    0.3875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042    1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9667    1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167    2.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6583   -1.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3500   -2.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6875   -2.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9958   -2.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5083   -2.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  6  1  0  0  0  0
  6 11  1  0  0  0  0
  7  3  2  0  0  0  0
  8  5  1  0  0  0  0
  9  3  1  0  0  0  0
 10 12  1  0  0  0  0
 11  9  2  0  0  0  0
 12 17  1  0  0  0  0
 13  2  1  0  0  0  0
 14  8  2  0  0  0  0
 15  9  1  0  0  0  0
 16 10  1  0  0  0  0
 17 15  2  0  0  0  0
 18 13  1  0  0  0  0
 19 13  2  0  0  0  0
 20 19  1  0  0  0  0
 21 18  2  0  0  0  0
 22 20  2  0  0  0  0
  4  7  1  0  0  0  0
 12  6  2  0  0  0  0
 22 21  1  0  0  0  0
 16  8  1  0  0  0  0
M  END
>  <Mol_ID> (3,977)
3977

>  <Formula> (3,977)
C17H12N2O2S

>  <MolWeight> (3,977)
308.35438

>  <COMPOUND_NAME> (3,977)
WAY-646869

>  <BAR_CODE_NO> (3,977)
90481483

$$$$
WAY-647136
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
    1.1250    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833    2.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5750    0.6583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333    1.8833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667   -0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8333    3.2833    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.8292    1.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2750    2.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333    0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7875    1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9292    0.2208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8958    2.3333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542   -2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3125    3.9583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0625   -0.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167   -1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667   -2.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958   -1.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042   -3.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8333    4.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7000   -3.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542   -3.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458    3.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458    4.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042   -4.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9583   -4.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4083   -4.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  1  0  0  0  0
  4 10  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  7  1  0  0  0  0
  9  3  1  0  0  0  0
 10  9  1  0  0  0  0
 11  1  2  0  0  0  0
 12  2  2  0  0  0  0
 13 17  2  0  0  0  0
 14  6  1  0  0  0  0
 15  5  1  0  0  0  0
 16  5  2  0  0  0  0
 17 16  1  0  0  0  0
 18 15  2  0  0  0  0
 19 13  1  0  0  0  0
 20 14  1  0  0  0  0
 21 19  1  0  0  0  0
 22 19  2  0  0  0  0
 23  6  1  0  0  0  0
 24 23  1  0  0  0  0
 25 22  1  0  0  0  0
 26 21  2  0  0  0  0
 27 25  2  0  0  0  0
 13 18  1  0  0  0  0
  4  8  1  0  0  0  0
 27 26  1  0  0  0  0
 20 24  1  0  0  0  0
M  END
>  <Mol_ID> (3,978)
3978

>  <Formula> (3,978)
C22H24N2O3

>  <MolWeight> (3,978)
364.43756

>  <COMPOUND_NAME> (3,978)
WAY-647136

>  <BAR_CODE_NO> (3,978)
90481753

$$$$
CL-16625
csChFnd80/06171916322D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.8029   -2.6893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5053   -1.9314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8029   -4.2389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2851   -2.2233    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5053   -0.3818    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8528   -2.7062    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2851   -4.7161    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5053   -5.0137    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1834   -3.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8528    0.3818    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.8528   -4.2558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8528    1.9314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1834   -0.3706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1834    2.6893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5053    2.6893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1834    4.2389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5053    4.2389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8528    5.0137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
  7  9  1  0  0  0  0
  8 11  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (3,979)
3979

>  <Formula> (3,979)
C13H13N5

>  <MolWeight> (3,979)
239.27582

>  <COMPOUND_NAME> (3,979)
CL-16625

>  <BAR_CODE_NO> (3,979)
391379

$$$$
CL-408262
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -4.6578   -0.2326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6578   -1.7794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3203    0.5408    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0010    0.5408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3203   -2.5528    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0010   -2.5528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9829   -0.2326    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -7.3268   -0.2326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9829   -1.7794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3268   -1.7794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6513    0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6513   -2.5469    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6803   -0.2326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0062    0.5292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6803   -1.7736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3436   -0.2326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6694    0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.2326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6694    2.0643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3268    0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.8377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3268    2.0643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  9 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (3,980)
3980

>  <Formula> (3,980)
C17H17N3O2

>  <MolWeight> (3,980)
295.33578

>  <COMPOUND_NAME> (3,980)
CL-408262

>  <BAR_CODE_NO> (3,980)
311578

$$$$
CL-423873
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -0.2159    0.4274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0103   -0.0432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4593   -0.3238    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7296    1.8954    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2796    0.7556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2348   -1.6147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7847    0.4879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2969    1.9169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6439    0.1597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8867    2.2623    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4593   -3.2251    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3606    0.2634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3806    3.1215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0946    0.7556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8884    3.4885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4400    1.3514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9694    2.8150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4400    2.2451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4383    3.5101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  3  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
  7  8  2  0  0  0  0
 16 17  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (3,981)
3981

>  <Formula> (3,981)
C15H15N3S

>  <MolWeight> (3,981)
269.3647

>  <COMPOUND_NAME> (3,981)
CL-423873

>  <BAR_CODE_NO> (3,981)
90463814

$$$$
GI-505853
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.4991    0.3845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1440    1.2949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1440   -0.5017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6078    0.4328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2767   -0.4155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2026    0.9570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7922    2.3673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2026   -0.1603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7922   -1.5706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2009   -0.5017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1612    1.5156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1612   -0.7224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3181   -0.4534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6802   -1.4879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1336    0.9570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1336   -0.1603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8319    0.5432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9146   -1.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9491    0.6052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0319   -1.3396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5560   -0.3568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  2  0  0  0  0
  3  8  1  0  0  0  0
  3  9  2  0  0  0  0
  4 10  1  0  0  0  0
  6 11  1  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  2  0  0  0  0
 11 15  2  0  0  0  0
 12 16  2  0  0  0  0
 13 17  2  0  0  0  0
 13 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
  6  8  2  0  0  0  0
 15 16  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (3,982)
3982

>  <Formula> (3,982)
C17H12O4

>  <MolWeight> (3,982)
280.27478

>  <COMPOUND_NAME> (3,982)
GI-505853

>  <BAR_CODE_NO> (3,982)
90463274

$$$$
SD-53075
csChFnd80/06171916322D

 18 20  0  0  0  0  0  0  0  0999 V2000
    2.5583   -0.7511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6859    0.4178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4410   -1.2511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6548   -1.2615    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7445    1.1385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8652    0.6799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4617   -0.5201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4755   -0.3649    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6169    0.6764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2728    1.5489    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5210    1.3420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1693    0.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2003    2.3420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3934    0.4420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7038   -0.8029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1279   -0.5132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4452   -1.7822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6693   -1.6270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
  6  8  2  0  0  0  0
  7  9  2  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (3,983)
3983

>  <Formula> (3,983)
C14H11N3O

>  <MolWeight> (3,983)
237.25664

>  <COMPOUND_NAME> (3,983)
SD-53075

>  <BAR_CODE_NO> (3,983)
90446624

$$$$
WAY-273170
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
    0.2750   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2750    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792   -0.9917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5125   -0.8292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7042    0.2458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000   -0.1542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7042   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5125    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4292   -0.9917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8125   -1.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8667   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792    1.4958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1417   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8667   -1.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5750    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3000   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0167    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2917    0.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0167   -0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7292    0.6625    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833   -2.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6333   -1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833   -3.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208   -2.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4083   -3.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  8  1  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8  3  2  0  0  0  0
  9  2  1  0  0  0  0
 10  8  1  0  0  0  0
 11  4  1  0  0  0  0
 12 15  1  0  0  0  0
 13  6  2  0  0  0  0
 14 12  1  0  0  0  0
 15 10  1  0  0  0  0
 16 12  2  0  0  0  0
 17 14  1  0  0  0  0
 18 14  2  0  0  0  0
 19 21  2  0  0  0  0
 20 17  2  0  0  0  0
 21 18  1  0  0  0  0
 22 19  1  0  0  0  0
 23 11  1  0  0  0  0
 24 11  2  0  0  0  0
 25 23  2  0  0  0  0
 26 24  1  0  0  0  0
 27 26  2  0  0  0  0
  9  7  2  0  0  0  0
  5  6  1  0  0  0  0
 27 25  1  0  0  0  0
 20 19  1  0  0  0  0
M  END
>  <Mol_ID> (3,984)
3984

>  <Formula> (3,984)
C19H13ClN4O2S

>  <MolWeight> (3,984)
396.85012

>  <COMPOUND_NAME> (3,984)
WAY-273170

>  <BAR_CODE_NO> (3,984)
391114

$$$$
WAY-273339
csChFnd80/06171916322D

 19 20  0  0  0  0  0  0  0  0999 V2000
    0.2667   -0.7542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4500   -2.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2875   -2.4375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4500   -1.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042   -1.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042   -2.0167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708   -2.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7500   -0.7542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1958   -0.7542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7500    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7500    1.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7500    2.6125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.0292    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4667    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292    1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4667    1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1125   -3.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8625   -2.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9458   -1.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  2  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  4  2  0  0  0  0
 10  8  1  0  0  0  0
 11 16  1  0  0  0  0
 12 11  1  0  0  0  0
 13 10  2  0  0  0  0
 14 10  1  0  0  0  0
 15 13  1  0  0  0  0
 16 14  2  0  0  0  0
 17  7  1  0  0  0  0
 18  7  1  0  0  0  0
 19  7  1  0  0  0  0
  3  2  2  0  0  0  0
 11 15  2  0  0  0  0
M  END
>  <Mol_ID> (3,985)
3985

>  <Formula> (3,985)
C13H15ClN4O

>  <MolWeight> (3,985)
278.7374

>  <COMPOUND_NAME> (3,985)
WAY-273339

>  <BAR_CODE_NO> (3,985)
391283

$$$$
WAY-273429
csChFnd80/06171916322D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -3.1500    2.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7958    2.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1500    1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4375    2.7958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4375    1.5833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4458    2.5625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7958    1.4375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0000    2.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7958    3.6875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4458    1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1500    4.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8500    4.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1958    5.1875    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.1500    4.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5000    3.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5083    5.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8500    4.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  2  0  0  0  0
  7  3  1  0  0  0  0
  8  4  2  0  0  0  0
  9  2  1  0  0  0  0
 10  7  2  0  0  0  0
 11  9  1  0  0  0  0
 12 17  2  0  0  0  0
 13 12  1  0  0  0  0
 14 11  1  0  0  0  0
 15 11  2  0  0  0  0
 16 14  2  0  0  0  0
 17 15  1  0  0  0  0
  8  5  1  0  0  0  0
 10  6  1  0  0  0  0
 16 12  1  0  0  0  0
M  END
>  <Mol_ID> (3,986)
3986

>  <Formula> (3,986)
C11H8BrN5

>  <MolWeight> (3,986)
290.11872

>  <COMPOUND_NAME> (3,986)
WAY-273429

>  <BAR_CODE_NO> (3,986)
391373

$$$$
WAY-273438
csChFnd80/06171916322D

 23 26  0  0  0  0  0  0  0  0999 V2000
   -3.1500    2.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7958    2.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7958    3.6875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1500    1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4375    2.7958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7958    5.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7958    5.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4375    1.5833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4458    2.5625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7958    1.4375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0000    2.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4458    1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1500    6.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4458    4.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1500    4.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4458    4.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1500    4.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4458    6.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1500    7.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4458    7.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7958    7.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4958    5.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1000    7.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  2  0  0  0  0
  5  1  1  0  0  0  0
  6 17  1  0  0  0  0
  7  6  1  0  0  0  0
  8  4  1  0  0  0  0
  9  2  2  0  0  0  0
 10  4  1  0  0  0  0
 11  5  2  0  0  0  0
 12 10  2  0  0  0  0
 13  7  2  0  0  0  0
 14  3  1  0  0  0  0
 15  3  1  0  0  0  0
 16 14  1  0  0  0  0
 17 15  1  0  0  0  0
 18  7  1  0  0  0  0
 19 13  1  0  0  0  0
 20 18  2  0  0  0  0
 21 20  1  0  0  0  0
 22 13  1  0  0  0  0
 23 20  1  0  0  0  0
 11  8  1  0  0  0  0
 12  9  1  0  0  0  0
 16  6  1  0  0  0  0
 21 19  2  0  0  0  0
M  END
>  <Mol_ID> (3,987)
3987

>  <Formula> (3,987)
C17H20N6

>  <MolWeight> (3,987)
308.3809

>  <COMPOUND_NAME> (3,987)
WAY-273438

>  <BAR_CODE_NO> (3,987)
391384

$$$$
WAY-273461
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
    5.8875   -7.7792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8875   -6.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1542   -8.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4375   -7.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1542   -6.5250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4375   -6.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6167   -6.5167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6417   -8.0417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.6042   -8.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1542   -9.0417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6417   -6.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1500   -7.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3417   -6.9417    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.3375   -7.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6042   -9.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0667   -6.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3417   -7.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7917   -6.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0625   -8.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3292   -9.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0625   -9.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  2  0  0  0  0
  6  4  2  0  0  0  0
  7  2  1  0  0  0  0
  8  4  1  0  0  0  0
  9  1  1  0  0  0  0
 10  3  2  0  0  0  0
 11  6  1  0  0  0  0
 12  8  1  0  0  0  0
 13  7  1  0  0  0  0
 14  9  1  0  0  0  0
 15  9  2  0  0  0  0
 16 13  1  0  0  0  0
 17 13  1  0  0  0  0
 18 16  1  0  0  0  0
 19 14  2  0  0  0  0
 20 15  1  0  0  0  0
 21 20  2  0  0  0  0
  5  6  1  0  0  0  0
 19 21  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (3,988)
3988

>  <Formula> (3,988)
C16H18N2OS2

>  <MolWeight> (3,988)
318.45692

>  <COMPOUND_NAME> (3,988)
WAY-273461

>  <BAR_CODE_NO> (3,988)
391407

$$$$
WAY-273502
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -2.0125    1.7375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6625    1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0125    2.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3083    1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6625    2.8625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3083    2.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0208    1.5083    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708    1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6625    0.6125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3583    2.8708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0208    2.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708    0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208    1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4583    2.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708    1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208    0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708    0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7083    2.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917    0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583    2.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917    2.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  2  0  0  0  0
  6  5  1  0  0  0  0
  7  4  1  0  0  0  0
  8  1  1  0  0  0  0
  9  2  2  0  0  0  0
 10  3  1  0  0  0  0
 11  6  1  0  0  0  0
 12  8  2  0  0  0  0
 13  8  1  0  0  0  0
 14  7  1  0  0  0  0
 15 13  2  0  0  0  0
 16 12  1  0  0  0  0
 17 15  1  0  0  0  0
 18 10  1  0  0  0  0
 19 17  1  0  0  0  0
 20 18  1  0  0  0  0
 21 20  1  0  0  0  0
  4  6  2  0  0  0  0
 17 16  2  0  0  0  0
 11 14  1  0  0  0  0
M  END
>  <Mol_ID> (3,989)
3989

>  <Formula> (3,989)
C16H18N2OS2

>  <MolWeight> (3,989)
318.45692

>  <COMPOUND_NAME> (3,989)
WAY-273502

>  <BAR_CODE_NO> (3,989)
391447

$$$$
WAY-273729
csChFnd80/06171916322D

 31 35  0  0  0  0  0  0  0  0999 V2000
   -2.0125    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833    1.5958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2833    1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208    2.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7500    2.4583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6125    0.7375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9958    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2250    1.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208    2.8583    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0500    1.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0375    0.3208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500    4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4875    4.8292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792    3.9833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    3.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0125    5.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5000    2.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9583    1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4500    1.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1792    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7417    5.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208    6.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2333    2.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4583    1.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9125    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1792    1.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792    6.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2417    5.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4125    1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0125    6.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8  3  1  0  0  0  0
  9  7  1  0  0  0  0
 10  5  1  0  0  0  0
 11  2  1  0  0  0  0
 12  4  2  0  0  0  0
 13 16  1  0  0  0  0
 14 13  1  0  0  0  0
 15 13  2  0  0  0  0
 16 10  1  0  0  0  0
 17 14  1  0  0  0  0
 18  8  1  0  0  0  0
 19  9  1  0  0  0  0
 20 11  1  0  0  0  0
 21 11  2  0  0  0  0
 22 17  2  0  0  0  0
 23 17  1  0  0  0  0
 24 18  2  0  0  0  0
 25 19  2  0  0  0  0
 26 21  1  0  0  0  0
 27 20  2  0  0  0  0
 28 23  2  0  0  0  0
 29 22  1  0  0  0  0
 30 26  2  0  0  0  0
 31 28  1  0  0  0  0
  8  9  2  0  0  0  0
  6  5  2  0  0  0  0
 25 24  1  0  0  0  0
 30 27  1  0  0  0  0
 31 29  2  0  0  0  0
M  END
>  <Mol_ID> (3,990)
3990

>  <Formula> (3,990)
C24H18N4O2S

>  <MolWeight> (3,990)
426.49032

>  <COMPOUND_NAME> (3,990)
WAY-273729

>  <BAR_CODE_NO> (3,990)
391674

$$$$
WAY-274015
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -2.7125    2.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5375    2.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2333    3.0833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4583    1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7958    1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1250    1.1458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6750    1.3708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9250    3.5250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5375    2.6458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1208    0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9000    0.2708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0833    4.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208    3.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9500   -0.7917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833    5.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958    5.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458    4.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958    5.7500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -5.2083    1.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7583    0.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9833    1.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5458    0.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1500    0.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  2  2  0  0  0  0
  6  4  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  1  0  0  0  0
  9  3  2  0  0  0  0
 10  3  2  0  0  0  0
 11 16  1  0  0  0  0
 12  5  1  0  0  0  0
 13 11  2  0  0  0  0
 14  7  1  0  0  0  0
 15  7  2  0  0  0  0
 16  8  1  0  0  0  0
 17 11  1  0  0  0  0
 18 20  2  0  0  0  0
 19 14  2  0  0  0  0
 20 15  1  0  0  0  0
 21 18  1  0  0  0  0
 22 12  2  0  0  0  0
 23 12  1  0  0  0  0
 24 22  1  0  0  0  0
 25 23  2  0  0  0  0
 26 25  1  0  0  0  0
  6  5  1  0  0  0  0
 19 18  1  0  0  0  0
 26 24  2  0  0  0  0
M  END
>  <Mol_ID> (3,991)
3991

>  <Formula> (3,991)
C17H13BrN2O4S2

>  <MolWeight> (3,991)
453.33012

>  <COMPOUND_NAME> (3,991)
WAY-274015

>  <BAR_CODE_NO> (3,991)
391960

$$$$
WAY-274017
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -2.7125    2.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5375    2.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2333    3.0833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4583    1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7958    1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1250    1.1458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6750    1.3708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9250    3.5250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5375    2.6458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1208    0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9000    0.2708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0833    4.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208    3.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7583    0.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1958    1.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9500   -0.7917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958    5.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5375    0.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9708    1.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4375    4.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1292    0.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7750    5.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9292    0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2875    5.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  2  2  0  0  0  0
  6  4  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  1  0  0  0  0
  9  3  2  0  0  0  0
 10  3  2  0  0  0  0
 11  5  1  0  0  0  0
 12 16  1  0  0  0  0
 13 12  2  0  0  0  0
 14  7  1  0  0  0  0
 15  7  2  0  0  0  0
 16  8  1  0  0  0  0
 17 11  1  0  0  0  0
 18 11  2  0  0  0  0
 19 12  1  0  0  0  0
 20 14  2  0  0  0  0
 21 17  2  0  0  0  0
 22 18  1  0  0  0  0
 23 15  1  0  0  0  0
 24 22  2  0  0  0  0
 25 23  2  0  0  0  0
 26 24  1  0  0  0  0
 27 25  1  0  0  0  0
  6  5  1  0  0  0  0
 20 25  1  0  0  0  0
 24 21  1  0  0  0  0
M  END
>  <Mol_ID> (3,992)
3992

>  <Formula> (3,992)
C19H18N2O4S2

>  <MolWeight> (3,992)
402.48722

>  <COMPOUND_NAME> (3,992)
WAY-274017

>  <BAR_CODE_NO> (3,992)
391962

$$$$
WAY-274019
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -2.7125    2.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5375    2.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2333    3.0833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4583    1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7958    1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1250    1.1458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6750    1.3708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9250    3.5250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5375    2.6458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1208    0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9000    0.2708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0833    4.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208    3.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7583    0.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1958    1.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9500   -0.7917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833    5.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958    5.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458    4.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5375    0.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9708    1.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1292    0.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958    5.7500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -6.9292    0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  2  2  0  0  0  0
  6  4  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  1  0  0  0  0
  9  3  2  0  0  0  0
 10  3  2  0  0  0  0
 11  5  1  0  0  0  0
 12 16  1  0  0  0  0
 13 12  2  0  0  0  0
 14  7  1  0  0  0  0
 15  7  2  0  0  0  0
 16  8  1  0  0  0  0
 17 11  1  0  0  0  0
 18 11  2  0  0  0  0
 19 12  1  0  0  0  0
 20 22  2  0  0  0  0
 21 14  2  0  0  0  0
 22 15  1  0  0  0  0
 23 17  2  0  0  0  0
 24 18  1  0  0  0  0
 25 24  2  0  0  0  0
 26 20  1  0  0  0  0
 27 25  1  0  0  0  0
  6  5  1  0  0  0  0
 21 20  1  0  0  0  0
 25 23  1  0  0  0  0
M  END
>  <Mol_ID> (3,993)
3993

>  <Formula> (3,993)
C18H15BrN2O4S2

>  <MolWeight> (3,993)
467.3567

>  <COMPOUND_NAME> (3,993)
WAY-274019

>  <BAR_CODE_NO> (3,993)
391964

$$$$
WAY-274022
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -2.7125    2.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5375    2.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2333    3.0833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4583    1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7958    1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1250    1.1458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6750    1.3708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9250    3.5250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5375    2.6458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1208    0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9000    0.2708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0833    4.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208    3.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7583    0.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1958    1.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9500   -0.7917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1292    0.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9708    1.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5375    0.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958    5.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4375    4.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7750    5.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9292    0.6000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2875    5.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  2  2  0  0  0  0
  6  4  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  1  0  0  0  0
  9  3  2  0  0  0  0
 10  3  2  0  0  0  0
 11  5  1  0  0  0  0
 12 16  1  0  0  0  0
 13 12  2  0  0  0  0
 14  7  1  0  0  0  0
 15  7  2  0  0  0  0
 16  8  1  0  0  0  0
 17 11  1  0  0  0  0
 18 11  2  0  0  0  0
 19 12  1  0  0  0  0
 20 21  2  0  0  0  0
 21 18  1  0  0  0  0
 22 17  2  0  0  0  0
 23 14  2  0  0  0  0
 24 15  1  0  0  0  0
 25 24  2  0  0  0  0
 26 20  1  0  0  0  0
 27 25  1  0  0  0  0
  6  5  1  0  0  0  0
 23 25  1  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (3,994)
3994

>  <Formula> (3,994)
C18H15FN2O4S2

>  <MolWeight> (3,994)
406.4511032

>  <COMPOUND_NAME> (3,994)
WAY-274022

>  <BAR_CODE_NO> (3,994)
391967

$$$$
WAY-274025
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -2.7125    2.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5375    2.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2333    3.0833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4583    1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7958    1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1250    1.1458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6750    1.3708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9250    3.5250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5375    2.6458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1208    0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9000    0.2708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0833    4.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208    3.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7583    0.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1958    1.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9500   -0.7917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833    5.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1292    0.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958    5.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9708    1.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458    4.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5375    0.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9292    0.6000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958    5.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  2  2  0  0  0  0
  6  4  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  1  0  0  0  0
  9  3  2  0  0  0  0
 10  3  2  0  0  0  0
 11  5  1  0  0  0  0
 12 16  1  0  0  0  0
 13 12  2  0  0  0  0
 14  7  1  0  0  0  0
 15  7  2  0  0  0  0
 16  8  1  0  0  0  0
 17 11  1  0  0  0  0
 18 11  2  0  0  0  0
 19 12  1  0  0  0  0
 20 24  2  0  0  0  0
 21 23  2  0  0  0  0
 22 14  2  0  0  0  0
 23 18  1  0  0  0  0
 24 15  1  0  0  0  0
 25 17  2  0  0  0  0
 26 21  1  0  0  0  0
 27 20  1  0  0  0  0
  6  5  1  0  0  0  0
 22 20  1  0  0  0  0
 21 25  1  0  0  0  0
M  END
>  <Mol_ID> (3,995)
3995

>  <Formula> (3,995)
C17H12ClFN2O4S2

>  <MolWeight> (3,995)
426.8695832

>  <COMPOUND_NAME> (3,995)
WAY-274025

>  <BAR_CODE_NO> (3,995)
391970

$$$$
WAY-274030
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -2.7125    2.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5375    2.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2333    3.0833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4583    1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7958    1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1250    1.1458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6750    1.3708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9250    3.5250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5375    2.6458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8458    0.5833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2583    1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6583    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9208    1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208    3.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0833    4.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208    0.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1208    0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458    4.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958    5.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833    5.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  2  2  0  0  0  0
  6  4  1  0  0  0  0
  7  5  1  0  0  0  0
  8  4  1  0  0  0  0
  9  3  2  0  0  0  0
 10  3  2  0  0  0  0
 11  3  1  0  0  0  0
 12  7  1  0  0  0  0
 13  7  2  0  0  0  0
 14 12  1  0  0  0  0
 15 13  1  0  0  0  0
 16  8  1  0  0  0  0
 17 11  2  0  0  0  0
 18 11  1  0  0  0  0
 19 16  1  0  0  0  0
 20 16  1  0  0  0  0
 21 17  1  0  0  0  0
 22 18  2  0  0  0  0
 23 22  1  0  0  0  0
  6  5  1  0  0  0  0
 23 21  2  0  0  0  0
 14 15  2  0  0  0  0
M  END
>  <Mol_ID> (3,996)
3996

>  <Formula> (3,996)
C16H15NO4S2

>  <MolWeight> (3,996)
349.4246

>  <COMPOUND_NAME> (3,996)
WAY-274030

>  <BAR_CODE_NO> (3,996)
391975

$$$$
WAY-274107
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -2.3708    2.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8833    3.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    2.5958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3708    3.6833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    3.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1083    1.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6625    0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5000    0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0625    3.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7250   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833    2.3458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708    2.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1125   -0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5625   -0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708    3.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3000    1.2333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5958    3.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167    2.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    2.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    3.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1875    3.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1750   -1.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9500   -1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1125    0.4208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0125   -2.2542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2750    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6208   -2.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  2  1  0  0  0  0
 10  8  1  0  0  0  0
 11  9  1  0  0  0  0
 12  3  1  0  0  0  0
 13  8  2  0  0  0  0
 14 10  2  0  0  0  0
 15  5  1  0  0  0  0
 16  7  2  0  0  0  0
 17  9  2  0  0  0  0
 18 11  1  0  0  0  0
 19 12  2  0  0  0  0
 20 19  1  0  0  0  0
 21 17  1  0  0  0  0
 22 23  2  0  0  0  0
 23 13  1  0  0  0  0
 24 10  1  0  0  0  0
 25 22  1  0  0  0  0
 26 24  1  0  0  0  0
 27 25  1  0  0  0  0
  5  4  2  0  0  0  0
 20 15  2  0  0  0  0
 21 18  2  0  0  0  0
 14 22  1  0  0  0  0
M  END
>  <Mol_ID> (3,997)
3997

>  <Formula> (3,997)
C20H17N3O3S

>  <MolWeight> (3,997)
379.43228

>  <COMPOUND_NAME> (3,997)
WAY-274107

>  <BAR_CODE_NO> (3,997)
392052

$$$$
WAY-274110
csChFnd80/06171916322D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -2.3708    2.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8833    3.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    2.5958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3708    3.6833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    3.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1083    1.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6625    0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0625    3.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833    2.3458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708    2.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708    3.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5000    0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5958    3.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3000    1.2333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167    2.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    2.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    3.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1875    3.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1083   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7083   -0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5583   -0.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9500   -1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1875   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0333   -2.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  2  1  0  0  0  0
  9  8  1  0  0  0  0
 10  3  1  0  0  0  0
 11  5  1  0  0  0  0
 12  7  1  0  0  0  0
 13  8  2  0  0  0  0
 14  7  2  0  0  0  0
 15  9  1  0  0  0  0
 16 10  2  0  0  0  0
 17 16  1  0  0  0  0
 18 13  1  0  0  0  0
 19 12  2  0  0  0  0
 20 12  1  0  0  0  0
 21 20  2  0  0  0  0
 22 19  1  0  0  0  0
 23 21  1  0  0  0  0
 24 23  1  0  0  0  0
  5  4  2  0  0  0  0
 17 11  2  0  0  0  0
 18 15  2  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (3,998)
3998

>  <Formula> (3,998)
C19H15N3OS

>  <MolWeight> (3,998)
333.4069

>  <COMPOUND_NAME> (3,998)
WAY-274110

>  <BAR_CODE_NO> (3,998)
392055

$$$$
WAY-277034
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    0.3500   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1500   -0.4375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9875   -0.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6500   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542    0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4708    0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4500    0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0375    0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000   -0.1542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292    0.6333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4042    0.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500   -0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5708    0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2167   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3208    0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1500    0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8375   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8042   -0.1792    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9958    0.2500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.0208   -0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0333    0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4500    0.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458   -0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  2  0  0  0  0
  6  5  1  0  0  0  0
  7  3  1  0  0  0  0
  8  7  1  0  0  0  0
  9  4  1  0  0  0  0
 10  7  2  0  0  0  0
 11  8  2  0  0  0  0
 12  8  1  0  0  0  0
 13  9  1  0  0  0  0
 14 17  1  0  0  0  0
 15 21  1  0  0  0  0
 16 13  1  0  0  0  0
 17 12  2  0  0  0  0
 18 11  1  0  0  0  0
 19 14  1  0  0  0  0
 20 15  1  0  0  0  0
 21 24  2  0  0  0  0
 22 23  1  0  0  0  0
 23 16  2  0  0  0  0
 24 16  1  0  0  0  0
  4  6  2  0  0  0  0
 14 18  2  0  0  0  0
 22 15  2  0  0  0  0
M  END
>  <Mol_ID> (3,999)
3999

>  <Formula> (3,999)
C16H11BrFN3OS2

>  <MolWeight> (3,999)
424.3104432

>  <COMPOUND_NAME> (3,999)
WAY-277034

>  <BAR_CODE_NO> (3,999)
389733

$$$$
WAY-277054
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    0.3500   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1500   -0.4375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4500    0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9875   -0.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6500   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542    0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4708    0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0375    0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000   -0.1542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500   -0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292    0.6333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5708    0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8500   -1.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458   -0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0500   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1625    0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4500   -0.8167    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4042    0.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0708    0.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8375   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3625    0.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4708    0.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2167   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  2  0  0  0  0
  7  6  1  0  0  0  0
  8  3  1  0  0  0  0
  9  5  1  0  0  0  0
 10  8  1  0  0  0  0
 11  3  2  0  0  0  0
 12  9  1  0  0  0  0
 13 10  1  0  0  0  0
 14 16  1  0  0  0  0
 15 14  2  0  0  0  0
 16 12  1  0  0  0  0
 17 15  1  0  0  0  0
 18  8  2  0  0  0  0
 19 22  1  0  0  0  0
 20 10  2  0  0  0  0
 21 19  2  0  0  0  0
 22 16  2  0  0  0  0
 23 18  1  0  0  0  0
 24 23  2  0  0  0  0
  7  5  2  0  0  0  0
 24 20  1  0  0  0  0
 15 21  1  0  0  0  0
M  END
>  <Mol_ID> (4,000)
4000

>  <Formula> (4,000)
C16H11ClFN3OS2

>  <MolWeight> (4,000)
379.8594432

>  <COMPOUND_NAME> (4,000)
WAY-277054

>  <BAR_CODE_NO> (4,000)
389753

$$$$
WAY-277086
csChFnd80/06171916322D

 28 30  0  0  0  0  0  0  0  0999 V2000
   -0.2000   -0.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000   -1.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8125   -1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000   -0.3000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.0000   -2.1667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8125   -0.7667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000    0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000    1.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6000   -2.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6333   -2.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000    2.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542    0.6333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8125    1.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8125    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9833   -3.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3792   -0.7292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792    2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9833    3.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3792   -1.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6000   -3.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1792   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542    3.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000   -3.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1875   -2.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042   -3.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  6  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  1  1  0  0  0  0
  8  4  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11  2  1  0  0  0  0
 12  3  2  0  0  0  0
 13 16  2  0  0  0  0
 14  7  2  0  0  0  0
 15  8  2  0  0  0  0
 16 15  1  0  0  0  0
 17  5  1  0  0  0  0
 18  7  1  0  0  0  0
 19 10  1  0  0  0  0
 20 13  1  0  0  0  0
 21 11  2  0  0  0  0
 22 11  1  0  0  0  0
 23 18  1  0  0  0  0
 24 19  1  0  0  0  0
 25 23  1  0  0  0  0
 26 22  2  0  0  0  0
 27 21  1  0  0  0  0
 28 26  1  0  0  0  0
  3  5  1  0  0  0  0
 13 10  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <Mol_ID> (4,001)
4001

>  <Formula> (4,001)
C21H22N2O5

>  <MolWeight> (4,001)
382.40978

>  <COMPOUND_NAME> (4,001)
WAY-277086

>  <BAR_CODE_NO> (4,001)
389785

$$$$
WAY-277087
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.5458    0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0625    0.3958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292    0.9333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7625    0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208    1.6333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6625    1.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4833    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8000    0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042   -0.4167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5833   -0.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    1.6125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.7667   -0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2833   -0.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1000    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5667    0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5500   -0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9208   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9500    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8208    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9  5  1  0  0  0  0
 10  6  2  0  0  0  0
 11  3  2  0  0  0  0
 12  9  2  0  0  0  0
 13 10  1  0  0  0  0
 14  6  1  0  0  0  0
 15 12  1  0  0  0  0
 16  9  1  0  0  0  0
 17 10  1  0  0  0  0
 18 14  2  0  0  0  0
 19 21  1  0  0  0  0
 20 18  1  0  0  0  0
 21 16  2  0  0  0  0
  8  5  2  0  0  0  0
 17 20  2  0  0  0  0
 19 15  2  0  0  0  0
M  END
>  <Mol_ID> (4,002)
4002

>  <Formula> (4,002)
C15H10BrN3OS

>  <MolWeight> (4,002)
360.2284

>  <COMPOUND_NAME> (4,002)
WAY-277087

>  <BAR_CODE_NO> (4,002)
389786

$$$$
WAY-277119
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -1.3125    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3125   -1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -1.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7708   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7625    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333   -2.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1458   -2.8500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2000    1.7833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0500    1.0500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6958   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542   -2.0792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1333    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1333   -1.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9500    1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0333   -1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0333    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4958   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    1.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3958   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9542    2.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2792    1.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4042    3.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7500    2.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3042    3.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  6  2  0  0  0  0
  3  4  1  0  0  0  0
  4  1  2  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  8  3  0  0  0  0
 10  7  3  0  0  0  0
 11  4  1  0  0  0  0
 12  6  1  0  0  0  0
 13  5  1  0  0  0  0
 14 12  2  0  0  0  0
 15 12  1  0  0  0  0
 16 11  1  0  0  0  0
 17 15  2  0  0  0  0
 18 14  1  0  0  0  0
 19 17  1  0  0  0  0
 20 16  1  0  0  0  0
 21 19  1  0  0  0  0
 22 20  1  0  0  0  0
 23 20  2  0  0  0  0
 24 22  2  0  0  0  0
 25 23  1  0  0  0  0
 26 25  2  0  0  0  0
  3  5  2  0  0  0  0
 19 18  2  0  0  0  0
 26 24  1  0  0  0  0
M  END
>  <Mol_ID> (4,003)
4003

>  <Formula> (4,003)
C21H16N4S

>  <MolWeight> (4,003)
356.44354

>  <COMPOUND_NAME> (4,003)
WAY-277119

>  <BAR_CODE_NO> (4,003)
389818

$$$$
WAY-277300
csChFnd80/06171916322D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -0.0914   -0.4855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5169   -0.0480    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8164   -0.2397    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1419   -1.1980    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1086   -0.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8794   -1.2022    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9706    0.4812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6789    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3289    0.3395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4164    0.9812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8331    1.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8914    0.8437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5789    1.5187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8336   -0.2647    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3836   -0.7772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0961   -0.5522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6461   -1.0647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  3  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  7  2  0  0  0  0
 11  8  2  0  0  0  0
 12  9  1  0  0  0  0
 13 11  1  0  0  0  0
 14  5  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
  5  6  2  0  0  0  0
 12 13  2  0  0  0  0
M  END
>  <Mol_ID> (4,004)
4004

>  <Formula> (4,004)
C10H11N3O2S2

>  <MolWeight> (4,004)
269.34324

>  <COMPOUND_NAME> (4,004)
WAY-277300

>  <BAR_CODE_NO> (4,004)
390000

$$$$
WAY-277360
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
    8.1001    9.1827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1001    9.9946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5096    8.7029    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9560    9.9700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9929    9.2319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8013    8.7767    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8013   10.4006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5025    9.9946    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4727    7.8787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5025    9.1827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3655   10.5154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1698    7.4112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7304    7.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7972   11.2371    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3866    6.2056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6854    6.6485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1329    6.5870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3497    5.3814    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2283   12.9020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5905   10.2817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5501   11.3109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5148   11.6554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5107   12.4756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6116    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2283   13.7304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9596   11.8645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   10.8311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1722   11.6308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8 10  1  0  0  0  0
  9  3  1  0  0  0  0
 10  6  2  0  0  0  0
 11  4  1  0  0  0  0
 12  9  2  0  0  0  0
 13  9  1  0  0  0  0
 14  7  1  0  0  0  0
 15 16  1  0  0  0  0
 16 13  2  0  0  0  0
 17 12  1  0  0  0  0
 18 15  1  0  0  0  0
 19 23  1  0  0  0  0
 20 11  1  0  0  0  0
 21 11  2  0  0  0  0
 22 14  1  0  0  0  0
 23 22  1  0  0  0  0
 24 18  1  0  0  0  0
 25 19  1  0  0  0  0
 26 21  1  0  0  0  0
 27 20  2  0  0  0  0
 28 26  2  0  0  0  0
  5  4  2  0  0  0  0
  7  8  2  0  0  0  0
 17 15  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (4,005)
4005

>  <Formula> (4,005)
C22H22N4O2

>  <MolWeight> (4,005)
374.43568

>  <COMPOUND_NAME> (4,005)
WAY-277360

>  <BAR_CODE_NO> (4,005)
390060

$$$$
WAY-277364
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
    8.1013    8.8027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1013    9.6150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5105    8.3228    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9568    9.5904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9937    8.8520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8027    8.3966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8027   10.0211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5042    9.6150    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4736    7.4982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5042    8.8027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3660   10.1360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1628    7.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7311    7.1086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7986   10.8579    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3875    5.8245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6860    6.2717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1259    6.2102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3506    5.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.9687   11.2887    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5907    9.9022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5506   10.9318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5247   11.2764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2508   10.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9599   11.4856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   10.4518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1723   11.2518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8 10  1  0  0  0  0
  9  3  1  0  0  0  0
 10  6  2  0  0  0  0
 11  4  1  0  0  0  0
 12  9  2  0  0  0  0
 13  9  1  0  0  0  0
 14  7  1  0  0  0  0
 15 16  1  0  0  0  0
 16 13  2  0  0  0  0
 17 12  1  0  0  0  0
 18 15  1  0  0  0  0
 19 23  1  0  0  0  0
 20 11  1  0  0  0  0
 21 11  2  0  0  0  0
 22 14  1  0  0  0  0
 23 22  1  0  0  0  0
 24 21  1  0  0  0  0
 25 20  2  0  0  0  0
 26 24  2  0  0  0  0
  5  4  2  0  0  0  0
  7  8  2  0  0  0  0
 15 17  2  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (4,006)
4006

>  <Formula> (4,006)
C20H17FN4O

>  <MolWeight> (4,006)
348.3735832

>  <COMPOUND_NAME> (4,006)
WAY-277364

>  <BAR_CODE_NO> (4,006)
390064

$$$$
WAY-277374
csChFnd80/06171916322D

 29 33  0  0  0  0  0  0  0  0999 V2000
   -1.4333    1.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333    1.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0333    0.6208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5958    1.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5583    1.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208    2.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7250    3.1958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208    0.6958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0708   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083    1.9333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7375    4.8792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708   -0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083    1.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1958    2.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4583    3.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    3.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4750    4.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4083   -1.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958   -1.9875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.8250   -0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583    5.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8708   -1.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9833    2.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0083    3.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1583   -1.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    2.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6083    3.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4083    3.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  2  1  0  0  0  0
  9  3  1  0  0  0  0
 10  6  2  0  0  0  0
 11 18  1  0  0  0  0
 12  9  2  0  0  0  0
 13 10  1  0  0  0  0
 14  4  1  0  0  0  0
 15  7  1  0  0  0  0
 16  7  1  0  0  0  0
 17 15  1  0  0  0  0
 18 16  1  0  0  0  0
 19 12  1  0  0  0  0
 20 19  1  0  0  0  0
 21  9  1  0  0  0  0
 22 11  1  0  0  0  0
 23 21  2  0  0  0  0
 24 14  1  0  0  0  0
 25 14  2  0  0  0  0
 26 23  1  0  0  0  0
 27 24  2  0  0  0  0
 28 25  1  0  0  0  0
 29 28  2  0  0  0  0
  3  5  1  0  0  0  0
 13  8  2  0  0  0  0
 17 11  1  0  0  0  0
 27 29  1  0  0  0  0
 26 19  2  0  0  0  0
M  END
>  <Mol_ID> (4,007)
4007

>  <Formula> (4,007)
C23H22ClN5

>  <MolWeight> (4,007)
403.90728

>  <COMPOUND_NAME> (4,007)
WAY-277374

>  <BAR_CODE_NO> (4,007)
390074

$$$$
WAY-277375
csChFnd80/06171916322D

 31 35  0  0  0  0  0  0  0  0999 V2000
   -1.4333    1.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333    1.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0333    0.6208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5958    1.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5583    1.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208    2.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7250    3.1958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208    0.6958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0708   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083    1.9333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458    4.8792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708   -0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083    1.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1958    2.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4708    3.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167    3.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4708    4.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083    4.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4083   -1.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958   -1.9875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.8250   -0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    5.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333    7.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8708   -1.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0083    3.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9833    2.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1583   -1.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208    6.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    2.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6083    3.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4083    3.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  2  1  0  0  0  0
  9  3  1  0  0  0  0
 10  6  2  0  0  0  0
 11 18  1  0  0  0  0
 12  9  2  0  0  0  0
 13 10  1  0  0  0  0
 14  4  1  0  0  0  0
 15  7  1  0  0  0  0
 16  7  1  0  0  0  0
 17 15  1  0  0  0  0
 18 16  1  0  0  0  0
 19 12  1  0  0  0  0
 20 19  1  0  0  0  0
 21  9  1  0  0  0  0
 22 11  1  0  0  0  0
 23 28  1  0  0  0  0
 24 21  2  0  0  0  0
 25 14  2  0  0  0  0
 26 14  1  0  0  0  0
 27 24  1  0  0  0  0
 28 22  1  0  0  0  0
 29 26  2  0  0  0  0
 30 25  1  0  0  0  0
 31 29  1  0  0  0  0
  3  5  1  0  0  0  0
 13  8  2  0  0  0  0
 17 11  1  0  0  0  0
 31 30  2  0  0  0  0
 27 19  2  0  0  0  0
M  END
>  <Mol_ID> (4,008)
4008

>  <Formula> (4,008)
C24H24ClN5O

>  <MolWeight> (4,008)
433.93326

>  <COMPOUND_NAME> (4,008)
WAY-277375

>  <BAR_CODE_NO> (4,008)
390075

$$$$
WAY-277795
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -3.2375    2.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9083    2.8208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    2.3333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4958    1.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3833    2.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3333    1.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7000    2.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9083    3.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9333    2.5958    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.9083    0.2708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7625    3.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2375    0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8333    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1708    4.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6250    4.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9083    5.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6250    4.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1708    4.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9000    6.1542    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2625    3.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708    1.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083    1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5125    2.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0375    0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4125    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  2  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  5  1  0  0  0  0
  8  2  1  0  0  0  0
  9  7  1  0  0  0  0
 10 12  1  0  0  0  0
 11  7  2  0  0  0  0
 12  4  1  0  0  0  0
 13  6  1  0  0  0  0
 14  9  1  0  0  0  0
 15  8  2  0  0  0  0
 16  8  1  0  0  0  0
 17 18  1  0  0  0  0
 18 16  2  0  0  0  0
 19 15  1  0  0  0  0
 20 17  1  0  0  0  0
 21  9  1  0  0  0  0
 22 14  1  0  0  0  0
 23 14  2  0  0  0  0
 24 21  1  0  0  0  0
 25 22  2  0  0  0  0
 26 23  1  0  0  0  0
 27 26  2  0  0  0  0
  6  3  2  0  0  0  0
 10 13  1  0  0  0  0
 17 19  2  0  0  0  0
 25 27  1  0  0  0  0
M  END
>  <Mol_ID> (4,009)
4009

>  <Formula> (4,009)
C21H20FN3OS

>  <MolWeight> (4,009)
381.4664032

>  <COMPOUND_NAME> (4,009)
WAY-277795

>  <BAR_CODE_NO> (4,009)
390495

$$$$
WAY-278089
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -1.6333    1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833    1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9250    1.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2583    1.1375    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.2250    1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3458    2.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1458    2.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2250    2.6208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3833    2.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417    2.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542    1.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6833    2.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0167    2.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3458    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7875    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0833    0.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2750    3.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1708    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7792    3.6458    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -4.1708    0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    1.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6833   -0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5708   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1333   -0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5000   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208   -1.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  2  0  0  0  0
  7  9  1  0  0  0  0
  8  5  1  0  0  0  0
  9 12  1  0  0  0  0
 10  8  1  0  0  0  0
 11  5  2  0  0  0  0
 12  1  1  0  0  0  0
 13 11  1  0  0  0  0
 14  3  1  0  0  0  0
 15  2  2  0  0  0  0
 16  4  1  0  0  0  0
 17  9  2  0  0  0  0
 18  6  1  0  0  0  0
 19 10  1  0  0  0  0
 20 14  2  0  0  0  0
 21 20  1  0  0  0  0
 22 16  1  0  0  0  0
 23 16  2  0  0  0  0
 24 20  1  0  0  0  0
 25 22  2  0  0  0  0
 26 23  1  0  0  0  0
 27 26  2  0  0  0  0
  7  6  1  0  0  0  0
 13 10  2  0  0  0  0
 27 25  1  0  0  0  0
 18 21  2  0  0  0  0
M  END
>  <Mol_ID> (4,010)
4010

>  <Formula> (4,010)
C21H17BrN2O3

>  <MolWeight> (4,010)
425.27528

>  <COMPOUND_NAME> (4,010)
WAY-278089

>  <BAR_CODE_NO> (4,010)
390794

$$$$
WAY-278111
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -1.6333    1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9250    1.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833    1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2583    1.1375    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.3458    2.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1458    2.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3833    2.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2250    1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6833    2.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3458    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208    2.6208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7875    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5625    1.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0833    0.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2750    3.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5375    2.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1708    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292    2.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1708    0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    1.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6833   -0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5708   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1333   -0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5000   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208   -1.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  2  0  0  0  0
  6  7  1  0  0  0  0
  7  9  1  0  0  0  0
  8  3  1  0  0  0  0
  9  1  1  0  0  0  0
 10  2  1  0  0  0  0
 11  8  1  0  0  0  0
 12  3  2  0  0  0  0
 13  8  2  0  0  0  0
 14  4  1  0  0  0  0
 15  7  2  0  0  0  0
 16 11  1  0  0  0  0
 17  5  1  0  0  0  0
 18 13  1  0  0  0  0
 19 10  2  0  0  0  0
 20 19  1  0  0  0  0
 21 14  1  0  0  0  0
 22 14  2  0  0  0  0
 23 19  1  0  0  0  0
 24 21  2  0  0  0  0
 25 22  1  0  0  0  0
 26 25  2  0  0  0  0
  6  5  1  0  0  0  0
 18 16  2  0  0  0  0
 26 24  1  0  0  0  0
 17 20  2  0  0  0  0
M  END
>  <Mol_ID> (4,011)
4011

>  <Formula> (4,011)
C21H18N2O3

>  <MolWeight> (4,011)
346.37922

>  <COMPOUND_NAME> (4,011)
WAY-278111

>  <BAR_CODE_NO> (4,011)
390816

$$$$
WAY-278212
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -3.2708    2.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0083    1.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0958    2.5458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3458    1.7583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6750    1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6000    0.4875    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
   -2.7833    3.2125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4250    0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3458    1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    3.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9708    3.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1125   -0.1792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6250    2.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3958    3.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2458    3.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5458    4.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7333    4.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8750    3.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0292    5.1792    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4833    3.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  9  1  0  0  0  0
  7  1  1  0  0  0  0
  8  5  1  0  0  0  0
  9  2  1  0  0  0  0
 10  3  1  0  0  0  0
 11  7  1  0  0  0  0
 12  6  2  0  0  0  0
 13 11  2  0  0  0  0
 14 10  2  0  0  0  0
 15 10  1  0  0  0  0
 16 17  1  0  0  0  0
 17 15  2  0  0  0  0
 18 14  1  0  0  0  0
 19 16  1  0  0  0  0
 20 11  1  0  0  0  0
  4  5  2  0  0  0  0
  8  6  1  0  0  0  0
 18 16  2  0  0  0  0
M  END
>  <Mol_ID> (4,012)
4012

>  <Formula> (4,012)
C13H12FN3O2S

>  <MolWeight> (4,012)
293.3166832

>  <COMPOUND_NAME> (4,012)
WAY-278212

>  <BAR_CODE_NO> (4,012)
390917

$$$$
WAY-335219
csChFnd80/06171916322D

 29 31  0  0  0  0  0  0  0  0999 V2000
   -3.8708    3.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208    4.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083    3.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1500    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4500    3.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958    4.1917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7125    5.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4708    3.0958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2708    4.5167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    3.3958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083    2.9583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167    3.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042    2.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1500    5.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4250    5.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167    2.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000    5.4167    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167    1.7083    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    2.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8750    1.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8417    3.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1292    4.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708    2.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8292    2.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5958    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1625    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1708    0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5958    0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8958   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  3  1  0  0  0  0
  7 15  1  0  0  0  0
  8  1  2  0  0  0  0
  9  1  2  0  0  0  0
 10  1  1  0  0  0  0
 11  3  2  0  0  0  0
 12  6  1  0  0  0  0
 13 12  2  0  0  0  0
 14  4  1  0  0  0  0
 15 14  2  0  0  0  0
 16 13  1  0  0  0  0
 17  7  1  0  0  0  0
 18 16  1  0  0  0  0
 19 10  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  2  0  0  0  0
 22 12  1  0  0  0  0
 23 19  1  0  0  0  0
 24 21  1  0  0  0  0
 25 20  2  0  0  0  0
 26 20  1  0  0  0  0
 27 26  2  0  0  0  0
 28 25  1  0  0  0  0
 29 27  1  0  0  0  0
  2  7  2  0  0  0  0
 29 28  2  0  0  0  0
 16 24  2  0  0  0  0
M  END
>  <Mol_ID> (4,013)
4013

>  <Formula> (4,013)
C21H18ClFN2O3S

>  <MolWeight> (4,013)
432.8956232

>  <COMPOUND_NAME> (4,013)
WAY-335219

>  <BAR_CODE_NO> (4,013)
310220

$$$$
WAY-335256
csChFnd80/06171916322D

 33 35  0  0  0  0  0  0  0  0999 V2000
   -3.8708    3.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208    4.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    3.3958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958    3.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1500    4.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0250    2.5708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7167    2.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4333    3.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9875    2.9833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2833    4.5167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4583    3.0833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2833    3.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    2.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7125    5.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0042    3.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3083    2.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2750    4.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4417    2.5833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1500    5.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1458    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4333    5.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7125    2.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4250    1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1375    2.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7417    1.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958    5.4542    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708    1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4208    2.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7083    1.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4542    0.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708    0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    1.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4667    0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  8  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6 16  1  0  0  0  0
  7  6  1  0  0  0  0
  8  5  2  0  0  0  0
  9  4  1  0  0  0  0
 10  1  2  0  0  0  0
 11  1  2  0  0  0  0
 12  3  1  0  0  0  0
 13  3  1  0  0  0  0
 14 21  1  0  0  0  0
 15 12  1  0  0  0  0
 16 13  1  0  0  0  0
 17  4  2  0  0  0  0
 18  7  2  0  0  0  0
 19  5  1  0  0  0  0
 20 23  1  0  0  0  0
 21 19  2  0  0  0  0
 22  9  1  0  0  0  0
 23 29  2  0  0  0  0
 24 28  1  0  0  0  0
 25  7  1  0  0  0  0
 26 14  1  0  0  0  0
 27 20  1  0  0  0  0
 28 22  2  0  0  0  0
 29 22  1  0  0  0  0
 30 25  1  0  0  0  0
 31 27  1  0  0  0  0
 32 27  1  0  0  0  0
 33 30  1  0  0  0  0
 15  6  1  0  0  0  0
  2 14  2  0  0  0  0
 24 20  2  0  0  0  0
M  END
>  <Mol_ID> (4,014)
4014

>  <Formula> (4,014)
C23H28FN3O5S

>  <MolWeight> (4,014)
477.5489232

>  <COMPOUND_NAME> (4,014)
WAY-335256

>  <BAR_CODE_NO> (4,014)
310257

$$$$
WAY-335319
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    3.8417   -0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3542   -0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3542   -1.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6667   -0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5750   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5750   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6125    0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0792   -1.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0792    0.0208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0625    1.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6667   -2.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9000   -1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4167    0.9333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9042   -2.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3167   -2.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0750   -2.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3125   -3.5500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.8542    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8542   -1.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6292    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417   -0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417   -1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8  4  1  0  0  0  0
  9  4  2  0  0  0  0
 10  7  2  0  0  0  0
 11  8  2  0  0  0  0
 12  8  1  0  0  0  0
 13  7  1  0  0  0  0
 14 15  1  0  0  0  0
 15 12  2  0  0  0  0
 16 11  1  0  0  0  0
 17 14  1  0  0  0  0
 18  5  2  0  0  0  0
 19  6  2  0  0  0  0
 20 13  1  0  0  0  0
 21 18  1  0  0  0  0
 22 19  1  0  0  0  0
  6  5  1  0  0  0  0
 14 16  2  0  0  0  0
 22 21  2  0  0  0  0
M  END
>  <Mol_ID> (4,015)
4015

>  <Formula> (4,015)
C17H12FNO3

>  <MolWeight> (4,015)
297.2804832

>  <COMPOUND_NAME> (4,015)
WAY-335319

>  <BAR_CODE_NO> (4,015)
310320

$$$$
WAY-335382
csChFnd80/06171916322D

 32 35  0  0  0  0  0  0  0  0999 V2000
    5.0042   -3.3042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.6042   -3.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8875   -3.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1667   -3.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3292   -3.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2792   -2.8917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6042   -4.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7292   -3.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8875   -4.9667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4542   -3.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5667   -3.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1667   -4.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0417   -3.7292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5917   -4.0292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4250   -2.5875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8500   -2.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292   -3.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8875   -2.4792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3375   -2.4792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7292   -4.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292   -4.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5667   -4.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4542   -4.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8500   -4.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7625   -3.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2792   -2.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167   -2.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167   -4.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5125   -3.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8500   -2.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6542   -2.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0667   -3.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4 10  2  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  9  1  0  0  0  0
  8  1  1  0  0  0  0
  9 12  1  0  0  0  0
 10  8  1  0  0  0  0
 11  6  1  0  0  0  0
 12 23  2  0  0  0  0
 13  5  1  0  0  0  0
 14  1  2  0  0  0  0
 15  1  2  0  0  0  0
 16 11  2  0  0  0  0
 17 16  1  0  0  0  0
 18  3  2  0  0  0  0
 19  5  2  0  0  0  0
 20  8  2  0  0  0  0
 21 24  1  0  0  0  0
 22 11  1  0  0  0  0
 23 20  1  0  0  0  0
 24 22  2  0  0  0  0
 25 13  1  0  0  0  0
 26  6  1  0  0  0  0
 27 17  1  0  0  0  0
 28 21  1  0  0  0  0
 29 25  1  0  0  0  0
 30 25  1  0  0  0  0
 31 30  1  0  0  0  0
 32 29  1  0  0  0  0
  4 12  1  0  0  0  0
 17 21  2  0  0  0  0
  7  2  2  0  0  0  0
 32 31  1  0  0  0  0
M  END
>  <Mol_ID> (4,016)
4016

>  <Formula> (4,016)
C24H27N3O4S

>  <MolWeight> (4,016)
453.55388

>  <COMPOUND_NAME> (4,016)
WAY-335382

>  <BAR_CODE_NO> (4,016)
310383

$$$$
WAY-301328
csChFnd80/06171916322D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -0.4034   -0.8547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5621    0.0901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8483   -0.3409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6689   -2.2099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3932    1.4901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9070   -0.3616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0863    1.0866    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9345   -1.2754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0207   -2.7306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0448    2.0177    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5310    2.3866    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1552   -1.7961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1759   -0.5616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1311    3.4694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3794   -1.2340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1311    0.8246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
  8 13  1  0  0  0  0
 10 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
  7 10  1  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <Mol_ID> (4,017)
4017

>  <Formula> (4,017)
C11H10N2O3

>  <MolWeight> (4,017)
218.2087

>  <COMPOUND_NAME> (4,017)
WAY-301328

>  <BAR_CODE_NO> (4,017)
90482799

$$$$
WAY-335193
csChFnd80/06171916322D

 30 32  0  0  0  0  0  0  0  0999 V2000
    5.4125   -0.8167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.2667   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5542   -0.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7000   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9792   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5542   -0.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042    0.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2667   -2.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8167   -1.5292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9917   -0.1042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1250   -0.4042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8375    0.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8417   -1.2417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7000   -2.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9792   -2.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167    1.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3125   -0.0042    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.8375    1.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5542   -2.4750    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208    1.6500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.9167   -0.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3417   -0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6292   -0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3417   -1.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0542   -0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7625   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0500   -1.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7667   -1.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  3  1  0  0  0  0
  7  9  2  0  0  0  0
  8 17  1  0  0  0  0
  9 13  1  0  0  0  0
 10  1  2  0  0  0  0
 11  1  2  0  0  0  0
 12  1  1  0  0  0  0
 13  6  1  0  0  0  0
 14  3  2  0  0  0  0
 15 18  2  0  0  0  0
 16  4  1  0  0  0  0
 17 16  2  0  0  0  0
 18 20  1  0  0  0  0
 19  7  1  0  0  0  0
 20 13  2  0  0  0  0
 21  8  1  0  0  0  0
 22 15  1  0  0  0  0
 23 12  1  0  0  0  0
 24 25  1  0  0  0  0
 25 23  1  0  0  0  0
 26 24  2  0  0  0  0
 27 24  1  0  0  0  0
 28 27  2  0  0  0  0
 29 26  1  0  0  0  0
 30 28  1  0  0  0  0
  2  8  2  0  0  0  0
 29 30  2  0  0  0  0
  7 15  1  0  0  0  0
M  END
>  <Mol_ID> (4,018)
4018

>  <Formula> (4,018)
C21H17F3N2O3S

>  <MolWeight> (4,018)
434.4314896

>  <COMPOUND_NAME> (4,018)
WAY-335193

>  <BAR_CODE_NO> (4,018)
310194

$$$$
WAY-335202
csChFnd80/06171916322D

 28 30  0  0  0  0  0  0  0  0999 V2000
    8.2542   -4.3667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.1167   -4.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4000   -4.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5417   -4.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8292   -4.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9667   -3.9542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4000   -3.5542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8417   -3.6542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6667   -5.0792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9667   -1.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1167   -5.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6792   -2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6792   -3.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6875   -4.7917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2417   -2.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5417   -5.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8292   -6.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2500   -3.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9625   -1.0667    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.9667   -3.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4000   -6.0250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.5292   -1.9000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.6792   -4.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6750   -5.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3875   -3.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1042   -4.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3875   -5.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1042   -5.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  1  2  0  0  0  0
  9  1  2  0  0  0  0
 10 12  1  0  0  0  0
 11 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13  7  1  0  0  0  0
 14  3  2  0  0  0  0
 15 18  1  0  0  0  0
 16  4  1  0  0  0  0
 17 16  2  0  0  0  0
 18 20  2  0  0  0  0
 19 10  1  0  0  0  0
 20 13  1  0  0  0  0
 21 11  1  0  0  0  0
 22 15  1  0  0  0  0
 23  6  1  0  0  0  0
 24 23  1  0  0  0  0
 25 23  1  0  0  0  0
 26 25  1  0  0  0  0
 27 24  1  0  0  0  0
 28 26  1  0  0  0  0
  2 11  2  0  0  0  0
 27 28  1  0  0  0  0
 10 15  2  0  0  0  0
M  END
>  <Mol_ID> (4,019)
4019

>  <Formula> (4,019)
C19H19F3N2O3S

>  <MolWeight> (4,019)
412.4259696

>  <COMPOUND_NAME> (4,019)
WAY-335202

>  <BAR_CODE_NO> (4,019)
310203

$$$$
WAY-335203
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
    8.2542   -4.3667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.1167   -4.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4000   -4.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9667   -3.9542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5417   -4.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8292   -4.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3917   -3.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4000   -3.5542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8417   -3.6542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6667   -5.0792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3875   -3.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6792   -2.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9667   -1.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1167   -5.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6792   -2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6792   -4.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9625   -3.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6792   -3.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3500   -2.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1917   -3.3417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6875   -4.7917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2417   -2.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5417   -5.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8292   -6.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2500   -3.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9625   -1.0667    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.9667   -3.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4000   -6.0250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.5292   -1.9000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.1167   -2.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6375   -2.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  6  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  2  0  0  0  0
  7 12  1  0  0  0  0
  8  3  1  0  0  0  0
  9  1  2  0  0  0  0
 10  1  2  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 13 15  1  0  0  0  0
 14 24  1  0  0  0  0
 15 18  2  0  0  0  0
 16  4  1  0  0  0  0
 17  4  1  0  0  0  0
 18  8  1  0  0  0  0
 19  7  1  0  0  0  0
 20  7  1  0  0  0  0
 21  3  2  0  0  0  0
 22 25  1  0  0  0  0
 23  5  1  0  0  0  0
 24 23  2  0  0  0  0
 25 27  2  0  0  0  0
 26 13  1  0  0  0  0
 27 18  1  0  0  0  0
 28 14  1  0  0  0  0
 29 22  1  0  0  0  0
 30 19  1  0  0  0  0
 31 20  1  0  0  0  0
 11  7  1  0  0  0  0
 14  2  2  0  0  0  0
 31 30  1  0  0  0  0
 13 22  2  0  0  0  0
M  END
>  <Mol_ID> (4,020)
4020

>  <Formula> (4,020)
C20H19F3N2O5S

>  <MolWeight> (4,020)
456.4354696

>  <COMPOUND_NAME> (4,020)
WAY-335203

>  <BAR_CODE_NO> (4,020)
310204

$$$$
WAY-335205
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
    8.2542   -4.3667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.9667   -3.9542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1167   -4.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4000   -4.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5417   -4.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0500   -3.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8292   -4.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4000   -3.5542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7167   -4.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8417   -3.6542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6667   -5.0792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9667   -1.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1167   -5.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6792   -2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6792   -3.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8542   -2.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6875   -4.7917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2417   -2.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5417   -5.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2667   -3.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8292   -6.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2500   -3.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9625   -1.0667    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.9667   -3.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4000   -6.0250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.5292   -1.9000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.5042   -2.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1042   -2.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7542   -1.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5542   -1.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  7  1  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  5  2  0  0  0  0
  8  4  1  0  0  0  0
  9  2  1  0  0  0  0
 10  1  2  0  0  0  0
 11  1  2  0  0  0  0
 12 14  1  0  0  0  0
 13 21  1  0  0  0  0
 14 15  2  0  0  0  0
 15  8  1  0  0  0  0
 16  6  2  0  0  0  0
 17  4  2  0  0  0  0
 18 22  1  0  0  0  0
 19  5  1  0  0  0  0
 20  9  1  0  0  0  0
 21 19  2  0  0  0  0
 22 24  2  0  0  0  0
 23 12  1  0  0  0  0
 24 15  1  0  0  0  0
 25 13  1  0  0  0  0
 26 18  1  0  0  0  0
 27  6  1  0  0  0  0
 28 16  1  0  0  0  0
 29 27  2  0  0  0  0
 30 29  1  0  0  0  0
 20 16  1  0  0  0  0
  3 13  2  0  0  0  0
 28 30  2  0  0  0  0
 12 18  2  0  0  0  0
M  END
>  <Mol_ID> (4,021)
4021

>  <Formula> (4,021)
C21H15F3N2O3S

>  <MolWeight> (4,021)
432.4156096

>  <COMPOUND_NAME> (4,021)
WAY-335205

>  <BAR_CODE_NO> (4,021)
310206

$$$$
WAY-335430
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    5.4917   -2.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5000   -2.9250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2042   -3.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7042   -1.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2042   -1.6750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9167   -2.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7125   -3.1792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9250   -2.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2167   -2.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4375   -1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9917   -0.4292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2167    0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6292   -3.3292    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.2042   -4.1625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4000    0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6250   -0.8792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6250    0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2042    1.7083    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.6417   -1.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6292   -0.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4417    0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4417   -0.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8542    0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  2  0  0  0  0
  5  1  1  0  0  0  0
  6  8  1  0  0  0  0
  7  2  1  0  0  0  0
  8  5  2  0  0  0  0
  9  4  1  0  0  0  0
 10  4  1  0  0  0  0
 11 10  1  0  0  0  0
 12 15  1  0  0  0  0
 13  6  1  0  0  0  0
 14  3  1  0  0  0  0
 15 11  1  0  0  0  0
 16 10  2  0  0  0  0
 17 12  1  0  0  0  0
 18 17  1  0  0  0  0
 19  8  1  0  0  0  0
 20 12  2  0  0  0  0
 21 17  2  0  0  0  0
 22 20  1  0  0  0  0
 23 22  2  0  0  0  0
  9  7  2  0  0  0  0
  3  6  2  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (4,022)
4022

>  <Formula> (4,022)
C15H12Cl2N4O2

>  <MolWeight> (4,022)
351.18738

>  <COMPOUND_NAME> (4,022)
WAY-335430

>  <BAR_CODE_NO> (4,022)
310431

$$$$
WAY-335431
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    5.4917   -2.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5000   -2.9250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2042   -3.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7042   -1.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2042   -1.6750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9167   -2.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7125   -3.1792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9250   -2.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2167   -2.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4375   -1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6292   -3.3292    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.2042   -4.1625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6250   -0.8792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9917   -0.4292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6417   -1.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4000    0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6292    0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2167    0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4500    0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2167    1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6167    2.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8542    1.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4417    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  2  0  0  0  0
  5  1  1  0  0  0  0
  6  8  1  0  0  0  0
  7  2  1  0  0  0  0
  8  5  2  0  0  0  0
  9  4  1  0  0  0  0
 10  4  1  0  0  0  0
 11  6  1  0  0  0  0
 12  3  1  0  0  0  0
 13 10  2  0  0  0  0
 14 10  1  0  0  0  0
 15  8  1  0  0  0  0
 16 14  1  0  0  0  0
 17 18  1  0  0  0  0
 18 16  1  0  0  0  0
 19 17  2  0  0  0  0
 20 17  1  0  0  0  0
 21 20  2  0  0  0  0
 22 19  1  0  0  0  0
 23 21  1  0  0  0  0
  9  7  2  0  0  0  0
  3  6  2  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (4,023)
4023

>  <Formula> (4,023)
C16H15ClN4O2

>  <MolWeight> (4,023)
330.7689

>  <COMPOUND_NAME> (4,023)
WAY-335431

>  <BAR_CODE_NO> (4,023)
310432

$$$$
WAY-335435
csChFnd80/06171916322D

 35 39  0  0  0  0  0  0  0  0999 V2000
    4.7792   -5.8667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4875   -6.2750    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.3167   -7.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5042   -7.1667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1750   -6.4292    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.1875   -5.8667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.3625   -6.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4542   -5.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9042   -6.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1875   -5.0417    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.7792   -5.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1042   -5.4792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4875   -4.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6292   -5.8667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8792   -7.6792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2917   -5.3167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.8167   -6.8792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9042   -7.1042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3167   -5.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7792   -7.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0667   -5.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7792   -8.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0292   -4.5250    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.0667   -8.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7417   -5.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5042   -5.6042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9042   -4.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2375   -4.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7500   -5.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6667   -4.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5750   -3.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167   -4.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2750   -5.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292   -5.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6667   -4.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  5  1  0  0  0  0
  8  1  1  0  0  0  0
  9  6  1  0  0  0  0
 10  8  1  0  0  0  0
 11  1  1  0  0  0  0
 12  7  1  0  0  0  0
 13 11  2  0  0  0  0
 14  9  1  0  0  0  0
 15  3  2  0  0  0  0
 16 12  1  0  0  0  0
 17  7  2  0  0  0  0
 18  9  2  0  0  0  0
 19 14  1  0  0  0  0
 20  4  1  0  0  0  0
 21 19  2  0  0  0  0
 22 20  1  0  0  0  0
 23 16  1  0  0  0  0
 24 22  2  0  0  0  0
 25 21  1  0  0  0  0
 26 25  1  0  0  0  0
 27 28  2  0  0  0  0
 28 19  1  0  0  0  0
 29 16  1  0  0  0  0
 30 27  1  0  0  0  0
 31 23  1  0  0  0  0
 32 23  1  0  0  0  0
 33 26  1  0  0  0  0
 34 29  1  0  0  0  0
 35 34  1  0  0  0  0
 13 10  1  0  0  0  0
 10  6  1  0  0  0  0
  3  4  1  0  0  0  0
 32 35  1  0  0  0  0
 25 30  2  0  0  0  0
M  END
>  <Mol_ID> (4,024)
4024

>  <Formula> (4,024)
C27H33N3O5

>  <MolWeight> (4,024)
479.56802

>  <COMPOUND_NAME> (4,024)
WAY-335435

>  <BAR_CODE_NO> (4,024)
310436

$$$$
WAY-335437
csChFnd80/06171916322D

 24 25  0  0  0  0  0  0  0  0999 V2000
    5.4375   -1.8792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.7167   -2.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3167   -1.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2167   -1.0792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4375   -2.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1542   -2.2917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0375   -2.2875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6000   -2.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3125   -1.0417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7167   -3.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9917   -1.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8792   -1.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2750   -3.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7500   -2.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8750   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4542   -2.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9917   -3.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2750   -2.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5500   -3.5542    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   12.5875   -1.0375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.1542   -1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8792   -2.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4542   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1750   -2.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  8  1  0  0  0  0
  4  1  2  0  0  0  0
  5  1  2  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8 12  1  0  0  0  0
  9  3  2  0  0  0  0
 10  2  1  0  0  0  0
 11  2  2  0  0  0  0
 12  6  1  0  0  0  0
 13 18  2  0  0  0  0
 14  7  1  0  0  0  0
 15 22  2  0  0  0  0
 16 14  1  0  0  0  0
 17 10  2  0  0  0  0
 18 11  1  0  0  0  0
 19 13  1  0  0  0  0
 20 15  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 16  1  0  0  0  0
 24 16  2  0  0  0  0
 13 17  1  0  0  0  0
 21 15  1  0  0  0  0
M  END
>  <Mol_ID> (4,025)
4025

>  <Formula> (4,025)
C16H16BrClN2O3S

>  <MolWeight> (4,025)
431.73184

>  <COMPOUND_NAME> (4,025)
WAY-335437

>  <BAR_CODE_NO> (4,025)
310438

$$$$
WAY-335446
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -1.1916   -0.7703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5433   -0.3979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1916   -1.5151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8364   -0.3979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0912   -0.7703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5433    0.3470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5433   -1.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8364   -1.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4778   -0.7703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0912   -1.5151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0912    0.7159    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1916    0.7159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4778   -1.5151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7394   -1.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0912    1.4573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3843   -1.5151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7394   -2.6323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7394    1.8297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0256   -1.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3843   -3.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7394    2.5746    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0256   -2.6323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0912    2.9470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3843    2.9470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0912    3.6918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3843    3.6918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7394    4.0642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
  8 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  2  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
  7 10  2  0  0  0  0
  9 13  2  0  0  0  0
 20 22  2  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (4,026)
4026

>  <Formula> (4,026)
C22H23N3O2

>  <MolWeight> (4,026)
361.43692

>  <COMPOUND_NAME> (4,026)
WAY-335446

>  <BAR_CODE_NO> (4,026)
310447

$$$$
WAY-335492
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
    5.4792   -2.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7667   -2.1542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4792   -3.4000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.7667   -3.8167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0500   -3.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0500   -2.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1917   -3.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2000   -2.1625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3250   -3.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7667   -1.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9042   -3.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7667   -4.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9000   -2.5667    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.1917   -4.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6167   -3.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5542   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0792   -1.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0500   -5.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4792   -5.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9042   -5.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6167   -4.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9000   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8167   -0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3667    0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4917    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  1  2  0  0  0  0
  9  5  2  0  0  0  0
 10  2  1  0  0  0  0
 11  7  1  0  0  0  0
 12  4  1  0  0  0  0
 13 11  1  0  0  0  0
 14  7  2  0  0  0  0
 15 11  2  0  0  0  0
 16 10  1  0  0  0  0
 17 10  1  0  0  0  0
 18 12  1  0  0  0  0
 19 12  1  0  0  0  0
 20 14  1  0  0  0  0
 21 20  2  0  0  0  0
 22 17  1  0  0  0  0
 23 16  1  0  0  0  0
 24 23  1  0  0  0  0
 25 22  1  0  0  0  0
  5  6  1  0  0  0  0
 21 15  1  0  0  0  0
 25 24  1  0  0  0  0
M  END
>  <Mol_ID> (4,027)
4027

>  <Formula> (4,027)
C20H27FN2O2

>  <MolWeight> (4,027)
346.4389832

>  <COMPOUND_NAME> (4,027)
WAY-335492

>  <BAR_CODE_NO> (4,027)
310493

$$$$
WAY-335589
csChFnd80/06171916322D

 29 31  0  0  0  0  0  0  0  0999 V2000
    1.6792   -0.8917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5417   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8250   -1.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667   -0.4792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3917   -1.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5375   -2.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2625   -2.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8167   -2.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2625   -1.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1042   -0.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5417   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0917   -0.1792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667   -1.6042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667    0.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542   -0.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3917   -2.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1042   -2.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9750   -2.5542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8292    0.3583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2542    0.3583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583   -0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2625    0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9667   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583    0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6792    0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3917   -0.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708    0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1042    0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4000   -0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3 10  2  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  8  1  0  0  0  0
  7  6  1  0  0  0  0
  8 17  2  0  0  0  0
  9  2  2  0  0  0  0
 10  5  1  0  0  0  0
 11  2  1  0  0  0  0
 12  1  2  0  0  0  0
 13  1  2  0  0  0  0
 14  4  1  0  0  0  0
 15  4  1  0  0  0  0
 16  5  2  0  0  0  0
 17 16  1  0  0  0  0
 18  7  2  0  0  0  0
 19 11  2  0  0  0  0
 20 11  1  0  0  0  0
 21 15  1  0  0  0  0
 22 14  1  0  0  0  0
 23 20  1  0  0  0  0
 24 21  1  0  0  0  0
 25 23  1  0  0  0  0
 26 25  1  0  0  0  0
 27 24  1  0  0  0  0
 28 26  1  0  0  0  0
 29 26  1  0  0  0  0
  8  3  1  0  0  0  0
 24 22  1  0  0  0  0
  9  7  1  0  0  0  0
M  END
>  <Mol_ID> (4,028)
4028

>  <Formula> (4,028)
C21H29N3O4S

>  <MolWeight> (4,028)
419.53766

>  <COMPOUND_NAME> (4,028)
WAY-335589

>  <BAR_CODE_NO> (4,028)
310590

$$$$
WAY-335590
csChFnd80/06171916322D

 32 35  0  0  0  0  0  0  0  0999 V2000
    1.6792   -0.8917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5417   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8250   -1.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667   -0.4792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3917   -1.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5375   -2.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2625   -2.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8167   -2.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2625   -1.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5417   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1042   -0.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2542    0.3583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0917   -0.1792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667   -1.6042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6750    0.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9667   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667    0.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542   -0.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3917   -2.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1042   -2.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9750   -2.5542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8292    0.3583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3875   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4000   -0.8542    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583   -0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2625    0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583    0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6542    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0917    0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708    0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3542    1.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0792    1.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3 11  2  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  8  1  0  0  0  0
  7  6  1  0  0  0  0
  8 20  2  0  0  0  0
  9  2  2  0  0  0  0
 10  2  1  0  0  0  0
 11  5  1  0  0  0  0
 12 10  1  0  0  0  0
 13  1  2  0  0  0  0
 14  1  2  0  0  0  0
 15 16  1  0  0  0  0
 16 12  1  0  0  0  0
 17  4  1  0  0  0  0
 18  4  1  0  0  0  0
 19  5  2  0  0  0  0
 20 19  1  0  0  0  0
 21  7  2  0  0  0  0
 22 10  2  0  0  0  0
 23 15  2  0  0  0  0
 24 23  1  0  0  0  0
 25 18  1  0  0  0  0
 26 17  1  0  0  0  0
 27 25  1  0  0  0  0
 28 15  1  0  0  0  0
 29 23  1  0  0  0  0
 30 27  1  0  0  0  0
 31 28  2  0  0  0  0
 32 31  1  0  0  0  0
  8  3  1  0  0  0  0
 27 26  1  0  0  0  0
  9  7  1  0  0  0  0
 32 29  2  0  0  0  0
M  END
>  <Mol_ID> (4,029)
4029

>  <Formula> (4,029)
C23H24ClN3O4S

>  <MolWeight> (4,029)
473.97236

>  <COMPOUND_NAME> (4,029)
WAY-335590

>  <BAR_CODE_NO> (4,029)
310591

$$$$
WAY-335604
csChFnd80/06171916322D

 32 35  0  0  0  0  0  0  0  0999 V2000
    3.8917   -2.7792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.8292   -2.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1417   -2.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0042   -2.7792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7875   -2.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8250   -3.9667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5167   -3.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1417   -3.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5167   -2.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4667   -2.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8292   -1.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8917   -1.8917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8917   -3.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5625   -2.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5625   -3.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7875   -3.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4667   -3.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1917   -3.9667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1625   -1.1792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4667   -1.1375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6792   -2.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6667   -3.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4792   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2250   -2.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1500    0.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1500    0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8125    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4875    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3375   -2.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4792    1.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8125    1.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1500    2.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3 10  2  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  8  1  0  0  0  0
  7  6  1  0  0  0  0
  8 17  2  0  0  0  0
  9  2  2  0  0  0  0
 10  5  1  0  0  0  0
 11  2  1  0  0  0  0
 12  1  2  0  0  0  0
 13  1  2  0  0  0  0
 14  4  1  0  0  0  0
 15  4  1  0  0  0  0
 16  5  2  0  0  0  0
 17 16  1  0  0  0  0
 18  7  2  0  0  0  0
 19 11  2  0  0  0  0
 20 11  1  0  0  0  0
 21 14  1  0  0  0  0
 22 15  1  0  0  0  0
 23 20  1  0  0  0  0
 24 22  1  0  0  0  0
 25 26  1  0  0  0  0
 26 23  1  0  0  0  0
 27 25  2  0  0  0  0
 28 25  1  0  0  0  0
 29 24  1  0  0  0  0
 30 28  2  0  0  0  0
 31 27  1  0  0  0  0
 32 30  1  0  0  0  0
  8  3  1  0  0  0  0
 24 21  1  0  0  0  0
  9  7  1  0  0  0  0
 32 31  2  0  0  0  0
M  END
>  <Mol_ID> (4,030)
4030

>  <Formula> (4,030)
C24H27N3O4S

>  <MolWeight> (4,030)
453.55388

>  <COMPOUND_NAME> (4,030)
WAY-335604

>  <BAR_CODE_NO> (4,030)
310605

$$$$
WAY-335673
csChFnd80/06171916322D

 29 31  0  0  0  0  0  0  0  0999 V2000
    1.1125   -1.9417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5292   -2.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3917   -1.5292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0417   -2.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0417   -3.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3542   -2.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2542   -2.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8292   -2.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2542   -3.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5417   -1.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6417   -4.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6917   -2.6542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5167   -1.2250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208   -1.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3917   -0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7667   -3.4792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8167   -4.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7667   -2.0500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8292   -3.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5417   -3.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0375   -1.5250    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.3208   -0.2875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.0375   -0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000   -4.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2917   -1.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5875   -3.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3542   -4.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7583   -1.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208    0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  2  0  0  0  0
  3  1  1  0  0  0  0
  4  7  1  0  0  0  0
  5  9  1  0  0  0  0
  6  2  1  0  0  0  0
  7 10  2  0  0  0  0
  8  1  1  0  0  0  0
  9 20  2  0  0  0  0
 10  8  1  0  0  0  0
 11 17  3  0  0  0  0
 12  1  2  0  0  0  0
 13  1  2  0  0  0  0
 14  3  1  0  0  0  0
 15  3  1  0  0  0  0
 16  6  1  0  0  0  0
 17 24  1  0  0  0  0
 18  6  2  0  0  0  0
 19  8  2  0  0  0  0
 20 19  1  0  0  0  0
 21 14  1  0  0  0  0
 22 15  1  0  0  0  0
 23 22  1  0  0  0  0
 24 26  1  0  0  0  0
 25  4  1  0  0  0  0
 26 16  1  0  0  0  0
 27 16  1  0  0  0  0
 28 21  1  0  0  0  0
 29 22  1  0  0  0  0
  7  9  1  0  0  0  0
 21 23  1  0  0  0  0
  5  2  1  0  0  0  0
M  END
>  <Mol_ID> (4,031)
4031

>  <Formula> (4,031)
C21H27N3O4S

>  <MolWeight> (4,031)
417.52178

>  <COMPOUND_NAME> (4,031)
WAY-335673

>  <BAR_CODE_NO> (4,031)
310674

$$$$
WAY-335715
csChFnd80/06171916322D

 32 35  0  0  0  0  0  0  0  0999 V2000
   -0.1833   -2.7042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.6792   -2.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8958   -2.2917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9667   -3.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5375   -3.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6792   -4.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4042   -3.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9625   -3.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4042   -3.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6792   -1.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2500   -2.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292   -1.9875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5958   -3.4167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4000   -1.4542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8958   -1.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8167   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1125   -1.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5375   -3.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2500   -4.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1167   -4.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9667   -1.4542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5292   -1.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6125   -2.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5292   -2.6917    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.6083   -1.0500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.3333   -2.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8167   -0.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2417   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3333   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6083   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5167   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2417   -0.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  1  0  0  0  0
  4 11  2  0  0  0  0
  5  1  1  0  0  0  0
  6  8  1  0  0  0  0
  7  6  1  0  0  0  0
  8 19  2  0  0  0  0
  9  2  2  0  0  0  0
 10  2  1  0  0  0  0
 11  5  1  0  0  0  0
 12  1  2  0  0  0  0
 13  1  2  0  0  0  0
 14 10  1  0  0  0  0
 15  3  1  0  0  0  0
 16 17  1  0  0  0  0
 17 14  1  0  0  0  0
 18  5  2  0  0  0  0
 19 18  1  0  0  0  0
 20  7  2  0  0  0  0
 21 10  2  0  0  0  0
 22 16  2  0  0  0  0
 23  3  1  0  0  0  0
 24 22  1  0  0  0  0
 25 15  1  0  0  0  0
 26 23  1  0  0  0  0
 27 16  1  0  0  0  0
 28 22  1  0  0  0  0
 29 26  1  0  0  0  0
 30 25  1  0  0  0  0
 31 27  2  0  0  0  0
 32 31  1  0  0  0  0
  8  4  1  0  0  0  0
 29 25  1  0  0  0  0
  9  7  1  0  0  0  0
 32 28  2  0  0  0  0
M  END
>  <Mol_ID> (4,032)
4032

>  <Formula> (4,032)
C23H24ClN3O4S

>  <MolWeight> (4,032)
473.97236

>  <COMPOUND_NAME> (4,032)
WAY-335715

>  <BAR_CODE_NO> (4,032)
310716

$$$$
WAY-335716
csChFnd80/06171916322D

 28 30  0  0  0  0  0  0  0  0999 V2000
    0.8875   -2.2917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -2.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667   -1.8792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0292   -2.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042   -2.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7417   -3.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4667   -3.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0292   -3.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4667   -2.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167   -2.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917   -1.5750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667   -3.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667   -1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042   -3.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167   -3.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1792   -3.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0375   -1.0417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4667   -1.0417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458   -2.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458   -0.6375    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.2625   -1.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1792   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2625   -1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458    0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8875   -1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6000   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3042   -1.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  1  0  0  0  0
  4 10  2  0  0  0  0
  5  1  1  0  0  0  0
  6  8  1  0  0  0  0
  7  6  1  0  0  0  0
  8 16  2  0  0  0  0
  9  2  2  0  0  0  0
 10  5  1  0  0  0  0
 11  2  1  0  0  0  0
 12  1  2  0  0  0  0
 13  1  2  0  0  0  0
 14  3  1  0  0  0  0
 15  5  2  0  0  0  0
 16 15  1  0  0  0  0
 17  7  2  0  0  0  0
 18 11  2  0  0  0  0
 19 11  1  0  0  0  0
 20  3  1  0  0  0  0
 21 14  1  0  0  0  0
 22 20  1  0  0  0  0
 23 19  1  0  0  0  0
 24 22  1  0  0  0  0
 25 21  1  0  0  0  0
 26 23  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
  8  4  1  0  0  0  0
 24 21  1  0  0  0  0
  9  7  1  0  0  0  0
M  END
>  <Mol_ID> (4,033)
4033

>  <Formula> (4,033)
C20H27N3O4S

>  <MolWeight> (4,033)
405.51108

>  <COMPOUND_NAME> (4,033)
WAY-335716

>  <BAR_CODE_NO> (4,033)
310717

$$$$
WAY-335717
csChFnd80/06171916322D

 32 35  0  0  0  0  0  0  0  0999 V2000
    0.8875   -2.2917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -2.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667   -1.8792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0292   -2.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042   -2.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7417   -3.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4667   -3.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0292   -3.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4667   -2.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167   -2.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917   -1.5750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667   -3.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667   -1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042   -3.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167   -3.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1792   -3.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0375   -1.0417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4667   -1.0417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458   -2.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458   -0.6375    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1792   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6000   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2625   -1.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8875   -1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2625   -1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5917   -2.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3042   -1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458    0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0167   -1.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3042   -2.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0167   -2.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  1  0  0  0  0
  4 10  2  0  0  0  0
  5  1  1  0  0  0  0
  6  8  1  0  0  0  0
  7  6  1  0  0  0  0
  8 16  2  0  0  0  0
  9  2  2  0  0  0  0
 10  5  1  0  0  0  0
 11  2  1  0  0  0  0
 12  1  2  0  0  0  0
 13  1  2  0  0  0  0
 14  3  1  0  0  0  0
 15  5  2  0  0  0  0
 16 15  1  0  0  0  0
 17  7  2  0  0  0  0
 18 11  2  0  0  0  0
 19 11  1  0  0  0  0
 20  3  1  0  0  0  0
 21 14  1  0  0  0  0
 22 19  1  0  0  0  0
 23 25  1  0  0  0  0
 24 20  1  0  0  0  0
 25 22  1  0  0  0  0
 26 24  1  0  0  0  0
 27 23  2  0  0  0  0
 28 23  1  0  0  0  0
 29 21  1  0  0  0  0
 30 28  2  0  0  0  0
 31 27  1  0  0  0  0
 32 30  1  0  0  0  0
  8  4  1  0  0  0  0
 26 21  1  0  0  0  0
  9  7  1  0  0  0  0
 32 31  2  0  0  0  0
M  END
>  <Mol_ID> (4,034)
4034

>  <Formula> (4,034)
C24H27N3O4S

>  <MolWeight> (4,034)
453.55388

>  <COMPOUND_NAME> (4,034)
WAY-335717

>  <BAR_CODE_NO> (4,034)
310718

$$$$
WAY-335718
csChFnd80/06171916322D

 32 35  0  0  0  0  0  0  0  0999 V2000
    0.8875   -2.2917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -2.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667   -1.8792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0292   -2.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042   -2.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7417   -3.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4667   -3.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0292   -3.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4667   -2.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167   -2.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917   -1.5750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667   -3.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4667   -1.0417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667   -1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042   -3.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167   -3.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1792   -3.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0375   -1.0417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1792   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458   -2.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8792   -1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3042   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6000   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8792   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5875    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3042   -1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458   -0.6375    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.2625   -1.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2625   -1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0167    0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458    0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  1  0  0  0  0
  4 11  2  0  0  0  0
  5  1  1  0  0  0  0
  6  8  1  0  0  0  0
  7  6  1  0  0  0  0
  8 17  2  0  0  0  0
  9  2  2  0  0  0  0
 10  2  1  0  0  0  0
 11  5  1  0  0  0  0
 12  1  2  0  0  0  0
 13  1  2  0  0  0  0
 14 10  1  0  0  0  0
 15  3  1  0  0  0  0
 16  5  2  0  0  0  0
 17 16  1  0  0  0  0
 18  7  2  0  0  0  0
 19 10  2  0  0  0  0
 20 14  1  0  0  0  0
 21  3  1  0  0  0  0
 22 20  1  0  0  0  0
 23 26  1  0  0  0  0
 24 22  2  0  0  0  0
 25 22  1  0  0  0  0
 26 25  2  0  0  0  0
 27 24  1  0  0  0  0
 28 15  1  0  0  0  0
 29 21  1  0  0  0  0
 30 29  1  0  0  0  0
 31 23  1  0  0  0  0
 32 28  1  0  0  0  0
  8  4  1  0  0  0  0
 30 28  1  0  0  0  0
  9  7  1  0  0  0  0
 23 27  2  0  0  0  0
M  END
>  <Mol_ID> (4,035)
4035

>  <Formula> (4,035)
C24H27N3O4S

>  <MolWeight> (4,035)
453.55388

>  <COMPOUND_NAME> (4,035)
WAY-335718

>  <BAR_CODE_NO> (4,035)
310719

$$$$
WAY-335720
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
    0.8875   -2.2917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -2.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667   -1.8792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0292   -2.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042   -2.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7417   -3.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4667   -3.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0292   -3.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4667   -2.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167   -2.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917   -1.5750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667   -3.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4667   -1.0417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667   -1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042   -3.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167   -3.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1792   -3.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0375   -1.0417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1792   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458   -2.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458   -0.6375    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.8792   -1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2625   -1.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2625   -1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6000   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8792   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458    0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5875    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3042   -1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3042   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  1  0  0  0  0
  4 11  2  0  0  0  0
  5  1  1  0  0  0  0
  6  8  1  0  0  0  0
  7  6  1  0  0  0  0
  8 17  2  0  0  0  0
  9  2  2  0  0  0  0
 10  2  1  0  0  0  0
 11  5  1  0  0  0  0
 12  1  2  0  0  0  0
 13  1  2  0  0  0  0
 14 10  1  0  0  0  0
 15  3  1  0  0  0  0
 16  5  2  0  0  0  0
 17 16  1  0  0  0  0
 18  7  2  0  0  0  0
 19 10  2  0  0  0  0
 20 14  1  0  0  0  0
 21  3  1  0  0  0  0
 22 15  1  0  0  0  0
 23 20  1  0  0  0  0
 24 21  1  0  0  0  0
 25 24  1  0  0  0  0
 26 23  2  0  0  0  0
 27 23  1  0  0  0  0
 28 22  1  0  0  0  0
 29 27  2  0  0  0  0
 30 26  1  0  0  0  0
 31 29  1  0  0  0  0
  8  4  1  0  0  0  0
 25 22  1  0  0  0  0
  9  7  1  0  0  0  0
 31 30  2  0  0  0  0
M  END
>  <Mol_ID> (4,036)
4036

>  <Formula> (4,036)
C23H25N3O4S

>  <MolWeight> (4,036)
439.5273

>  <COMPOUND_NAME> (4,036)
WAY-335720

>  <BAR_CODE_NO> (4,036)
310721

$$$$
WAY-335721
csChFnd80/06171916322D

 29 31  0  0  0  0  0  0  0  0999 V2000
   -0.3458    0.6958    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5167    0.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0583    1.1083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042    0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750    0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5167   -0.9625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2417   -0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8000   -0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2417    0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0875    0.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5167    1.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583   -0.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667    1.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0583    1.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750   -0.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0875   -0.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9542   -0.9625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042    1.9458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2375    1.9458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833    0.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7708    2.3500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.9500    1.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4958    1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4958    1.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6625    1.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3750    1.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7708    3.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0875    1.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3750    0.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  1  0  0  0  0
  4 10  2  0  0  0  0
  5  1  1  0  0  0  0
  6  8  1  0  0  0  0
  7  6  1  0  0  0  0
  8 16  2  0  0  0  0
  9  2  2  0  0  0  0
 10  5  1  0  0  0  0
 11  2  1  0  0  0  0
 12  1  2  0  0  0  0
 13  1  2  0  0  0  0
 14  3  1  0  0  0  0
 15  5  2  0  0  0  0
 16 15  1  0  0  0  0
 17  7  2  0  0  0  0
 18 11  2  0  0  0  0
 19 11  1  0  0  0  0
 20  3  1  0  0  0  0
 21 14  1  0  0  0  0
 22 19  1  0  0  0  0
 23 20  1  0  0  0  0
 24 23  1  0  0  0  0
 25 22  1  0  0  0  0
 26 25  1  0  0  0  0
 27 21  1  0  0  0  0
 28 26  1  0  0  0  0
 29 26  1  0  0  0  0
  4  8  1  0  0  0  0
 21 24  1  0  0  0  0
  7  9  1  0  0  0  0
M  END
>  <Mol_ID> (4,037)
4037

>  <Formula> (4,037)
C21H29N3O4S

>  <MolWeight> (4,037)
419.53766

>  <COMPOUND_NAME> (4,037)
WAY-335721

>  <BAR_CODE_NO> (4,037)
310722

$$$$
WAY-335773
csChFnd80/06171916322D

 33 36  0  0  0  0  0  0  0  0999 V2000
    3.7417   -5.2667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.6042   -5.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8917   -5.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4625   -5.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0292   -4.8542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6042   -6.9250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3167   -6.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8875   -6.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3167   -5.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6042   -4.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1750   -5.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7417   -4.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3167   -4.0250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3292   -5.9792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1542   -4.5542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0292   -4.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4542   -4.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7250   -3.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4625   -6.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1750   -6.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0292   -6.9250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8917   -4.0250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1625   -4.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4292   -2.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1542   -3.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4667   -5.2417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667   -5.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9375   -4.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4167   -1.9542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1792   -5.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6917   -1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7167   -4.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292   -3.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3 11  2  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  8  1  0  0  0  0
  7  6  1  0  0  0  0
  8 20  2  0  0  0  0
  9  2  2  0  0  0  0
 10  2  1  0  0  0  0
 11  4  1  0  0  0  0
 12 16  1  0  0  0  0
 13 10  1  0  0  0  0
 14  1  2  0  0  0  0
 15  1  2  0  0  0  0
 16 13  1  0  0  0  0
 17 12  2  0  0  0  0
 18 12  1  0  0  0  0
 19  4  2  0  0  0  0
 20 19  1  0  0  0  0
 21  7  2  0  0  0  0
 22 10  2  0  0  0  0
 23 17  1  0  0  0  0
 24 18  2  0  0  0  0
 25 24  1  0  0  0  0
 26 17  1  0  0  0  0
 27  5  1  0  0  0  0
 28  5  1  0  0  0  0
 29 24  1  0  0  0  0
 30 26  1  0  0  0  0
 31 29  1  0  0  0  0
 32 27  1  0  0  0  0
 33 28  1  0  0  0  0
 32 33  1  0  0  0  0
  8  3  1  0  0  0  0
  9  7  1  0  0  0  0
 25 23  2  0  0  0  0
M  END
>  <Mol_ID> (4,038)
4038

>  <Formula> (4,038)
C23H25N3O6S

>  <MolWeight> (4,038)
471.5261

>  <COMPOUND_NAME> (4,038)
WAY-335773

>  <BAR_CODE_NO> (4,038)
310774

$$$$
WAY-335778
csChFnd80/06171916322D

 32 35  0  0  0  0  0  0  0  0999 V2000
    4.5542   -7.0750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.4167   -7.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7042   -7.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2750   -7.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8417   -6.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4167   -8.7292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1292   -8.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7000   -8.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1292   -7.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4167   -6.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9875   -7.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9667   -6.3542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1417   -7.7875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1292   -5.8292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2750   -8.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9875   -8.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8417   -8.7292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7042   -5.8292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1292   -5.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8375   -4.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2417   -3.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5500   -4.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8167   -3.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1250   -7.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8417   -5.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5167   -3.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2542   -4.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9500   -3.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4042   -6.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1292   -5.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9500   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4042   -5.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3 11  2  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  8  1  0  0  0  0
  7  6  1  0  0  0  0
  8 16  2  0  0  0  0
  9  2  2  0  0  0  0
 10  2  1  0  0  0  0
 11  4  1  0  0  0  0
 12  1  2  0  0  0  0
 13  1  2  0  0  0  0
 14 10  1  0  0  0  0
 15  4  2  0  0  0  0
 16 15  1  0  0  0  0
 17  7  2  0  0  0  0
 18 10  2  0  0  0  0
 19 14  1  0  0  0  0
 20 19  1  0  0  0  0
 21 26  1  0  0  0  0
 22 20  2  0  0  0  0
 23 20  1  0  0  0  0
 24  5  1  0  0  0  0
 25  5  1  0  0  0  0
 26 23  2  0  0  0  0
 27 22  1  0  0  0  0
 28 21  1  0  0  0  0
 29 24  1  0  0  0  0
 30 25  1  0  0  0  0
 31 28  1  0  0  0  0
 32 30  1  0  0  0  0
 29 32  1  0  0  0  0
  3  8  1  0  0  0  0
  7  9  1  0  0  0  0
 27 21  2  0  0  0  0
M  END
>  <Mol_ID> (4,039)
4039

>  <Formula> (4,039)
C24H27N3O4S

>  <MolWeight> (4,039)
453.55388

>  <COMPOUND_NAME> (4,039)
WAY-335778

>  <BAR_CODE_NO> (4,039)
310779

$$$$
WAY-335779
csChFnd80/06171916322D

 32 35  0  0  0  0  0  0  0  0999 V2000
    4.8917   -4.6042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.7542   -4.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0417   -5.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6125   -5.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1792   -4.1917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7542   -6.2625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4667   -5.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0375   -5.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4667   -5.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7542   -3.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3250   -4.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1542   -1.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4667   -3.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3042   -3.8917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4792   -5.3167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1750   -2.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8542   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4667   -2.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6125   -5.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3250   -6.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1792   -6.2625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0417   -3.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8875   -2.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5792   -1.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4417   -0.8917    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.5917   -2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2917   -0.8625    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.4625   -4.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1792   -3.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4667   -2.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7417   -4.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7417   -3.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3 11  2  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  8  1  0  0  0  0
  7  6  1  0  0  0  0
  8 20  2  0  0  0  0
  9  2  2  0  0  0  0
 10  2  1  0  0  0  0
 11  4  1  0  0  0  0
 12 16  1  0  0  0  0
 13 10  1  0  0  0  0
 14  1  2  0  0  0  0
 15  1  2  0  0  0  0
 16 18  1  0  0  0  0
 17 12  2  0  0  0  0
 18 13  1  0  0  0  0
 19  4  2  0  0  0  0
 20 19  1  0  0  0  0
 21  7  2  0  0  0  0
 22 10  2  0  0  0  0
 23 16  2  0  0  0  0
 24 26  2  0  0  0  0
 25 12  1  0  0  0  0
 26 23  1  0  0  0  0
 27 24  1  0  0  0  0
 28  5  1  0  0  0  0
 29  5  1  0  0  0  0
 30 29  1  0  0  0  0
 31 28  1  0  0  0  0
 32 30  1  0  0  0  0
 31 32  1  0  0  0  0
  3  8  1  0  0  0  0
  7  9  1  0  0  0  0
 17 24  1  0  0  0  0
M  END
>  <Mol_ID> (4,040)
4040

>  <Formula> (4,040)
C22H21ClFN3O4S

>  <MolWeight> (4,040)
477.9362432

>  <COMPOUND_NAME> (4,040)
WAY-335779

>  <BAR_CODE_NO> (4,040)
310780

$$$$
WAY-335780
csChFnd80/06171916322D

 33 36  0  0  0  0  0  0  0  0999 V2000
    4.8917   -4.6250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.7542   -4.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0417   -5.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6125   -5.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1792   -4.2125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7542   -6.2792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4667   -5.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0375   -5.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4667   -5.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7542   -3.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3250   -4.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3042   -3.9042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4792   -5.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4667   -3.3792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6125   -5.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3250   -6.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1792   -6.2792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0417   -3.3792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4667   -2.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1750   -2.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5792   -1.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8875   -2.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1542   -1.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8542   -0.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5917   -2.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4625   -4.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1792   -3.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2792   -0.8750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2667   -0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4667   -2.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7417   -4.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9792    0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7417   -3.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3 11  2  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  8  1  0  0  0  0
  7  6  1  0  0  0  0
  8 16  2  0  0  0  0
  9  2  2  0  0  0  0
 10  2  1  0  0  0  0
 11  4  1  0  0  0  0
 12  1  2  0  0  0  0
 13  1  2  0  0  0  0
 14 10  1  0  0  0  0
 15  4  2  0  0  0  0
 16 15  1  0  0  0  0
 17  7  2  0  0  0  0
 18 10  2  0  0  0  0
 19 14  1  0  0  0  0
 20 19  1  0  0  0  0
 21 24  1  0  0  0  0
 22 20  2  0  0  0  0
 23 20  1  0  0  0  0
 24 23  2  0  0  0  0
 25 22  1  0  0  0  0
 26  5  1  0  0  0  0
 27  5  1  0  0  0  0
 28 21  1  0  0  0  0
 29 28  1  0  0  0  0
 30 27  1  0  0  0  0
 31 26  1  0  0  0  0
 32 29  1  0  0  0  0
 33 30  1  0  0  0  0
 31 33  1  0  0  0  0
  3  8  1  0  0  0  0
  7  9  1  0  0  0  0
 25 21  2  0  0  0  0
M  END
>  <Mol_ID> (4,041)
4041

>  <Formula> (4,041)
C24H27N3O5S

>  <MolWeight> (4,041)
469.55328

>  <COMPOUND_NAME> (4,041)
WAY-335780

>  <BAR_CODE_NO> (4,041)
310781

$$$$
WAY-335891
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
    2.9792   -0.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -0.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1292   -1.3792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8042   -1.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5167   -1.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8125   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8042   -3.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5250   -2.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0917   -1.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5250   -4.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4292   -0.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0917   -2.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0917   -4.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2375   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500   -4.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3667   -5.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9417   -5.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6542   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3667   -4.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6542   -5.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0792   -5.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042   -0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6042    0.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7917   -5.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2750    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8875    1.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  7  1  0  0  0  0
  7 12  1  0  0  0  0
  8  5  1  0  0  0  0
  9  4  1  0  0  0  0
 10  6  1  0  0  0  0
 11  1  1  0  0  0  0
 12  9  2  0  0  0  0
 13  6  2  0  0  0  0
 14 10  1  0  0  0  0
 15 14  1  0  0  0  0
 16 19  1  0  0  0  0
 17 15  2  0  0  0  0
 18 15  1  0  0  0  0
 19 18  2  0  0  0  0
 20 17  1  0  0  0  0
 21 16  1  0  0  0  0
 22 11  1  0  0  0  0
 23 11  1  0  0  0  0
 24 21  1  0  0  0  0
 25 22  1  0  0  0  0
 26 23  1  0  0  0  0
  3  5  1  0  0  0  0
 25 26  1  0  0  0  0
  7  8  2  0  0  0  0
 16 20  2  0  0  0  0
M  END
>  <Mol_ID> (4,042)
4042

>  <Formula> (4,042)
C21H23N3O2

>  <MolWeight> (4,042)
349.42622

>  <COMPOUND_NAME> (4,042)
WAY-335891

>  <BAR_CODE_NO> (4,042)
310892

$$$$
WAY-335896
csChFnd80/06171916322D

 34 37  0  0  0  0  0  0  0  0999 V2000
    1.2042   -1.7667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917   -1.3542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0667   -1.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3542   -2.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9250   -2.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0667   -3.4292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7917   -3.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3500   -3.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7917   -2.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6375   -1.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0667   -0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6167   -1.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917   -2.4792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2250   -1.7667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.9250   -3.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6375   -3.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5042   -3.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3542   -0.5250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7875   -0.5250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9167   -0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3375   -1.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6292   -2.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3292   -0.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9167   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6167   -0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5000   -0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2250   -2.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2042   -0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458   -1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0542   -2.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9375   -3.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458   -0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4 10  2  0  0  0  0
  5  1  1  0  0  0  0
  6  8  1  0  0  0  0
  7  6  1  0  0  0  0
  8 16  2  0  0  0  0
  9  3  2  0  0  0  0
 10  5  1  0  0  0  0
 11  3  1  0  0  0  0
 12  1  2  0  0  0  0
 13  1  2  0  0  0  0
 14  2  1  0  0  0  0
 15  5  2  0  0  0  0
 16 15  1  0  0  0  0
 17  7  2  0  0  0  0
 18 11  2  0  0  0  0
 19 11  1  0  0  0  0
 20  2  1  0  0  0  0
 21 29  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 21  2  0  0  0  0
 26 21  1  0  0  0  0
 27 19  1  0  0  0  0
 28 14  1  0  0  0  0
 29 27  1  0  0  0  0
 30 14  1  0  0  0  0
 31 22  1  0  0  0  0
 32 20  1  0  0  0  0
 33 28  1  0  0  0  0
 34 32  1  0  0  0  0
  4  8  1  0  0  0  0
 34 30  1  0  0  0  0
  7  9  1  0  0  0  0
 23 22  2  0  0  0  0
M  END
>  <Mol_ID> (4,043)
4043

>  <Formula> (4,043)
C26H31N3O4S

>  <MolWeight> (4,043)
481.60704

>  <COMPOUND_NAME> (4,043)
WAY-335896

>  <BAR_CODE_NO> (4,043)
310897

$$$$
WAY-335897
csChFnd80/06171916322D

 34 37  0  0  0  0  0  0  0  0999 V2000
    1.2042   -1.7667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917   -1.3542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0667   -1.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3542   -2.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9250   -2.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0667   -3.4292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7917   -3.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3500   -3.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7917   -2.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0667   -0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6375   -1.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6167   -1.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917   -2.4792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7875   -0.5250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2250   -1.7667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.9250   -3.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6375   -3.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5042   -3.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3542   -0.5250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5000   -0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2042   -0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6292    0.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9167   -0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2042    0.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9125    0.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6292   -0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2250   -2.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458   -1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3417    0.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9375   -3.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3375    1.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458   -0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4 11  2  0  0  0  0
  5  1  1  0  0  0  0
  6  8  1  0  0  0  0
  7  6  1  0  0  0  0
  8 17  2  0  0  0  0
  9  3  2  0  0  0  0
 10  3  1  0  0  0  0
 11  5  1  0  0  0  0
 12  1  2  0  0  0  0
 13  1  2  0  0  0  0
 14 10  1  0  0  0  0
 15  2  1  0  0  0  0
 16  5  2  0  0  0  0
 17 16  1  0  0  0  0
 18  7  2  0  0  0  0
 19 10  2  0  0  0  0
 20 14  1  0  0  0  0
 21  2  1  0  0  0  0
 22 20  1  0  0  0  0
 23 26  1  0  0  0  0
 24 22  2  0  0  0  0
 25 22  1  0  0  0  0
 26 25  2  0  0  0  0
 27 24  1  0  0  0  0
 28 15  1  0  0  0  0
 29 15  1  0  0  0  0
 30 23  1  0  0  0  0
 31 21  1  0  0  0  0
 32 28  1  0  0  0  0
 33 30  1  0  0  0  0
 34 31  1  0  0  0  0
  4  8  1  0  0  0  0
 34 29  1  0  0  0  0
  7  9  1  0  0  0  0
 27 23  2  0  0  0  0
M  END
>  <Mol_ID> (4,044)
4044

>  <Formula> (4,044)
C26H31N3O4S

>  <MolWeight> (4,044)
481.60704

>  <COMPOUND_NAME> (4,044)
WAY-335897

>  <BAR_CODE_NO> (4,044)
310898

$$$$
WAY-335915
csChFnd80/06171916322D

 33 36  0  0  0  0  0  0  0  0999 V2000
   -0.0333   -2.0417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8292   -2.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167   -2.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6875   -2.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458   -1.6292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8375   -3.6917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5542   -3.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167   -3.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5542   -2.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8250   -1.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000   -2.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5375   -0.7875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458   -2.7542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792   -1.3250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9542   -0.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6750   -1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3792   -0.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2542   -1.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6875   -3.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000   -3.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2667   -3.6917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1042   -0.7917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9542    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3792    0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6625    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6750   -2.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083   -1.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8375   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0917    0.4625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3917   -2.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0917    1.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0583   -1.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6458   -0.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3 11  2  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  8  1  0  0  0  0
  7  6  1  0  0  0  0
  8 20  2  0  0  0  0
  9  2  2  0  0  0  0
 10  2  1  0  0  0  0
 11  4  1  0  0  0  0
 12 10  1  0  0  0  0
 13  1  2  0  0  0  0
 14  1  2  0  0  0  0
 15 18  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 12  1  0  0  0  0
 19  4  2  0  0  0  0
 20 19  1  0  0  0  0
 21  7  2  0  0  0  0
 22 10  2  0  0  0  0
 23 15  1  0  0  0  0
 24 25  1  0  0  0  0
 25 23  2  0  0  0  0
 26 16  1  0  0  0  0
 27  5  1  0  0  0  0
 28  5  1  0  0  0  0
 29 24  1  0  0  0  0
 30 26  1  0  0  0  0
 31 29  1  0  0  0  0
 32 27  1  0  0  0  0
 33 28  1  0  0  0  0
 33 32  1  0  0  0  0
  3  8  1  0  0  0  0
  7  9  1  0  0  0  0
 17 24  2  0  0  0  0
M  END
>  <Mol_ID> (4,045)
4045

>  <Formula> (4,045)
C23H25N3O6S

>  <MolWeight> (4,045)
471.5261

>  <COMPOUND_NAME> (4,045)
WAY-335915

>  <BAR_CODE_NO> (4,045)
310916

$$$$
WAY-335936
csChFnd80/06171916322D

 33 36  0  0  0  0  0  0  0  0999 V2000
    0.9250   -1.6542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042   -1.2417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7875   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0667   -2.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6417   -2.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7792   -3.3167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5042   -2.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0667   -2.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5042   -2.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542   -1.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7875   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292   -0.9417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542   -2.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083   -1.6542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.6417   -2.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542   -3.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2167   -3.3167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0750   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5042   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042   -0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6417   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0625   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3417   -2.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0542   -0.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6375   -1.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3500   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2167   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9292   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2250   -1.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7750   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2250   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4 10  2  0  0  0  0
  5  1  1  0  0  0  0
  6  8  1  0  0  0  0
  7  6  1  0  0  0  0
  8 16  2  0  0  0  0
  9  3  2  0  0  0  0
 10  5  1  0  0  0  0
 11  3  1  0  0  0  0
 12  1  2  0  0  0  0
 13  1  2  0  0  0  0
 14  2  1  0  0  0  0
 15  5  2  0  0  0  0
 16 15  1  0  0  0  0
 17  7  2  0  0  0  0
 18 11  2  0  0  0  0
 19 11  1  0  0  0  0
 20  2  1  0  0  0  0
 21 28  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 21  2  0  0  0  0
 26 21  1  0  0  0  0
 27 19  1  0  0  0  0
 28 27  1  0  0  0  0
 29 14  1  0  0  0  0
 30 14  1  0  0  0  0
 31 22  1  0  0  0  0
 32 20  1  0  0  0  0
 33 32  1  0  0  0  0
  4  8  1  0  0  0  0
 33 30  1  0  0  0  0
  7  9  1  0  0  0  0
 23 22  2  0  0  0  0
M  END
>  <Mol_ID> (4,046)
4046

>  <Formula> (4,046)
C25H29N3O4S

>  <MolWeight> (4,046)
467.58046

>  <COMPOUND_NAME> (4,046)
WAY-335936

>  <BAR_CODE_NO> (4,046)
310937

$$$$
WAY-335937
csChFnd80/06171916322D

 32 35  0  0  0  0  0  0  0  0999 V2000
    0.9250   -1.6542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042   -1.2417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7875   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0667   -2.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6417   -2.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7792   -3.3167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5042   -2.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0667   -2.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5042   -2.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7875   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542   -1.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292   -0.9417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542   -2.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5042   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9250   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083   -1.6542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.2167   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6417   -2.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542   -3.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2167   -3.3167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0750   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9250    0.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042   -0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2042    0.8208    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.6417   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6292    0.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2250   -1.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3500   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3500    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2250   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4 11  2  0  0  0  0
  5  1  1  0  0  0  0
  6  8  1  0  0  0  0
  7  6  1  0  0  0  0
  8 19  2  0  0  0  0
  9  3  2  0  0  0  0
 10  3  1  0  0  0  0
 11  5  1  0  0  0  0
 12  1  2  0  0  0  0
 13  1  2  0  0  0  0
 14 10  1  0  0  0  0
 15 17  1  0  0  0  0
 16  2  1  0  0  0  0
 17 14  1  0  0  0  0
 18  5  2  0  0  0  0
 19 18  1  0  0  0  0
 20  7  2  0  0  0  0
 21 10  2  0  0  0  0
 22 15  1  0  0  0  0
 23  2  1  0  0  0  0
 24 22  1  0  0  0  0
 25 15  2  0  0  0  0
 26 22  2  0  0  0  0
 27 16  1  0  0  0  0
 28 16  1  0  0  0  0
 29 23  1  0  0  0  0
 30 25  1  0  0  0  0
 31 30  2  0  0  0  0
 32 29  1  0  0  0  0
  4  8  1  0  0  0  0
 28 32  1  0  0  0  0
  7  9  1  0  0  0  0
 26 31  1  0  0  0  0
M  END
>  <Mol_ID> (4,047)
4047

>  <Formula> (4,047)
C23H24ClN3O4S

>  <MolWeight> (4,047)
473.97236

>  <COMPOUND_NAME> (4,047)
WAY-335937

>  <BAR_CODE_NO> (4,047)
310938

$$$$
WAY-335938
csChFnd80/06171916322D

 32 35  0  0  0  0  0  0  0  0999 V2000
    0.9250   -1.6542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042   -1.2417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7875   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0667   -2.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6417   -2.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7792   -3.3167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5042   -2.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0667   -2.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5042   -2.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7875   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542   -1.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292   -0.9417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542   -2.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5042   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083   -1.6542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.6417   -2.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542   -3.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2167   -3.3167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0750   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2167   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042   -0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3500    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9250   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0625    0.8333    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.6292    0.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3500   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9250    0.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6417   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2250   -1.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2250   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4 11  2  0  0  0  0
  5  1  1  0  0  0  0
  6  8  1  0  0  0  0
  7  6  1  0  0  0  0
  8 17  2  0  0  0  0
  9  3  2  0  0  0  0
 10  3  1  0  0  0  0
 11  5  1  0  0  0  0
 12  1  2  0  0  0  0
 13  1  2  0  0  0  0
 14 10  1  0  0  0  0
 15  2  1  0  0  0  0
 16  5  2  0  0  0  0
 17 16  1  0  0  0  0
 18  7  2  0  0  0  0
 19 10  2  0  0  0  0
 20 14  1  0  0  0  0
 21  2  1  0  0  0  0
 22 26  2  0  0  0  0
 23 20  1  0  0  0  0
 24 22  1  0  0  0  0
 25 27  2  0  0  0  0
 26 28  1  0  0  0  0
 27 23  1  0  0  0  0
 28 23  2  0  0  0  0
 29 15  1  0  0  0  0
 30 15  1  0  0  0  0
 31 21  1  0  0  0  0
 32 31  1  0  0  0  0
  4  8  1  0  0  0  0
 30 32  1  0  0  0  0
  7  9  1  0  0  0  0
 25 22  1  0  0  0  0
M  END
>  <Mol_ID> (4,048)
4048

>  <Formula> (4,048)
C23H24FN3O4S

>  <MolWeight> (4,048)
457.5177632

>  <COMPOUND_NAME> (4,048)
WAY-335938

>  <BAR_CODE_NO> (4,048)
310939

$$$$
WAY-335939
csChFnd80/06171916322D

 32 35  0  0  0  0  0  0  0  0999 V2000
    0.9250   -1.6542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042   -1.2417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7875   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0667   -2.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6417   -2.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7792   -3.3167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5042   -2.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0667   -2.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5042   -2.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7875   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542   -1.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292   -0.9417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542   -2.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5042   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083   -1.6542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.6417   -2.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542   -3.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2167   -3.3167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0750   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2167   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042   -0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9250   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3500    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6417   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9250    0.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6292    0.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3500   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2250   -1.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0625    0.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2250   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4 11  2  0  0  0  0
  5  1  1  0  0  0  0
  6  8  1  0  0  0  0
  7  6  1  0  0  0  0
  8 17  2  0  0  0  0
  9  3  2  0  0  0  0
 10  3  1  0  0  0  0
 11  5  1  0  0  0  0
 12  1  2  0  0  0  0
 13  1  2  0  0  0  0
 14 10  1  0  0  0  0
 15  2  1  0  0  0  0
 16  5  2  0  0  0  0
 17 16  1  0  0  0  0
 18  7  2  0  0  0  0
 19 10  2  0  0  0  0
 20 14  1  0  0  0  0
 21  2  1  0  0  0  0
 22 20  1  0  0  0  0
 23 26  1  0  0  0  0
 24 22  2  0  0  0  0
 25 22  1  0  0  0  0
 26 25  2  0  0  0  0
 27 24  1  0  0  0  0
 28 15  1  0  0  0  0
 29 15  1  0  0  0  0
 30 23  1  0  0  0  0
 31 21  1  0  0  0  0
 32 31  1  0  0  0  0
  4  8  1  0  0  0  0
 29 32  1  0  0  0  0
  7  9  1  0  0  0  0
 27 23  2  0  0  0  0
M  END
>  <Mol_ID> (4,049)
4049

>  <Formula> (4,049)
C24H27N3O4S

>  <MolWeight> (4,049)
453.55388

>  <COMPOUND_NAME> (4,049)
WAY-335939

>  <BAR_CODE_NO> (4,049)
310940

$$$$
WAY-336071
csChFnd80/06171916322D

 21 22  0  0  0  0  0  0  0  0999 V2000
    0.7792   -1.0042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042   -1.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8375   -1.7167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.2500   -2.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167   -1.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0750   -2.4417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7792   -0.1792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7792   -1.8292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3042   -3.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4792   -3.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8375   -3.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7042   -2.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167   -0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2917   -1.7292    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2542   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8417   -0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7125   -3.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5292   -2.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5292   -3.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9417   -3.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  5  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  1  2  0  0  0  0
  8  1  2  0  0  0  0
  9 10  1  0  0  0  0
 10  6  1  0  0  0  0
 11  4  2  0  0  0  0
 12  9  1  0  0  0  0
 13  1  1  0  0  0  0
 14  2  1  0  0  0  0
 15 12  1  0  0  0  0
 16 17  1  0  0  0  0
 17 14  1  0  0  0  0
 18  9  2  0  0  0  0
 19 12  2  0  0  0  0
 20 18  1  0  0  0  0
 21 20  2  0  0  0  0
  3 16  1  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <Mol_ID> (4,050)
4050

>  <Formula> (4,050)
C14H19ClN2O3S

>  <MolWeight> (4,050)
330.83026

>  <COMPOUND_NAME> (4,050)
WAY-336071

>  <BAR_CODE_NO> (4,050)
311072

$$$$
WAY-336130
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
    3.0667   -2.1125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7875   -2.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542   -2.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0750   -3.7667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0625   -1.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7667   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3625   -3.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5917   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7917   -3.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -0.0417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6000   -0.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000   -2.1042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8750    0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4792   -1.2542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8875   -1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1667   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4542    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1667   -0.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3042    0.4083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3125   -1.2542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6417   -2.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6417   -3.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0250   -0.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2917    1.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292   -2.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7417   -1.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292   -3.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  7  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7  3  1  0  0  0  0
  8 13  2  0  0  0  0
  9  2  1  0  0  0  0
 10  6  1  0  0  0  0
 11 15  2  0  0  0  0
 12  2  2  0  0  0  0
 13 16  1  0  0  0  0
 14  6  2  0  0  0  0
 15 18  1  0  0  0  0
 16 17  1  0  0  0  0
 17 10  1  0  0  0  0
 18 16  2  0  0  0  0
 19  8  1  0  0  0  0
 20 11  1  0  0  0  0
 21  3  2  0  0  0  0
 22  7  2  0  0  0  0
 23 20  1  0  0  0  0
 24 19  1  0  0  0  0
 25 21  1  0  0  0  0
 26 23  1  0  0  0  0
 27 25  2  0  0  0  0
  4  9  1  0  0  0  0
 22 27  1  0  0  0  0
 11  8  1  0  0  0  0
M  END
>  <Mol_ID> (4,051)
4051

>  <Formula> (4,051)
C20H22N2O5

>  <MolWeight> (4,051)
370.39908

>  <COMPOUND_NAME> (4,051)
WAY-336130

>  <BAR_CODE_NO> (4,051)
311131

$$$$
WAY-336169
csChFnd80/06171916322D

 18 19  0  0  0  0  0  0  0  0999 V2000
    5.5417   -1.6667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7250   -1.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3250   -2.3875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4875   -0.9667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.3125   -0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2417   -1.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5875   -1.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792   -1.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0167   -2.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8417   -2.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8125   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9417   -2.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9417   -0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0750   -1.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2375   -1.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7667   -0.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7542   -2.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1667   -1.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  5  1  0  0  0  0
  5  2  1  0  0  0  0
  6 14  1  0  0  0  0
  7  8  1  0  0  0  0
  8 11  2  0  0  0  0
  9 10  1  0  0  0  0
 10  6  2  0  0  0  0
 11  6  1  0  0  0  0
 12  1  1  0  0  0  0
 13  1  1  0  0  0  0
 14  4  1  0  0  0  0
 15  7  1  0  0  0  0
 16 13  1  0  0  0  0
 17 12  1  0  0  0  0
 18 16  1  0  0  0  0
 17 18  1  0  0  0  0
  9  7  2  0  0  0  0
M  END
>  <Mol_ID> (4,052)
4052

>  <Formula> (4,052)
C15H21NOS

>  <MolWeight> (4,052)
263.39834

>  <COMPOUND_NAME> (4,052)
WAY-336169

>  <BAR_CODE_NO> (4,052)
311170

$$$$
WAY-336245
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
    1.6125   -4.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042   -4.9542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8917   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000   -3.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1792   -4.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1792   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7417   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0292   -4.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167   -5.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8875   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000   -2.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7417   -6.1792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4500   -4.9417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4500   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1542   -2.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1542   -3.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6167   -2.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1875   -2.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8667   -2.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4500   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6167   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1875   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4417   -1.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8667   -1.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1542   -1.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  2  0  0  0  0
  5  6  2  0  0  0  0
  6  4  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  2  1  0  0  0  0
 10  3  2  0  0  0  0
 11  4  1  0  0  0  0
 12  7  2  0  0  0  0
 13  7  1  0  0  0  0
 14 13  1  0  0  0  0
 15 16  1  0  0  0  0
 16 14  1  0  0  0  0
 17 11  2  0  0  0  0
 18 11  1  0  0  0  0
 19 15  2  0  0  0  0
 20 15  1  0  0  0  0
 21 17  1  0  0  0  0
 22 18  2  0  0  0  0
 23 20  2  0  0  0  0
 24 19  1  0  0  0  0
 25 22  1  0  0  0  0
 26 23  1  0  0  0  0
  3  5  1  0  0  0  0
 25 21  2  0  0  0  0
 26 24  2  0  0  0  0
M  END
>  <Mol_ID> (4,053)
4053

>  <Formula> (4,053)
C21H21N3O2

>  <MolWeight> (4,053)
347.41034

>  <COMPOUND_NAME> (4,053)
WAY-336245

>  <BAR_CODE_NO> (4,053)
311246

$$$$
WAY-336431
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
    1.6125   -1.4542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000   -1.0417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4542   -1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4917   -3.0417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3292   -1.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7542   -1.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1917   -2.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1792   -1.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7667   -2.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0292   -1.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4375   -0.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1917   -2.1625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167   -0.7542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9167   -3.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9292   -3.8417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1875   -1.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3417   -2.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125   -0.1792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0625   -3.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1417   -0.1417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1875    0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208   -1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6542   -4.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6292   -2.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1417    0.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3625   -3.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3417   -2.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  6  1  0  0  0  0
  4  9  1  0  0  0  0
  5  1  1  0  0  0  0
  6 10  2  0  0  0  0
  7  4  2  0  0  0  0
  8  3  2  0  0  0  0
  9 20  2  0  0  0  0
 10  5  1  0  0  0  0
 11  3  1  0  0  0  0
 12  1  2  0  0  0  0
 13  1  2  0  0  0  0
 14  7  1  0  0  0  0
 15 14  2  0  0  0  0
 16  2  1  0  0  0  0
 17  2  1  0  0  0  0
 18  5  2  0  0  0  0
 19 11  2  0  0  0  0
 20 18  1  0  0  0  0
 21 11  1  0  0  0  0
 22 16  1  0  0  0  0
 23 17  1  0  0  0  0
 24 23  1  0  0  0  0
 25 15  1  0  0  0  0
 26 14  1  0  0  0  0
 27 21  1  0  0  0  0
 28 24  1  0  0  0  0
 29 30  1  0  0  0  0
 30 26  2  0  0  0  0
  9  6  1  0  0  0  0
 24 22  1  0  0  0  0
  7  8  1  0  0  0  0
 29 25  2  0  0  0  0
M  END
>  <Mol_ID> (4,054)
4054

>  <Formula> (4,054)
C22H24N4O3S

>  <MolWeight> (4,054)
424.51596

>  <COMPOUND_NAME> (4,054)
WAY-336431

>  <BAR_CODE_NO> (4,054)
311432

$$$$
WAY-336473
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   10.4917   -3.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333   -5.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333   -7.6042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6750   -2.3375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4292   -5.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5292   -1.6125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3167   -4.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000   -4.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2583   -4.4542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000   -2.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2042   -5.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8542   -1.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2042   -1.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0250   -4.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0250   -2.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2458   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4125   -8.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1167   -3.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3500   -6.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000  -10.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2458  -10.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1917   -7.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9542   -4.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333  -11.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  8  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  2  0  0  0  0
  7  1  1  0  0  0  0
  8 11  1  0  0  0  0
  9  2  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12  4  1  0  0  0  0
 13 15  1  0  0  0  0
 14 15  1  0  0  0  0
 15 12  1  0  0  0  0
 16  3  1  0  0  0  0
 17  3  1  0  0  0  0
 18  7  1  0  0  0  0
 19  7  2  0  0  0  0
 20 17  1  0  0  0  0
 21 16  1  0  0  0  0
 22 19  1  0  0  0  0
 23 18  2  0  0  0  0
 24 22  2  0  0  0  0
 25 20  1  0  0  0  0
 23 24  1  0  0  0  0
 10  8  1  0  0  0  0
 21 25  1  0  0  0  0
M  END
>  <Mol_ID> (4,055)
4055

>  <Formula> (4,055)
C19H28N2O3S

>  <MolWeight> (4,055)
364.50222

>  <COMPOUND_NAME> (4,055)
WAY-336473

>  <BAR_CODE_NO> (4,055)
311474

$$$$
WAY-336481
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
    7.7042   -9.8542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3125  -11.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3667   -9.0667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3125  -12.9417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9250  -11.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4667   -8.5417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0500  -10.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292  -10.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6583  -10.6250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292   -9.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542  -11.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0292   -8.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0125  -13.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6917  -10.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542   -8.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6917   -9.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0667  -12.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3667   -9.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0167  -15.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3292  -12.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7167  -10.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4167  -12.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6667  -13.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3417  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7500  -12.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6667  -15.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  8  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  2  0  0  0  0
  7  1  1  0  0  0  0
  8 10  1  0  0  0  0
  9  2  2  0  0  0  0
 10 15  1  0  0  0  0
 11 14  1  0  0  0  0
 12  3  1  0  0  0  0
 13  4  1  0  0  0  0
 14 16  1  0  0  0  0
 15 16  1  0  0  0  0
 16 12  1  0  0  0  0
 17  7  2  0  0  0  0
 18  7  1  0  0  0  0
 19 13  1  0  0  0  0
 20 13  1  0  0  0  0
 21 18  2  0  0  0  0
 22 17  1  0  0  0  0
 23 20  1  0  0  0  0
 24 19  1  0  0  0  0
 25 21  1  0  0  0  0
 26 23  1  0  0  0  0
 22 25  2  0  0  0  0
  8 11  1  0  0  0  0
 24 26  1  0  0  0  0
M  END
>  <Mol_ID> (4,056)
4056

>  <Formula> (4,056)
C20H30N2O3S

>  <MolWeight> (4,056)
378.5288

>  <COMPOUND_NAME> (4,056)
WAY-336481

>  <BAR_CODE_NO> (4,056)
311482

$$$$
WAY-336502
csChFnd80/06171916322D

 35 39  0  0  0  0  0  0  0  0999 V2000
    8.3292   -3.2792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3292   -2.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0917   -2.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3250   -1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4042    1.2958    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6875   -3.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0917    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4250    0.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4917   -2.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2875   -3.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6875   -5.1625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7042   -5.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7292   -7.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3792   -4.7292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7125   -8.8375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1083   -2.0417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2875    1.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4917    0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8125   -7.0417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7542  -10.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4667   -1.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8125  -14.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7125  -12.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8000  -10.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8417  -12.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7417  -14.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -6.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3542   -6.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6500    2.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8500  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7042    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6375   -8.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7167   -8.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7917    2.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9292  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  2  0  0  0  0
  9 10  1  0  0  0  0
 10  3  2  0  0  0  0
 11  6  1  0  0  0  0
 12  1  1  0  0  0  0
 13 12  1  0  0  0  0
 14  2  2  0  0  0  0
 15 13  1  0  0  0  0
 16  6  2  0  0  0  0
 17  7  2  0  0  0  0
 18  9  2  0  0  0  0
 19 13  2  0  0  0  0
 20 15  1  0  0  0  0
 21  4  1  0  0  0  0
 22 25  1  0  0  0  0
 23 20  2  0  0  0  0
 24 20  1  0  0  0  0
 25 24  2  0  0  0  0
 26 23  1  0  0  0  0
 27 11  1  0  0  0  0
 28 11  1  0  0  0  0
 29  8  1  0  0  0  0
 30 22  1  0  0  0  0
 31 21  2  0  0  0  0
 32 27  1  0  0  0  0
 33 28  1  0  0  0  0
 34 31  1  0  0  0  0
 35 30  1  0  0  0  0
  8  5  1  0  0  0  0
 17 18  1  0  0  0  0
 34 29  2  0  0  0  0
 26 22  2  0  0  0  0
 32 33  1  0  0  0  0
M  END
>  <Mol_ID> (4,057)
4057

>  <Formula> (4,057)
C28H27N3O3S

>  <MolWeight> (4,057)
485.59728

>  <COMPOUND_NAME> (4,057)
WAY-336502

>  <BAR_CODE_NO> (4,057)
311503

$$$$
WAY-336581
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
    1.7792   -8.5042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6917   -9.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5792   -8.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417   -9.6542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -9.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792   -9.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6125   -6.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9667   -6.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3750   -7.5667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2000   -7.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4292   -6.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3750   -6.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667   -9.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792  -10.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7375   -7.5750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.9167   -7.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458  -10.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8417   -7.5667    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.2667  -10.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458   -9.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1625  -10.9792    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.1417   -6.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8167   -9.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1917   -6.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8417   -6.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6000   -5.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4292   -5.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  2  0  0  0  0
  6  2  1  0  0  0  0
  7 10  1  0  0  0  0
  8 22  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11  7  2  0  0  0  0
 12  8  2  0  0  0  0
 13  6  2  0  0  0  0
 14  6  1  0  0  0  0
 15 16  1  0  0  0  0
 16  3  1  0  0  0  0
 17 19  1  0  0  0  0
 18 11  1  0  0  0  0
 19 14  2  0  0  0  0
 20 13  1  0  0  0  0
 21 17  1  0  0  0  0
 22 15  1  0  0  0  0
 23  5  1  0  0  0  0
 24  7  1  0  0  0  0
 25 11  1  0  0  0  0
 26 24  2  0  0  0  0
 27 26  1  0  0  0  0
  4  5  1  0  0  0  0
 20 17  2  0  0  0  0
 25 27  2  0  0  0  0
M  END
>  <Mol_ID> (4,058)
4058

>  <Formula> (4,058)
C20H18Cl2N2O2S

>  <MolWeight> (4,058)
421.34012

>  <COMPOUND_NAME> (4,058)
WAY-336581

>  <BAR_CODE_NO> (4,058)
311582

$$$$
WAY-336582
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
    1.0375   -9.3792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9542  -10.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8417   -9.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7042  -10.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542   -9.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417  -10.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2250   -7.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6292   -8.4500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1042   -7.0167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6292   -7.0250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4750  -10.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417  -11.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9917   -8.4542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.8667   -7.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1750   -8.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4542   -8.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1875  -11.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1875  -10.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4750  -11.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083  -11.8625    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4042   -7.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0792  -10.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6917   -7.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6875   -6.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4542   -7.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8542   -6.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  2  0  0  0  0
  6  2  1  0  0  0  0
  7 21  1  0  0  0  0
  8  7  1  0  0  0  0
  9 23  1  0  0  0  0
 10  7  2  0  0  0  0
 11  6  2  0  0  0  0
 12  6  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15  3  1  0  0  0  0
 16  8  1  0  0  0  0
 17 19  1  0  0  0  0
 18 11  1  0  0  0  0
 19 12  2  0  0  0  0
 20 17  1  0  0  0  0
 21 13  1  0  0  0  0
 22  5  1  0  0  0  0
 23 14  2  0  0  0  0
 24 26  1  0  0  0  0
 25 14  1  0  0  0  0
 26 25  2  0  0  0  0
  4  5  1  0  0  0  0
 18 17  2  0  0  0  0
  9 24  2  0  0  0  0
M  END
>  <Mol_ID> (4,059)
4059

>  <Formula> (4,059)
C19H18ClN3O2S

>  <MolWeight> (4,059)
387.88312

>  <COMPOUND_NAME> (4,059)
WAY-336582

>  <BAR_CODE_NO> (4,059)
311583

$$$$
WAY-336583
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
    2.8792   -7.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9667   -6.9750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7667   -6.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6375   -8.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875   -7.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1667   -8.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8042   -6.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1542   -5.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5667   -6.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3917   -6.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6167   -6.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1667   -9.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5542   -4.6125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9250   -6.0417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.1042   -6.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0292   -6.0167    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.3292   -5.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0042   -7.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542   -7.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3875   -7.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875   -9.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0292   -7.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542   -9.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7417   -8.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7917   -8.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6167   -8.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7417   -9.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7 10  1  0  0  0  0
  8 17  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11  7  1  0  0  0  0
 12  6  1  0  0  0  0
 13  8  2  0  0  0  0
 14 15  1  0  0  0  0
 15  3  1  0  0  0  0
 16 11  1  0  0  0  0
 17 14  1  0  0  0  0
 18  5  1  0  0  0  0
 19  6  2  0  0  0  0
 20  7  2  0  0  0  0
 21 12  1  0  0  0  0
 22 11  2  0  0  0  0
 23 12  2  0  0  0  0
 24 19  1  0  0  0  0
 25 20  1  0  0  0  0
 26 25  2  0  0  0  0
 27 24  2  0  0  0  0
  5  3  2  0  0  0  0
 27 23  1  0  0  0  0
 22 26  1  0  0  0  0
M  END
>  <Mol_ID> (4,060)
4060

>  <Formula> (4,060)
C21H21ClN2O2S

>  <MolWeight> (4,060)
400.92164

>  <COMPOUND_NAME> (4,060)
WAY-336583

>  <BAR_CODE_NO> (4,060)
311584

$$$$
WAY-336587
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
    5.8167   -7.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0917   -7.1625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0250   -8.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9667   -9.1167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3292   -9.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3625  -10.9917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6042   -7.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7167   -9.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2792  -15.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6375  -13.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3500  -11.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0167  -11.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0667   -9.2792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2542  -16.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6042   -5.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9792  -13.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6625  -12.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3917   -9.0292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.9292  -15.3667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4125   -8.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7292   -8.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9000  -10.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4000   -7.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8125   -4.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4000   -4.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917   -7.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917   -5.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  8  1  0  0  0  0
  7  1  1  0  0  0  0
  8 21  1  0  0  0  0
  9 10  1  0  0  0  0
 10 17  1  0  0  0  0
 11  6  1  0  0  0  0
 12  6  1  0  0  0  0
 13  8  2  0  0  0  0
 14  9  2  0  0  0  0
 15  7  1  0  0  0  0
 16 11  1  0  0  0  0
 17 12  1  0  0  0  0
 18 20  1  0  0  0  0
 19  9  1  0  0  0  0
 20  3  1  0  0  0  0
 21 18  1  0  0  0  0
 22  5  1  0  0  0  0
 23  7  2  0  0  0  0
 24 15  1  0  0  0  0
 25 15  2  0  0  0  0
 26 23  1  0  0  0  0
 27 26  2  0  0  0  0
  5  3  2  0  0  0  0
 25 27  1  0  0  0  0
 16 10  1  0  0  0  0
M  END
>  <Mol_ID> (4,061)
4061

>  <Formula> (4,061)
C20H25N3O3S

>  <MolWeight> (4,061)
387.4958

>  <COMPOUND_NAME> (4,061)
WAY-336587

>  <BAR_CODE_NO> (4,061)
311588

$$$$
WAY-336597
csChFnd80/06171916322D

 32 35  0  0  0  0  0  0  0  0999 V2000
    1.1667   -1.3542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0875   -2.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9792   -1.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8417   -2.5125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3917   -1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5792   -1.8417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7667   -0.4250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000   -2.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5792   -3.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3625    0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792   -2.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7667   -1.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9917   -1.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3542   -1.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5792   -0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792   -3.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7667    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9917   -3.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1292   -0.4292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3125   -0.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5417    0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3375   -3.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8167   -2.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2125   -1.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7542   -3.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3375   -2.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2292   -3.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0500   -2.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8167   -3.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5792   -4.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0500   -3.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3375   -4.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  2  0  0  0  0
  6 13  1  0  0  0  0
  7 10  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  2  0  0  0  0
 10 21  1  0  0  0  0
 11  2  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14  7  1  0  0  0  0
 15  7  1  0  0  0  0
 16 11  1  0  0  0  0
 17 10  2  0  0  0  0
 18  9  1  0  0  0  0
 19 20  1  0  0  0  0
 20  3  1  0  0  0  0
 21 19  1  0  0  0  0
 22 16  2  0  0  0  0
 23  8  1  0  0  0  0
 24  5  1  0  0  0  0
 25  9  1  0  0  0  0
 26 11  2  0  0  0  0
 27 23  2  0  0  0  0
 28 26  1  0  0  0  0
 29 27  1  0  0  0  0
 30 18  1  0  0  0  0
 31 28  2  0  0  0  0
 32 22  1  0  0  0  0
  5  4  1  0  0  0  0
 22 31  1  0  0  0  0
  6 12  1  0  0  0  0
 29 18  2  0  0  0  0
M  END
>  <Mol_ID> (4,062)
4062

>  <Formula> (4,062)
C26H31N3O2S

>  <MolWeight> (4,062)
449.60824

>  <COMPOUND_NAME> (4,062)
WAY-336597

>  <BAR_CODE_NO> (4,062)
311598

$$$$
WAY-336598
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
    2.3542   -1.8167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000   -2.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9042   -2.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6875   -2.9792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9375   -0.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4917   -3.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3542   -0.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8875   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3417    0.5208    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.1125   -0.2125    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.1792   -0.9042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667   -2.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8875   -0.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1292   -1.6292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7250   -2.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458   -0.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2583   -0.5042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.9542   -1.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8292   -3.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1042    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6917    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9292    1.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1667    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4250   -0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2583    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  7  1  0  0  0  0
  6  3  2  0  0  0  0
  7 18  1  0  0  0  0
  8  2  1  0  0  0  0
  9  5  1  0  0  0  0
 10  5  1  0  0  0  0
 11  7  2  0  0  0  0
 12  8  2  0  0  0  0
 13  8  1  0  0  0  0
 14 15  1  0  0  0  0
 15  3  1  0  0  0  0
 16 20  1  0  0  0  0
 17 16  1  0  0  0  0
 18 14  1  0  0  0  0
 19 12  1  0  0  0  0
 20 13  2  0  0  0  0
 21  6  1  0  0  0  0
 22 23  1  0  0  0  0
 23 10  1  0  0  0  0
 24  9  1  0  0  0  0
 25  9  1  0  0  0  0
 26 10  1  0  0  0  0
 27 17  1  0  0  0  0
  4  6  1  0  0  0  0
 16 19  2  0  0  0  0
 24 22  1  0  0  0  0
M  END
>  <Mol_ID> (4,063)
4063

>  <Formula> (4,063)
C21H28N2O2S2

>  <MolWeight> (4,063)
404.58922

>  <COMPOUND_NAME> (4,063)
WAY-336598

>  <BAR_CODE_NO> (4,063)
311599

$$$$
WAY-336619
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
    4.2292   -0.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4750   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7792   -1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5625   -2.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3667   -2.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8042    0.7208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2292    0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5542    2.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7625   -0.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9750    2.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9875    0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2167    1.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0500    0.0208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7292    2.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5667    1.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8000    2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7625    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0417   -1.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0042   -0.7042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.9667    3.5833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000   -1.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8250   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0417    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292   -0.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7042   -2.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6167    0.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  2  0  0  0  0
  6  7  1  0  0  0  0
  7 22  1  0  0  0  0
  8 10  1  0  0  0  0
  9  2  1  0  0  0  0
 10 16  1  0  0  0  0
 11  6  1  0  0  0  0
 12  6  1  0  0  0  0
 13  7  2  0  0  0  0
 14  8  2  0  0  0  0
 15 11  1  0  0  0  0
 16 12  1  0  0  0  0
 17  9  1  0  0  0  0
 18  9  2  0  0  0  0
 19 21  1  0  0  0  0
 20  8  1  0  0  0  0
 21  3  1  0  0  0  0
 22 19  1  0  0  0  0
 23 17  2  0  0  0  0
 24 18  1  0  0  0  0
 25 24  2  0  0  0  0
 26  5  1  0  0  0  0
 27 25  1  0  0  0  0
  4  5  1  0  0  0  0
 23 25  1  0  0  0  0
 15 10  1  0  0  0  0
M  END
>  <Mol_ID> (4,064)
4064

>  <Formula> (4,064)
C20H25N3O3S

>  <MolWeight> (4,064)
387.4958

>  <COMPOUND_NAME> (4,064)
WAY-336619

>  <BAR_CODE_NO> (4,064)
311620

$$$$
WAY-336640
csChFnd80/06171916322D

 32 35  0  0  0  0  0  0  0  0999 V2000
    7.0417   -4.1917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1542   -3.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9292   -5.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9750   -5.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7375   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3542   -1.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0250   -2.5375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2167   -1.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7542   -2.7917    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
   13.3917   -4.3750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6167   -2.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9417   -5.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0750   -5.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1625   -2.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5750   -3.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8500   -3.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2500   -4.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8167   -0.5750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4292   -3.7167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9417   -7.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500   -5.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6125   -6.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2000   -5.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4292   -7.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8792   -6.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2917   -7.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9625   -5.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500   -7.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9625   -7.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.1042    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.8750   -5.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9667   -7.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  2  2  0  0  0  0
  6  8  1  0  0  0  0
  7  6  1  0  0  0  0
  8  9  1  0  0  0  0
  9 11  1  0  0  0  0
 10 17  1  0  0  0  0
 11  2  1  0  0  0  0
 12  3  1  0  0  0  0
 13 10  1  0  0  0  0
 14  7  1  0  0  0  0
 15  7  1  0  0  0  0
 16 14  1  0  0  0  0
 17 15  1  0  0  0  0
 18  6  2  0  0  0  0
 19  9  2  0  0  0  0
 20 12  1  0  0  0  0
 21 12  2  0  0  0  0
 22 13  2  0  0  0  0
 23 13  1  0  0  0  0
 24 25  1  0  0  0  0
 25 23  2  0  0  0  0
 26 22  1  0  0  0  0
 27 21  1  0  0  0  0
 28 20  2  0  0  0  0
 29 27  2  0  0  0  0
 30 24  1  0  0  0  0
 31  5  1  0  0  0  0
 32 29  1  0  0  0  0
  5  4  1  0  0  0  0
 28 29  1  0  0  0  0
 16 10  1  0  0  0  0
 24 26  2  0  0  0  0
M  END
>  <Mol_ID> (4,065)
4065

>  <Formula> (4,065)
C24H26ClN3O3S

>  <MolWeight> (4,065)
471.99954

>  <COMPOUND_NAME> (4,065)
WAY-336640

>  <BAR_CODE_NO> (4,065)
311641

$$$$
WAY-336641
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
    7.7625   -3.9250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6292   -5.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0792   -3.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8542   -5.7917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7500   -4.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6042   -1.9750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8167   -0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4792   -5.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9500   -1.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0792   -3.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3667    0.3250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4792   -7.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3167   -5.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9500   -2.2667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.6167   -2.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1625   -7.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4917   -1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1625   -5.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3167   -7.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8750   -4.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7542   -2.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0792   -4.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2042   -4.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0042   -7.9417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0042   -9.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -5.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8292   -9.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  2  0  0  0  0
  6  7  1  0  0  0  0
  7 17  1  0  0  0  0
  8  2  1  0  0  0  0
  9  6  1  0  0  0  0
 10  6  1  0  0  0  0
 11  7  2  0  0  0  0
 12  8  1  0  0  0  0
 13  8  2  0  0  0  0
 14 15  1  0  0  0  0
 15  3  1  0  0  0  0
 16 18  2  0  0  0  0
 17 14  1  0  0  0  0
 18 13  1  0  0  0  0
 19 12  2  0  0  0  0
 20 10  1  0  0  0  0
 21  9  1  0  0  0  0
 22  5  1  0  0  0  0
 23 20  1  0  0  0  0
 24 16  1  0  0  0  0
 25 24  1  0  0  0  0
 26 23  1  0  0  0  0
 27 25  1  0  0  0  0
  4  5  1  0  0  0  0
 16 19  1  0  0  0  0
 23 21  1  0  0  0  0
M  END
>  <Mol_ID> (4,066)
4066

>  <Formula> (4,066)
C21H28N2O3S

>  <MolWeight> (4,066)
388.52362

>  <COMPOUND_NAME> (4,066)
WAY-336641

>  <BAR_CODE_NO> (4,066)
311642

$$$$
WAY-336689
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -0.8208    0.2333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1458   -3.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5625   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833   -1.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2250    0.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9458   -2.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4083   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583   -2.0792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1958   -1.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208   -3.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5750   -1.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3833    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500   -0.3542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7625   -2.7167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208    1.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2125   -0.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1333   -4.0917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7958   -0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5083   -4.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667    1.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1792    2.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667    1.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5667    2.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  2  0  0  0  0
  5  1  1  0  0  0  0
  6  8  1  0  0  0  0
  7  1  1  0  0  0  0
  8 11  1  0  0  0  0
  9  7  1  0  0  0  0
 10  2  1  0  0  0  0
 11 19  2  0  0  0  0
 12  1  2  0  0  0  0
 13  1  2  0  0  0  0
 14  3  2  0  0  0  0
 15  5  1  0  0  0  0
 16  5  1  0  0  0  0
 17  7  2  0  0  0  0
 18 10  2  0  0  0  0
 19 17  1  0  0  0  0
 20 10  1  0  0  0  0
 21 16  1  0  0  0  0
 22 15  1  0  0  0  0
 23 21  1  0  0  0  0
 24 23  1  0  0  0  0
 11  4  1  0  0  0  0
 23 22  1  0  0  0  0
  6  2  2  0  0  0  0
M  END
>  <Mol_ID> (4,067)
4067

>  <Formula> (4,067)
C16H18N2O5S

>  <MolWeight> (4,067)
350.38952

>  <COMPOUND_NAME> (4,067)
WAY-336689

>  <BAR_CODE_NO> (4,067)
311690

$$$$
WAY-336690
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.0750    0.7708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5208    0.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208    0.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6625    1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2875    1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8625    0.4958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0333    1.8958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3458    0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2583    1.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3500    1.5583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -0.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6083   -0.5417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1417    1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0125   -0.7917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333    2.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9250    0.3083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4917    1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1792   -0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -0.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1917    0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  2  0  0  0  0
  5  8  1  0  0  0  0
  6  1  1  0  0  0  0
  7  1  1  0  0  0  0
  8 11  1  0  0  0  0
  9  6  1  0  0  0  0
 10  2  1  0  0  0  0
 11 17  2  0  0  0  0
 12  1  2  0  0  0  0
 13  1  2  0  0  0  0
 14  3  2  0  0  0  0
 15  6  2  0  0  0  0
 16 10  2  0  0  0  0
 17 15  1  0  0  0  0
 18 10  1  0  0  0  0
 19  7  1  0  0  0  0
 20  7  1  0  0  0  0
 21 20  1  0  0  0  0
 22 19  1  0  0  0  0
 22 21  1  0  0  0  0
 11  4  1  0  0  0  0
  5  2  2  0  0  0  0
M  END
>  <Mol_ID> (4,068)
4068

>  <Formula> (4,068)
C14H14N2O5S

>  <MolWeight> (4,068)
322.33636

>  <COMPOUND_NAME> (4,068)
WAY-336690

>  <BAR_CODE_NO> (4,068)
311691

$$$$
WAY-336691
csChFnd80/06171916322D

 34 37  0  0  0  0  0  0  0  0999 V2000
   -0.9875    7.9417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1500    5.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4333    5.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4333    6.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8583    5.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2750    8.3542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7000    7.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1500    4.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8583    6.2792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7083    6.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1458    6.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4000    8.6542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5750    7.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8625    3.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6958    5.0417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833    9.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4250    7.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    3.8083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1458    7.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8625    2.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1458    2.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    1.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292    7.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4208    2.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208    2.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    1.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958    9.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417    9.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000    1.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542    8.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417   10.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958   10.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2750   10.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4 10  2  0  0  0  0
  5  9  1  0  0  0  0
  6  1  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9 11  1  0  0  0  0
 10  7  1  0  0  0  0
 11 19  2  0  0  0  0
 12  1  2  0  0  0  0
 13  1  2  0  0  0  0
 14  8  1  0  0  0  0
 15  3  2  0  0  0  0
 16  6  1  0  0  0  0
 17  7  2  0  0  0  0
 18  8  2  0  0  0  0
 19 17  1  0  0  0  0
 20 14  1  0  0  0  0
 21 20  1  0  0  0  0
 22 27  2  0  0  0  0
 23  6  1  0  0  0  0
 24 21  1  0  0  0  0
 25 21  2  0  0  0  0
 26 24  2  0  0  0  0
 27 25  1  0  0  0  0
 28 16  1  0  0  0  0
 29 16  2  0  0  0  0
 30 22  1  0  0  0  0
 31 23  1  0  0  0  0
 32 29  1  0  0  0  0
 33 28  2  0  0  0  0
 34 32  2  0  0  0  0
 11  4  1  0  0  0  0
 33 34  1  0  0  0  0
  5  2  2  0  0  0  0
 22 26  1  0  0  0  0
M  END
>  <Mol_ID> (4,069)
4069

>  <Formula> (4,069)
C26H25N3O4S

>  <MolWeight> (4,069)
475.5594

>  <COMPOUND_NAME> (4,069)
WAY-336691

>  <BAR_CODE_NO> (4,069)
311692

$$$$
WAY-336692
csChFnd80/06171916322D

 32 35  0  0  0  0  0  0  0  0999 V2000
   -0.9875    7.9417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1500    5.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4333    5.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4333    6.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8583    5.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2750    8.3542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7000    7.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1500    4.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8583    6.2792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7083    6.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1458    6.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4000    8.6542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5750    7.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8625    3.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6958    5.0417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833    9.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4250    7.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    3.8083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1458    7.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000    2.8958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8625    2.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1500    2.5708    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.4292    7.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8583    2.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417    9.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958    9.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0708    1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542    8.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2625    1.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417   10.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958   10.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2750   10.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4 10  2  0  0  0  0
  5  9  1  0  0  0  0
  6  1  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9 11  1  0  0  0  0
 10  7  1  0  0  0  0
 11 19  2  0  0  0  0
 12  1  2  0  0  0  0
 13  1  2  0  0  0  0
 14  8  1  0  0  0  0
 15  3  2  0  0  0  0
 16  6  1  0  0  0  0
 17  7  2  0  0  0  0
 18  8  2  0  0  0  0
 19 17  1  0  0  0  0
 20 22  1  0  0  0  0
 21 14  1  0  0  0  0
 22 21  1  0  0  0  0
 23  6  1  0  0  0  0
 24 20  1  0  0  0  0
 25 16  2  0  0  0  0
 26 16  1  0  0  0  0
 27 22  1  0  0  0  0
 28 23  1  0  0  0  0
 29 27  1  0  0  0  0
 30 25  1  0  0  0  0
 31 26  2  0  0  0  0
 32 31  1  0  0  0  0
  4 11  1  0  0  0  0
 32 30  2  0  0  0  0
  2  5  2  0  0  0  0
 24 29  1  0  0  0  0
M  END
>  <Mol_ID> (4,070)
4070

>  <Formula> (4,070)
C23H25N3O5S

>  <MolWeight> (4,070)
455.5267

>  <COMPOUND_NAME> (4,070)
WAY-336692

>  <BAR_CODE_NO> (4,070)
311693

$$$$
WAY-336715
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -1.8958    2.0583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8958    2.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5458    3.1833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5458    1.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1958    2.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1958    2.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3458    2.4375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9083    3.0333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2458    3.1833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2458    1.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9083    1.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5458    0.9333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5958    2.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542    3.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2458    0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5958    2.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042    2.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6000    0.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542    1.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542    0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542    3.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042    2.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3542    3.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125    0.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3625    0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3542    3.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042    4.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7 11  2  0  0  0  0
  8  6  1  0  0  0  0
  9  2  1  0  0  0  0
 10  1  1  0  0  0  0
 11  5  1  0  0  0  0
 12  4  2  0  0  0  0
 13  9  1  0  0  0  0
 14 13  1  0  0  0  0
 15 10  1  0  0  0  0
 16 10  2  0  0  0  0
 17 14  2  0  0  0  0
 18 15  2  0  0  0  0
 19 16  1  0  0  0  0
 20 19  2  0  0  0  0
 21 14  1  0  0  0  0
 22 17  1  0  0  0  0
 23 17  1  0  0  0  0
 24 20  1  0  0  0  0
 25 24  1  0  0  0  0
 26 27  1  0  0  0  0
 27 21  2  0  0  0  0
  6  3  1  0  0  0  0
 18 20  1  0  0  0  0
  7  8  1  0  0  0  0
 23 26  2  0  0  0  0
M  END
>  <Mol_ID> (4,071)
4071

>  <Formula> (4,071)
C21H20N4OS

>  <MolWeight> (4,071)
376.4747

>  <COMPOUND_NAME> (4,071)
WAY-336715

>  <BAR_CODE_NO> (4,071)
311716

$$$$
WAY-336726
csChFnd80/06171916322D

 22 25  0  0  0  0  0  0  0  0999 V2000
   -0.4458    0.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208   -0.9125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208    0.3958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6875   -0.2417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667   -1.0792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667    0.5708    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.9792    0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792   -0.6667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.2542    1.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6875   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1042   -1.0792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583    1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9542    1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417    3.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9542    2.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583    2.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417    3.8458    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6667   -1.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1042   -1.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792   -2.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  7  1  0  0  0  0
 11  9  1  0  0  0  0
 12 18  1  0  0  0  0
 13 10  2  0  0  0  0
 14 10  1  0  0  0  0
 15 16  1  0  0  0  0
 16 14  2  0  0  0  0
 17 13  1  0  0  0  0
 18 11  2  0  0  0  0
 19 15  1  0  0  0  0
 20 11  1  0  0  0  0
 21 22  1  0  0  0  0
 22 20  2  0  0  0  0
  5  3  1  0  0  0  0
  9  6  1  0  0  0  0
 15 17  2  0  0  0  0
 21 12  2  0  0  0  0
M  END
>  <Mol_ID> (4,072)
4072

>  <Formula> (4,072)
C15H13FN6

>  <MolWeight> (4,072)
296.3023232

>  <COMPOUND_NAME> (4,072)
WAY-336726

>  <BAR_CODE_NO> (4,072)
311727

$$$$
WAY-336753
csChFnd80/06171916322D

 22 25  0  0  0  0  0  0  0  0999 V2000
    3.1542   -5.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1542   -4.5042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8917   -4.0875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.6125   -4.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8917   -5.7542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792   -5.5875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6125   -5.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792   -4.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8917   -3.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9000   -4.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3167   -5.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4750   -2.6667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1542   -2.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0917   -1.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2792   -2.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0292   -5.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3167   -6.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7417   -6.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0250   -7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7417   -5.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4542   -7.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1667   -6.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  7  2  0  0  0  0
  5  1  1  0  0  0  0
  6  1  2  0  0  0  0
  7  5  1  0  0  0  0
  8  2  1  0  0  0  0
  9  3  1  0  0  0  0
 10  6  1  0  0  0  0
 11  7  1  0  0  0  0
 12  9  1  0  0  0  0
 13  9  2  0  0  0  0
 14 12  1  0  0  0  0
 15 13  1  0  0  0  0
 16 11  1  0  0  0  0
 17 11  2  0  0  0  0
 18 19  2  0  0  0  0
 19 17  1  0  0  0  0
 20 16  2  0  0  0  0
 21 18  1  0  0  0  0
 22 21  1  0  0  0  0
 10  8  2  0  0  0  0
  4  3  1  0  0  0  0
 18 20  1  0  0  0  0
 14 15  2  0  0  0  0
M  END
>  <Mol_ID> (4,073)
4073

>  <Formula> (4,073)
C16H14N4O2

>  <MolWeight> (4,073)
294.30796

>  <COMPOUND_NAME> (4,073)
WAY-336753

>  <BAR_CODE_NO> (4,073)
311754

$$$$
WAY-336874
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -0.4930   -0.2453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6691    0.4374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6482    0.4374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4930   -1.6108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8311   -0.2453    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6691    1.7754    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8102   -0.2453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6482    1.7754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6482   -2.2626    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6898   -2.2902    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9898    0.4374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8311    2.4374    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8102   -1.6108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9689    0.4374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6482   -3.6108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9898    1.7754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1518   -0.2453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7898    3.2754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8311    3.3374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9689   -2.2626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1309   -0.2453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8102   -4.2902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1518    2.4374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3070    0.4374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1309   -1.6108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3070    1.7754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  2  0  0  0  0
  7 14  1  0  0  0  0
  9 15  1  0  0  0  0
 11 16  2  0  0  0  0
 11 17  1  0  0  0  0
 12 18  2  0  0  0  0
 12 19  2  0  0  0  0
 13 20  1  0  0  0  0
 14 21  2  0  0  0  0
 15 22  1  0  0  0  0
 16 23  1  0  0  0  0
 17 24  2  0  0  0  0
 20 25  2  0  0  0  0
 23 26  2  0  0  0  0
  9 13  1  0  0  0  0
 12 16  1  0  0  0  0
 21 25  1  0  0  0  0
 24 26  1  0  0  0  0
M  END
>  <Mol_ID> (4,074)
4074

>  <Formula> (4,074)
C18H15N3O4S

>  <MolWeight> (4,074)
369.3944

>  <COMPOUND_NAME> (4,074)
WAY-336874

>  <BAR_CODE_NO> (4,074)
311875

$$$$
WAY-336875
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
    0.6064    0.1332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0064    0.1302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9064    0.6522    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9124   -0.3888    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2966   -0.3918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2966    0.6492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5064    0.6582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5124   -0.3828    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8936   -0.3918    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0064   -0.9078    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8936    0.6492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0064    1.1742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8094    0.1392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8094    1.1772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0884   -0.5388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3564   -0.9618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1966    0.1302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1966   -0.9078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1966    1.1712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4064    0.1392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4064    1.1772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7966    0.1302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7966   -0.9108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7996    1.1712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7094    0.6582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0966    0.6492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0966   -1.4328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6966   -1.4328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7966   -1.9428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  1  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
 14  7  2  0  0  0  0
  8 15  2  0  0  0  0
  8 16  2  0  0  0  0
  9 17  1  0  0  0  0
  9 18  1  0  0  0  0
 11 19  1  0  0  0  0
 13 20  2  0  0  0  0
 14 21  1  0  0  0  0
 17 22  1  0  0  0  0
 18 23  1  0  0  0  0
 19 24  2  0  0  0  0
 20 25  1  0  0  0  0
 26 22  2  0  0  0  0
 23 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
  8 13  1  0  0  0  0
 17 11  2  0  0  0  0
 25 21  2  0  0  0  0
 24 26  1  0  0  0  0
M  END
>  <Mol_ID> (4,075)
4075

>  <Formula> (4,075)
C21H21N3O4S

>  <MolWeight> (4,075)
411.47414

>  <COMPOUND_NAME> (4,075)
WAY-336875

>  <BAR_CODE_NO> (4,075)
311876

$$$$
WAY-336876
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -0.1290    0.2180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6918    0.6805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1290   -0.7028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9290    0.6805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9290   -1.1820    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6918    1.5972    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4710    0.1972    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4918    2.0597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7290    0.2180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7290   -0.7195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3085    1.5805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2918    0.6597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6918   -1.1570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4918    2.9972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9290    1.6180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9290   -2.1028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5290    0.6805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1335    2.0180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5290   -1.1820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0710    0.1805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7290   -2.5570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7290   -3.5028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3290    0.2180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9085    1.5430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3290   -0.7028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8918    0.6180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5290   -3.9570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  2  2  0  0  0  0
  8  6  1  0  0  0  0
  9  4  1  0  0  0  0
 10  9  2  0  0  0  0
 11 12  1  0  0  0  0
 12  7  1  0  0  0  0
 13  3  2  0  0  0  0
 14  8  2  0  0  0  0
 15  4  1  0  0  0  0
 16  5  1  0  0  0  0
 17  9  1  0  0  0  0
 18 11  2  0  0  0  0
 19 10  1  0  0  0  0
 20 12  2  0  0  0  0
 21 16  1  0  0  0  0
 22 21  1  0  0  0  0
 23 17  2  0  0  0  0
 24 26  2  0  0  0  0
 25 23  1  0  0  0  0
 26 20  1  0  0  0  0
 27 22  1  0  0  0  0
 10  5  1  0  0  0  0
 11  8  1  0  0  0  0
 19 25  2  0  0  0  0
 24 18  1  0  0  0  0
M  END
>  <Mol_ID> (4,076)
4076

>  <Formula> (4,076)
C21H19N3O3

>  <MolWeight> (4,076)
361.39386

>  <COMPOUND_NAME> (4,076)
WAY-336876

>  <BAR_CODE_NO> (4,076)
311877

$$$$
WAY-336893
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -1.5958    1.2125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958    0.3833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3125    1.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3208   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0333    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0333    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3125    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958    2.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833    2.4583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5500    4.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3208   -0.8542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2625    3.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1708    2.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1708    3.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958    3.6958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667    2.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9792    4.1042    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.7458   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7458    1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542    4.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4583    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4583    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  6  1  0  0  0  0
  6  3  1  0  0  0  0
  7  3  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10 14  2  0  0  0  0
 11  4  2  0  0  0  0
 12 16  2  0  0  0  0
 13  9  1  0  0  0  0
 14 13  1  0  0  0  0
 15  8  2  0  0  0  0
 16 18  1  0  0  0  0
 17  2  1  0  0  0  0
 18 13  2  0  0  0  0
 19 12  1  0  0  0  0
 20  5  2  0  0  0  0
 21  6  2  0  0  0  0
 22 10  1  0  0  0  0
 23 24  2  0  0  0  0
 24 21  1  0  0  0  0
  5  4  1  0  0  0  0
 20 23  1  0  0  0  0
 12 10  1  0  0  0  0
M  END
>  <Mol_ID> (4,077)
4077

>  <Formula> (4,077)
C18H16BrN3O2

>  <MolWeight> (4,077)
386.24254

>  <COMPOUND_NAME> (4,077)
WAY-336893

>  <BAR_CODE_NO> (4,077)
311894

$$$$
WAY-336902
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -1.5958    1.2125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958    0.3833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3125    1.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3208   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0333    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0333    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3125    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958    2.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833    2.4583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1583    2.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1583    3.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5500    4.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3208   -0.8542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958    3.6958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542    2.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708    4.1042    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542    2.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9667    4.1375    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7458   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7458    1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4583    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4583    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  6  1  0  0  0  0
  6  3  1  0  0  0  0
  7  3  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13  4  2  0  0  0  0
 14  8  2  0  0  0  0
 15 10  2  0  0  0  0
 16 19  2  0  0  0  0
 17 11  1  0  0  0  0
 18  2  1  0  0  0  0
 19 15  1  0  0  0  0
 20 16  1  0  0  0  0
 21  5  2  0  0  0  0
 22  6  2  0  0  0  0
 23 24  2  0  0  0  0
 24 22  1  0  0  0  0
  5  4  1  0  0  0  0
 21 23  1  0  0  0  0
 16 12  1  0  0  0  0
M  END
>  <Mol_ID> (4,078)
4078

>  <Formula> (4,078)
C17H13F2N3O2

>  <MolWeight> (4,078)
329.3008264

>  <COMPOUND_NAME> (4,078)
WAY-336902

>  <BAR_CODE_NO> (4,078)
311903

$$$$
WAY-336949
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -2.0125    2.2083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833    2.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2875    3.4708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0208    3.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7458    2.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2458    2.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6250    3.7458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2333    3.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9875    2.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0458    3.0833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833    3.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1500    4.6542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083    1.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9708    1.3208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8125    3.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167    3.3958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458    0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833    1.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2458    0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    0.0083    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.2250    5.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792    4.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4333    1.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792    5.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9542    5.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  6  2  0  0  0  0
  5  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7  4  1  0  0  0  0
  8  9  2  0  0  0  0
  9  6  1  0  0  0  0
 10  2  1  0  0  0  0
 11 15  1  0  0  0  0
 12 11  1  0  0  0  0
 13  1  1  0  0  0  0
 14  5  2  0  0  0  0
 15 10  1  0  0  0  0
 16 11  2  0  0  0  0
 17 13  1  0  0  0  0
 18 13  2  0  0  0  0
 19 20  2  0  0  0  0
 20 18  1  0  0  0  0
 21 17  2  0  0  0  0
 22 19  1  0  0  0  0
 23 12  1  0  0  0  0
 24 12  1  0  0  0  0
 25  9  1  0  0  0  0
 26 23  1  0  0  0  0
 27 24  1  0  0  0  0
 21 19  1  0  0  0  0
  3  4  1  0  0  0  0
  7  8  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (4,079)
4079

>  <Formula> (4,079)
C18H19BrN6OS

>  <MolWeight> (4,079)
447.35206

>  <COMPOUND_NAME> (4,079)
WAY-336949

>  <BAR_CODE_NO> (4,079)
311950

$$$$
WAY-336983
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -2.0125    2.2083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833    2.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2875    3.4708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0208    3.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7458    2.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2458    2.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6250    3.7458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2333    3.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9875    2.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0458    3.0833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833    3.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1500    4.6542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083    1.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9708    1.3208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8125    3.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167    3.3958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458    0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833    1.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2458    0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2250    5.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792    4.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    0.0083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4333    1.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083   -0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792    5.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9542    5.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  6  2  0  0  0  0
  5  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7  4  1  0  0  0  0
  8  9  2  0  0  0  0
  9  6  1  0  0  0  0
 10  2  1  0  0  0  0
 11 15  1  0  0  0  0
 12 11  1  0  0  0  0
 13  1  1  0  0  0  0
 14  5  2  0  0  0  0
 15 10  1  0  0  0  0
 16 11  2  0  0  0  0
 17 13  1  0  0  0  0
 18 13  2  0  0  0  0
 19 20  2  0  0  0  0
 20 18  1  0  0  0  0
 21 17  2  0  0  0  0
 22 12  1  0  0  0  0
 23 12  1  0  0  0  0
 24 19  1  0  0  0  0
 25  9  1  0  0  0  0
 26 24  1  0  0  0  0
 27 22  1  0  0  0  0
 28 23  1  0  0  0  0
 19 21  1  0  0  0  0
  3  4  1  0  0  0  0
  7  8  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (4,080)
4080

>  <Formula> (4,080)
C19H22N6O2S

>  <MolWeight> (4,080)
398.48198

>  <COMPOUND_NAME> (4,080)
WAY-336983

>  <BAR_CODE_NO> (4,080)
311984

$$$$
WAY-337071
csChFnd80/06171916322D

 25 26  0  0  0  0  0  0  0  0999 V2000
    0.7125   -0.6375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4292   -1.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083    0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1417   -0.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8542   -1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7250    1.0250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7250   -0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2917   -1.3542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1250    0.0833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8542   -1.8667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   -2.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0042   -3.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5750   -2.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2792   -1.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5750   -0.6292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4458   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2917   -3.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4458    0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125    1.0333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5792   -3.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7250   -3.5042    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.1625   -0.6292    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.4292   -1.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7125   -1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  4  2  0  0  0  0
  8  2  2  0  0  0  0
  9  1  2  0  0  0  0
 10  1  2  0  0  0  0
 11  6  1  0  0  0  0
 12 15  2  0  0  0  0
 13 18  2  0  0  0  0
 14 11  1  0  0  0  0
 15 14  1  0  0  0  0
 16  6  2  0  0  0  0
 17  8  1  0  0  0  0
 18 21  1  0  0  0  0
 19 17  2  0  0  0  0
 20  4  1  0  0  0  0
 21 14  2  0  0  0  0
 22 13  1  0  0  0  0
 23 17  1  0  0  0  0
 24  3  1  0  0  0  0
 25 12  1  0  0  0  0
  7 19  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <Mol_ID> (4,081)
4081

>  <Formula> (4,081)
C15H16Br2N4O3S

>  <MolWeight> (4,081)
492.18554

>  <COMPOUND_NAME> (4,081)
WAY-337071

>  <BAR_CODE_NO> (4,081)
312072

$$$$
WAY-337156
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -1.0083    5.4500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7250    5.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708    2.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1458    2.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958    5.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    4.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4208    6.1667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5958    4.7292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    5.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208    4.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708    3.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1458    1.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5708    2.5583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4333    3.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1500    5.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958    6.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4250    5.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1292    6.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1375    5.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167    7.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8500    7.1125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.8500    1.3458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4375    2.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4333    1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8583    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    2.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    1.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3 11  1  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6 14  1  0  0  0  0
  7  1  2  0  0  0  0
  8  1  2  0  0  0  0
  9  2  1  0  0  0  0
 10  2  1  0  0  0  0
 11  6  1  0  0  0  0
 12  4  2  0  0  0  0
 13  3  2  0  0  0  0
 14 10  1  0  0  0  0
 15  9  1  0  0  0  0
 16  5  1  0  0  0  0
 17  5  2  0  0  0  0
 18 19  2  0  0  0  0
 19 17  1  0  0  0  0
 20 16  2  0  0  0  0
 21 18  1  0  0  0  0
 22 12  1  0  0  0  0
 23  4  1  0  0  0  0
 24 12  1  0  0  0  0
 25 22  1  0  0  0  0
 26 23  2  0  0  0  0
 27 26  1  0  0  0  0
 20 18  1  0  0  0  0
  6 15  1  0  0  0  0
 24 27  2  0  0  0  0
M  END
>  <Mol_ID> (4,082)
4082

>  <Formula> (4,082)
C19H21ClN2O4S

>  <MolWeight> (4,082)
408.89904

>  <COMPOUND_NAME> (4,082)
WAY-337156

>  <BAR_CODE_NO> (4,082)
312157

$$$$
WAY-337171
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -1.7208    5.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708    2.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    4.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000    5.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    2.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4375    2.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    2.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708    3.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7375    1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7125    4.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4333    5.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833    5.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5958    2.5583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1708    1.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4583    1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1458    5.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4250    3.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833    4.2167    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0125    2.9333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208    1.2833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000    6.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292    5.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2875    6.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292    6.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  8  1  0  0  0  0
  3 16  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  3  1  0  0  0  0
  9 15  1  0  0  0  0
 10  1  1  0  0  0  0
 11  1  1  0  0  0  0
 12  4  2  0  0  0  0
 13  2  2  0  0  0  0
 14  5  1  0  0  0  0
 15 14  2  0  0  0  0
 16 11  1  0  0  0  0
 17 10  1  0  0  0  0
 18 12  1  0  0  0  0
 19  7  1  0  0  0  0
 20  9  1  0  0  0  0
 21  4  1  0  0  0  0
 22 12  1  0  0  0  0
 23 21  2  0  0  0  0
 24 23  1  0  0  0  0
  3 17  1  0  0  0  0
 24 22  2  0  0  0  0
  9  7  2  0  0  0  0
M  END
>  <Mol_ID> (4,083)
4083

>  <Formula> (4,083)
C18H19FN2O3

>  <MolWeight> (4,083)
330.3534632

>  <COMPOUND_NAME> (4,083)
WAY-337171

>  <BAR_CODE_NO> (4,083)
312172

$$$$
WAY-337227
csChFnd80/06171916322D

 13 14  0  0  0  0  0  0  0  0999 V2000
    2.7667   -2.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5375   -1.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7875   -1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5500   -2.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1625   -2.4875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4917   -2.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667   -0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6167   -0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0500   -1.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3917    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792    0.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6500   -3.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  7  1  0  0  0  0
  9  7  2  0  0  0  0
 10  6  2  0  0  0  0
 11  8  1  0  0  0  0
 12  9  1  0  0  0  0
 13  6  1  0  0  0  0
  4  3  2  0  0  0  0
 11 12  2  0  0  0  0
M  END
>  <Mol_ID> (4,084)
4084

>  <Formula> (4,084)
C8H6N2O3

>  <MolWeight> (4,084)
178.14484

>  <COMPOUND_NAME> (4,084)
WAY-337227

>  <BAR_CODE_NO> (4,084)
312228

$$$$
WAY-337236
csChFnd80/06171916322D

 23 24  0  0  0  0  0  0  0  0999 V2000
   -1.6083    7.2042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6083    8.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5958    4.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6083    6.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5958    5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4708    7.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7583    7.2042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5833    3.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6125    3.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5875    8.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6208    8.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958   10.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5833    2.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5875    2.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5833   10.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6125   10.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958   11.7667    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.6458    0.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958    2.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6083    0.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6250    2.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6333    0.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542    0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  5  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  1  2  0  0  0  0
  7  1  2  0  0  0  0
  8  3  1  0  0  0  0
  9  3  2  0  0  0  0
 10  2  1  0  0  0  0
 11  2  2  0  0  0  0
 12 16  2  0  0  0  0
 13  8  1  0  0  0  0
 14 13  1  0  0  0  0
 15 10  2  0  0  0  0
 16 11  1  0  0  0  0
 17 12  1  0  0  0  0
 18 22  2  0  0  0  0
 19 14  1  0  0  0  0
 20 14  2  0  0  0  0
 21 19  2  0  0  0  0
 22 20  1  0  0  0  0
 23 18  1  0  0  0  0
 12 15  1  0  0  0  0
 21 18  1  0  0  0  0
M  END
>  <Mol_ID> (4,085)
4085

>  <Formula> (4,085)
C17H18BrNO3S

>  <MolWeight> (4,085)
396.29872

>  <COMPOUND_NAME> (4,085)
WAY-337236

>  <BAR_CODE_NO> (4,085)
312237

$$$$
WAY-337275
csChFnd80/06171916322D

 18 20  0  0  0  0  0  0  0  0999 V2000
    1.7417    1.7333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2292    2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7417    3.0708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9542    1.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9542    2.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1917    3.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4750    2.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375    3.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375    1.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4750    1.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9042    2.8083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1917    4.0458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8042    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4417    0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6917   -0.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0542   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042   -0.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  5  2  0  0  0  0
  9  4  2  0  0  0  0
 10  1  1  0  0  0  0
 11  9  1  0  0  0  0
 12  6  2  0  0  0  0
 13  6  1  0  0  0  0
 14 10  1  0  0  0  0
 15 10  1  0  0  0  0
 16 15  1  0  0  0  0
 17 14  1  0  0  0  0
 18 17  1  0  0  0  0
  5  3  1  0  0  0  0
  7 11  2  0  0  0  0
 18 16  1  0  0  0  0
M  END
>  <Mol_ID> (4,086)
4086

>  <Formula> (4,086)
C14H16N2O2

>  <MolWeight> (4,086)
244.28904

>  <COMPOUND_NAME> (4,086)
WAY-337275

>  <BAR_CODE_NO> (4,086)
312276

$$$$
WAY-337289
csChFnd80/06171916322D

 20 21  0  0  0  0  0  0  0  0999 V2000
    2.1417   -0.2375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5417    0.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7292    0.5625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5625   -0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8500   -0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9542    1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8792   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4250    0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2750   -0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7250   -0.9292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5625    0.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083    0.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5375    2.0833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7792    1.3708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083    0.9875    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083   -1.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
  9  1  1  0  0  0  0
 10  4  2  0  0  0  0
 11  1  2  0  0  0  0
 12  1  2  0  0  0  0
 13  8  2  0  0  0  0
 14  6  2  0  0  0  0
 15  6  1  0  0  0  0
 16 13  1  0  0  0  0
 17  8  1  0  0  0  0
 18 13  1  0  0  0  0
 19 17  2  0  0  0  0
 20 19  1  0  0  0  0
  7  2  2  0  0  0  0
 18 20  2  0  0  0  0
M  END
>  <Mol_ID> (4,087)
4087

>  <Formula> (4,087)
C13H11FO5S

>  <MolWeight> (4,087)
298.2868432

>  <COMPOUND_NAME> (4,087)
WAY-337289

>  <BAR_CODE_NO> (4,087)
312290

$$$$
WAY-337311
csChFnd80/06171916322D

 30 32  0  0  0  0  0  0  0  0999 V2000
   -2.7899    3.0136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1381    4.1343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1381    1.8964    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0899    3.0136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7899    5.2722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8381    4.1343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7899    0.7584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7416    4.1343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0899    5.2722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2968    2.9619    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1657    5.2308    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1381   -0.3761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0899    0.7584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8036   -0.3761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7899   -1.4795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1519   -1.5140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1381   -2.6002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1481   -1.5140    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8036   -2.6312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4377   -1.5140    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1481   -0.2140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1481   -2.8140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0860   -2.6312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3895   -2.6312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4722   -3.7726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0412   -3.7174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0412   -1.5416    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1205   -4.8554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4308   -4.8554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3205   -1.5416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  7 13  2  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 16 19  2  0  0  0  0
 18 20  1  0  0  0  0
 18 21  2  0  0  0  0
 18 22  2  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  2  0  0  0  0
 24 27  1  0  0  0  0
 25 28  1  0  0  0  0
 26 29  1  0  0  0  0
 27 30  1  0  0  0  0
  8  9  1  0  0  0  0
 17 19  1  0  0  0  0
 28 29  2  0  0  0  0
M  END
>  <Mol_ID> (4,088)
4088

>  <Formula> (4,088)
C21H18N2O6S

>  <MolWeight> (4,088)
426.44242

>  <COMPOUND_NAME> (4,088)
WAY-337311

>  <BAR_CODE_NO> (4,088)
312312

$$$$
WAY-337325
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -1.7896    0.4794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1413    0.1035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4792    0.1725    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8654    1.2242    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4896    0.4794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1413   -0.6482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9792    0.7380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6033    1.3863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1587    0.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4896   -1.0206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7275    0.7380    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9792    2.0380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1587   -0.6482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8104    0.4725    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1033    1.3863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7275    2.0380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4587    0.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1104    0.4725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4587   -0.6516    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7587    0.1001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7587   -0.6516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4070   -1.0275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1104   -1.0275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4070   -1.7758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0553   -0.6516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1070   -1.7758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7553   -2.1516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  2  0  0  0  0
  9 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12 16  2  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 23 26  2  0  0  0  0
 24 27  2  0  0  0  0
  7  8  2  0  0  0  0
 10 13  1  0  0  0  0
 15 16  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (4,089)
4089

>  <Formula> (4,089)
C21H17N3O3

>  <MolWeight> (4,089)
359.37798

>  <COMPOUND_NAME> (4,089)
WAY-337325

>  <BAR_CODE_NO> (4,089)
312326

$$$$
WAY-337333
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -0.3125   -1.0167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708   -0.8167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2500   -1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292   -0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2875   -0.9167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667   -1.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7292   -0.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5125   -1.5792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1125   -0.4542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7500   -0.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.1167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6500    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1292    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0875    0.9833    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708   -0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3125   -1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667   -1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3875   -1.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292   -2.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7292   -0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2875   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6292    0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3333    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8958   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1500   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8958    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  6  1  0  0  0  0
  5  4  1  0  0  0  0
  6  7  1  0  0  0  0
  7  3  2  0  0  0  0
  8  1  2  0  0  0  0
  9  1  2  0  0  0  0
 10  5  1  0  0  0  0
 11  4  2  0  0  0  0
 12 10  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15  2  1  0  0  0  0
 16  2  1  0  0  0  0
 17  3  1  0  0  0  0
 18 19  1  0  0  0  0
 19 17  2  0  0  0  0
 20 21  2  0  0  0  0
 21 10  1  0  0  0  0
 22 20  1  0  0  0  0
 23 15  1  0  0  0  0
 24 16  1  0  0  0  0
 25 24  1  0  0  0  0
 26 23  1  0  0  0  0
 18  6  2  0  0  0  0
 26 25  1  0  0  0  0
 13 22  2  0  0  0  0
M  END
>  <Mol_ID> (4,090)
4090

>  <Formula> (4,090)
C19H21BrN2O3S

>  <MolWeight> (4,090)
437.35064

>  <COMPOUND_NAME> (4,090)
WAY-337333

>  <BAR_CODE_NO> (4,090)
312334

$$$$
WAY-337351
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.3708   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167   -2.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708   -2.2875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.6542   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708   -2.8667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708   -1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4125   -3.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542   -2.2875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4125   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542   -1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167   -1.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9125   -2.8667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167   -2.8667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4125   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9125   -2.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4125   -1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542   -1.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9125   -4.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542   -1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4125   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9125   -1.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4125   -1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  1  2  0  0  0  0
  7  5  1  0  0  0  0
  8  4  1  0  0  0  0
  9  3  1  0  0  0  0
 10 11  2  0  0  0  0
 11  6  1  0  0  0  0
 12  7  2  0  0  0  0
 13  2  1  0  0  0  0
 14  7  1  0  0  0  0
 15  8  2  0  0  0  0
 16  9  1  0  0  0  0
 17  9  2  0  0  0  0
 18 10  1  0  0  0  0
 19 14  1  0  0  0  0
 20 18  2  0  0  0  0
 21 16  2  0  0  0  0
 22 17  1  0  0  0  0
 23 22  2  0  0  0  0
 10  4  1  0  0  0  0
 20 15  1  0  0  0  0
 23 21  1  0  0  0  0
M  END
>  <Mol_ID> (4,091)
4091

>  <Formula> (4,091)
C19H18N2O2

>  <MolWeight> (4,091)
306.35842

>  <COMPOUND_NAME> (4,091)
WAY-337351

>  <BAR_CODE_NO> (4,091)
312352

$$$$
WAY-337352
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   10.0375   -2.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5375   -2.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5375   -2.9042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.0375   -2.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5000   -3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0375   -2.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0000   -3.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5792   -2.9042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0000   -2.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0375   -2.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5375   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5000   -3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5375   -3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0000   -4.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0792   -2.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5000   -2.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0000   -2.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5792   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5000   -4.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0792   -2.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5000   -5.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0000   -2.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5000   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0000   -2.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  1  2  0  0  0  0
  7  5  1  0  0  0  0
  8  4  1  0  0  0  0
  9  3  1  0  0  0  0
 10 11  2  0  0  0  0
 11  6  1  0  0  0  0
 12  7  2  0  0  0  0
 13  2  1  0  0  0  0
 14  7  1  0  0  0  0
 15  8  2  0  0  0  0
 16  9  1  0  0  0  0
 17  9  2  0  0  0  0
 18 10  1  0  0  0  0
 19 14  1  0  0  0  0
 20 18  2  0  0  0  0
 21 19  1  0  0  0  0
 22 16  2  0  0  0  0
 23 17  1  0  0  0  0
 24 23  2  0  0  0  0
 10  4  1  0  0  0  0
 20 15  1  0  0  0  0
 24 22  1  0  0  0  0
M  END
>  <Mol_ID> (4,092)
4092

>  <Formula> (4,092)
C20H20N2O2

>  <MolWeight> (4,092)
320.385

>  <COMPOUND_NAME> (4,092)
WAY-337352

>  <BAR_CODE_NO> (4,092)
312353

$$$$
WAY-337353
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
    0.1542  -20.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7875  -20.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4500  -20.6167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.4042  -20.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4500  -21.3292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542  -19.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833  -21.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833  -20.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000  -20.6167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2958  -19.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9125  -19.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4042  -19.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7875  -19.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7000  -21.3292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833  -19.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6625  -20.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6625  -19.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2958  -20.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7875  -21.3292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833  -22.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6167  -20.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9125  -18.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5458  -19.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000  -19.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7000  -22.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6167  -19.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  1  2  0  0  0  0
  7  5  1  0  0  0  0
  8  3  1  0  0  0  0
  9  4  1  0  0  0  0
 10 18  2  0  0  0  0
 11 10  1  0  0  0  0
 12 13  2  0  0  0  0
 13  6  1  0  0  0  0
 14  7  2  0  0  0  0
 15  8  1  0  0  0  0
 16  8  2  0  0  0  0
 17 15  2  0  0  0  0
 18 16  1  0  0  0  0
 19  2  1  0  0  0  0
 20  7  1  0  0  0  0
 21  9  2  0  0  0  0
 22 11  1  0  0  0  0
 23 11  1  0  0  0  0
 24 12  1  0  0  0  0
 25 20  1  0  0  0  0
 26 24  2  0  0  0  0
 12  4  1  0  0  0  0
 17 10  1  0  0  0  0
 26 21  1  0  0  0  0
M  END
>  <Mol_ID> (4,093)
4093

>  <Formula> (4,093)
C21H23N3O2

>  <MolWeight> (4,093)
349.42622

>  <COMPOUND_NAME> (4,093)
WAY-337353

>  <BAR_CODE_NO> (4,093)
312354

$$$$
WAY-337355
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
    0.4000  -23.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208  -24.1000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.0042  -24.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8333  -23.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6167  -23.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208  -24.8042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000  -23.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458  -25.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2292  -24.1042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8333  -23.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6167  -23.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042  -22.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4500  -24.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042  -24.8167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208  -22.6792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4500  -24.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458  -25.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8500  -23.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4500  -22.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2375  -22.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208  -21.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4625  -26.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0625  -23.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8500  -23.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4708  -26.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0625  -23.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  2  0  0  0  0
  6  2  1  0  0  0  0
  7  1  2  0  0  0  0
  8  6  1  0  0  0  0
  9  5  1  0  0  0  0
 10  4  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
 13  8  2  0  0  0  0
 14  3  1  0  0  0  0
 15 10  1  0  0  0  0
 16  4  2  0  0  0  0
 17  8  1  0  0  0  0
 18  9  2  0  0  0  0
 19 10  2  0  0  0  0
 20 11  1  0  0  0  0
 21 15  1  0  0  0  0
 22 17  1  0  0  0  0
 23 16  1  0  0  0  0
 24 20  2  0  0  0  0
 25 22  1  0  0  0  0
 26 23  2  0  0  0  0
 11  5  1  0  0  0  0
 24 18  1  0  0  0  0
 26 19  1  0  0  0  0
M  END
>  <Mol_ID> (4,094)
4094

>  <Formula> (4,094)
C21H22N2O3

>  <MolWeight> (4,094)
350.41098

>  <COMPOUND_NAME> (4,094)
WAY-337355

>  <BAR_CODE_NO> (4,094)
312356

$$$$
WAY-337359
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
    1.6375   -1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042   -2.6167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542   -1.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167   -1.8000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.1875   -3.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0667   -1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6375   -0.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000   -1.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7792   -1.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5125   -2.6167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0667   -0.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000   -1.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000   -0.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1875   -3.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542   -2.6292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2125   -0.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000   -0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2125   -1.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9458   -0.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000   -1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7875   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000   -4.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208   -4.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9458    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000   -0.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  2  0  0  0  0
  7  1  2  0  0  0  0
  8  4  1  0  0  0  0
  9  6  1  0  0  0  0
 10  5  2  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
 13  8  2  0  0  0  0
 14  8  1  0  0  0  0
 15  5  1  0  0  0  0
 16  3  1  0  0  0  0
 17 18  1  0  0  0  0
 18 14  2  0  0  0  0
 19 13  1  0  0  0  0
 20 17  1  0  0  0  0
 21  9  2  0  0  0  0
 22 11  1  0  0  0  0
 23 15  1  0  0  0  0
 24 15  1  0  0  0  0
 25 20  1  0  0  0  0
 26 22  2  0  0  0  0
 11  6  1  0  0  0  0
 17 19  2  0  0  0  0
 26 21  1  0  0  0  0
M  END
>  <Mol_ID> (4,095)
4095

>  <Formula> (4,095)
C21H22N2O3

>  <MolWeight> (4,095)
350.41098

>  <COMPOUND_NAME> (4,095)
WAY-337359

>  <BAR_CODE_NO> (4,095)
312360

$$$$
WAY-337365
csChFnd80/06171916322D

 28 30  0  0  0  0  0  0  0  0999 V2000
   10.3667   -2.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7375   -2.9000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.7375   -3.6042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9792   -2.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1167   -3.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1292   -2.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5875   -2.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3667   -1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1292   -1.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5042   -1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2042   -2.9042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9000   -1.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5042   -3.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5042   -2.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5875   -1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9792   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9000   -2.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1167   -4.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9792   -3.6167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5042   -0.7667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2792   -1.4792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8167   -2.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2042   -1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5000   -5.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7292   -5.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1167   -0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2667   -0.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8167   -1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  4  2  0  0  0  0
  8  1  2  0  0  0  0
  9  6  1  0  0  0  0
 10  9  2  0  0  0  0
 11  7  1  0  0  0  0
 12 17  2  0  0  0  0
 13  5  2  0  0  0  0
 14  6  2  0  0  0  0
 15 16  2  0  0  0  0
 16  8  1  0  0  0  0
 17 14  1  0  0  0  0
 18  5  1  0  0  0  0
 19  4  1  0  0  0  0
 20 10  1  0  0  0  0
 21 12  1  0  0  0  0
 22 11  2  0  0  0  0
 23 15  1  0  0  0  0
 24 18  1  0  0  0  0
 25 18  1  0  0  0  0
 26 20  1  0  0  0  0
 27 21  1  0  0  0  0
 28 23  2  0  0  0  0
 15  7  1  0  0  0  0
 28 22  1  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <Mol_ID> (4,096)
4096

>  <Formula> (4,096)
C22H24N2O4

>  <MolWeight> (4,096)
380.43696

>  <COMPOUND_NAME> (4,096)
WAY-337365

>  <BAR_CODE_NO> (4,096)
312366

$$$$
WAY-337366
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
    0.5542  -21.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667  -22.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0625  -22.2000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.7792  -21.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0625  -22.9042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542  -21.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6833  -23.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708  -21.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000  -22.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792  -21.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667  -20.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000  -22.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2833  -22.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708  -21.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667  -22.9042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083  -21.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2958  -20.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083  -21.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5208  -20.7792    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958  -23.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0042  -21.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000  -20.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3125  -24.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0042  -21.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3125  -25.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  1  2  0  0  0  0
  7  5  1  0  0  0  0
  8  3  1  0  0  0  0
  9  4  1  0  0  0  0
 10 11  2  0  0  0  0
 11  6  1  0  0  0  0
 12  7  2  0  0  0  0
 13  8  2  0  0  0  0
 14  8  1  0  0  0  0
 15  2  1  0  0  0  0
 16 17  1  0  0  0  0
 17 14  2  0  0  0  0
 18 13  1  0  0  0  0
 19 16  1  0  0  0  0
 20  7  1  0  0  0  0
 21  9  2  0  0  0  0
 22 10  1  0  0  0  0
 23 20  1  0  0  0  0
 24 22  2  0  0  0  0
 25 23  1  0  0  0  0
 10  4  1  0  0  0  0
 16 18  2  0  0  0  0
 24 21  1  0  0  0  0
M  END
>  <Mol_ID> (4,097)
4097

>  <Formula> (4,097)
C20H19ClN2O2

>  <MolWeight> (4,097)
354.83006

>  <COMPOUND_NAME> (4,097)
WAY-337366

>  <BAR_CODE_NO> (4,097)
312367

$$$$
WAY-337368
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    0.8042   -8.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792   -9.4000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.5167   -9.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333   -8.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2292   -8.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667  -10.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8042   -8.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333  -10.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9500   -9.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6208   -8.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2292   -8.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5167   -7.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3500  -10.2042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5167  -10.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792   -7.7292    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458   -9.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6542   -8.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6458  -11.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458   -7.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9500   -7.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0500   -8.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6542   -8.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0500   -8.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  2  0  0  0  0
  6  2  1  0  0  0  0
  7  1  2  0  0  0  0
  8  6  1  0  0  0  0
  9  5  1  0  0  0  0
 10  4  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
 13  8  2  0  0  0  0
 14  3  1  0  0  0  0
 15 10  1  0  0  0  0
 16  4  2  0  0  0  0
 17  9  2  0  0  0  0
 18  8  1  0  0  0  0
 19 10  2  0  0  0  0
 20 11  1  0  0  0  0
 21 16  1  0  0  0  0
 22 20  2  0  0  0  0
 23 21  2  0  0  0  0
 11  5  1  0  0  0  0
 22 17  1  0  0  0  0
 19 23  1  0  0  0  0
M  END
>  <Mol_ID> (4,098)
4098

>  <Formula> (4,098)
C18H15ClN2O2

>  <MolWeight> (4,098)
326.7769

>  <COMPOUND_NAME> (4,098)
WAY-337368

>  <BAR_CODE_NO> (4,098)
312369

$$$$
WAY-337370
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
    0.8042  -22.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792  -23.3167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.5167  -23.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333  -22.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2292  -22.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667  -24.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8042  -22.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6458  -24.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9500  -23.3292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6208  -22.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2292  -22.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5167  -21.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3625  -24.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5167  -24.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792  -21.6542    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458  -23.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6458  -25.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6542  -22.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458  -21.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9500  -21.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708  -25.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708  -26.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0500  -22.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6542  -22.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0958  -27.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0500  -22.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  2  0  0  0  0
  6  2  1  0  0  0  0
  7  1  2  0  0  0  0
  8  6  1  0  0  0  0
  9  5  1  0  0  0  0
 10  4  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
 13  8  2  0  0  0  0
 14  3  1  0  0  0  0
 15 10  1  0  0  0  0
 16  4  2  0  0  0  0
 17  8  1  0  0  0  0
 18  9  2  0  0  0  0
 19 10  2  0  0  0  0
 20 11  1  0  0  0  0
 21 17  1  0  0  0  0
 22 21  1  0  0  0  0
 23 16  1  0  0  0  0
 24 20  2  0  0  0  0
 25 22  1  0  0  0  0
 26 23  2  0  0  0  0
 11  5  1  0  0  0  0
 24 18  1  0  0  0  0
 26 19  1  0  0  0  0
M  END
>  <Mol_ID> (4,099)
4099

>  <Formula> (4,099)
C21H21ClN2O2

>  <MolWeight> (4,099)
368.85664

>  <COMPOUND_NAME> (4,099)
WAY-337370

>  <BAR_CODE_NO> (4,099)
312371

$$$$
WAY-337373
csChFnd80/06171916322D

 32 36  0  0  0  0  0  0  0  0999 V2000
    2.7292   -1.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3667   -0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3667   -1.9542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.5792   -2.1542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5500   -1.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5667   -0.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8167    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167   -0.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6500    0.1333    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.0042   -0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4500   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9000   -2.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9292   -3.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9167   -2.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1500   -5.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1042    0.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6000   -3.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7042   -2.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2292   -3.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1167   -4.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2542   -4.4042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042   -2.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000   -0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500    1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9292    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7792   -5.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000   -0.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4000    1.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2042    2.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0292    2.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8  2  1  0  0  0  0
  9  6  1  0  0  0  0
 10 11  1  0  0  0  0
 11  5  1  0  0  0  0
 12 14  1  0  0  0  0
 13  3  1  0  0  0  0
 14 20  1  0  0  0  0
 15  5  2  0  0  0  0
 16 12  2  0  0  0  0
 17 10  1  0  0  0  0
 18 13  2  0  0  0  0
 19 13  1  0  0  0  0
 20 19  2  0  0  0  0
 21 18  1  0  0  0  0
 22 12  1  0  0  0  0
 23  7  2  0  0  0  0
 24  9  2  0  0  0  0
 25 17  1  0  0  0  0
 26 17  2  0  0  0  0
 27 22  1  0  0  0  0
 28 24  1  0  0  0  0
 29 23  1  0  0  0  0
 30 26  1  0  0  0  0
 31 25  2  0  0  0  0
 32 30  2  0  0  0  0
  8 10  1  0  0  0  0
  7  9  1  0  0  0  0
 21 14  2  0  0  0  0
 29 28  2  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <Mol_ID> (4,100)
4100

>  <Formula> (4,100)
C27H24N2O3

>  <MolWeight> (4,100)
424.49106

>  <COMPOUND_NAME> (4,100)
WAY-337373

>  <BAR_CODE_NO> (4,100)
312374

$$$$
WAY-337379
csChFnd80/06171916322D

 32 36  0  0  0  0  0  0  0  0999 V2000
   -0.9125   -0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292   -0.4542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9125   -1.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333   -0.2500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.6500   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333   -2.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9875   -1.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4125   -1.6542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.1875    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292   -1.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500   -2.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4125   -0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1708   -2.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8875    1.0458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9125   -1.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9000   -0.8000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.8500   -1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0500    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1292   -2.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1500   -2.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0500    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958    0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6708   -2.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3500   -1.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9875   -2.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9125   -3.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708    2.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6958    1.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6708   -2.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1333    2.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8 12  1  0  0  0  0
  9  2  1  0  0  0  0
 10  6  1  0  0  0  0
 11  3  1  0  0  0  0
 12  5  1  0  0  0  0
 13  8  1  0  0  0  0
 14  5  2  0  0  0  0
 15  4  1  0  0  0  0
 16  9  2  0  0  0  0
 17 13  2  0  0  0  0
 18 17  1  0  0  0  0
 19  7  1  0  0  0  0
 20  9  1  0  0  0  0
 21 10  1  0  0  0  0
 22 13  1  0  0  0  0
 23 15  2  0  0  0  0
 24 15  1  0  0  0  0
 25 17  1  0  0  0  0
 26 19  2  0  0  0  0
 27 21  2  0  0  0  0
 28 22  2  0  0  0  0
 29 23  1  0  0  0  0
 30 24  2  0  0  0  0
 31 28  1  0  0  0  0
 32 30  1  0  0  0  0
  8 11  1  0  0  0  0
 10  7  2  0  0  0  0
 29 32  2  0  0  0  0
 27 26  1  0  0  0  0
 31 25  2  0  0  0  0
M  END
>  <Mol_ID> (4,101)
4101

>  <Formula> (4,101)
C27H23FN2O2

>  <MolWeight> (4,101)
426.4821232

>  <COMPOUND_NAME> (4,101)
WAY-337379

>  <BAR_CODE_NO> (4,101)
312380

$$$$
WAY-337429
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
    0.1500   -0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958   -0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333   -0.0917    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.9958   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7875   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1500   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333   -1.4375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5500   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4875   -0.4500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5500   -1.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1333   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1333   -0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2875    0.7208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7875    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5500    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1500    2.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9875   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167    2.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8500    1.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7375    3.3583    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708    2.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5667    0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958    2.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000   -1.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1458   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    0.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4625    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2167   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  7  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  2  0  0  0  0
  7  6  1  0  0  0  0
  8  2  1  0  0  0  0
  9  5  1  0  0  0  0
 10  3  1  0  0  0  0
 11  9  1  0  0  0  0
 12  4  1  0  0  0  0
 13 12  1  0  0  0  0
 14  8  1  0  0  0  0
 15 11  1  0  0  0  0
 16  5  2  0  0  0  0
 17  8  2  0  0  0  0
 18 10  2  0  0  0  0
 19 11  2  0  0  0  0
 20 18  1  0  0  0  0
 21  6  1  0  0  0  0
 22 15  2  0  0  0  0
 23 20  1  0  0  0  0
 24 10  1  0  0  0  0
 25 19  1  0  0  0  0
 26 24  2  0  0  0  0
 27 13  1  0  0  0  0
 28 13  1  0  0  0  0
 29 25  2  0  0  0  0
 30 26  1  0  0  0  0
 31 25  1  0  0  0  0
  2  4  2  0  0  0  0
 14 13  1  0  0  0  0
 20 30  2  0  0  0  0
 29 22  1  0  0  0  0
M  END
>  <Mol_ID> (4,102)
4102

>  <Formula> (4,102)
C25H26ClN3O2

>  <MolWeight> (4,102)
435.94584

>  <COMPOUND_NAME> (4,102)
WAY-337429

>  <BAR_CODE_NO> (4,102)
312430

$$$$
WAY-337484
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
    1.6443   -0.3071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1443   -0.8278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3443   -0.4209    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5029    0.3791    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4202   -0.6761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3547   -1.5347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6823    0.2308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1650    0.7446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0971   -1.2209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8340   -2.0864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4029    0.4239    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3443    1.4515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1236   -1.9278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8005   -1.0761    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5995    1.1308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0650    1.6515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0177   -0.3968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7350   -0.2554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4764    0.1308    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9660    0.4239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6798    0.5515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1798   -0.0071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9350    1.2515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9177    0.1308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6557    1.4136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1660    0.8239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12 16  2  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  2  0  0  0  0
  7  8  2  0  0  0  0
 10 13  2  0  0  0  0
 15 16  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (4,103)
4103

>  <Formula> (4,103)
C20H15N3O3

>  <MolWeight> (4,103)
345.3514

>  <COMPOUND_NAME> (4,103)
WAY-337484

>  <BAR_CODE_NO> (4,103)
312485

$$$$
WAY-337530
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
    0.4375   -1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0542   -1.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833   -1.7667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.6667   -1.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833   -2.4667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4375   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958   -2.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2792   -1.7667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0208   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6667   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0500   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4125   -2.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4125   -1.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958   -0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0208   -1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4125   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0500   -2.4792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6458   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875   -1.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958   -3.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2792   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6458    0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2500   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  1  2  0  0  0  0
  7  5  1  0  0  0  0
  8  3  1  0  0  0  0
  9  4  1  0  0  0  0
 10 17  1  0  0  0  0
 11 12  2  0  0  0  0
 12  6  1  0  0  0  0
 13  7  2  0  0  0  0
 14  8  2  0  0  0  0
 15  8  1  0  0  0  0
 16 14  1  0  0  0  0
 17 15  2  0  0  0  0
 18  2  1  0  0  0  0
 19 10  1  0  0  0  0
 20  9  2  0  0  0  0
 21  7  1  0  0  0  0
 22 11  1  0  0  0  0
 23 19  1  0  0  0  0
 24 19  1  0  0  0  0
 25 22  2  0  0  0  0
 11  4  1  0  0  0  0
 10 16  2  0  0  0  0
 25 20  1  0  0  0  0
M  END
>  <Mol_ID> (4,104)
4104

>  <Formula> (4,104)
C21H22N2O2

>  <MolWeight> (4,104)
334.41158

>  <COMPOUND_NAME> (4,104)
WAY-337530

>  <BAR_CODE_NO> (4,104)
312531

$$$$
WAY-337531
csChFnd80/06171916322D

 29 31  0  0  0  0  0  0  0  0999 V2000
    5.0500   -4.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4167   -5.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6667   -4.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4167   -4.5292    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.8042   -5.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2792   -4.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0500   -3.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8042   -4.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8875   -4.5292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5792   -3.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1875   -5.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9667   -3.1042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2792   -3.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6667   -3.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8042   -3.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000   -4.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000   -3.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5792   -4.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -6.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6667   -5.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000   -4.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9667   -2.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3500   -3.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8875   -3.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4167   -6.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1792   -6.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7292   -3.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5792   -2.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000   -3.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  2  0  0  0  0
  7  1  2  0  0  0  0
  8  4  1  0  0  0  0
  9  6  1  0  0  0  0
 10 18  2  0  0  0  0
 11  5  2  0  0  0  0
 12 10  1  0  0  0  0
 13 14  2  0  0  0  0
 14  7  1  0  0  0  0
 15  8  1  0  0  0  0
 16  8  2  0  0  0  0
 17 15  2  0  0  0  0
 18 16  1  0  0  0  0
 19  5  1  0  0  0  0
 20  3  1  0  0  0  0
 21  9  2  0  0  0  0
 22 12  1  0  0  0  0
 23 12  1  0  0  0  0
 24 13  1  0  0  0  0
 25 19  1  0  0  0  0
 26 19  1  0  0  0  0
 27 23  1  0  0  0  0
 28 22  1  0  0  0  0
 29 24  2  0  0  0  0
 13  6  1  0  0  0  0
 17 10  1  0  0  0  0
 29 21  1  0  0  0  0
M  END
>  <Mol_ID> (4,105)
4105

>  <Formula> (4,105)
C24H29N3O2

>  <MolWeight> (4,105)
391.50596

>  <COMPOUND_NAME> (4,105)
WAY-337531

>  <BAR_CODE_NO> (4,105)
312532

$$$$
WAY-337532
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
    2.5167   -0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9000   -1.3500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.1375   -1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2875   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5167   -0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1375    0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9000   -2.0542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792   -2.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3542   -1.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2875   -0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542   -2.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1375   -2.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1292    0.7708    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.9000    0.0500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792   -1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3542    0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9792   -0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792   -3.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6667    0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9042    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9792   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667   -0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  8  1  0  0  0  0
  8  6  2  0  0  0  0
  9  2  1  0  0  0  0
 10  9  1  0  0  0  0
 11  4  2  0  0  0  0
 12  5  1  0  0  0  0
 13 10  2  0  0  0  0
 14  3  1  0  0  0  0
 15  8  1  0  0  0  0
 16 12  1  0  0  0  0
 17  5  2  0  0  0  0
 18  7  2  0  0  0  0
 19 11  1  0  0  0  0
 20 10  1  0  0  0  0
 21 12  2  0  0  0  0
 22 16  1  0  0  0  0
 23 18  1  0  0  0  0
 24 17  1  0  0  0  0
 25 24  2  0  0  0  0
  4  7  1  0  0  0  0
 23 19  2  0  0  0  0
 21 25  1  0  0  0  0
M  END
>  <Mol_ID> (4,106)
4106

>  <Formula> (4,106)
C19H17ClN2O3

>  <MolWeight> (4,106)
356.80288

>  <COMPOUND_NAME> (4,106)
WAY-337532

>  <BAR_CODE_NO> (4,106)
312533

$$$$
WAY-337533
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   11.5042   -1.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1167   -2.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7375   -1.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8875   -2.0667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.5042   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7292   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1167   -0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8792   -2.7792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2667   -3.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3500   -2.0667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2667   -1.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6500   -2.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6542   -2.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2792   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1167   -2.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1167    0.0500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.0500   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0500   -1.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6542   -0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3500   -0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4292   -0.6375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9542   -1.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2542   -3.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4292    0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9542   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  5  2  0  0  0  0
  8  4  1  0  0  0  0
  9  8  1  0  0  0  0
 10  3  2  0  0  0  0
 11  4  1  0  0  0  0
 12  9  2  0  0  0  0
 13 11  2  0  0  0  0
 14 11  1  0  0  0  0
 15  2  1  0  0  0  0
 16  7  1  0  0  0  0
 17 19  1  0  0  0  0
 18 13  1  0  0  0  0
 19 14  2  0  0  0  0
 20  6  2  0  0  0  0
 21 17  1  0  0  0  0
 22 10  1  0  0  0  0
 23  9  1  0  0  0  0
 24 21  1  0  0  0  0
 25 20  1  0  0  0  0
  3  6  1  0  0  0  0
 17 18  2  0  0  0  0
 25 22  2  0  0  0  0
M  END
>  <Mol_ID> (4,107)
4107

>  <Formula> (4,107)
C19H17ClN2O3

>  <MolWeight> (4,107)
356.80288

>  <COMPOUND_NAME> (4,107)
WAY-337533

>  <BAR_CODE_NO> (4,107)
312534

$$$$
WAY-337534
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
    2.5167   -1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1375   -2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9000   -2.1000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7500   -1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5167   -1.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -1.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1375   -0.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2875   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9000   -2.8042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2875   -1.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6667   -0.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792   -3.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3542   -2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667   -1.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792   -2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542   -2.8042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667   -1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1375   -2.8042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1292    0.0208    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.6667    0.0208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5500   -0.6792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3542   -0.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9792   -1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792   -3.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2875    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5500    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9792   -1.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  5  2  0  0  0  0
  8  3  1  0  0  0  0
  9  3  1  0  0  0  0
 10  8  1  0  0  0  0
 11 10  2  0  0  0  0
 12  9  1  0  0  0  0
 13  4  2  0  0  0  0
 14 17  2  0  0  0  0
 15  8  2  0  0  0  0
 16 12  2  0  0  0  0
 17 15  1  0  0  0  0
 18  2  1  0  0  0  0
 19  7  1  0  0  0  0
 20 11  1  0  0  0  0
 21 14  1  0  0  0  0
 22  6  2  0  0  0  0
 23 13  1  0  0  0  0
 24 12  1  0  0  0  0
 25 20  1  0  0  0  0
 26 21  1  0  0  0  0
 27 22  1  0  0  0  0
  4  6  1  0  0  0  0
 27 23  2  0  0  0  0
 11 14  1  0  0  0  0
M  END
>  <Mol_ID> (4,108)
4108

>  <Formula> (4,108)
C20H19ClN2O4

>  <MolWeight> (4,108)
386.82886

>  <COMPOUND_NAME> (4,108)
WAY-337534

>  <BAR_CODE_NO> (4,108)
312535

$$$$
WAY-337535
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
    2.6042   -2.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2292   -2.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8375   -2.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9792   -2.5542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.6167   -1.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8375   -1.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2292   -1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9792   -3.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3542   -3.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4500   -2.5542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667   -2.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1375   -1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -3.2542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542   -2.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667   -1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1375   -2.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542   -1.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2292   -3.2667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2292   -0.4375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.4625   -1.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4500   -1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0667   -2.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3542   -4.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833   -1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4625   -0.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0667   -1.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  5  2  0  0  0  0
  8  4  1  0  0  0  0
  9  8  1  0  0  0  0
 10  3  2  0  0  0  0
 11  4  1  0  0  0  0
 12 17  1  0  0  0  0
 13  9  2  0  0  0  0
 14 11  2  0  0  0  0
 15 11  1  0  0  0  0
 16 14  1  0  0  0  0
 17 15  2  0  0  0  0
 18  2  1  0  0  0  0
 19  7  1  0  0  0  0
 20 12  1  0  0  0  0
 21  6  2  0  0  0  0
 22 10  1  0  0  0  0
 23  9  1  0  0  0  0
 24 20  1  0  0  0  0
 25 20  1  0  0  0  0
 26 21  1  0  0  0  0
  3  6  1  0  0  0  0
 12 16  2  0  0  0  0
 26 22  2  0  0  0  0
M  END
>  <Mol_ID> (4,109)
4109

>  <Formula> (4,109)
C21H21ClN2O2

>  <MolWeight> (4,109)
368.85664

>  <COMPOUND_NAME> (4,109)
WAY-337535

>  <BAR_CODE_NO> (4,109)
312536

$$$$
WAY-337536
csChFnd80/06171916322D

 28 30  0  0  0  0  0  0  0  0999 V2000
    2.3667   -0.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9875   -1.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7500   -1.3167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6000   -0.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3667   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6000   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9875    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1292   -0.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7375   -2.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1375   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1292   -2.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2042   -1.3292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167   -1.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042   -2.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833   -0.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9875   -2.0292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9792    0.7958    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.5167    0.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7000    0.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2042    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167   -3.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8167   -0.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1292    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7000    0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8167   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042   -3.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  5  2  0  0  0  0
  8  3  1  0  0  0  0
  9  3  1  0  0  0  0
 10  8  1  0  0  0  0
 11 10  2  0  0  0  0
 12  9  1  0  0  0  0
 13  4  2  0  0  0  0
 14 17  2  0  0  0  0
 15  8  2  0  0  0  0
 16 12  2  0  0  0  0
 17 15  1  0  0  0  0
 18  2  1  0  0  0  0
 19  7  1  0  0  0  0
 20 11  1  0  0  0  0
 21 14  1  0  0  0  0
 22  6  2  0  0  0  0
 23 12  1  0  0  0  0
 24 13  1  0  0  0  0
 25 20  1  0  0  0  0
 26 21  1  0  0  0  0
 27 22  1  0  0  0  0
 28 23  1  0  0  0  0
  4  6  1  0  0  0  0
 27 24  2  0  0  0  0
 14 11  1  0  0  0  0
M  END
>  <Mol_ID> (4,110)
4110

>  <Formula> (4,110)
C21H21ClN2O4

>  <MolWeight> (4,110)
400.85544

>  <COMPOUND_NAME> (4,110)
WAY-337536

>  <BAR_CODE_NO> (4,110)
312537

$$$$
WAY-337580
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
    3.3375   -2.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9500   -3.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7042   -3.0542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5542   -2.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7042   -3.7667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0875   -4.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3375   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000   -2.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1667   -3.0542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792   -3.7542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5542   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9500   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4875   -3.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000   -1.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9500   -3.7667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0875   -4.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4875   -1.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792   -2.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792   -1.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7875   -2.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4667   -5.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1667   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542   -1.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4667   -5.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542   -4.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7875   -2.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  1  2  0  0  0  0
  8  3  1  0  0  0  0
  9  4  1  0  0  0  0
 10  6  2  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
 13  8  2  0  0  0  0
 14  8  1  0  0  0  0
 15  2  1  0  0  0  0
 16  6  1  0  0  0  0
 17 14  2  0  0  0  0
 18 13  1  0  0  0  0
 19 17  1  0  0  0  0
 20  9  2  0  0  0  0
 21 16  1  0  0  0  0
 22 11  1  0  0  0  0
 23 19  1  0  0  0  0
 24 21  1  0  0  0  0
 25 21  1  0  0  0  0
 26 22  2  0  0  0  0
  4 11  1  0  0  0  0
 20 26  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (4,111)
4111

>  <Formula> (4,111)
C22H24N2O2

>  <MolWeight> (4,111)
348.43816

>  <COMPOUND_NAME> (4,111)
WAY-337580

>  <BAR_CODE_NO> (4,111)
312581

$$$$
WAY-337583
csChFnd80/06171916322D

 28 30  0  0  0  0  0  0  0  0999 V2000
    2.2667   -2.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875   -2.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -2.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -2.5375    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.2667   -1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875   -1.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -3.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292   -3.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1042   -2.5375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292   -2.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833   -1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -1.1167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042   -3.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0375   -1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167   -2.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167   -1.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833   -2.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875   -3.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875   -0.4042    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.1042   -1.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0167   -4.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7292   -2.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8125   -0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4208   -1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000   -4.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7292   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3875   -5.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  5  2  0  0  0  0
  8  4  1  0  0  0  0
  9  8  1  0  0  0  0
 10  3  2  0  0  0  0
 11  4  1  0  0  0  0
 12 18  2  0  0  0  0
 13 12  1  0  0  0  0
 14  9  2  0  0  0  0
 15 11  1  0  0  0  0
 16 11  2  0  0  0  0
 17 15  2  0  0  0  0
 18 16  1  0  0  0  0
 19  2  1  0  0  0  0
 20  7  1  0  0  0  0
 21  6  2  0  0  0  0
 22  9  1  0  0  0  0
 23 10  1  0  0  0  0
 24 13  1  0  0  0  0
 25 13  1  0  0  0  0
 26 22  1  0  0  0  0
 27 21  1  0  0  0  0
 28 26  1  0  0  0  0
  6  3  1  0  0  0  0
 12 17  1  0  0  0  0
 23 27  2  0  0  0  0
M  END
>  <Mol_ID> (4,112)
4112

>  <Formula> (4,112)
C22H24ClN3O2

>  <MolWeight> (4,112)
397.89786

>  <COMPOUND_NAME> (4,112)
WAY-337583

>  <BAR_CODE_NO> (4,112)
312584

$$$$
WAY-337584
csChFnd80/06171916322D

 28 30  0  0  0  0  0  0  0  0999 V2000
    5.7292   -4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1042   -5.2542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.3500   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9542   -4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000   -4.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7375   -4.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9542   -4.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3500   -3.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1042   -5.9667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4875   -6.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5792   -5.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000   -4.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8667   -5.9542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3500   -5.9542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3500   -3.1292    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.1042   -3.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8792   -5.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5667   -3.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4792   -7.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1875   -4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8792   -3.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1042   -3.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8542   -7.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1875   -4.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8542   -8.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2667   -4.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2375   -8.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2667   -4.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  8  1  0  0  0  0
  8  6  2  0  0  0  0
  9  2  1  0  0  0  0
 10  9  1  0  0  0  0
 11  4  2  0  0  0  0
 12  5  1  0  0  0  0
 13 10  2  0  0  0  0
 14  3  1  0  0  0  0
 15  8  1  0  0  0  0
 16 12  1  0  0  0  0
 17  5  2  0  0  0  0
 18  7  2  0  0  0  0
 19 10  1  0  0  0  0
 20 11  1  0  0  0  0
 21 12  2  0  0  0  0
 22 16  1  0  0  0  0
 23 19  1  0  0  0  0
 24 18  1  0  0  0  0
 25 23  1  0  0  0  0
 26 17  1  0  0  0  0
 27 25  1  0  0  0  0
 28 26  2  0  0  0  0
  7  4  1  0  0  0  0
 20 24  2  0  0  0  0
 21 28  1  0  0  0  0
M  END
>  <Mol_ID> (4,113)
4113

>  <Formula> (4,113)
C22H23ClN2O3

>  <MolWeight> (4,113)
398.88262

>  <COMPOUND_NAME> (4,113)
WAY-337584

>  <BAR_CODE_NO> (4,113)
312585

$$$$
WAY-337585
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
    2.0792   -2.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542   -2.7000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.4542   -3.4042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7000   -2.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3042   -2.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8500   -2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0875   -1.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3042   -1.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8375   -3.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7000   -1.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9292   -2.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8500   -1.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167   -3.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292   -4.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7000   -3.4042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7000   -0.5667    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4542   -1.2792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292   -2.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9167   -1.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5375   -2.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292   -1.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042   -4.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4500   -4.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542   -0.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5375   -1.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708   -2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708   -1.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  2  0  0  0  0
  5  4  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8 10  1  0  0  0  0
  9  3  1  0  0  0  0
 10  7  2  0  0  0  0
 11  5  2  0  0  0  0
 12  6  1  0  0  0  0
 13  9  2  0  0  0  0
 14  9  1  0  0  0  0
 15  4  1  0  0  0  0
 16 10  1  0  0  0  0
 17 12  1  0  0  0  0
 18  6  2  0  0  0  0
 19  8  2  0  0  0  0
 20 11  1  0  0  0  0
 21 12  2  0  0  0  0
 22 14  1  0  0  0  0
 23 14  1  0  0  0  0
 24 17  1  0  0  0  0
 25 19  1  0  0  0  0
 26 18  1  0  0  0  0
 27 26  2  0  0  0  0
  8  5  1  0  0  0  0
 20 25  2  0  0  0  0
 21 27  1  0  0  0  0
M  END
>  <Mol_ID> (4,114)
4114

>  <Formula> (4,114)
C21H21ClN2O3

>  <MolWeight> (4,114)
384.85604

>  <COMPOUND_NAME> (4,114)
WAY-337585

>  <BAR_CODE_NO> (4,114)
312586

$$$$
WAY-337586
csChFnd80/06171916322D

 28 30  0  0  0  0  0  0  0  0999 V2000
    2.3792   -4.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9875   -4.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6000   -4.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7500   -4.7167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.3792   -3.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6000   -3.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9875   -3.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7500   -5.4292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1292   -5.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2042   -4.7167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1375   -4.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167   -5.4167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292   -4.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1375   -3.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9875   -5.4167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9875   -2.6042    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0625   -3.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0625   -4.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292   -3.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000   -3.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6833   -3.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1292   -6.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8167   -4.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958   -2.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042   -6.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8167   -3.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042   -7.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1000   -7.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  5  2  0  0  0  0
  8  4  1  0  0  0  0
  9  8  1  0  0  0  0
 10  3  2  0  0  0  0
 11  4  1  0  0  0  0
 12  9  2  0  0  0  0
 13 11  2  0  0  0  0
 14 11  1  0  0  0  0
 15  2  1  0  0  0  0
 16  7  1  0  0  0  0
 17 19  1  0  0  0  0
 18 13  1  0  0  0  0
 19 14  2  0  0  0  0
 20  6  2  0  0  0  0
 21 17  1  0  0  0  0
 22  9  1  0  0  0  0
 23 10  1  0  0  0  0
 24 21  1  0  0  0  0
 25 22  1  0  0  0  0
 26 20  1  0  0  0  0
 27 25  1  0  0  0  0
 28 27  1  0  0  0  0
  6  3  1  0  0  0  0
 18 17  2  0  0  0  0
 23 26  2  0  0  0  0
M  END
>  <Mol_ID> (4,115)
4115

>  <Formula> (4,115)
C22H23ClN2O3

>  <MolWeight> (4,115)
398.88262

>  <COMPOUND_NAME> (4,115)
WAY-337586

>  <BAR_CODE_NO> (4,115)
312587

$$$$
WAY-337587
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
    2.4875   -3.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1042   -4.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7167   -3.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8667   -4.0667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4875   -3.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7167   -3.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1042   -2.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8542   -4.7792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2500   -5.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3292   -4.0667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542   -3.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292   -4.7667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6500   -4.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542   -3.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1042   -4.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1000   -1.9375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0375   -3.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6500   -2.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0375   -3.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3292   -2.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -5.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500   -3.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5708   -2.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6167   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9375   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6167   -6.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  5  2  0  0  0  0
  8  4  1  0  0  0  0
  9  8  1  0  0  0  0
 10  3  2  0  0  0  0
 11  4  1  0  0  0  0
 12  9  2  0  0  0  0
 13 11  2  0  0  0  0
 14 11  1  0  0  0  0
 15  2  1  0  0  0  0
 16  7  1  0  0  0  0
 17 13  1  0  0  0  0
 18 14  2  0  0  0  0
 19 18  1  0  0  0  0
 20  6  2  0  0  0  0
 21  9  1  0  0  0  0
 22 10  1  0  0  0  0
 23 19  1  0  0  0  0
 24 21  1  0  0  0  0
 25 20  1  0  0  0  0
 26 24  1  0  0  0  0
  6  3  1  0  0  0  0
 22 25  2  0  0  0  0
 17 19  2  0  0  0  0
M  END
>  <Mol_ID> (4,116)
4116

>  <Formula> (4,116)
C21H21ClN2O2

>  <MolWeight> (4,116)
368.85664

>  <COMPOUND_NAME> (4,116)
WAY-337587

>  <BAR_CODE_NO> (4,116)
312588

$$$$
WAY-337588
csChFnd80/06171916322D

 29 31  0  0  0  0  0  0  0  0999 V2000
    9.8000  -22.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4167  -23.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1667  -23.2875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.0292  -22.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8000  -22.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0292  -22.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4042  -21.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5542  -22.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1667  -24.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5542  -22.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9500  -21.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5500  -24.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6375  -23.2875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3292  -22.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9500  -23.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9292  -24.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3375  -22.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4167  -24.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4042  -21.1542    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.9375  -21.1542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7042  -21.8667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6375  -21.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5500  -25.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2500  -22.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5500  -20.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7042  -21.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9167  -25.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2500  -22.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9167  -26.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  5  2  0  0  0  0
  8  3  1  0  0  0  0
  9  3  1  0  0  0  0
 10  8  1  0  0  0  0
 11 10  2  0  0  0  0
 12  9  1  0  0  0  0
 13  4  2  0  0  0  0
 14 17  2  0  0  0  0
 15  8  2  0  0  0  0
 16 12  2  0  0  0  0
 17 15  1  0  0  0  0
 18  2  1  0  0  0  0
 19  7  1  0  0  0  0
 20 11  1  0  0  0  0
 21 14  1  0  0  0  0
 22  6  2  0  0  0  0
 23 12  1  0  0  0  0
 24 13  1  0  0  0  0
 25 20  1  0  0  0  0
 26 21  1  0  0  0  0
 27 23  1  0  0  0  0
 28 22  1  0  0  0  0
 29 27  1  0  0  0  0
  6  4  1  0  0  0  0
 24 28  2  0  0  0  0
 11 14  1  0  0  0  0
M  END
>  <Mol_ID> (4,117)
4117

>  <Formula> (4,117)
C22H23ClN2O4

>  <MolWeight> (4,117)
414.88202

>  <COMPOUND_NAME> (4,117)
WAY-337588

>  <BAR_CODE_NO> (4,117)
312589

$$$$
WAY-337647
csChFnd80/06171916322D

 21 24  0  0  0  0  0  0  0  0999 V2000
    4.1667   -2.2542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.9542   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1167   -3.0500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4375   -2.6667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4542   -1.8500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.7500   -2.2542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.5500   -2.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9542   -3.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2667   -2.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4542   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4542   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7500   -3.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6792   -1.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2042   -1.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7375   -0.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000   -1.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1667   -0.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9042   -1.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.6667   -3.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000   -3.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9042   -2.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7  3  1  0  0  0  0
  8  3  1  0  0  0  0
  9  4  1  0  0  0  0
 10  3  1  0  0  0  0
 11  5  1  0  0  0  0
 12  6  1  0  0  0  0
 13  9  1  0  0  0  0
 14  2  2  0  0  0  0
 15 11  2  0  0  0  0
 16 13  2  0  0  0  0
 17 11  1  0  0  0  0
 18 16  1  0  0  0  0
 19  9  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
  8  4  1  0  0  0  0
  6  7  1  0  0  0  0
 10 12  2  0  0  0  0
 21 16  1  0  0  0  0
M  END
>  <Mol_ID> (4,118)
4118

>  <Formula> (4,118)
C15H12ClNO4

>  <MolWeight> (4,118)
305.71308

>  <COMPOUND_NAME> (4,118)
WAY-337647

>  <BAR_CODE_NO> (4,118)
312648

$$$$
WAY-337700
csChFnd80/06171916322D

 22 25  0  0  0  0  0  0  0  0999 V2000
    5.1125   -4.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1125   -4.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8250   -3.6042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.8250   -5.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5417   -4.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4000   -3.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4000   -5.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8250   -2.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6792   -4.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750   -4.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5417   -4.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9667   -3.6167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9542   -5.2750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5500   -2.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2625   -5.2667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2625   -2.7792    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.1125   -2.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2417   -4.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2417   -4.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5500   -1.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1042   -1.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8250   -1.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5 11  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  3  1  0  0  0  0
  9  6  2  0  0  0  0
 10  9  1  0  0  0  0
 11  3  1  0  0  0  0
 12  9  1  0  0  0  0
 13 10  1  0  0  0  0
 14  8  2  0  0  0  0
 15  5  2  0  0  0  0
 16 14  1  0  0  0  0
 17  8  1  0  0  0  0
 18 12  1  0  0  0  0
 19 18  1  0  0  0  0
 20 14  1  0  0  0  0
 21 17  2  0  0  0  0
 22 21  1  0  0  0  0
  7 10  2  0  0  0  0
  4  5  1  0  0  0  0
 19 13  1  0  0  0  0
 20 22  2  0  0  0  0
M  END
>  <Mol_ID> (4,119)
4119

>  <Formula> (4,119)
C17H14ClNO3

>  <MolWeight> (4,119)
315.75096

>  <COMPOUND_NAME> (4,119)
WAY-337700

>  <BAR_CODE_NO> (4,119)
312701

$$$$
WAY-337701
csChFnd80/06171916322D

 22 25  0  0  0  0  0  0  0  0999 V2000
    5.1125   -4.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1125   -4.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8250   -3.6042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.8250   -5.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5417   -4.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4000   -3.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4000   -5.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8250   -2.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6792   -4.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750   -4.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5417   -4.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9667   -3.6167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9542   -5.2750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5500   -2.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2625   -5.2667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2625   -2.7792    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.1125   -2.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2417   -4.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2417   -4.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5500   -1.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1042   -1.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8250   -1.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5 11  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  3  1  0  0  0  0
  9  6  2  0  0  0  0
 10  9  1  0  0  0  0
 11  3  1  0  0  0  0
 12  9  1  0  0  0  0
 13 10  1  0  0  0  0
 14  8  2  0  0  0  0
 15  5  2  0  0  0  0
 16 14  1  0  0  0  0
 17  8  1  0  0  0  0
 18 12  1  0  0  0  0
 19 18  1  0  0  0  0
 20 14  1  0  0  0  0
 21 17  2  0  0  0  0
 22 21  1  0  0  0  0
  7 10  2  0  0  0  0
  4  5  1  0  0  0  0
 19 13  1  0  0  0  0
 20 22  2  0  0  0  0
M  END
>  <Mol_ID> (4,120)
4120

>  <Formula> (4,120)
C17H14BrNO3

>  <MolWeight> (4,120)
360.20196

>  <COMPOUND_NAME> (4,120)
WAY-337701

>  <BAR_CODE_NO> (4,120)
312702

$$$$
WAY-337838
csChFnd80/06171916322D

 28 30  0  0  0  0  0  0  0  0999 V2000
   -7.2417   13.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8292   10.4667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -8.8417   14.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2292   11.4042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
  -10.4167   11.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4167   13.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7542    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6333   10.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8625   16.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1917    6.7375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3917    6.7625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0458   11.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6208    8.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6458   14.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4333    8.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9792   10.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0458    7.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4583   10.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0042   14.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7500    3.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8125    7.8125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1417    1.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3917    4.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7542    2.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7750    8.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1583   -0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.5792   11.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.5917   13.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8  4  1  0  0  0  0
  9  3  2  0  0  0  0
 10  7  2  0  0  0  0
 11  7  1  0  0  0  0
 12  8  1  0  0  0  0
 13  8  2  0  0  0  0
 14  1  1  0  0  0  0
 15 17  2  0  0  0  0
 16  5  1  0  0  0  0
 17 13  1  0  0  0  0
 18 12  2  0  0  0  0
 19  6  1  0  0  0  0
 20 23  1  0  0  0  0
 21 15  1  0  0  0  0
 22 24  1  0  0  0  0
 23 11  1  0  0  0  0
 24 20  1  0  0  0  0
 25 21  1  0  0  0  0
 26 22  1  0  0  0  0
 27 16  2  0  0  0  0
 28 19  2  0  0  0  0
  5  6  2  0  0  0  0
 15 18  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (4,121)
4121

>  <Formula> (4,121)
C22H26N2O4

>  <MolWeight> (4,121)
382.45284

>  <COMPOUND_NAME> (4,121)
WAY-337838

>  <BAR_CODE_NO> (4,121)
312839

$$$$
WAY-337915
csChFnd80/06171916322D

 29 31  0  0  0  0  0  0  0  0999 V2000
   -4.6000    6.8167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.6875    5.7167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6875    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4917    5.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6000    2.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5167    3.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6000    9.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958    6.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4083    6.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958    2.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5167    7.9083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7000   10.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4083    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4917   10.1125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958    8.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1292    5.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3125    5.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0042    8.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9417   14.1292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3125    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417   10.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0042    6.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2125    6.7917    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.9375   10.1125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -9.7208   12.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6792   10.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9125   12.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7875   16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.1167   14.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  6  1  0  0  0  0
  6  4  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  4  2  0  0  0  0
 10  3  2  0  0  0  0
 11  1  1  0  0  0  0
 12  7  2  0  0  0  0
 13  6  2  0  0  0  0
 14  7  1  0  0  0  0
 15  8  1  0  0  0  0
 16  8  2  0  0  0  0
 17  9  1  0  0  0  0
 18 22  2  0  0  0  0
 19 27  1  0  0  0  0
 20 17  2  0  0  0  0
 21 15  2  0  0  0  0
 22 16  1  0  0  0  0
 23 17  1  0  0  0  0
 24 18  1  0  0  0  0
 25 26  1  0  0  0  0
 26 14  1  0  0  0  0
 27 25  1  0  0  0  0
 28 19  1  0  0  0  0
 29 19  1  0  0  0  0
  3  5  1  0  0  0  0
 20 13  1  0  0  0  0
 21 18  1  0  0  0  0
M  END
>  <Mol_ID> (4,122)
4122

>  <Formula> (4,122)
C20H22BrClN4O3

>  <MolWeight> (4,122)
481.77068

>  <COMPOUND_NAME> (4,122)
WAY-337915

>  <BAR_CODE_NO> (4,122)
312916

$$$$
WAY-382673-A
csChFnd80/06171916322D

 13 14  0  0  0  0  0  0  0  0999 V2000
    5.2500   -2.5125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8917   -1.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2875   -3.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6917   -2.2125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0167   -3.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5542   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0667   -4.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000   -1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5917   -3.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7667   -1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6292   -4.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3667   -4.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8042   -4.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  5  2  0  0  0  0
  8  2  1  0  0  0  0
  9  3  2  0  0  0  0
 10  6  1  0  0  0  0
 11  9  1  0  0  0  0
 12 11  2  0  0  0  0
 13  7  1  0  0  0  0
  8 10  1  0  0  0  0
  7 12  1  0  0  0  0
M  END
>  <Mol_ID> (4,123)
4123

>  <Formula> (4,123)
C11H14N2

>  <MolWeight> (4,123)
174.24226

>  <COMPOUND_NAME> (4,123)
WAY-382673-A

>  <BAR_CODE_NO> (4,123)
90462847

$$$$
WAY-385629
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
    5.4042   -5.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3250   -4.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5125   -6.0250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0292   -7.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9917   -5.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4875   -6.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3167  -10.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9917   -5.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5042   -6.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0875   -7.1542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5000   -8.0667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.7625   -9.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4917   -6.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5417   -4.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8167  -11.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9792   -7.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2625   -8.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7042   -9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6500   -8.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9875   -7.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3792  -10.7375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7042   -8.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1417   -8.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9417  -11.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -11.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  9  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7 12  1  0  0  0  0
  8  5  1  0  0  0  0
  9 13  1  0  0  0  0
 10  4  1  0  0  0  0
 11  4  2  0  0  0  0
 12 18  2  0  0  0  0
 13  8  2  0  0  0  0
 14  1  2  0  0  0  0
 15  7  2  0  0  0  0
 16  6  1  0  0  0  0
 17 22  2  0  0  0  0
 18 23  1  0  0  0  0
 19 10  1  0  0  0  0
 20 16  2  0  0  0  0
 21  7  1  0  0  0  0
 22 19  1  0  0  0  0
 23 19  2  0  0  0  0
 24 21  1  0  0  0  0
 25 24  1  0  0  0  0
  5  6  2  0  0  0  0
 13 20  1  0  0  0  0
 17 12  1  0  0  0  0
M  END
>  <Mol_ID> (4,124)
4124

>  <Formula> (4,124)
C17H16N4O3S

>  <MolWeight> (4,124)
356.39894

>  <COMPOUND_NAME> (4,124)
WAY-385629

>  <BAR_CODE_NO> (4,124)
90446047

$$$$
WAY-611420
csChFnd80/06171916322D

 33 36  0  0  0  0  0  0  0  0999 V2000
   -2.0875   -0.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5708    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5708   -0.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2625   -0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3875   -0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3583   -0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3583    0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   -0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8500   -0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0250   -0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8500    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0250    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6250    0.5708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3208    1.3083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3208   -1.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6250   -0.8625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8625    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8625   -0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6875    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6875   -0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1000    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2625    1.2833    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.3875   -1.5792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0708    0.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0708   -0.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1000   -0.8625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1000    1.9958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0250   -2.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6875   -1.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6875    2.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7833   -0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7833    0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5 12  1  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  4  2  0  0  0  0
 10  9  1  0  0  0  0
 11  4  1  0  0  0  0
 12 11  2  0  0  0  0
 13  8  1  0  0  0  0
 14 13  1  0  0  0  0
 15  2  2  0  0  0  0
 16  3  2  0  0  0  0
 17  8  2  0  0  0  0
 18 14  2  0  0  0  0
 19 14  1  0  0  0  0
 20 18  1  0  0  0  0
 21 19  2  0  0  0  0
 22 21  1  0  0  0  0
 23 11  1  0  0  0  0
 24 10  1  0  0  0  0
 25  7  1  0  0  0  0
 26  6  1  0  0  0  0
 27 21  1  0  0  0  0
 28 20  1  0  0  0  0
 29 24  1  0  0  0  0
 30 27  1  0  0  0  0
 31 28  1  0  0  0  0
 32 26  2  0  0  0  0
 33 25  2  0  0  0  0
  6  7  2  0  0  0  0
  5 10  2  0  0  0  0
 32 33  1  0  0  0  0
 22 20  2  0  0  0  0
M  END
>  <Mol_ID> (4,125)
4125

>  <Formula> (4,125)
C24H19ClN2O6

>  <MolWeight> (4,125)
466.87046

>  <COMPOUND_NAME> (4,125)
WAY-611420

>  <BAR_CODE_NO> (4,125)
90445272

$$$$
WAY-611430
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -2.9711   -0.9638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9711    0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0090   -1.5224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9332   -1.5224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0090    0.7086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9332    0.7086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0366   -0.9638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0090   -2.6259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8952   -0.9638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0366    0.1396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8952    0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0642    0.6741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8979    0.1017    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0642    1.7638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8599    0.6362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8979   -1.0018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8703    1.7396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8462   -1.5466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9324    2.3120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8324    2.2982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8703   -2.6638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8082   -1.0018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9324    3.4017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8324    3.3913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8220   -3.1983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7599   -1.5362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8703    3.9741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7944   -2.6397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  2  0  0  0  0
 18 21  2  0  0  0  0
 18 22  1  0  0  0  0
 19 23  2  0  0  0  0
 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
 22 26  2  0  0  0  0
 23 27  1  0  0  0  0
 25 28  2  0  0  0  0
  7 10  2  0  0  0  0
  9 11  1  0  0  0  0
 24 27  2  0  0  0  0
 26 28  1  0  0  0  0
M  END
>  <Mol_ID> (4,126)
4126

>  <Formula> (4,126)
C24H19NO3

>  <MolWeight> (4,126)
369.41256

>  <COMPOUND_NAME> (4,126)
WAY-611430

>  <BAR_CODE_NO> (4,126)
90445282

$$$$
WAY-611545
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -1.1708    0.5625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708    2.2125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583    0.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583    1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542    0.5625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8875    0.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8875    1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667   -0.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667   -1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6875   -0.2625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542   -0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6875   -1.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542    2.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6000    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6000    2.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6875   -2.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3125    1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3125    0.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1167   -1.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -3.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1167   -2.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  3  1  0  0  0  0
  6  1  2  0  0  0  0
  7  6  1  0  0  0  0
  8 11  1  0  0  0  0
  9  8  1  0  0  0  0
 10  8  2  0  0  0  0
 11  5  1  0  0  0  0
 12  9  1  0  0  0  0
 13  4  1  0  0  0  0
 14  6  1  0  0  0  0
 15  7  1  0  0  0  0
 16 12  1  0  0  0  0
 17 12  1  0  0  0  0
 18 19  1  0  0  0  0
 19 14  2  0  0  0  0
 20 17  1  0  0  0  0
 21 16  1  0  0  0  0
 22 20  1  0  0  0  0
  2  4  1  0  0  0  0
 18 15  2  0  0  0  0
 22 21  1  0  0  0  0
M  END
>  <Mol_ID> (4,127)
4127

>  <Formula> (4,127)
C17H21N3OS

>  <MolWeight> (4,127)
315.43314

>  <COMPOUND_NAME> (4,127)
WAY-611545

>  <BAR_CODE_NO> (4,127)
90445401

$$$$
WAY-611565
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -1.3458    0.1458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417    0.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583   -0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458   -1.1917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6167    0.9083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9292    0.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1250   -0.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1250   -0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9292    1.5708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125    1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6167   -0.5250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333   -0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8375    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8375   -1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5583   -0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5583   -0.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5 10  1  0  0  0  0
  6  2  2  0  0  0  0
  7  1  1  0  0  0  0
  8  7  2  0  0  0  0
  9  2  1  0  0  0  0
 10 15  1  0  0  0  0
 11  6  1  0  0  0  0
 12  9  1  0  0  0  0
 13 10  2  0  0  0  0
 14  3  1  0  0  0  0
 15 14  1  0  0  0  0
 16  7  1  0  0  0  0
 17  8  1  0  0  0  0
 18 19  1  0  0  0  0
 19 16  2  0  0  0  0
  4  8  1  0  0  0  0
 18 17  2  0  0  0  0
 12 11  2  0  0  0  0
M  END
>  <Mol_ID> (4,128)
4128

>  <Formula> (4,128)
C13H11N3OS2

>  <MolWeight> (4,128)
289.37594

>  <COMPOUND_NAME> (4,128)
WAY-611565

>  <BAR_CODE_NO> (4,128)
90445422

$$$$
WAY-611585
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
    2.5917   -0.7792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5000    1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0208    1.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1500   -0.1667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2833    1.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5000    2.3708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0417   -1.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2458    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2833    2.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2042   -1.3292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9792   -0.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208   -1.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4375    0.0833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792   -1.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7958   -0.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1750   -0.2667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2542    1.0583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9542   -0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8917    0.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0000    0.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3000   -2.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4417    1.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5042    0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7417   -2.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9417   -2.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0000    2.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7208    1.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7208    2.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  8  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8 15  1  0  0  0  0
  9  5  2  0  0  0  0
 10  1  2  0  0  0  0
 11  1  2  0  0  0  0
 12  7  1  0  0  0  0
 13 14  1  0  0  0  0
 14 16  1  0  0  0  0
 15 22  1  0  0  0  0
 16 12  2  0  0  0  0
 17  8  2  0  0  0  0
 18 13  2  0  0  0  0
 19 25  1  0  0  0  0
 20  4  1  0  0  0  0
 21  4  1  0  0  0  0
 22 13  1  0  0  0  0
 23  5  1  0  0  0  0
 24  7  2  0  0  0  0
 25 21  1  0  0  0  0
 26 20  1  0  0  0  0
 27 24  1  0  0  0  0
 28 27  2  0  0  0  0
 29  9  1  0  0  0  0
 30 23  2  0  0  0  0
 31 30  1  0  0  0  0
 19 26  1  0  0  0  0
 28 16  1  0  0  0  0
  9  6  1  0  0  0  0
 31 29  2  0  0  0  0
M  END
>  <Mol_ID> (4,129)
4129

>  <Formula> (4,129)
C20H20N4O6S

>  <MolWeight> (4,129)
444.461

>  <COMPOUND_NAME> (4,129)
WAY-611585

>  <BAR_CODE_NO> (4,129)
90445443

$$$$
WAY-611606
csChFnd80/06171916322D

 25 29  0  0  0  0  0  0  0  0999 V2000
    0.2125   -0.1542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9250   -0.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5708   -0.4167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2125    0.6625    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.0583    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6417   -0.1542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5708    0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9250    1.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6417    0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6417   -0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2125   -0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9250   -2.2250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8833    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1208   -0.4667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6417   -1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2125   -1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2958   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9250    1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542    1.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9250   -3.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2958    0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5333    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1208    0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6417    2.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542    1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  2  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8  4  1  0  0  0  0
  9  8  2  0  0  0  0
 10  2  1  0  0  0  0
 11  2  1  0  0  0  0
 12 16  1  0  0  0  0
 13  5  1  0  0  0  0
 14 17  1  0  0  0  0
 15 10  1  0  0  0  0
 16 11  1  0  0  0  0
 17 13  2  0  0  0  0
 18  8  1  0  0  0  0
 19  9  1  0  0  0  0
 20 12  1  0  0  0  0
 21 13  1  0  0  0  0
 22 23  1  0  0  0  0
 23 21  2  0  0  0  0
 24 18  2  0  0  0  0
 25 24  1  0  0  0  0
  5  7  1  0  0  0  0
  9  6  1  0  0  0  0
 15 12  1  0  0  0  0
 19 25  2  0  0  0  0
 22 14  2  0  0  0  0
M  END
>  <Mol_ID> (4,130)
4130

>  <Formula> (4,130)
C20H22N4O

>  <MolWeight> (4,130)
334.41488

>  <COMPOUND_NAME> (4,130)
WAY-611606

>  <BAR_CODE_NO> (4,130)
90445464

$$$$
WAY-611612
csChFnd80/06171916322D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -0.4317    0.1870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1525   -0.6838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2850    0.6995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0308    0.1870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7475   -0.6838    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6900   -1.4338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3150    0.4245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6150    1.2745    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3317   -2.2463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0317   -0.1130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5150    1.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9100    0.4870    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7692    0.4245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5683   -2.3338    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9475    1.6537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1308    2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8525   -2.9963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0850    1.3537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  2  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9  6  1  0  0  0  0
 10  7  2  0  0  0  0
 11  8  1  0  0  0  0
 12  4  1  0  0  0  0
 13 10  1  0  0  0  0
 14  9  2  0  0  0  0
 15 18  1  0  0  0  0
 16 15  2  0  0  0  0
 17  9  1  0  0  0  0
 18 12  1  0  0  0  0
  4  5  1  0  0  0  0
 13 11  2  0  0  0  0
M  END
>  <Mol_ID> (4,131)
4131

>  <Formula> (4,131)
C12H12N2O2S2

>  <MolWeight> (4,131)
280.36588

>  <COMPOUND_NAME> (4,131)
WAY-611612

>  <BAR_CODE_NO> (4,131)
90445470

$$$$
WAY-611631
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
    0.2792    2.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292    1.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0500    0.9083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167    1.3208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958   -4.2917    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.5292    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167    0.4958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7625    3.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083    2.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792    3.6958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667   -3.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083    3.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958   -4.4667    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.3625   -4.9042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792   -0.5417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667   -3.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4875   -2.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292   -1.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5750   -1.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333   -2.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1292   -2.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208    2.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208    3.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9375    2.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9375    3.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  2  2  0  0  0  0
  5 11  1  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8  1  2  0  0  0  0
  9  1  1  0  0  0  0
 10  8  1  0  0  0  0
 11 16  1  0  0  0  0
 12  9  2  0  0  0  0
 13  5  1  0  0  0  0
 14  5  2  0  0  0  0
 15  6  1  0  0  0  0
 16 21  2  0  0  0  0
 17 20  1  0  0  0  0
 18 15  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 19  1  0  0  0  0
 22  9  1  0  0  0  0
 23 12  1  0  0  0  0
 24 22  2  0  0  0  0
 25 24  1  0  0  0  0
 12 10  1  0  0  0  0
  7  6  2  0  0  0  0
 25 23  2  0  0  0  0
 11 17  2  0  0  0  0
M  END
>  <Mol_ID> (4,132)
4132

>  <Formula> (4,132)
C17H12N4O3S

>  <MolWeight> (4,132)
352.36718

>  <COMPOUND_NAME> (4,132)
WAY-611631

>  <BAR_CODE_NO> (4,132)
90445492

$$$$
WAY-611724
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
    2.4375   -0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9250   -0.1792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9250   -1.5167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7042   -1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    1.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7042   -0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3375    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6125   -0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2750   -0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    2.7208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5125    0.5833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8625   -0.8500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    1.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4167   -1.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500   -0.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8625    0.5833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4167   -0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2000   -0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2000   -1.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1000   -0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3375    2.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0375   -0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9875    2.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1375   -1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750   -1.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750   -0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1375   -0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8125    2.0083    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    2.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8500   -1.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  7  1  0  0  0  0
  6  2  1  0  0  0  0
  7 11  1  0  0  0  0
  8  1  1  0  0  0  0
  9 12  1  0  0  0  0
 10 21  2  0  0  0  0
 11 20  1  0  0  0  0
 12 22  1  0  0  0  0
 13  5  2  0  0  0  0
 14  4  1  0  0  0  0
 15  7  2  0  0  0  0
 16  9  2  0  0  0  0
 17  6  1  0  0  0  0
 18  8  1  0  0  0  0
 19  8  2  0  0  0  0
 20  9  1  0  0  0  0
 21  5  1  0  0  0  0
 22 25  2  0  0  0  0
 23 13  1  0  0  0  0
 24 14  2  0  0  0  0
 25 19  1  0  0  0  0
 26 18  2  0  0  0  0
 27 17  2  0  0  0  0
 28 23  1  0  0  0  0
 29 10  1  0  0  0  0
 30 24  1  0  0  0  0
  4  6  2  0  0  0  0
 22 26  1  0  0  0  0
 27 24  1  0  0  0  0
 29 23  2  0  0  0  0
M  END
>  <Mol_ID> (4,133)
4133

>  <Formula> (4,133)
C22H16BrN3O3S

>  <MolWeight> (4,133)
482.34974

>  <COMPOUND_NAME> (4,133)
WAY-611724

>  <BAR_CODE_NO> (4,133)
90445587

$$$$
WAY-611917
csChFnd80/06171916322D

 24 27  0  0  0  0  0  0  0  0999 V2000
    0.1042    1.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8917    1.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3750    1.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042    2.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8917    2.4708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083    0.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083    2.6333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3250    1.3958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083    0.1583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417    0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3250    2.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083   -1.4917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917   -0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9542    0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3250   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3250   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8500   -1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542   -1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083   -2.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0375   -1.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9042   -2.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3250   -2.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0375   -2.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  2  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8  6  2  0  0  0  0
  9  6  1  0  0  0  0
 10  2  1  0  0  0  0
 11  8  1  0  0  0  0
 12 16  2  0  0  0  0
 13 10  2  0  0  0  0
 14 10  1  0  0  0  0
 15  9  1  0  0  0  0
 16 15  1  0  0  0  0
 17 13  1  0  0  0  0
 18 14  2  0  0  0  0
 19 18  1  0  0  0  0
 20 12  1  0  0  0  0
 21 16  1  0  0  0  0
 22 19  1  0  0  0  0
 23 24  1  0  0  0  0
 24 21  2  0  0  0  0
  5  3  1  0  0  0  0
 11  7  2  0  0  0  0
 19 17  2  0  0  0  0
 23 20  2  0  0  0  0
M  END
>  <Mol_ID> (4,134)
4134

>  <Formula> (4,134)
C19H16N4S

>  <MolWeight> (4,134)
332.42214

>  <COMPOUND_NAME> (4,134)
WAY-611917

>  <BAR_CODE_NO> (4,134)
90445782

$$$$
WAY-611956
csChFnd80/06171916322D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -0.2660    0.5465    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2715   -0.7077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1340   -0.0952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8840   -0.0785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6535    1.1798    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0215   -0.6910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9035    0.1465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3715    0.9423    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9173   -1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3840   -0.0327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2202   -0.7452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1715   -1.3827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4173   -1.3327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3048   -2.0202    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.3660    1.1548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8077    1.7048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7535    0.5673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4660    1.4548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4410    0.7548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  2  0  0  0  0
  8  1  2  0  0  0  0
  9 12  1  0  0  0  0
 10  6  2  0  0  0  0
 11  3  1  0  0  0  0
 12 11  2  0  0  0  0
 13  6  1  0  0  0  0
 14  9  1  0  0  0  0
 15  5  1  0  0  0  0
 16 15  1  0  0  0  0
 17 15  1  0  0  0  0
 18 16  1  0  0  0  0
 19 17  1  0  0  0  0
 19 18  1  0  0  0  0
  2  9  2  0  0  0  0
M  END
>  <Mol_ID> (4,135)
4135

>  <Formula> (4,135)
C12H14ClNO4S

>  <MolWeight> (4,135)
303.76186

>  <COMPOUND_NAME> (4,135)
WAY-611956

>  <BAR_CODE_NO> (4,135)
90445821

$$$$
WAY-612144
csChFnd80/06171916322D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -1.0583   -0.7625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3458    0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3458   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7708   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7708    0.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0583    0.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667    0.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4875   -0.7625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0583    1.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667   -0.7625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0583   -1.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0875    0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8000    0.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7708   -2.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7708   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8000    1.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5167    0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4875   -3.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2292    0.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5167    2.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2292    1.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  2  1  0  0  0  0
  8  4  2  0  0  0  0
  9  6  2  0  0  0  0
 10  3  1  0  0  0  0
 11  1  1  0  0  0  0
 12  7  1  0  0  0  0
 13 12  1  0  0  0  0
 14 15  1  0  0  0  0
 15 11  1  0  0  0  0
 16 13  2  0  0  0  0
 17 13  1  0  0  0  0
 18 14  1  0  0  0  0
 19 17  2  0  0  0  0
 20 16  1  0  0  0  0
 21 19  1  0  0  0  0
  6  2  1  0  0  0  0
 21 20  2  0  0  0  0
M  END
>  <Mol_ID> (4,136)
4136

>  <Formula> (4,136)
C14H18N4O3

>  <MolWeight> (4,136)
290.31772

>  <COMPOUND_NAME> (4,136)
WAY-612144

>  <BAR_CODE_NO> (4,136)
90446011

$$$$
WAY-612237
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -0.0333    0.8458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4583    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4583    0.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458   -1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792   -0.3917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458    2.0833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    0.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8292    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4583   -1.6292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1750   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1750    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1125    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8292    0.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1125   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5417   -0.3917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4583   -2.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5417   -1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8875    0.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8875    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1750   -2.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  6  2  0  0  0  0
  6  4  1  0  0  0  0
  7  1  1  0  0  0  0
  8  3  2  0  0  0  0
  9  2  2  0  0  0  0
 10  4  2  0  0  0  0
 11  7  1  0  0  0  0
 12 18  2  0  0  0  0
 13  8  1  0  0  0  0
 14  5  1  0  0  0  0
 15  6  1  0  0  0  0
 16 11  1  0  0  0  0
 17 11  2  0  0  0  0
 18 17  1  0  0  0  0
 19 16  2  0  0  0  0
 20 12  1  0  0  0  0
 21 13  1  0  0  0  0
 22 20  1  0  0  0  0
 23 15  2  0  0  0  0
 24 23  1  0  0  0  0
 25 21  1  0  0  0  0
  5  3  1  0  0  0  0
 12 19  1  0  0  0  0
 24 14  2  0  0  0  0
M  END
>  <Mol_ID> (4,137)
4137

>  <Formula> (4,137)
C20H19NO4

>  <MolWeight> (4,137)
337.36916

>  <COMPOUND_NAME> (4,137)
WAY-612237

>  <BAR_CODE_NO> (4,137)
90446108

$$$$
WAY-612274
csChFnd80/06171916322D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -0.4333   -0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208    0.4333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208   -0.9042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7083    0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7083   -0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3917   -0.2375    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.8042    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8042   -0.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6292    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4208    0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4208   -1.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0417    1.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0417   -0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1333   -0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1333    0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8667   -0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8667    1.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2792    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  6  1  0  0  0  0
  9  7  1  0  0  0  0
 10  4  1  0  0  0  0
 11  5  1  0  0  0  0
 12  9  2  0  0  0  0
 13  9  1  0  0  0  0
 14 11  2  0  0  0  0
 15 10  2  0  0  0  0
 16 13  2  0  0  0  0
 17 12  1  0  0  0  0
 18 16  1  0  0  0  0
  5  4  2  0  0  0  0
 14 15  1  0  0  0  0
 18 17  2  0  0  0  0
M  END
>  <Mol_ID> (4,138)
4138

>  <Formula> (4,138)
C15H15N3

>  <MolWeight> (4,138)
237.2997

>  <COMPOUND_NAME> (4,138)
WAY-612274

>  <BAR_CODE_NO> (4,138)
90446147

$$$$
WAY-612295
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -1.0208    0.7208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083    1.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083    0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2875    0.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2875    1.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2792   -0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542   -0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2500    2.1708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2500   -0.7375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6917   -1.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0417   -1.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0417    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2792   -2.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6917    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0083   -0.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0083    1.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5167   -1.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5167    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7208    1.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7208    0.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9292   -0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  7  1  0  0  0  0
  7 13  1  0  0  0  0
  8  2  2  0  0  0  0
  9  3  2  0  0  0  0
 10  6  2  0  0  0  0
 11  7  2  0  0  0  0
 12  1  1  0  0  0  0
 13 18  1  0  0  0  0
 14 10  1  0  0  0  0
 15  6  1  0  0  0  0
 16  4  1  0  0  0  0
 17  5  1  0  0  0  0
 18 12  1  0  0  0  0
 19 10  1  0  0  0  0
 20 15  2  0  0  0  0
 21 17  2  0  0  0  0
 22 16  2  0  0  0  0
 23 20  1  0  0  0  0
  4  5  2  0  0  0  0
 22 21  1  0  0  0  0
 23 19  2  0  0  0  0
M  END
>  <Mol_ID> (4,139)
4139

>  <Formula> (4,139)
C17H13NO5

>  <MolWeight> (4,139)
311.28882

>  <COMPOUND_NAME> (4,139)
WAY-612295

>  <BAR_CODE_NO> (4,139)
90446168

$$$$
WAY-612406
csChFnd80/06171916322D

 16 18  0  0  0  0  0  0  0  0999 V2000
    7.2114    7.5488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6987    8.2109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4738    6.7616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2114    8.8856    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.4326    7.7986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4326    8.6232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2734    6.5909    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5316    5.8038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9199    6.1494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3609    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1480    5.2541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5233    8.2109    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7205    7.3863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7205    9.0355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    7.7986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    8.6232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  2  0  0  0  0
  7  3  1  0  0  0  0
  8  7  1  0  0  0  0
  9  3  2  0  0  0  0
 10  8  1  0  0  0  0
 11  8  1  0  0  0  0
 12  2  1  0  0  0  0
 13  5  1  0  0  0  0
 14  6  1  0  0  0  0
 15 13  1  0  0  0  0
 16 15  1  0  0  0  0
  6  4  1  0  0  0  0
 16 14  1  0  0  0  0
 11 10  1  0  0  0  0
M  END
>  <Mol_ID> (4,140)
4140

>  <Formula> (4,140)
C12H16N2OS

>  <MolWeight> (4,140)
236.33324

>  <COMPOUND_NAME> (4,140)
WAY-612406

>  <BAR_CODE_NO> (4,140)
90446282

$$$$
WAY-612453
csChFnd80/06171916322D

 16 17  0  0  0  0  0  0  0  0999 V2000
    1.4959    0.7961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2821    1.4961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7097    1.4961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4959   -0.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9282    0.7961    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9269    0.7961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7097    2.8995    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7097   -1.3039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2821   -1.3039    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.2213   -0.0246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9269   -0.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6558   -1.3591    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3558    0.7961    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0558   -1.3591    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8317   -2.4936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4903   -0.0246    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
  8 11  1  0  0  0  0
 14 16  2  0  0  0  0
M  END
>  <Mol_ID> (4,141)
4141

>  <Formula> (4,141)
C9H8Cl2N4S

>  <MolWeight> (4,141)
275.15762

>  <COMPOUND_NAME> (4,141)
WAY-612453

>  <BAR_CODE_NO> (4,141)
90446331

$$$$
WAY-612520
csChFnd80/06171916322D

 32 36  0  0  0  0  0  0  0  0999 V2000
   -0.0750    0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1917    0.5083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9000    0.9208    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.3875    0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1917    1.3333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042    1.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3875    1.5833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1333   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8542    1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583   -0.7042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8375    0.0208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042   -1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6833   -1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7750    2.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6125    1.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4500   -1.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5125   -0.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4958   -0.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333   -1.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2792    1.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042   -2.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -1.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417    3.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9833   -2.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0458   -1.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042   -2.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1917    2.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7875   -2.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  7  1  0  0  0  0
  7  1  2  0  0  0  0
  8  4  1  0  0  0  0
  9  2  1  0  0  0  0
 10  5  1  0  0  0  0
 11  5  1  0  0  0  0
 12  8  1  0  0  0  0
 13  6  1  0  0  0  0
 14  9  2  0  0  0  0
 15 10  2  0  0  0  0
 16  9  1  0  0  0  0
 17 11  1  0  0  0  0
 18 13  2  0  0  0  0
 19 13  1  0  0  0  0
 20 16  1  0  0  0  0
 21 16  2  0  0  0  0
 22 17  1  0  0  0  0
 23 17  2  0  0  0  0
 24 19  2  0  0  0  0
 25 20  2  0  0  0  0
 26 21  1  0  0  0  0
 27 18  1  0  0  0  0
 28 23  1  0  0  0  0
 29 22  2  0  0  0  0
 30 26  2  0  0  0  0
 31 24  1  0  0  0  0
 32 28  2  0  0  0  0
  6  3  1  0  0  0  0
 10 12  1  0  0  0  0
 31 27  2  0  0  0  0
 30 25  1  0  0  0  0
 32 29  1  0  0  0  0
M  END
>  <Mol_ID> (4,142)
4142

>  <Formula> (4,142)
C26H21N3O2S

>  <MolWeight> (4,142)
439.52884

>  <COMPOUND_NAME> (4,142)
WAY-612520

>  <BAR_CODE_NO> (4,142)
90446400

$$$$
WAY-612521
csChFnd80/06171916322D

 34 38  0  0  0  0  0  0  0  0999 V2000
   -0.3208   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958    0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5833   -0.6667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3500    0.1625    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.5167    0.9583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958   -1.3292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083   -1.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667   -0.2417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3500    0.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3250    1.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042    1.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3333   -2.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6625    0.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1500    0.9708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0708    1.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1375   -2.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833   -2.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458   -3.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9417    1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333   -3.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3958   -3.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0958   -4.4625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833    1.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000    2.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4125    2.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3292    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458   -5.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208    2.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2875    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1375    0.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2292    2.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5917    1.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792    2.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  7  1  0  0  0  0
  7  1  2  0  0  0  0
  8  4  1  0  0  0  0
  9  2  1  0  0  0  0
 10  5  1  0  0  0  0
 11  5  1  0  0  0  0
 12  6  1  0  0  0  0
 13  8  1  0  0  0  0
 14  9  2  0  0  0  0
 15 10  2  0  0  0  0
 16  9  1  0  0  0  0
 17 12  2  0  0  0  0
 18 12  1  0  0  0  0
 19 21  1  0  0  0  0
 20 11  1  0  0  0  0
 21 18  2  0  0  0  0
 22 17  1  0  0  0  0
 23 19  1  0  0  0  0
 24 16  1  0  0  0  0
 25 16  2  0  0  0  0
 26 20  2  0  0  0  0
 27 20  1  0  0  0  0
 28 23  1  0  0  0  0
 29 25  1  0  0  0  0
 30 24  2  0  0  0  0
 31 27  2  0  0  0  0
 32 26  1  0  0  0  0
 33 31  1  0  0  0  0
 34 29  2  0  0  0  0
  3  6  1  0  0  0  0
 10 13  1  0  0  0  0
 19 22  2  0  0  0  0
 34 30  1  0  0  0  0
 33 32  2  0  0  0  0
M  END
>  <Mol_ID> (4,143)
4143

>  <Formula> (4,143)
C27H23N3O3S

>  <MolWeight> (4,143)
469.55482

>  <COMPOUND_NAME> (4,143)
WAY-612521

>  <BAR_CODE_NO> (4,143)
90446401

$$$$
WAY-612622
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.1708   -0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1708    1.1958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4250   -0.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6167    0.9458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583    0.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292   -1.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6167    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1250   -2.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292   -1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4250    1.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2333   -1.0917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4250   -2.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4875   -1.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2292   -2.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9333   -2.4917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2917   -1.8042    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292    2.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2333    2.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4875    2.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1250    3.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9333    3.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  1  1  0  0  0  0
  4  7  2  0  0  0  0
  5  1  2  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8  6  2  0  0  0  0
  9  6  1  0  0  0  0
 10  2  1  0  0  0  0
 11  3  2  0  0  0  0
 12  8  1  0  0  0  0
 13  9  2  0  0  0  0
 14 13  1  0  0  0  0
 15  8  1  0  0  0  0
 16 13  1  0  0  0  0
 17 10  1  0  0  0  0
 18 10  2  0  0  0  0
 19 18  1  0  0  0  0
 20 17  2  0  0  0  0
 21 19  2  0  0  0  0
  2  4  1  0  0  0  0
 14 12  2  0  0  0  0
 21 20  1  0  0  0  0
M  END
>  <Mol_ID> (4,144)
4144

>  <Formula> (4,144)
C16H11FN2O2

>  <MolWeight> (4,144)
282.2691432

>  <COMPOUND_NAME> (4,144)
WAY-612622

>  <BAR_CODE_NO> (4,144)
90446505

$$$$
WAY-612623
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.2000    0.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000    1.3958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583   -0.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792    1.1375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6875    0.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0917   -1.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792    0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042   -1.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1583   -2.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583    2.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2625   -0.8917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542   -1.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3917   -2.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2000   -2.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542   -0.3792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1375   -3.5167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0917    2.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2625    2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6875   -4.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5208    3.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1583    3.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  1  1  0  0  0  0
  4  7  2  0  0  0  0
  5  1  2  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8  6  2  0  0  0  0
  9  6  1  0  0  0  0
 10  2  1  0  0  0  0
 11  3  2  0  0  0  0
 12  8  1  0  0  0  0
 13  9  2  0  0  0  0
 14 13  1  0  0  0  0
 15  8  1  0  0  0  0
 16 13  1  0  0  0  0
 17 10  1  0  0  0  0
 18 10  2  0  0  0  0
 19 16  1  0  0  0  0
 20 18  1  0  0  0  0
 21 17  2  0  0  0  0
 22 20  2  0  0  0  0
  2  4  1  0  0  0  0
 12 14  2  0  0  0  0
 22 21  1  0  0  0  0
M  END
>  <Mol_ID> (4,145)
4145

>  <Formula> (4,145)
C17H14N2O3

>  <MolWeight> (4,145)
294.30466

>  <COMPOUND_NAME> (4,145)
WAY-612623

>  <BAR_CODE_NO> (4,145)
90446506

$$$$
WAY-612662
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
    1.0792   -0.8667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667   -0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9750    0.1208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8292   -1.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792   -0.5917    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.3667   -1.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3500   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3042    0.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2083   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4958   -1.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0625   -1.2792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042   -2.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2083   -0.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9208   -1.2792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9208    0.3708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3500   -0.0417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1292    0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8250    1.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4958    0.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833   -0.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2042   -0.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1542    2.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4667    1.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9792    2.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6333   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6333   -0.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3167    3.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  3  1  0  0  0  0
  9 11  1  0  0  0  0
 10  2  2  0  0  0  0
 11 15  2  0  0  0  0
 12  7  1  0  0  0  0
 13  4  2  0  0  0  0
 14 21  1  0  0  0  0
 15 12  1  0  0  0  0
 16  9  1  0  0  0  0
 17 14  1  0  0  0  0
 18  7  2  0  0  0  0
 19  8  1  0  0  0  0
 20  8  2  0  0  0  0
 21 22  2  0  0  0  0
 22 15  1  0  0  0  0
 23  5  1  0  0  0  0
 24 20  1  0  0  0  0
 25 19  2  0  0  0  0
 26 24  2  0  0  0  0
 27 16  1  0  0  0  0
 28 17  1  0  0  0  0
 29 26  1  0  0  0  0
  3  5  1  0  0  0  0
 26 25  1  0  0  0  0
 14  9  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (4,146)
4146

>  <Formula> (4,146)
C21H21N3O5

>  <MolWeight> (4,146)
395.40854

>  <COMPOUND_NAME> (4,146)
WAY-612662

>  <BAR_CODE_NO> (4,146)
90446546

$$$$
WAY-612693
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -2.9132   -0.5887    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6368    1.2196    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7882   -1.0887    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0507   -0.0887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6368   -0.4012    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2243    0.4113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3174   -0.0887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3174    0.9113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1799   -0.5887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4132    0.2821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4132   -1.4554    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7243    1.2821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0507    0.9113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7243    1.2821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1799    1.4113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2243    0.4113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5132   -2.0887    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2243    0.4113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6507   -0.5887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7882   -2.0887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6507   -2.5887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5132   -1.0887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7243   -0.4554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2243    2.1446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2243    0.4113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2243   -1.3179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7243    1.2821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2243    2.1446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  8  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  7  1  0  0  0  0
  6  5  1  0  0  0  0
  7  9  1  0  0  0  0
  8 15  1  0  0  0  0
  9  4  2  0  0  0  0
 10  1  2  0  0  0  0
 11  1  2  0  0  0  0
 12 16  1  0  0  0  0
 13  4  1  0  0  0  0
 14 12  1  0  0  0  0
 15 13  2  0  0  0  0
 16  6  1  0  0  0  0
 17 21  1  0  0  0  0
 18 14  2  0  0  0  0
 19  3  1  0  0  0  0
 20  3  1  0  0  0  0
 21 20  1  0  0  0  0
 22 19  1  0  0  0  0
 23 18  1  0  0  0  0
 24 14  1  0  0  0  0
 25 18  1  0  0  0  0
 26 23  1  0  0  0  0
 27 28  1  0  0  0  0
 28 24  2  0  0  0  0
 22 17  1  0  0  0  0
  7  8  2  0  0  0  0
  6  2  2  0  0  0  0
 25 27  2  0  0  0  0
M  END
>  <Mol_ID> (4,147)
4147

>  <Formula> (4,147)
C20H23N3O4S

>  <MolWeight> (4,147)
401.47932

>  <COMPOUND_NAME> (4,147)
WAY-612693

>  <BAR_CODE_NO> (4,147)
90446579

$$$$
WAY-612698
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.2083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7875    0.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.1250    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.7875    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417   -2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2583   -0.9042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3000   -1.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7625   -2.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542    1.4458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3083    0.5458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2583    1.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208   -3.2625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208   -1.8667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917   -2.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042   -1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3000    2.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0583    2.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4042   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542   -1.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208    2.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417    3.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7625    3.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  8  2  0  0  0  0
  7  4  1  0  0  0  0
  8  7  1  0  0  0  0
  9  6  1  0  0  0  0
 10  2  2  0  0  0  0
 11  3  2  0  0  0  0
 12  1  1  0  0  0  0
 13  9  2  0  0  0  0
 14  9  1  0  0  0  0
 15  6  1  0  0  0  0
 16  8  1  0  0  0  0
 17 12  1  0  0  0  0
 18 12  1  0  0  0  0
 19 20  1  0  0  0  0
 20 16  2  0  0  0  0
 21 18  1  0  0  0  0
 22 17  1  0  0  0  0
 23 21  1  0  0  0  0
  5  4  1  0  0  0  0
 23 22  1  0  0  0  0
 19 15  2  0  0  0  0
M  END
>  <Mol_ID> (4,148)
4148

>  <Formula> (4,148)
C17H19NO4S

>  <MolWeight> (4,148)
333.40206

>  <COMPOUND_NAME> (4,148)
WAY-612698

>  <BAR_CODE_NO> (4,148)
90446584

$$$$
WAY-612724
csChFnd80/06171916322D

 20 23  0  0  0  0  0  0  0  0999 V2000
    1.9250    0.0958    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667   -0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750   -0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -1.2292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542    0.1708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542   -1.0542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2583   -0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2917   -0.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1875    1.2583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9750    0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6708    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4083    0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0500   -0.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9625    0.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1875   -0.0792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6875   -0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4083    0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2583   -1.0667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9750    0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6875    1.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  2  1  0  0  0  0
  6  2  2  0  0  0  0
  7  5  1  0  0  0  0
  8  3  1  0  0  0  0
  9 17  1  0  0  0  0
 10  7  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13  8  1  0  0  0  0
 14  8  1  0  0  0  0
 15 12  1  0  0  0  0
 16 10  2  0  0  0  0
 17 20  1  0  0  0  0
 18  7  2  0  0  0  0
 19 10  1  0  0  0  0
 20 19  2  0  0  0  0
  4  6  1  0  0  0  0
 14 13  1  0  0  0  0
 17 12  2  0  0  0  0
 11  9  2  0  0  0  0
M  END
>  <Mol_ID> (4,149)
4149

>  <Formula> (4,149)
C13H10N4OS2

>  <MolWeight> (4,149)
302.3747

>  <COMPOUND_NAME> (4,149)
WAY-612724

>  <BAR_CODE_NO> (4,149)
90446610

$$$$
WAY-612750
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
    1.0792   -0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792   -1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667   -1.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667    0.2250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8667    0.0708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3458   -1.0125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8667   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3458   -0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833    1.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5333    1.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8583    2.2833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6708    2.4583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0833    1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667   -2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0583    1.0500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0583    0.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1250   -2.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1792   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  9  1  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  4  2  0  0  0  0
 10 16  1  0  0  0  0
 11 10  1  0  0  0  0
 12 10  2  0  0  0  0
 13 12  1  0  0  0  0
 14 11  1  0  0  0  0
 15  3  2  0  0  0  0
 16 17  1  0  0  0  0
 17  9  1  0  0  0  0
 18  7  1  0  0  0  0
 19  8  1  0  0  0  0
  7  8  2  0  0  0  0
  6  3  1  0  0  0  0
 14 13  2  0  0  0  0
M  END
>  <Mol_ID> (4,150)
4150

>  <Formula> (4,150)
C11H11N5OS2

>  <MolWeight> (4,150)
293.36794

>  <COMPOUND_NAME> (4,150)
WAY-612750

>  <BAR_CODE_NO> (4,150)
90446637

$$$$
WAY-612763
csChFnd80/06171916322D

 33 35  0  0  0  0  0  0  0  0999 V2000
    0.0250   -5.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792   -4.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917   -2.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958    4.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458    3.4208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0417   -2.1667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208   -3.1292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4000    2.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458    4.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4500    0.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3417   -3.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0875   -4.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1000    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917   -1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708   -3.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9250    5.4792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917   -0.1542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2083    2.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083    3.8625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3417    5.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542    0.7958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458    6.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083    1.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3417    5.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3125   -1.7292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8042   -5.5667    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583   -5.0542    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333   -6.0917    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4625    1.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7417   -0.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1500   -3.3917    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.7583    3.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  5  8  1  0  0  0  0
  6  3  1  0  0  0  0
  7 16  2  0  0  0  0
  8 15  1  0  0  0  0
  9  4  1  0  0  0  0
 10 18  1  0  0  0  0
 11 12  1  0  0  0  0
 12  2  2  0  0  0  0
 13 10  1  0  0  0  0
 14  6  1  0  0  0  0
 15 13  2  0  0  0  0
 16  2  1  0  0  0  0
 17  9  1  0  0  0  0
 18 31  1  0  0  0  0
 19 30  1  0  0  0  0
 20  4  2  0  0  0  0
 21  9  2  0  0  0  0
 22 10  2  0  0  0  0
 23 17  1  0  0  0  0
 24 13  1  0  0  0  0
 25 21  1  0  0  0  0
 26 14  2  0  0  0  0
 27  1  1  0  0  0  0
 28  1  1  0  0  0  0
 29  1  1  0  0  0  0
 30 24  2  0  0  0  0
 31 14  1  0  0  0  0
 32 11  1  0  0  0  0
 33 19  1  0  0  0  0
  3 11  2  0  0  0  0
 19  8  2  0  0  0  0
 23 25  2  0  0  0  0
M  END
>  <Mol_ID> (4,151)
4151

>  <Formula> (4,151)
C21H15ClF3N3O5

>  <MolWeight> (4,151)
481.8091096

>  <COMPOUND_NAME> (4,151)
WAY-612763

>  <BAR_CODE_NO> (4,151)
90446651

$$$$
WAY-612993
csChFnd80/06171916322D

 19 22  0  0  0  0  0  0  0  0999 V2000
    0.7667    1.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792    2.2083    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083    1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6167    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5792    1.4500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4375    0.0333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292   -0.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9167    0.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375   -2.7542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667   -1.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2875    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2875    2.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208   -1.9667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.7833    1.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333   -3.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458   -1.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1000   -2.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  2  0  0  0  0
  7  1  2  0  0  0  0
  8 10  2  0  0  0  0
  9  6  1  0  0  0  0
 10  7  1  0  0  0  0
 11 15  1  0  0  0  0
 12  9  1  0  0  0  0
 13  4  1  0  0  0  0
 14  5  1  0  0  0  0
 15 12  1  0  0  0  0
 16 14  1  0  0  0  0
 17 11  1  0  0  0  0
 18 15  1  0  0  0  0
 19 18  1  0  0  0  0
  4  5  2  0  0  0  0
  8  6  1  0  0  0  0
 16 13  1  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (4,152)
4152

>  <Formula> (4,152)
C14H17N3OS

>  <MolWeight> (4,152)
275.36928

>  <COMPOUND_NAME> (4,152)
WAY-612993

>  <BAR_CODE_NO> (4,152)
90446884

$$$$
WAY-613044
csChFnd80/06171916322D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -0.4102    0.5880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8227    1.1630    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8227    0.0255    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7898   -0.7245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4977    0.9505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4148   -0.0703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4977    0.2380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2981    0.5880    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5398   -0.8078    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6648   -0.0620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4856   -1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6856   -1.5370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7981    0.5797    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0398   -1.9078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1102    1.3005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1102   -0.1120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7227    0.9505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7227    0.2380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  6  1  0  0  0  0
  5  2  1  0  0  0  0
  6 10  1  0  0  0  0
  7  3  1  0  0  0  0
  8  1  1  0  0  0  0
  9  4  1  0  0  0  0
 10  8  1  0  0  0  0
 11  4  2  0  0  0  0
 12  9  1  0  0  0  0
 13  6  2  0  0  0  0
 14 11  1  0  0  0  0
 15  5  2  0  0  0  0
 16  7  2  0  0  0  0
 17 15  1  0  0  0  0
 18 16  1  0  0  0  0
  7  5  1  0  0  0  0
 18 17  2  0  0  0  0
 14 12  2  0  0  0  0
M  END
>  <Mol_ID> (4,153)
4153

>  <Formula> (4,153)
C13H10N2O2S

>  <MolWeight> (4,153)
258.2957

>  <COMPOUND_NAME> (4,153)
WAY-613044

>  <BAR_CODE_NO> (4,153)
90446937

$$$$
WAY-627909-A
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
    3.7917    1.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7917    1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0750    2.2833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3625    1.0458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3625    1.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0750    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5750    0.7833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5750    2.1208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0625    1.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6375   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8292    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    2.2833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0750   -0.1917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8917   -0.9542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1917    0.4458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3125   -1.4667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7000   -1.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0750    3.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9542   -1.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7625   -2.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3417   -1.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1167   -1.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0167   -2.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3750   -2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8250   -3.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  2  1  0  0  0  0
  8  1  1  0  0  0  0
  9  8  2  0  0  0  0
 10 11  1  0  0  0  0
 11  7  1  0  0  0  0
 12  5  2  0  0  0  0
 13  6  2  0  0  0  0
 14 10  1  0  0  0  0
 15 10  2  0  0  0  0
 16 21  2  0  0  0  0
 17 14  1  0  0  0  0
 18  3  1  0  0  0  0
 19  4  1  0  0  0  0
 20 17  1  0  0  0  0
 21 20  1  0  0  0  0
 22 14  1  0  0  0  0
 23 16  1  0  0  0  0
 24 21  1  0  0  0  0
 25 26  1  0  0  0  0
 26 24  2  0  0  0  0
  9  7  1  0  0  0  0
  4  6  1  0  0  0  0
 25 23  2  0  0  0  0
M  END
>  <Mol_ID> (4,154)
4154

>  <Formula> (4,154)
C17H20N6O3

>  <MolWeight> (4,154)
356.3791

>  <COMPOUND_NAME> (4,154)
WAY-627909-A

>  <BAR_CODE_NO> (4,154)
90462148

$$$$
WAY-628012
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -2.8055   -0.2071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2124    0.4895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0227   -0.0209    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1986   -0.9140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6641    1.0895    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0227    0.4895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9434    0.7619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9986   -0.9381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4296   -0.2071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2365    1.1688    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5434    0.7619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1635    1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5676   -0.0346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8324    0.7240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5255    1.1171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8324   -0.0484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2186    0.6964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4980   -0.4691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1911   -0.0864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8738   -0.5209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8738   -1.2933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5911   -0.1277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5393   -1.7105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2600   -0.5450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2462   -1.3312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  6  9  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  2  0  0  0  0
  5  7  2  0  0  0  0
  8  9  1  0  0  0  0
 18 19  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (4,155)
4155

>  <Formula> (4,155)
C21H17N3O

>  <MolWeight> (4,155)
327.37918

>  <COMPOUND_NAME> (4,155)
WAY-628012

>  <BAR_CODE_NO> (4,155)
90462252

$$$$
WAY-628177
csChFnd80/06171916322D

 24 27  0  0  0  0  0  0  0  0999 V2000
    0.3167    0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8042   -0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167   -1.3292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5750    0.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3542    1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4625   -0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3542    1.8708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4625   -1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0917    1.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5750    2.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5750   -2.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6292   -0.6542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0292    0.5625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833    0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833   -1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7333    1.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417    2.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0250   -2.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8958   -0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833   -2.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792   -3.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8958   -1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0708    2.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833    2.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  2  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  5  1  0  0  0  0
  8  6  2  0  0  0  0
  9  4  1  0  0  0  0
 10  9  2  0  0  0  0
 11  3  1  0  0  0  0
 12  2  2  0  0  0  0
 13  5  2  0  0  0  0
 14  6  1  0  0  0  0
 15  8  1  0  0  0  0
 16  9  1  0  0  0  0
 17 10  1  0  0  0  0
 18 11  1  0  0  0  0
 19 14  2  0  0  0  0
 20 18  1  0  0  0  0
 21 18  1  0  0  0  0
 22 19  1  0  0  0  0
 23 16  2  0  0  0  0
 24 23  1  0  0  0  0
  8  3  1  0  0  0  0
 10  7  1  0  0  0  0
 22 15  2  0  0  0  0
 24 17  2  0  0  0  0
M  END
>  <Mol_ID> (4,156)
4156

>  <Formula> (4,156)
C20H18N2O2

>  <MolWeight> (4,156)
318.36912

>  <COMPOUND_NAME> (4,156)
WAY-628177

>  <BAR_CODE_NO> (4,156)
90462423

$$$$
WAY-628183
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -1.5458   -0.1917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7417   -0.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8333   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2583   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3125   -0.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9750   -0.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0250   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4542   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7417    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9750    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208   -0.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8333   -1.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6000   -0.6042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3125    0.6333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2583    1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4542   -1.4292    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0250    1.0458    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.1667    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6875   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4542    1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1667   -0.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6875    1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4083   -0.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4083    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5 14  1  0  0  0  0
  6  4  1  0  0  0  0
  7  5  1  0  0  0  0
  8  1  1  0  0  0  0
  9  2  2  0  0  0  0
 10  2  1  0  0  0  0
 11 16  1  0  0  0  0
 12  3  1  0  0  0  0
 13  3  2  0  0  0  0
 14 12  1  0  0  0  0
 15  5  2  0  0  0  0
 16  8  1  0  0  0  0
 17  9  1  0  0  0  0
 18 10  1  0  0  0  0
 19 21  1  0  0  0  0
 20  6  1  0  0  0  0
 21 10  2  0  0  0  0
 22  9  1  0  0  0  0
 23 11  1  0  0  0  0
 24 20  2  0  0  0  0
 25 23  2  0  0  0  0
 11  6  2  0  0  0  0
 24 25  1  0  0  0  0
 19 22  2  0  0  0  0
M  END
>  <Mol_ID> (4,157)
4157

>  <Formula> (4,157)
C19H17Cl2NO3

>  <MolWeight> (4,157)
378.24918

>  <COMPOUND_NAME> (4,157)
WAY-628183

>  <BAR_CODE_NO> (4,157)
90462429

$$$$
WAY-628230
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    0.1125   -0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917   -1.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917   -0.1167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3792   -1.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3792   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7125   -0.7792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3417   -2.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1250   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3625    0.6458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0417    0.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9500   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8917   -2.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7125    0.6458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4708   -2.4042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1875    0.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9500    1.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9625    0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3625    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6000    1.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6292    1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4667    0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1875    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3792    1.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9 11  1  0  0  0  0
 10  5  1  0  0  0  0
 11  8  1  0  0  0  0
 12  7  2  0  0  0  0
 13  8  2  0  0  0  0
 14  7  1  0  0  0  0
 15  9  1  0  0  0  0
 16  9  1  0  0  0  0
 17 10  1  0  0  0  0
 18 10  2  0  0  0  0
 19 16  1  0  0  0  0
 20 15  1  0  0  0  0
 21 18  1  0  0  0  0
 22 17  2  0  0  0  0
 23 19  1  0  0  0  0
 24 21  2  0  0  0  0
  5  4  2  0  0  0  0
 24 22  1  0  0  0  0
 23 20  1  0  0  0  0
M  END
>  <Mol_ID> (4,158)
4158

>  <Formula> (4,158)
C18H21N3O2S

>  <MolWeight> (4,158)
343.44324

>  <COMPOUND_NAME> (4,158)
WAY-628230

>  <BAR_CODE_NO> (4,158)
90462477

$$$$
WAY-628300
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
    0.8292   -1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167   -1.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7250   -2.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5875   -0.8167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3083    2.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3083    1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292   -1.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0958    2.8208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0958    1.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5833    2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5958    1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5958    2.9833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167   -0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167    1.7375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -2.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5958    0.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167    2.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167    0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5958   -1.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5792   -3.5667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042   -2.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9542   -1.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3500    0.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4083    2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8792   -2.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  6  1  0  0  0  0
  6 11  2  0  0  0  0
  7  4  1  0  0  0  0
  8  5  1  0  0  0  0
  9  6  1  0  0  0  0
 10  9  2  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 13  1  1  0  0  0  0
 14 11  1  0  0  0  0
 15  3  1  0  0  0  0
 16 18  1  0  0  0  0
 17 14  2  0  0  0  0
 18 13  1  0  0  0  0
 19 13  2  0  0  0  0
 20 15  2  0  0  0  0
 21  2  1  0  0  0  0
 22  7  1  0  0  0  0
 23  9  1  0  0  0  0
 24 10  1  0  0  0  0
 25 15  1  0  0  0  0
  7  3  2  0  0  0  0
 12  5  2  0  0  0  0
 10  8  1  0  0  0  0
M  END
>  <Mol_ID> (4,159)
4159

>  <Formula> (4,159)
C18H19N3O2S2

>  <MolWeight> (4,159)
373.49236

>  <COMPOUND_NAME> (4,159)
WAY-628300

>  <BAR_CODE_NO> (4,159)
90462548

$$$$
WAY-628361
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
    2.3917   -0.3792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6792    0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1417   -0.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3958    1.1125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4625   -0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8750    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6083    0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833    0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3958   -0.2167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6083    0.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8958   -0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2500    0.0333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667   -0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3167    0.7625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6792    0.8583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4625   -1.2042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833    0.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8958    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4792   -1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7000   -0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2875   -1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4 10  1  0  0  0  0
  5 12  1  0  0  0  0
  6  9  1  0  0  0  0
  7 11  1  0  0  0  0
  8  5  1  0  0  0  0
  9  7  1  0  0  0  0
 10 18  1  0  0  0  0
 11  8  2  0  0  0  0
 12 13  1  0  0  0  0
 13  2  1  0  0  0  0
 14  3  2  0  0  0  0
 15  2  2  0  0  0  0
 16  5  2  0  0  0  0
 17  8  1  0  0  0  0
 18 17  2  0  0  0  0
 19  1  1  0  0  0  0
 20  3  1  0  0  0  0
 21 19  1  0  0  0  0
 20 21  1  0  0  0  0
 10  7  2  0  0  0  0
  6  4  2  0  0  0  0
M  END
>  <Mol_ID> (4,160)
4160

>  <Formula> (4,160)
C14H12N2O4S

>  <MolWeight> (4,160)
304.32108

>  <COMPOUND_NAME> (4,160)
WAY-628361

>  <BAR_CODE_NO> (4,160)
90462611

$$$$
WAY-628405
csChFnd80/06171916322D

 23 26  0  0  0  0  0  0  0  0999 V2000
   -0.7833    0.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833    1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708   -0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708    1.4458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6417    0.2083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5708   -0.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6417    1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5708    1.2875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0583    0.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667    1.0333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708   -1.0292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3542    1.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8250   -0.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5042    0.2083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7875    1.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667    0.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7875   -0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5042    1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708   -1.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6333   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8833   -1.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5250   -2.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3333   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  5  1  0  0  0  0
  8  2  1  0  0  0  0
  9  6  2  0  0  0  0
 10 12  1  0  0  0  0
 11  3  2  0  0  0  0
 12  7  1  0  0  0  0
 13  6  1  0  0  0  0
 14 17  1  0  0  0  0
 15 10  1  0  0  0  0
 16 10  1  0  0  0  0
 17 16  1  0  0  0  0
 18 15  1  0  0  0  0
 19 13  2  0  0  0  0
 20 13  1  0  0  0  0
 21 20  2  0  0  0  0
 22 19  1  0  0  0  0
 23 21  1  0  0  0  0
  9  8  1  0  0  0  0
  7  4  2  0  0  0  0
 23 22  2  0  0  0  0
 14 18  1  0  0  0  0
M  END
>  <Mol_ID> (4,161)
4161

>  <Formula> (4,161)
C17H17N3O2S

>  <MolWeight> (4,161)
327.40078

>  <COMPOUND_NAME> (4,161)
WAY-628405

>  <BAR_CODE_NO> (4,161)
90462657

$$$$
WAY-628531
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.0708    0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708    1.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833    0.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6417    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    1.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6417   -0.7250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3542   -1.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833    2.5833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3542    0.5125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3542   -1.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6417   -2.3750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.2125    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2125    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667   -0.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667   -2.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9333    1.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9333    0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7875   -1.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7875   -1.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  8  2  0  0  0  0
  7  5  1  0  0  0  0
  8  3  1  0  0  0  0
  9  7  1  0  0  0  0
 10  4  2  0  0  0  0
 11  5  2  0  0  0  0
 12  9  2  0  0  0  0
 13 12  1  0  0  0  0
 14  6  1  0  0  0  0
 15  8  1  0  0  0  0
 16  9  1  0  0  0  0
 17 12  1  0  0  0  0
 18 19  1  0  0  0  0
 19 15  2  0  0  0  0
 20 16  2  0  0  0  0
 21 20  1  0  0  0  0
  6  4  1  0  0  0  0
 18 14  2  0  0  0  0
 21 17  2  0  0  0  0
M  END
>  <Mol_ID> (4,162)
4162

>  <Formula> (4,162)
C16H10BrNO3

>  <MolWeight> (4,162)
344.1595

>  <COMPOUND_NAME> (4,162)
WAY-628531

>  <BAR_CODE_NO> (4,162)
90462787

$$$$
WAY-628575
csChFnd80/06171916322D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -2.1708    0.0075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6191   -0.9546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2881    0.0075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8260    1.0730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5088   -0.9546    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708   -1.9235    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6329    1.0730    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8432   -0.9546    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7260    1.7179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0464    0.0179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0602   -1.9028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2881   -1.9235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7329    2.8282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1568    0.0179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1671   -1.9028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7708    3.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7085   -0.9442    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8188   -0.9442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3740    0.0179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3878   -1.9028    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9257    1.0351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4843    0.1351    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7430    1.7730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7050    1.2213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
  7  9  1  0  0  0  0
  8 12  1  0  0  0  0
 15 17  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (4,163)
4163

>  <Formula> (4,163)
C17H18N4O2S

>  <MolWeight> (4,163)
342.41542

>  <COMPOUND_NAME> (4,163)
WAY-628575

>  <BAR_CODE_NO> (4,163)
90462831

$$$$
WAY-628602
csChFnd80/06171916322D

 24 28  0  0  0  0  0  0  0  0999 V2000
   -0.7708    0.3833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2583    1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2583   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0458    0.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0458   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542    0.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042   -0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0542   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6375    0.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042    0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4917   -1.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6542    0.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1250   -1.0917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958    1.8333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292   -1.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8125   -0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5750   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0292   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7583   -0.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7583    1.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4708    0.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4708   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  8  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9  4  1  0  0  0  0
 10  4  1  0  0  0  0
 11  4  1  0  0  0  0
 12 10  1  0  0  0  0
 13  9  1  0  0  0  0
 14 11  1  0  0  0  0
 15  3  2  0  0  0  0
 16  2  2  0  0  0  0
 17  8  2  0  0  0  0
 18 12  1  0  0  0  0
 19 14  1  0  0  0  0
 20 14  1  0  0  0  0
 21  6  1  0  0  0  0
 22  5  1  0  0  0  0
 23 22  2  0  0  0  0
 24 21  2  0  0  0  0
  6  5  2  0  0  0  0
 24 23  1  0  0  0  0
 20 13  1  0  0  0  0
 12 19  1  0  0  0  0
 18 13  1  0  0  0  0
M  END
>  <Mol_ID> (4,164)
4164

>  <Formula> (4,164)
C20H21NO3

>  <MolWeight> (4,164)
323.38564

>  <COMPOUND_NAME> (4,164)
WAY-628602

>  <BAR_CODE_NO> (4,164)
90462860

$$$$
WAY-628644
csChFnd80/06171916322D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -0.7552    0.3860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0448   -0.0140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4448   -0.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7552    1.2032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0448   -0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6621    0.3860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1759    0.3860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4655    1.6032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6621   -1.2554    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7448   -1.2450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3724   -0.0140    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6621    1.2032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1759    1.1964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3724   -0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0828   -1.2554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7931   -0.8554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  9 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
  8 13  2  0  0  0  0
 11 14  1  0  0  0  0
M  END
>  <Mol_ID> (4,165)
4165

>  <Formula> (4,165)
C13H14N2O

>  <MolWeight> (4,165)
214.26306

>  <COMPOUND_NAME> (4,165)
WAY-628644

>  <BAR_CODE_NO> (4,165)
90462905

$$$$
WAY-628649
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
    2.0042   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3042    0.0958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8917    0.8125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0917    0.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7542   -0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1375   -0.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917   -0.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2833   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5708   -0.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5750   -0.1792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2833    0.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0708   -0.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0708    0.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5500    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1375   -1.4167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583    0.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5708    1.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792    1.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9292   -1.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  2  0  0  0  0
  3  4  1  0  0  0  0
  4  1  2  0  0  0  0
  5  1  1  0  0  0  0
  6 11  1  0  0  0  0
  7  1  1  0  0  0  0
  8  6  1  0  0  0  0
  9 10  1  0  0  0  0
 10  8  2  0  0  0  0
 11  7  1  0  0  0  0
 12 18  1  0  0  0  0
 13  9  1  0  0  0  0
 14 12  1  0  0  0  0
 15 13  1  0  0  0  0
 16  6  2  0  0  0  0
 17  8  1  0  0  0  0
 18 17  2  0  0  0  0
 19  4  1  0  0  0  0
 20  5  1  0  0  0  0
  3  2  1  0  0  0  0
 12  9  2  0  0  0  0
 15 14  1  0  0  0  0
M  END
>  <Mol_ID> (4,166)
4166

>  <Formula> (4,166)
C14H13NO5

>  <MolWeight> (4,166)
275.25672

>  <COMPOUND_NAME> (4,166)
WAY-628649

>  <BAR_CODE_NO> (4,166)
90462910

$$$$
WAY-628654
csChFnd80/06171916322D

 21 22  0  0  0  0  0  0  0  0999 V2000
    2.0875   -1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3542   -1.7667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3542   -0.9417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5667   -0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5667   -2.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2625   -1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0250   -0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8625    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8500   -0.6417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4500    2.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4500    0.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3875   -1.3542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6250    2.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6250    0.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2125    0.0708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3875    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2125    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167   -2.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6875    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8625    2.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  2  0  0  0  0
  3  4  1  0  0  0  0
  4  1  2  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9  6  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12  7  2  0  0  0  0
 13 17  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16  7  1  0  0  0  0
 17 14  1  0  0  0  0
 18  4  1  0  0  0  0
 19  5  1  0  0  0  0
 20  8  1  0  0  0  0
 21 10  1  0  0  0  0
  3  2  1  0  0  0  0
 10  8  2  0  0  0  0
M  END
>  <Mol_ID> (4,167)
4167

>  <Formula> (4,167)
C16H19NO4

>  <MolWeight> (4,167)
289.32636

>  <COMPOUND_NAME> (4,167)
WAY-628654

>  <BAR_CODE_NO> (4,167)
90462915

$$$$
WAY-628655
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.3667    0.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833    0.9083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208    2.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1125   -0.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667    1.6958    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0667    3.0333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1750    0.4708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2458    2.3583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958   -0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6625   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542    1.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542    2.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9500   -1.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2458   -0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042   -1.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4667   -0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0583   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9625   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0250   -1.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7583   -1.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3083   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667   -2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  5  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  1  2  0  0  0  0
  8  3  2  0  0  0  0
  9  4  1  0  0  0  0
 10  4  1  0  0  0  0
 11  5  1  0  0  0  0
 12 11  1  0  0  0  0
 13  9  2  0  0  0  0
 14  9  1  0  0  0  0
 15 10  1  0  0  0  0
 16 10  2  0  0  0  0
 17 14  2  0  0  0  0
 18 15  2  0  0  0  0
 19 16  1  0  0  0  0
 20 13  1  0  0  0  0
 21 17  1  0  0  0  0
 22 19  2  0  0  0  0
  6 12  1  0  0  0  0
 22 18  1  0  0  0  0
 21 20  2  0  0  0  0
M  END
>  <Mol_ID> (4,168)
4168

>  <Formula> (4,168)
C18H16O4

>  <MolWeight> (4,168)
296.31724

>  <COMPOUND_NAME> (4,168)
WAY-628655

>  <BAR_CODE_NO> (4,168)
90462916

$$$$
WAY-628663
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -1.2583   -1.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5375   -0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2583   -1.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5375   -2.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1750   -1.1542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1750   -1.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1750    1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8917    1.7333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0375   -2.2292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5375    0.0833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5208   -1.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0375   -0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1750    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5375    1.7333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167    2.5583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042    1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8917    2.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8917   -2.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042    2.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  6  1  0  0  0  0
  6  4  2  0  0  0  0
  7 13  1  0  0  0  0
  8  7  1  0  0  0  0
  9  1  1  0  0  0  0
 10  2  1  0  0  0  0
 11  9  1  0  0  0  0
 12  3  1  0  0  0  0
 13 10  1  0  0  0  0
 14  7  2  0  0  0  0
 15 19  1  0  0  0  0
 16  8  1  0  0  0  0
 17  8  1  0  0  0  0
 18  6  1  0  0  0  0
 19 17  1  0  0  0  0
 20 16  1  0  0  0  0
 11 12  2  0  0  0  0
  2  5  2  0  0  0  0
 15 20  1  0  0  0  0
M  END
>  <Mol_ID> (4,169)
4169

>  <Formula> (4,169)
C13H15N3O2S2

>  <MolWeight> (4,169)
309.4071

>  <COMPOUND_NAME> (4,169)
WAY-628663

>  <BAR_CODE_NO> (4,169)
90462924

$$$$
WAY-628673
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.9510   -1.5291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1648   -1.0739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9510   -2.4394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8165   -1.2498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1648   -0.1636    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6179   -1.5291    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8165   -2.7187    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1648   -2.8946    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3510   -1.9808    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6179    0.2916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6179   -2.4394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6179    1.1916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4041    1.6468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1648    1.6468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4041    2.5571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1938    1.1916    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.1648    2.5571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6179    3.0123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6179    3.9226    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
  7  9  1  0  0  0  0
  8 11  2  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (4,170)
4170

>  <Formula> (4,170)
C12H9Cl2N5

>  <MolWeight> (4,170)
294.13936

>  <COMPOUND_NAME> (4,170)
WAY-628673

>  <BAR_CODE_NO> (4,170)
90462934

$$$$
WAY-628706
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.2917   -2.9917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917   -1.4917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083   -3.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3083   -7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3292   -2.3917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3292   -3.5917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083   -5.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3083   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3458   -8.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5917   -0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708   -8.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3083   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000   -1.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6000   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5917    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6083   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6125   -0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6125    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  9  1  0  0  0  0
  6  1  2  0  0  0  0
  7  1  2  0  0  0  0
  8  3  2  0  0  0  0
  9  8  1  0  0  0  0
 10  4  2  0  0  0  0
 11  5  2  0  0  0  0
 12  2  1  0  0  0  0
 13  5  1  0  0  0  0
 14  3  1  0  0  0  0
 15  4  1  0  0  0  0
 16 18  1  0  0  0  0
 17 12  1  0  0  0  0
 18 14  2  0  0  0  0
 19 17  1  0  0  0  0
 20 10  1  0  0  0  0
 21 15  2  0  0  0  0
 22 21  1  0  0  0  0
  9 16  2  0  0  0  0
 10 19  1  0  0  0  0
 20 22  2  0  0  0  0
M  END
>  <Mol_ID> (4,171)
4171

>  <Formula> (4,171)
C16H15NO4S

>  <MolWeight> (4,171)
317.3596

>  <COMPOUND_NAME> (4,171)
WAY-628706

>  <BAR_CODE_NO> (4,171)
90462967

$$$$
WAY-628720
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
    2.2042    0.1125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7542   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3417   -1.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5417   -1.0417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7417    0.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5792   -0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0250   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5458    0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7375    0.4250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8333   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0250   -1.0500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5458    1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8333    1.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1208    0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4083   -0.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6875    0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9167    0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1208    1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0667   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2167   -0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2708   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2708    1.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8875   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9750    0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9750    1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  2  2  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  6  1  0  0  0  0
  9 11  1  0  0  0  0
 10 18  1  0  0  0  0
 11 15  2  0  0  0  0
 12  8  2  0  0  0  0
 13 14  1  0  0  0  0
 14 19  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17  8  1  0  0  0  0
 18  7  2  0  0  0  0
 19 15  1  0  0  0  0
 20  7  1  0  0  0  0
 21 24  1  0  0  0  0
 22  9  1  0  0  0  0
 23 13  1  0  0  0  0
 24 20  2  0  0  0  0
 25 22  2  0  0  0  0
 26 23  2  0  0  0  0
  4  5  1  0  0  0  0
 21 10  2  0  0  0  0
 13  9  2  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (4,172)
4172

>  <Formula> (4,172)
C19H14N4O2S

>  <MolWeight> (4,172)
362.40506

>  <COMPOUND_NAME> (4,172)
WAY-628720

>  <BAR_CODE_NO> (4,172)
90462983

$$$$
WAY-628744-A
csChFnd80/06171916322D

 13 14  0  0  0  0  0  0  0  0999 V2000
    3.7917    0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0750   -0.2875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4750   -0.3375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.1125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3625    0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0750   -1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2625   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7292    0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3625   -1.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5625    0.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3292    1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1500    1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  9  1  0  0  0  0
  5  2  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  1  1  0  0  0  0
  9  5  1  0  0  0  0
 10  6  1  0  0  0  0
 11  7  1  0  0  0  0
 12  8  1  0  0  0  0
 13 12  1  0  0  0  0
 13 11  1  0  0  0  0
 10  4  1  0  0  0  0
M  END
>  <Mol_ID> (4,173)
4173

>  <Formula> (4,173)
C10H18N2O

>  <MolWeight> (4,173)
182.26272

>  <COMPOUND_NAME> (4,173)
WAY-628744-A

>  <BAR_CODE_NO> (4,173)
90463008

$$$$
WAY-628760
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -0.0708    0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    0.7333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1792   -0.7167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1125   -2.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708   -1.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708    1.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6000   -2.7875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583    0.3208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1125   -3.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583    1.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6667   -2.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6667   -3.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1750   -1.1625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1792    2.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708   -4.2417    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.9917    2.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708    2.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1125    3.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2417    3.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6917    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8  1  1  0  0  0  0
  9  7  1  0  0  0  0
 10  8  1  0  0  0  0
 11  4  2  0  0  0  0
 12 11  1  0  0  0  0
 13  5  2  0  0  0  0
 14  6  1  0  0  0  0
 15  9  1  0  0  0  0
 16 14  1  0  0  0  0
 17 14  2  0  0  0  0
 18 17  1  0  0  0  0
 19 16  2  0  0  0  0
 20 18  2  0  0  0  0
 10  6  2  0  0  0  0
 12  9  2  0  0  0  0
 20 19  1  0  0  0  0
M  END
>  <Mol_ID> (4,174)
4174

>  <Formula> (4,174)
C14H9ClN2OS2

>  <MolWeight> (4,174)
320.81706

>  <COMPOUND_NAME> (4,174)
WAY-628760

>  <BAR_CODE_NO> (4,174)
90463026

$$$$
WAY-628798
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -1.1250    0.2125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2958    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1667   -1.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833    1.4333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083    0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3417   -1.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6542   -1.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6542   -0.6375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4375   -0.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292   -0.5875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4375   -1.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0500    1.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292   -2.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042   -0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -2.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1375    2.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7208    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4708    1.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8958    2.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5583    2.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  6  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6 11  1  0  0  0  0
  7  3  2  0  0  0  0
  8  3  1  0  0  0  0
  9  5  2  0  0  0  0
 10  8  1  0  0  0  0
 11 15  1  0  0  0  0
 12  7  1  0  0  0  0
 13  2  1  0  0  0  0
 14  6  2  0  0  0  0
 15  5  1  0  0  0  0
 16  7  1  0  0  0  0
 17 13  1  0  0  0  0
 18 13  2  0  0  0  0
 19 18  1  0  0  0  0
 20 17  2  0  0  0  0
 21 19  2  0  0  0  0
  4  9  1  0  0  0  0
 21 20  1  0  0  0  0
 10 12  2  0  0  0  0
M  END
>  <Mol_ID> (4,175)
4175

>  <Formula> (4,175)
C16H13NO2S2

>  <MolWeight> (4,175)
315.40992

>  <COMPOUND_NAME> (4,175)
WAY-628798

>  <BAR_CODE_NO> (4,175)
90463070

$$$$
WAY-628803
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -0.4500    0.4333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667    0.0208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4500    1.2583    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.1625    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1625    1.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667    1.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8833    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8833    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458   -0.6917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792    0.7333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792   -1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667    2.4958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792    1.2583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6917   -1.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5958    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5958    1.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6917   -2.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4042   -1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3083    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3083    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1250   -1.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4042   -2.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1250   -2.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  1  0  0  0  0
  9  8  2  0  0  0  0
 10  2  2  0  0  0  0
 11  2  2  0  0  0  0
 12  6  2  0  0  0  0
 13  7  2  0  0  0  0
 14  7  1  0  0  0  0
 15 12  1  0  0  0  0
 16  8  1  0  0  0  0
 17  9  1  0  0  0  0
 18 15  1  0  0  0  0
 19 15  2  0  0  0  0
 20 21  1  0  0  0  0
 21 16  2  0  0  0  0
 22 19  1  0  0  0  0
 23 18  2  0  0  0  0
 24 22  2  0  0  0  0
  9  5  1  0  0  0  0
 17 20  2  0  0  0  0
 24 23  1  0  0  0  0
M  END
>  <Mol_ID> (4,176)
4176

>  <Formula> (4,176)
C18H17NO4S

>  <MolWeight> (4,176)
343.39688

>  <COMPOUND_NAME> (4,176)
WAY-628803

>  <BAR_CODE_NO> (4,176)
90463075

$$$$
WAY-628816
csChFnd80/06171916322D

 22 25  0  0  0  0  0  0  0  0999 V2000
    0.2250    0.6583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2083   -1.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4875   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2083   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4875    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2250    1.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9417    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208   -2.2292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4875   -2.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542    1.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2250   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2250   -1.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9417    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542    0.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4875   -3.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6333   -1.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9417    2.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3667    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6333   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542    3.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3667    2.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  3  2  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  2  1  0  0  0  0
  9 12  1  0  0  0  0
 10 14  1  0  0  0  0
 11  3  1  0  0  0  0
 12 11  2  0  0  0  0
 13  1  1  0  0  0  0
 14 13  1  0  0  0  0
 15  9  1  0  0  0  0
 16  4  1  0  0  0  0
 17 20  1  0  0  0  0
 18  7  1  0  0  0  0
 19 10  1  0  0  0  0
 20 16  2  0  0  0  0
 21 18  2  0  0  0  0
 22 19  2  0  0  0  0
 10  7  2  0  0  0  0
 21 22  1  0  0  0  0
  9  2  2  0  0  0  0
 17  8  2  0  0  0  0
M  END
>  <Mol_ID> (4,177)
4177

>  <Formula> (4,177)
C19H18N2O

>  <MolWeight> (4,177)
290.35902

>  <COMPOUND_NAME> (4,177)
WAY-628816

>  <BAR_CODE_NO> (4,177)
90463088

$$$$
WAY-628924
csChFnd80/06171916322D

 25 29  0  0  0  0  0  0  0  0999 V2000
    0.7125    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4250   -0.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1417    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4250   -0.9375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1417    1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083   -0.9375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4250    1.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125    1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083   -0.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125   -1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8625   -0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8542   -0.1125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8625   -0.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6458   -1.1917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6458    0.1458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1333   -0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1458   -1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333   -0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208   -1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1458    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4250    2.3625    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333   -0.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8542    1.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5667    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5667    1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  0  0  0  0
  5  7  2  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  8  1  2  0  0  0  0
  9  1  1  0  0  0  0
 10  6  1  0  0  0  0
 11 17  1  0  0  0  0
 12  3  1  0  0  0  0
 13 20  1  0  0  0  0
 14 11  1  0  0  0  0
 15 13  1  0  0  0  0
 16 14  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19  6  1  0  0  0  0
 20 22  2  0  0  0  0
 21  7  1  0  0  0  0
 22 18  1  0  0  0  0
 23  5  1  0  0  0  0
 24 12  2  0  0  0  0
 25 23  2  0  0  0  0
 10  4  1  0  0  0  0
  5  3  1  0  0  0  0
 25 24  1  0  0  0  0
 13 11  2  0  0  0  0
 16 15  1  0  0  0  0
M  END
>  <Mol_ID> (4,178)
4178

>  <Formula> (4,178)
C19H15ClN2O3

>  <MolWeight> (4,178)
354.787

>  <COMPOUND_NAME> (4,178)
WAY-628924

>  <BAR_CODE_NO> (4,178)
90463196

$$$$
WAY-628929
csChFnd80/06171916322D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.6257   -1.0079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7632   -1.7079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6257   -2.4246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9590   -2.8371    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9590   -0.5871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6118   -0.3246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6118   -3.1079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6118    1.0921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8118   -1.0246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1632   -1.7079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8118   -2.3871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6257    1.7921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8118    1.7921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6257    3.2088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8118    3.1921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6118    3.8713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0285   -3.0871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6243    5.2546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  6  1  0  0  0  0
  9  6  2  0  0  0  0
 10  2  2  0  0  0  0
 11  9  1  0  0  0  0
 12  8  2  0  0  0  0
 13  8  1  0  0  0  0
 14 12  1  0  0  0  0
 15 13  2  0  0  0  0
 16 15  1  0  0  0  0
 17 11  1  0  0  0  0
 18 16  1  0  0  0  0
  4  2  1  0  0  0  0
 11  7  2  0  0  0  0
 14 16  2  0  0  0  0
M  END
>  <Mol_ID> (4,179)
4179

>  <Formula> (4,179)
C14H10O3S

>  <MolWeight> (4,179)
258.2924

>  <COMPOUND_NAME> (4,179)
WAY-628929

>  <BAR_CODE_NO> (4,179)
90463201

$$$$
WAY-628931
csChFnd80/06171916322D

 21 24  0  0  0  0  0  0  0  0999 V2000
   -1.1625    0.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458    0.9125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1625    0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7000    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7000    0.1125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6625    1.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6625    0.2125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458    0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9708    0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167    1.1708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7000    1.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2875    1.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4625    0.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8042    1.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667    1.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7000    1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7458    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2625    0.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2208    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5000    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  2  1  0  0  0  0
  9  6  2  0  0  0  0
 10  2  1  0  0  0  0
 11  4  2  0  0  0  0
 12 10  1  0  0  0  0
 13 10  1  0  0  0  0
 14  9  1  0  0  0  0
 15 13  2  0  0  0  0
 16 12  2  0  0  0  0
 17 14  1  0  0  0  0
 18 14  2  0  0  0  0
 19 18  1  0  0  0  0
 20 17  2  0  0  0  0
 21 19  2  0  0  0  0
  7  9  1  0  0  0  0
  8  5  2  0  0  0  0
 16 15  1  0  0  0  0
 21 20  1  0  0  0  0
M  END
>  <Mol_ID> (4,180)
4180

>  <Formula> (4,180)
C16H11N3OS

>  <MolWeight> (4,180)
293.34304

>  <COMPOUND_NAME> (4,180)
WAY-628931

>  <BAR_CODE_NO> (4,180)
90463203

$$$$
WAY-628956
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -1.8875   -0.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3750   -0.2792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3750   -1.6125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.6500    1.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0625   -0.9417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8875    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0625    1.9125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8875    1.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583   -1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0625    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3000    1.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6500   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8250    1.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8750   -1.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6500   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3000    2.6250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0625    0.4833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8750   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4125    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5958   -1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5875    0.4833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1750   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8250   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5958   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3000   -1.7667    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.3000   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4 14  1  0  0  0  0
  5  1  1  0  0  0  0
  6 10  1  0  0  0  0
  7  4  1  0  0  0  0
  8  7  1  0  0  0  0
  9  3  1  0  0  0  0
 10 16  1  0  0  0  0
 11  6  2  0  0  0  0
 12  2  1  0  0  0  0
 13  5  1  0  0  0  0
 14 20  2  0  0  0  0
 15  9  1  0  0  0  0
 16 24  2  0  0  0  0
 17  8  2  0  0  0  0
 18 13  2  0  0  0  0
 19 12  1  0  0  0  0
 20 22  1  0  0  0  0
 21 15  2  0  0  0  0
 22 23  1  0  0  0  0
 23 13  1  0  0  0  0
 24 20  1  0  0  0  0
 25 19  2  0  0  0  0
 26 21  1  0  0  0  0
 27  6  1  0  0  0  0
  9 12  2  0  0  0  0
 21 25  1  0  0  0  0
 10  4  2  0  0  0  0
  8 11  1  0  0  0  0
M  END
>  <Mol_ID> (4,181)
4181

>  <Formula> (4,181)
C19H13FN2O4S

>  <MolWeight> (4,181)
384.3809232

>  <COMPOUND_NAME> (4,181)
WAY-628956

>  <BAR_CODE_NO> (4,181)
90463229

$$$$
WAY-628967
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    0.5448   -1.3296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5448   -1.3296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0862   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0862   -2.2710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0862   -0.3917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0862   -2.2710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1724   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5448   -3.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1724   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5448   -3.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7172    0.5462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7172   -1.3296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7172    0.5462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7172   -1.3296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1724    1.4876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    0.5462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8000    0.5462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1724    1.4876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7172    2.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3448    1.4876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3448    1.4876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7172    2.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    2.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8000    2.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  7 12  2  0  0  0  0
  9 13  1  0  0  0  0
  9 14  2  0  0  0  0
 11 15  2  0  0  0  0
 11 16  1  0  0  0  0
 13 17  2  0  0  0  0
 13 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  2  0  0  0  0
 17 21  1  0  0  0  0
 18 22  2  0  0  0  0
 19 23  2  0  0  0  0
 21 24  2  0  0  0  0
  8 10  1  0  0  0  0
 20 23  1  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <Mol_ID> (4,182)
4182

>  <Formula> (4,182)
C21H16O3

>  <MolWeight> (4,182)
316.34994

>  <COMPOUND_NAME> (4,182)
WAY-628967

>  <BAR_CODE_NO> (4,182)
90463240

$$$$
WAY-628972
csChFnd80/06171916322D

 19 22  0  0  0  0  0  0  0  0999 V2000
   -0.6375    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8958   -0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1417    0.7958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208    1.2083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6375    1.8750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6750   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1417    1.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4083   -0.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6750   -1.3250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8958   -1.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917    0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917    2.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5583   -2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5917    0.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5917    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2625   -2.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9542    1.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  4  1  0  0  0  0
  6  2  2  0  0  0  0
  7  3  1  0  0  0  0
  8  2  1  0  0  0  0
  9  6  1  0  0  0  0
 10  8  2  0  0  0  0
 11  3  1  0  0  0  0
 12  7  1  0  0  0  0
 13  8  1  0  0  0  0
 14 10  1  0  0  0  0
 15 11  1  0  0  0  0
 16 12  1  0  0  0  0
 17 13  2  0  0  0  0
 18 17  1  0  0  0  0
 19 15  1  0  0  0  0
  5  7  2  0  0  0  0
 10  9  1  0  0  0  0
 16 19  1  0  0  0  0
 18 14  2  0  0  0  0
M  END
>  <Mol_ID> (4,183)
4183

>  <Formula> (4,183)
C15H16N4

>  <MolWeight> (4,183)
252.31434

>  <COMPOUND_NAME> (4,183)
WAY-628972

>  <BAR_CODE_NO> (4,183)
90463245

$$$$
WAY-628980
csChFnd80/06171916322D

 22 25  0  0  0  0  0  0  0  0999 V2000
   -1.4412   -0.2652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4171   -0.2652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5654    0.1348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3481   -1.2583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9136    0.5762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9309   -1.1238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0864   -0.5893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3930   -1.4479    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9067    0.5935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3964    1.4555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9067   -1.1238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0588   -0.3790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4412   -0.2272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3829    0.5176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7277   -1.1238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3381    0.7107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6829   -0.9134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9864    0.0038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6450    1.6245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9243    0.1762    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5795    1.8348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2484    1.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  9 13  2  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
  7  8  1  0  0  0  0
 11 13  1  0  0  0  0
 17 18  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (4,184)
4184

>  <Formula> (4,184)
C17H14N2O3

>  <MolWeight> (4,184)
294.30466

>  <COMPOUND_NAME> (4,184)
WAY-628980

>  <BAR_CODE_NO> (4,184)
90463253

$$$$
WAY-628985
csChFnd80/06171916322D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -0.2687    0.2783    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2687    1.0616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4771    0.0408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9313    0.6866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4771    1.2991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6938   -2.7592    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9437   -0.1092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4438   -2.0217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9437    1.4533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6187    0.2866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6187    1.0533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7188   -0.6967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7188    0.7033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2021   -1.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  2  2  0  0  0  0
  6  8  3  0  0  0  0
  7  1  1  0  0  0  0
  8 14  1  0  0  0  0
  9  2  1  0  0  0  0
 10  7  2  0  0  0  0
 11 10  1  0  0  0  0
 12  3  1  0  0  0  0
 13  4  1  0  0  0  0
 14 12  1  0  0  0  0
  4  5  1  0  0  0  0
  9 11  2  0  0  0  0
M  END
>  <Mol_ID> (4,185)
4185

>  <Formula> (4,185)
C12H12N2

>  <MolWeight> (4,185)
184.23708

>  <COMPOUND_NAME> (4,185)
WAY-628985

>  <BAR_CODE_NO> (4,185)
90463259

$$$$
WAY-628999
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -0.3958   -0.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833   -1.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833    0.0083    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.6250    0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6708   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6708   -1.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1792    0.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292    1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292   -0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7292    0.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2417    1.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6250   -2.1167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417    0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417   -1.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7917    1.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208    2.3583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5375    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3833    0.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6667    0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6667   -1.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0792   -0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3833   -1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6000    1.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9042   -0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0958   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0958   -1.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8  7  2  0  0  0  0
  9  1  1  0  0  0  0
 10  7  1  0  0  0  0
 11  8  1  0  0  0  0
 12  2  2  0  0  0  0
 13  4  2  0  0  0  0
 14  9  1  0  0  0  0
 15  9  2  0  0  0  0
 16 18  1  0  0  0  0
 17  8  1  0  0  0  0
 18 10  2  0  0  0  0
 19  5  1  0  0  0  0
 20 14  2  0  0  0  0
 21 15  1  0  0  0  0
 22 21  2  0  0  0  0
 23  6  1  0  0  0  0
 24 16  1  0  0  0  0
 25 22  1  0  0  0  0
 26 19  2  0  0  0  0
 27 23  2  0  0  0  0
  6  5  2  0  0  0  0
 20 22  1  0  0  0  0
 27 26  1  0  0  0  0
 16 11  2  0  0  0  0
M  END
>  <Mol_ID> (4,186)
4186

>  <Formula> (4,186)
C22H17NO4

>  <MolWeight> (4,186)
359.37468

>  <COMPOUND_NAME> (4,186)
WAY-628999

>  <BAR_CODE_NO> (4,186)
90463275

$$$$
WAY-629025
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
    0.5733   -0.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1767    0.1041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3440   -0.6648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0595   -1.3821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0147    0.8248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0250   -0.2476    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8577    0.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8577   -1.4166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9526   -1.1511    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6560   -2.2200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7112    1.3731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1319    1.2007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7405   -0.2028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7405   -1.1304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2474   -1.8097    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.2492   -3.0786    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.5595   -2.6131    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.5940    2.3007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5802    0.9903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0526    2.1283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5336    0.2627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5336   -1.5924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7733    2.6421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3440   -0.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3440   -1.1407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6457    3.5903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2129    3.9386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
 10 17  1  0  0  0  0
 11 18  2  0  0  0  0
 11 19  1  0  0  0  0
 12 20  1  0  0  0  0
 13 21  1  0  0  0  0
 14 22  1  0  0  0  0
 18 23  1  0  0  0  0
 21 24  2  0  0  0  0
 22 25  2  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
  6  9  1  0  0  0  0
 13 14  2  0  0  0  0
 20 23  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (4,187)
4187

>  <Formula> (4,187)
C19H13F3N2O3

>  <MolWeight> (4,187)
374.3133296

>  <COMPOUND_NAME> (4,187)
WAY-629025

>  <BAR_CODE_NO> (4,187)
90463301

$$$$
WAY-629049
csChFnd80/06171916322D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -0.9440    0.4182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0578    0.0562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0008   -0.2645    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5820    1.5286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9268    0.8389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2992   -1.0818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9422    0.4182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5801    1.5286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0371    0.4769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4095   -1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0560    0.0562    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2785   -0.6611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3008   -1.0818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9249    0.8389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4111   -1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0387    0.4769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2801   -0.6611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
  7  8  2  0  0  0  0
 10 12  2  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (4,188)
4188

>  <Formula> (4,188)
C14H15NOS

>  <MolWeight> (4,188)
245.34

>  <COMPOUND_NAME> (4,188)
WAY-629049

>  <BAR_CODE_NO> (4,188)
90463325

$$$$
WAY-629079
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -1.6250   -0.7292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583   -0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6250    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458   -0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458    0.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3458    0.5083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667   -0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3458   -1.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792    0.3958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0583   -0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5875   -1.7667    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.0583    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7042    0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667    1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167   -0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167    1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583    1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9417    1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9417   -0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3542    0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  2  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8  1  1  0  0  0  0
  9  7  1  0  0  0  0
 10  8  2  0  0  0  0
 11  4  1  0  0  0  0
 12 10  1  0  0  0  0
 13  9  1  0  0  0  0
 14  9  1  0  0  0  0
 15 13  1  0  0  0  0
 16 13  1  0  0  0  0
 17 14  1  0  0  0  0
 18 16  1  0  0  0  0
 19 15  1  0  0  0  0
 20 18  1  0  0  0  0
  5  2  1  0  0  0  0
 12  6  2  0  0  0  0
 20 19  1  0  0  0  0
M  END
>  <Mol_ID> (4,189)
4189

>  <Formula> (4,189)
C15H21BrN4

>  <MolWeight> (4,189)
337.25804

>  <COMPOUND_NAME> (4,189)
WAY-629079

>  <BAR_CODE_NO> (4,189)
90463357

$$$$
WAY-629114
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -0.3833    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042    0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042    1.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0542   -3.1625    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.2083    0.7458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1500   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1500    2.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8917    1.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5042   -2.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8917    0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042   -3.9417    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8667   -2.9917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3375    2.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042   -1.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8583    0.7458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7625   -1.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   -2.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1500   -2.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   -1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6208    1.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6208    0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9333    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    1.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1500    3.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9333    3.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  9  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  2  0  0  0  0
  7  3  1  0  0  0  0
  8  3  1  0  0  0  0
  9 16  1  0  0  0  0
 10  2  1  0  0  0  0
 11  4  1  0  0  0  0
 12  4  2  0  0  0  0
 13  7  2  0  0  0  0
 14  6  1  0  0  0  0
 15 24  1  0  0  0  0
 16 19  2  0  0  0  0
 17 18  1  0  0  0  0
 18 14  2  0  0  0  0
 19 14  1  0  0  0  0
 20  5  1  0  0  0  0
 21  5  1  0  0  0  0
 22  7  1  0  0  0  0
 23 20  1  0  0  0  0
 24 21  1  0  0  0  0
 25 13  1  0  0  0  0
 26 22  1  0  0  0  0
  8 10  1  0  0  0  0
 15 23  1  0  0  0  0
 26 25  1  0  0  0  0
  9 17  2  0  0  0  0
M  END
>  <Mol_ID> (4,190)
4190

>  <Formula> (4,190)
C21H24N2O3

>  <MolWeight> (4,190)
352.42686

>  <COMPOUND_NAME> (4,190)
WAY-629114

>  <BAR_CODE_NO> (4,190)
90463395

$$$$
WAY-629131
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    3.5167    2.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6917    2.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2375    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2375    2.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0417    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2792    1.5875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167    0.8708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2792    3.0208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542    0.1583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333   -1.9875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542    1.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958    0.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2583   -1.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208    0.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167   -0.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333   -0.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6708   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6708   -2.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4958   -2.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4958   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9083   -1.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5 11  1  0  0  0  0
  6  2  1  0  0  0  0
  7  5  1  0  0  0  0
  8  2  2  0  0  0  0
  9  5  2  0  0  0  0
 10 13  1  0  0  0  0
 11  6  1  0  0  0  0
 12  7  1  0  0  0  0
 13 17  2  0  0  0  0
 14 10  1  0  0  0  0
 15 12  1  0  0  0  0
 16 12  2  0  0  0  0
 17 16  1  0  0  0  0
 18 15  2  0  0  0  0
 19 14  1  0  0  0  0
 20 14  2  0  0  0  0
 21 20  1  0  0  0  0
 22 19  2  0  0  0  0
 23 21  2  0  0  0  0
  4  3  1  0  0  0  0
 13 18  1  0  0  0  0
 23 22  1  0  0  0  0
M  END
>  <Mol_ID> (4,191)
4191

>  <Formula> (4,191)
C18H17NO4

>  <MolWeight> (4,191)
311.33188

>  <COMPOUND_NAME> (4,191)
WAY-629131

>  <BAR_CODE_NO> (4,191)
90463412

$$$$
WAY-629160
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -0.2083    3.0458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083    1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792    2.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958    2.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542   -4.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9875   -2.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0875   -4.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000   -3.4042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.1000    2.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292    0.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -0.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792    0.1083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6500   -1.9792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9500    0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042   -2.8167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0875   -5.4917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208   -0.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3250   -3.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1292   -1.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833   -4.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4292    1.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417    3.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7083    3.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7083    1.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083    4.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4208    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4208    2.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  9  1  0  0  0  0
  7 14  1  0  0  0  0
  8  6  1  0  0  0  0
  9  7  1  0  0  0  0
 10  3  1  0  0  0  0
 11  2  1  0  0  0  0
 12 13  1  0  0  0  0
 13 15  1  0  0  0  0
 14 20  1  0  0  0  0
 15 22  1  0  0  0  0
 16  7  2  0  0  0  0
 17  8  2  0  0  0  0
 18 12  2  0  0  0  0
 19  9  1  0  0  0  0
 20 12  1  0  0  0  0
 21 19  1  0  0  0  0
 22 10  2  0  0  0  0
 23  1  1  0  0  0  0
 24  4  1  0  0  0  0
 25  5  1  0  0  0  0
 26 23  1  0  0  0  0
 27 28  1  0  0  0  0
 28 24  2  0  0  0  0
  2  5  1  0  0  0  0
 27 25  2  0  0  0  0
 15 11  2  0  0  0  0
  8 21  1  0  0  0  0
M  END
>  <Mol_ID> (4,192)
4192

>  <Formula> (4,192)
C21H21N3O4

>  <MolWeight> (4,192)
379.40914

>  <COMPOUND_NAME> (4,192)
WAY-629160

>  <BAR_CODE_NO> (4,192)
90463442

$$$$
WAY-629173
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -1.2958   -0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0000   -0.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7208    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208    0.2750    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.7208   -0.5625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0125    0.6958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6125    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458   -0.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2125   -0.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4083    0.7083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208   -1.8167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000   -0.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9500   -1.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    0.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7167   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500    1.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7375    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417   -1.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7167    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3250    1.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1625   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4167    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542    2.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417    1.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1500    0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  6  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  1  1  0  0  0  0
  8  4  1  0  0  0  0
  9  8  2  0  0  0  0
 10  7  1  0  0  0  0
 11  3  2  0  0  0  0
 12  7  2  0  0  0  0
 13 10  1  0  0  0  0
 14  2  1  0  0  0  0
 15  9  1  0  0  0  0
 16 13  1  0  0  0  0
 17 15  2  0  0  0  0
 18 15  1  0  0  0  0
 19 16  1  0  0  0  0
 20 16  2  0  0  0  0
 21 18  2  0  0  0  0
 22 19  2  0  0  0  0
 23 20  1  0  0  0  0
 24 17  1  0  0  0  0
 25 21  1  0  0  0  0
 26 23  2  0  0  0  0
  5  3  1  0  0  0  0
 26 22  1  0  0  0  0
 25 24  2  0  0  0  0
M  END
>  <Mol_ID> (4,193)
4193

>  <Formula> (4,193)
C21H20N2O3

>  <MolWeight> (4,193)
348.3951

>  <COMPOUND_NAME> (4,193)
WAY-629173

>  <BAR_CODE_NO> (4,193)
90463456

$$$$
WAY-629196
csChFnd80/06171916322D

 22 25  0  0  0  0  0  0  0  0999 V2000
    0.4917    2.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917    1.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2750    2.6208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2750    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2250    1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2250    2.7750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9375    1.5375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2250   -2.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2250    0.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9375    2.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9375   -2.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3875   -2.7250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7708   -3.3917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542   -3.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2250   -1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6583   -2.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9375   -0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9375   -0.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6583   -1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5292    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5792    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8 11  1  0  0  0  0
  9 16  1  0  0  0  0
 10  6  1  0  0  0  0
 11  7  2  0  0  0  0
 12 17  1  0  0  0  0
 13  9  1  0  0  0  0
 14 12  1  0  0  0  0
 15 13  1  0  0  0  0
 16 18  2  0  0  0  0
 17 20  2  0  0  0  0
 18 19  1  0  0  0  0
 19 10  1  0  0  0  0
 20 18  1  0  0  0  0
 21  4  1  0  0  0  0
 22  5  1  0  0  0  0
  4  5  2  0  0  0  0
  8  6  2  0  0  0  0
 12  9  2  0  0  0  0
 15 14  1  0  0  0  0
M  END
>  <Mol_ID> (4,194)
4194

>  <Formula> (4,194)
C16H15N3O2S

>  <MolWeight> (4,194)
313.3742

>  <COMPOUND_NAME> (4,194)
WAY-629196

>  <BAR_CODE_NO> (4,194)
90463482

$$$$
WAY-629250
csChFnd80/06171916322D

 31 35  0  0  0  0  0  0  0  0999 V2000
    0.2542   -2.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2500    2.4333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4708    2.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167    2.8458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042   -1.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0417   -3.4417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0417   -2.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4708    3.5083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2500    3.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542   -3.6917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333   -3.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542   -0.9625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2125    1.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8083   -1.4042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7042   -2.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3000   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7625    0.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8958    1.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8500    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8958    3.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0583   -3.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4625   -2.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6250   -1.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7000    3.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2917   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1292   -1.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0583    2.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0417   -1.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3 13  1  0  0  0  0
  4  3  2  0  0  0  0
  5  1  1  0  0  0  0
  6  7  2  0  0  0  0
  7  1  1  0  0  0  0
  8  4  1  0  0  0  0
  9  2  1  0  0  0  0
 10 11  1  0  0  0  0
 11  1  2  0  0  0  0
 12  5  1  0  0  0  0
 13 17  1  0  0  0  0
 14  5  2  0  0  0  0
 15  7  1  0  0  0  0
 16 12  1  0  0  0  0
 17 21  2  0  0  0  0
 18 20  1  0  0  0  0
 19  2  1  0  0  0  0
 20 16  2  0  0  0  0
 21 16  1  0  0  0  0
 22  9  1  0  0  0  0
 23 11  1  0  0  0  0
 24 15  1  0  0  0  0
 25 15  2  0  0  0  0
 26 19  1  0  0  0  0
 27 22  1  0  0  0  0
 28 25  1  0  0  0  0
 29 24  2  0  0  0  0
 30 26  1  0  0  0  0
 31 28  2  0  0  0  0
  6 10  1  0  0  0  0
 31 29  1  0  0  0  0
 13 18  2  0  0  0  0
  9  8  2  0  0  0  0
 30 27  1  0  0  0  0
M  END
>  <Mol_ID> (4,195)
4195

>  <Formula> (4,195)
C24H23N5O2

>  <MolWeight> (4,195)
413.47172

>  <COMPOUND_NAME> (4,195)
WAY-629250

>  <BAR_CODE_NO> (4,195)
90463537

$$$$
WAY-629263
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    5.0292    0.4333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8333    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1125   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3167    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8333    0.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6875   -0.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4000    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5458   -0.3917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5458    1.2583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542    0.0208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292    0.8458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1125    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7417   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6000   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1667   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4000    0.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875   -1.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2583    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2583    0.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6000   -1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1667   -1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  8  2  0  0  0  0
  4  1  3  0  0  0  0
  5 14  1  0  0  0  0
  6 13  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
  9  2  1  0  0  0  0
 10  6  1  0  0  0  0
 11 16  1  0  0  0  0
 12  5  2  0  0  0  0
 13 17  2  0  0  0  0
 14 11  1  0  0  0  0
 15  4  1  0  0  0  0
 16 18  2  0  0  0  0
 17  8  1  0  0  0  0
 18 15  1  0  0  0  0
 19 22  1  0  0  0  0
 20  9  1  0  0  0  0
 21 10  1  0  0  0  0
 22 15  2  0  0  0  0
 23 19  2  0  0  0  0
 23 16  1  0  0  0  0
  6  2  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (4,196)
4196

>  <Formula> (4,196)
C17H15N3O3

>  <MolWeight> (4,196)
309.3193

>  <COMPOUND_NAME> (4,196)
WAY-629263

>  <BAR_CODE_NO> (4,196)
90463551

$$$$
WAY-629266
csChFnd80/06171916322D

 36 40  0  0  0  0  0  0  0  0999 V2000
   -1.2708   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9875    1.0083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9875   -0.6417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5583   -0.6417    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.5583    1.0083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5583   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667    1.8333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667    0.1833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7000    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7000   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542   -1.8792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5875    2.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5583    1.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542    2.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708   -1.8792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5875    3.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3000    1.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542   -2.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0167    3.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0167    2.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3000    3.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7292    3.4833    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667   -3.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4208   -0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4208    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667   -3.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5875   -2.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1333    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1333   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3000   -3.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5875   -4.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3000   -3.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  5  1  0  0  0  0
  8 18  1  0  0  0  0
  9  5  1  0  0  0  0
 10  9  3  0  0  0  0
 11 12  1  0  0  0  0
 12  4  2  0  0  0  0
 13  7  1  0  0  0  0
 14  8  1  0  0  0  0
 15  6  1  0  0  0  0
 16  6  1  0  0  0  0
 17 15  1  0  0  0  0
 18 16  1  0  0  0  0
 19  7  2  0  0  0  0
 20 14  1  0  0  0  0
 21 14  2  0  0  0  0
 22 13  1  0  0  0  0
 23 24  2  0  0  0  0
 24 21  1  0  0  0  0
 25 20  2  0  0  0  0
 26 23  1  0  0  0  0
 27 22  1  0  0  0  0
 28 12  1  0  0  0  0
 29 11  1  0  0  0  0
 30 27  1  0  0  0  0
 31 27  2  0  0  0  0
 32 33  1  0  0  0  0
 33 28  2  0  0  0  0
 34 31  1  0  0  0  0
 35 30  2  0  0  0  0
 36 34  2  0  0  0  0
 11  3  2  0  0  0  0
  8 17  1  0  0  0  0
 29 32  2  0  0  0  0
 36 35  1  0  0  0  0
 25 23  1  0  0  0  0
M  END
>  <Mol_ID> (4,197)
4197

>  <Formula> (4,197)
C28H25FN6O

>  <MolWeight> (4,197)
480.5361032

>  <COMPOUND_NAME> (4,197)
WAY-629266

>  <BAR_CODE_NO> (4,197)
90463554

$$$$
WAY-629282
csChFnd80/06171916322D

 30 35  0  0  0  0  0  0  0  0999 V2000
   -0.2750    0.0083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042   -0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333   -0.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1250   -1.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958   -0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542    0.7625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2208   -1.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2208   -1.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333   -2.1667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792    0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292   -0.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667    0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    1.6083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9333   -0.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5833    0.5958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3667    2.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9333   -2.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9542    3.1583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1792    2.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042    3.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2625    3.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0375    1.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6458   -1.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6458   -1.9125    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.5125   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1792    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3583   -2.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3292   -1.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6667   -0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  6  1  0  0  0  0
  4  3  2  0  0  0  0
  5  2  2  0  0  0  0
  6  1  1  0  0  0  0
  7  1  1  0  0  0  0
  8  3  1  0  0  0  0
  9  8  2  0  0  0  0
 10  4  1  0  0  0  0
 11  7  2  0  0  0  0
 12  2  1  0  0  0  0
 13 11  1  0  0  0  0
 14 11  1  0  0  0  0
 15  8  1  0  0  0  0
 16  6  2  0  0  0  0
 17 23  1  0  0  0  0
 18  9  1  0  0  0  0
 19 17  1  0  0  0  0
 20 17  2  0  0  0  0
 21 19  1  0  0  0  0
 22 20  1  0  0  0  0
 23 14  1  0  0  0  0
 24 15  1  0  0  0  0
 25 24  1  0  0  0  0
 26 12  1  0  0  0  0
 27 13  1  0  0  0  0
 28 25  1  0  0  0  0
 29 26  2  0  0  0  0
 30 27  2  0  0  0  0
  5  4  1  0  0  0  0
 13 12  2  0  0  0  0
 10  9  1  0  0  0  0
 30 29  1  0  0  0  0
 25 18  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (4,198)
4198

>  <Formula> (4,198)
C23H20N4O2S

>  <MolWeight> (4,198)
416.4955

>  <COMPOUND_NAME> (4,198)
WAY-629282

>  <BAR_CODE_NO> (4,198)
90463570

$$$$
WAY-629302
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.5542    0.9125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542    2.2458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0375    1.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333    1.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8042    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542   -0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5125   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167   -1.4417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458   -1.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8625    1.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458    0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458    2.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2750    2.2958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458   -1.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167   -2.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6583    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6583    1.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3375   -3.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4000   -2.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458   -3.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
 11  3  1  0  0  0  0
 12  4  1  0  0  0  0
 13  5  1  0  0  0  0
 14 11  1  0  0  0  0
 15 10  1  0  0  0  0
 16 10  2  0  0  0  0
 17 12  2  0  0  0  0
 18 17  1  0  0  0  0
 19 16  1  0  0  0  0
 20 15  2  0  0  0  0
 21 19  2  0  0  0  0
  5  2  1  0  0  0  0
 18 13  2  0  0  0  0
 21 20  1  0  0  0  0
M  END
>  <Mol_ID> (4,199)
4199

>  <Formula> (4,199)
C17H16N2O2

>  <MolWeight> (4,199)
280.32114

>  <COMPOUND_NAME> (4,199)
WAY-629302

>  <BAR_CODE_NO> (4,199)
90463591

$$$$
WAY-629314
csChFnd80/06171916322D

 29 33  0  0  0  0  0  0  0  0999 V2000
   -4.0083    1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292    0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167    0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5250    0.3458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542   -0.6375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5250    1.6833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5417   -1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7375    0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292   -0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7375    1.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5417    0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542    0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5958    0.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0250    0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5417   -1.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3083    0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8333    1.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167    1.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542   -3.1125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0250    1.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3083    1.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542   -2.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5417    1.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9750    0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292   -2.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5417   -3.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292   -3.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542    1.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9750    1.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3 13  1  0  0  0  0
  4  1  1  0  0  0  0
  5 12  2  0  0  0  0
  6  1  1  0  0  0  0
  7  9  2  0  0  0  0
  8  4  1  0  0  0  0
  9  2  1  0  0  0  0
 10  6  1  0  0  0  0
 11  2  2  0  0  0  0
 12 11  1  0  0  0  0
 13 16  1  0  0  0  0
 14  8  1  0  0  0  0
 15  7  1  0  0  0  0
 16 14  2  0  0  0  0
 17  1  2  0  0  0  0
 18  3  2  0  0  0  0
 19 22  1  0  0  0  0
 20 10  1  0  0  0  0
 21 20  2  0  0  0  0
 22 15  2  0  0  0  0
 23 11  1  0  0  0  0
 24 12  1  0  0  0  0
 25 15  1  0  0  0  0
 26 27  1  0  0  0  0
 27 25  2  0  0  0  0
 28 23  2  0  0  0  0
 29 28  1  0  0  0  0
  8 10  2  0  0  0  0
 21 16  1  0  0  0  0
  5  7  1  0  0  0  0
 29 24  2  0  0  0  0
 26 19  2  0  0  0  0
M  END
>  <Mol_ID> (4,200)
4200

>  <Formula> (4,200)
C22H15N5O2

>  <MolWeight> (4,200)
381.3868

>  <COMPOUND_NAME> (4,200)
WAY-629314

>  <BAR_CODE_NO> (4,200)
90463605

$$$$
WAY-629413
csChFnd80/06171916322D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.0792    0.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5625    0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458    0.9458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042   -0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542   -1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5625    1.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6667   -0.9542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3958    0.9458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3417    0.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042   -1.9042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3417    1.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1583    1.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1583    0.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9833    0.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9833    1.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542   -2.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042   -3.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  4  1  0  0  0  0
  6  1  2  0  0  0  0
  7  5  2  0  0  0  0
  8 14  1  0  0  0  0
  9  2  1  0  0  0  0
 10  5  1  0  0  0  0
 11  6  1  0  0  0  0
 12  3  1  0  0  0  0
 13  3  1  0  0  0  0
 14 13  1  0  0  0  0
 15 12  1  0  0  0  0
 16 10  1  0  0  0  0
 17 16  1  0  0  0  0
 11  9  1  0  0  0  0
  8 15  1  0  0  0  0
M  END
>  <Mol_ID> (4,201)
4201

>  <Formula> (4,201)
C13H19NO3

>  <MolWeight> (4,201)
237.29486

>  <COMPOUND_NAME> (4,201)
WAY-629413

>  <BAR_CODE_NO> (4,201)
90463710

$$$$
WAY-629450-A
csChFnd80/06171916322D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -0.5684    0.5230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5684   -0.8735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6420    1.2299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7891    1.2299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6420   -1.5770    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7891   -1.5770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8592    0.5230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6420    2.6334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0063    0.5230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7891    2.6334    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8592   -0.8735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0063   -0.8735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0799    1.2299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0799   -1.5770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3925   -0.6287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4891   -2.1942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2972    0.5230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2972   -0.8735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  2  0  0  0  0
 11 14  2  0  0  0  0
 12 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (4,202)
4202

>  <Formula> (4,202)
C16H17NO

>  <MolWeight> (4,202)
239.31228

>  <COMPOUND_NAME> (4,202)
WAY-629450-A

>  <BAR_CODE_NO> (4,202)
90463749

$$$$
WAY-629504
csChFnd80/06171916322D

 23 26  0  0  0  0  0  0  0  0999 V2000
   -0.7833    0.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833    1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708   -0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5708   -0.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708    1.4458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6417    0.2083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6417    1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5708    1.2875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0583    0.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667    1.0333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8250   -0.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3542    1.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708   -1.0292    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.5042    0.2083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7875    1.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667    0.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7875   -0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5042    1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708   -1.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6333   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8833   -1.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5250   -2.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3333   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  2  2  0  0  0  0
  6  3  1  0  0  0  0
  7  6  2  0  0  0  0
  8  2  1  0  0  0  0
  9  4  2  0  0  0  0
 10 12  1  0  0  0  0
 11  4  1  0  0  0  0
 12  7  1  0  0  0  0
 13  3  1  0  0  0  0
 14 17  1  0  0  0  0
 15 10  1  0  0  0  0
 16 10  1  0  0  0  0
 17 16  1  0  0  0  0
 18 15  1  0  0  0  0
 19 11  2  0  0  0  0
 20 11  1  0  0  0  0
 21 20  2  0  0  0  0
 22 19  1  0  0  0  0
 23 21  1  0  0  0  0
  9  8  1  0  0  0  0
  7  5  1  0  0  0  0
 23 22  2  0  0  0  0
 14 18  1  0  0  0  0
M  END
>  <Mol_ID> (4,203)
4203

>  <Formula> (4,203)
C17H16ClN3OS

>  <MolWeight> (4,203)
345.84644

>  <COMPOUND_NAME> (4,203)
WAY-629504

>  <BAR_CODE_NO> (4,203)
90463804

$$$$
WAY-629505
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -1.6137   -0.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7689    0.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4516    0.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6137   -1.4034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0691   -0.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7689    1.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2792   -0.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4516    1.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0691   -1.4034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1001    1.5241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6137    1.5034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1171    0.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2896    1.4966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7484   -2.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9691    1.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1309    1.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5001   -3.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6863   -1.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8346    1.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1863   -3.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3829   -2.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7104    1.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8346    2.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1311   -3.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5829    1.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7104    3.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5829    2.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 12 16  2  0  0  0  0
 14 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  1  0  0  0  0
 17 20  2  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 19 23  2  0  0  0  0
 20 24  1  0  0  0  0
 22 25  2  0  0  0  0
 23 26  1  0  0  0  0
 25 27  1  0  0  0  0
  5  9  1  0  0  0  0
 13 16  1  0  0  0  0
 21 24  2  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <Mol_ID> (4,204)
4204

>  <Formula> (4,204)
C22H18N4O

>  <MolWeight> (4,204)
354.40452

>  <COMPOUND_NAME> (4,204)
WAY-629505

>  <BAR_CODE_NO> (4,204)
90463805

$$$$
WAY-629535
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.6660   -0.0843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6660   -1.1498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6315    0.2053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7936    0.3984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6315   -1.4395    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7936   -1.6326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2108   -0.5671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0522    1.1260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0522    1.0295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0754   -0.0843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9556   -2.4533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0754   -1.1498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2763   -0.5188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9133    0.4640    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8030    0.0122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6409    0.5605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8651   -1.0016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5754    1.6088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5582    0.1088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4444    2.1881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4133    0.6743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3651    1.7053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  2  0  0  0  0
 10 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
  5  7  1  0  0  0  0
 10 12  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (4,205)
4205

>  <Formula> (4,205)
C19H20N2O

>  <MolWeight> (4,205)
292.3749

>  <COMPOUND_NAME> (4,205)
WAY-629535

>  <BAR_CODE_NO> (4,205)
90463839

$$$$
WAY-629545
csChFnd80/06171916322D

 17 18  0  0  0  0  0  0  0  0999 V2000
    3.1750    0.1583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0375    1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9917   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292    1.7333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0542    0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708    0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9708   -1.7792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9250   -0.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2333   -0.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9792    2.3000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292   -1.7250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3417   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542    2.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2083   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5208   -2.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1208    0.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3458   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  2  0  0  0  0
  7  9  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  2  0  0  0  0
 10  2  2  0  0  0  0
 11  3  2  0  0  0  0
 12  1  1  0  0  0  0
 13  4  1  0  0  0  0
 14  7  1  0  0  0  0
 15  7  1  0  0  0  0
 16  9  1  0  0  0  0
 17 16  1  0  0  0  0
  5  4  1  0  0  0  0
 14 17  1  0  0  0  0
M  END
>  <Mol_ID> (4,206)
4206

>  <Formula> (4,206)
C12H17N3OS

>  <MolWeight> (4,206)
251.34788

>  <COMPOUND_NAME> (4,206)
WAY-629545

>  <BAR_CODE_NO> (4,206)
90463852

$$$$
WAY-629640
csChFnd80/06171916322D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -0.0375    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583    0.6458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583    3.1208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583    1.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4708    1.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0375    1.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6750   -1.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0375   -0.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6750   -1.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6750    0.6458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3917   -2.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4708    2.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0375    2.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1042   -1.8292    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.4708    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583    3.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0375   -2.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3917   -3.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6750   -3.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0375   -3.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3 13  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  4  1  0  0  0  0
  7  8  1  0  0  0  0
  8  1  1  0  0  0  0
  9  7  1  0  0  0  0
 10  1  2  0  0  0  0
 11  9  2  0  0  0  0
 12  5  1  0  0  0  0
 13  6  1  0  0  0  0
 14 11  1  0  0  0  0
 15  2  1  0  0  0  0
 16  3  1  0  0  0  0
 17  9  1  0  0  0  0
 18 11  1  0  0  0  0
 19 20  1  0  0  0  0
 20 17  2  0  0  0  0
  3 12  1  0  0  0  0
 19 18  2  0  0  0  0
M  END
>  <Mol_ID> (4,207)
4207

>  <Formula> (4,207)
C15H21ClN2O2

>  <MolWeight> (4,207)
296.79244

>  <COMPOUND_NAME> (4,207)
WAY-629640

>  <BAR_CODE_NO> (4,207)
90463948

$$$$
WAY-629682
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -0.7708   -0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2583   -1.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2583    0.0208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0458   -1.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0458   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542   -0.6417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000   -2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958   -2.2667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542    0.7833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7042    0.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5583   -2.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5292    0.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7583   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9417    1.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7583    0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7667    1.4958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7042    2.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917    1.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5292    2.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1792    2.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4708   -1.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4708   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9  7  2  0  0  0  0
 10  8  2  0  0  0  0
 11  8  1  0  0  0  0
 12 11  1  0  0  0  0
 13  7  1  0  0  0  0
 14 12  1  0  0  0  0
 15  4  1  0  0  0  0
 16 14  2  0  0  0  0
 17  5  1  0  0  0  0
 18 16  1  0  0  0  0
 19 20  1  0  0  0  0
 20 12  2  0  0  0  0
 21 19  2  0  0  0  0
 22 18  1  0  0  0  0
 23 15  1  0  0  0  0
 24 17  1  0  0  0  0
  4  5  2  0  0  0  0
 23 24  1  0  0  0  0
 21 16  1  0  0  0  0
M  END
>  <Mol_ID> (4,208)
4208

>  <Formula> (4,208)
C18H20N2O3S

>  <MolWeight> (4,208)
344.428

>  <COMPOUND_NAME> (4,208)
WAY-629682

>  <BAR_CODE_NO> (4,208)
90463991

$$$$
WAY-629693
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -0.9833   -0.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4708   -1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4708   -0.1750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500   -1.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500   -0.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1583   -0.8417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2125   -2.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7292    1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4083   -2.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1583    0.5833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4917    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4917    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7625   -2.9042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792    1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9708   -1.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5542    1.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9708   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7292    2.7333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9667    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167    3.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6833   -1.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6833   -0.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9 11  1  0  0  0  0
 10 16  1  0  0  0  0
 11 14  2  0  0  0  0
 12  7  2  0  0  0  0
 13  8  2  0  0  0  0
 14 15  1  0  0  0  0
 15  8  1  0  0  0  0
 16 18  2  0  0  0  0
 17  7  1  0  0  0  0
 18 14  1  0  0  0  0
 19  4  1  0  0  0  0
 20  9  1  0  0  0  0
 21  5  1  0  0  0  0
 22 10  1  0  0  0  0
 23 20  1  0  0  0  0
 24 22  1  0  0  0  0
 25 19  1  0  0  0  0
 26 21  1  0  0  0  0
  4  5  2  0  0  0  0
 25 26  1  0  0  0  0
 10  9  2  0  0  0  0
M  END
>  <Mol_ID> (4,209)
4209

>  <Formula> (4,209)
C19H22N2O4S

>  <MolWeight> (4,209)
374.45398

>  <COMPOUND_NAME> (4,209)
WAY-629693

>  <BAR_CODE_NO> (4,209)
90464002

$$$$
WAY-629772-A
csChFnd80/06171916322D

 19 20  0  0  0  0  0  0  0  0999 V2000
    2.3625   -3.4292    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.3625   -2.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.3667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -3.8417    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.7917    2.3458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0750   -3.8417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3625   -0.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -2.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0750   -2.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7917    3.9958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3625   -0.1292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0750   -1.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7917    1.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0750    1.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5042    2.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0750    2.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0750    0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0750    3.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5042    3.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  8  1  0  0  0  0
  4  1  1  0  0  0  0
  5 13  1  0  0  0  0
  6  1  2  0  0  0  0
  7 12  1  0  0  0  0
  8  2  2  0  0  0  0
  9  2  1  0  0  0  0
 10 19  1  0  0  0  0
 11  7  1  0  0  0  0
 12  9  2  0  0  0  0
 13 14  1  0  0  0  0
 14 17  1  0  0  0  0
 15  5  1  0  0  0  0
 16  5  1  0  0  0  0
 17 11  1  0  0  0  0
 18 16  1  0  0  0  0
 19 15  1  0  0  0  0
  7  3  2  0  0  0  0
 18 10  1  0  0  0  0
M  END
>  <Mol_ID> (4,210)
4210

>  <Formula> (4,210)
C12H18N4O3

>  <MolWeight> (4,210)
266.29632

>  <COMPOUND_NAME> (4,210)
WAY-629772-A

>  <BAR_CODE_NO> (4,210)
90464081

$$$$
WAY-629775
csChFnd80/06171916322D

 23 26  0  0  0  0  0  0  0  0999 V2000
    0.4042    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042   -0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083    1.1583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083   -0.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208   -0.0792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1917   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1917    1.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6792    0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    1.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083   -1.3167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4500   -1.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1625    1.1583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4500    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042    0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    1.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1625    1.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542   -1.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8917   -1.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4500    2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042   -2.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1500   -2.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9542   -2.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  2  0  0  0  0
  6  5  1  0  0  0  0
  7  2  1  0  0  0  0
  8  1  1  0  0  0  0
  9  8  1  0  0  0  0
 10  5  1  0  0  0  0
 11  4  2  0  0  0  0
 12  7  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  2  0  0  0  0
 15  9  1  0  0  0  0
 16 10  1  0  0  0  0
 17 20  1  0  0  0  0
 18 12  2  0  0  0  0
 19 12  1  0  0  0  0
 20 16  2  0  0  0  0
 21 18  1  0  0  0  0
 22 19  2  0  0  0  0
 23 22  1  0  0  0  0
  7  9  2  0  0  0  0
  6  4  1  0  0  0  0
 17 13  2  0  0  0  0
 23 21  2  0  0  0  0
M  END
>  <Mol_ID> (4,211)
4211

>  <Formula> (4,211)
C18H13N3OS

>  <MolWeight> (4,211)
319.38032

>  <COMPOUND_NAME> (4,211)
WAY-629775

>  <BAR_CODE_NO> (4,211)
90464084

$$$$
WAY-629783
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.0833    2.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5708    1.3833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5708    2.7208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3583    1.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3583    2.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5125   -2.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3125    0.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542   -1.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9625   -3.3250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8125   -1.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4500   -1.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167   -2.8792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917   -0.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5542   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0708    1.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0708    2.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5750   -3.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7833    1.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7833    2.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  8  1  0  0  0  0
  7  2  1  0  0  0  0
  8 10  1  0  0  0  0
  9  6  2  0  0  0  0
 10 16  2  0  0  0  0
 11 15  1  0  0  0  0
 12  7  1  0  0  0  0
 13  6  1  0  0  0  0
 14 12  1  0  0  0  0
 15 14  2  0  0  0  0
 16 14  1  0  0  0  0
 17  4  1  0  0  0  0
 18  5  1  0  0  0  0
 19 13  1  0  0  0  0
 20 17  2  0  0  0  0
 21 18  2  0  0  0  0
  4  5  2  0  0  0  0
 20 21  1  0  0  0  0
  8 11  2  0  0  0  0
M  END
>  <Mol_ID> (4,212)
4212

>  <Formula> (4,212)
C15H13N3O3

>  <MolWeight> (4,212)
283.28202

>  <COMPOUND_NAME> (4,212)
WAY-629783

>  <BAR_CODE_NO> (4,212)
90464092

$$$$
WAY-629865
csChFnd80/06171916322D

 34 39  0  0  0  0  0  0  0  0999 V2000
    0.5167    0.0250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167    0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9417    0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9417    0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2292    1.2625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2292   -0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000   -0.3875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7292   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9125    0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000    1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7292    1.1083    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.2125    0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9125    0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2292   -1.2125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9792   -1.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7708    0.0250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6333   -0.3875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2083    0.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4292   -1.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7917   -1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4917   -2.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6875   -2.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0417   -1.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -3.3667    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000    2.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3458    0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0583   -0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6333    1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4875   -0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7708    0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4875    1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2083    0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9125    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6333    2.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  6  1  0  0  0  0
  4  3  2  0  0  0  0
  5  2  2  0  0  0  0
  6  1  1  0  0  0  0
  7  1  1  0  0  0  0
  8  3  1  0  0  0  0
  9  7  2  0  0  0  0
 10  2  1  0  0  0  0
 11  4  1  0  0  0  0
 12  8  2  0  0  0  0
 13  9  1  0  0  0  0
 14  6  2  0  0  0  0
 15  8  1  0  0  0  0
 16 27  1  0  0  0  0
 17  9  1  0  0  0  0
 18 31  1  0  0  0  0
 19 15  2  0  0  0  0
 20 15  1  0  0  0  0
 21 23  1  0  0  0  0
 22 19  1  0  0  0  0
 23 20  2  0  0  0  0
 24 21  1  0  0  0  0
 25 10  1  0  0  0  0
 26 17  1  0  0  0  0
 27 26  1  0  0  0  0
 28 13  1  0  0  0  0
 29 16  1  0  0  0  0
 30 16  1  0  0  0  0
 31 30  1  0  0  0  0
 32 29  1  0  0  0  0
 33 25  2  0  0  0  0
 34 28  2  0  0  0  0
  5  4  1  0  0  0  0
 13 10  2  0  0  0  0
 11 12  1  0  0  0  0
 34 33  1  0  0  0  0
 21 22  2  0  0  0  0
 18 32  1  0  0  0  0
M  END
>  <Mol_ID> (4,213)
4213

>  <Formula> (4,213)
C25H22ClN5O2S

>  <MolWeight> (4,213)
491.99248

>  <COMPOUND_NAME> (4,213)
WAY-629865

>  <BAR_CODE_NO> (4,213)
90464177

$$$$
WAY-629867
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -0.3833    0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958    0.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3833   -0.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292    0.5583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292   -1.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958    1.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8083   -0.6792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0500    0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0500   -0.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292   -1.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8083    0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958   -1.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3833    1.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958    2.6208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5125    2.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667    1.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3833   -2.3292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9250    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0500   -2.3292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5250   -1.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7625   -1.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7625    0.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2375   -0.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750   -0.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  2  0  0  0  0
  7 12  1  0  0  0  0
  8  4  2  0  0  0  0
  9  8  1  0  0  0  0
 10  5  1  0  0  0  0
 11  2  1  0  0  0  0
 12  3  1  0  0  0  0
 13  6  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 13  2  0  0  0  0
 17 10  2  0  0  0  0
 18 16  1  0  0  0  0
 19 10  1  0  0  0  0
 20  7  1  0  0  0  0
 21  9  1  0  0  0  0
 22  8  1  0  0  0  0
 23 20  1  0  0  0  0
 24 25  1  0  0  0  0
 25 22  2  0  0  0  0
 11  7  1  0  0  0  0
  9  5  2  0  0  0  0
 21 24  2  0  0  0  0
 15 18  2  0  0  0  0
M  END
>  <Mol_ID> (4,214)
4214

>  <Formula> (4,214)
C20H18N2O2S

>  <MolWeight> (4,214)
350.43412

>  <COMPOUND_NAME> (4,214)
WAY-629867

>  <BAR_CODE_NO> (4,214)
90464179

$$$$
WAY-629907
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -1.1333   -1.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208   -1.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1333   -2.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208   -2.8542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208   -0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2917   -1.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2917   -2.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8500   -1.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5625   -1.6167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8500   -2.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2917    0.0333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042    2.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1333    0.0333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2917    0.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7167    0.8583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5625   -2.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2917    2.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7167    2.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042    3.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2917    3.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7167    3.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042    4.5625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2833   -1.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042   -1.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042   -2.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2917    4.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7167   -1.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7167   -2.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  2  2  0  0  0  0
  7  4  2  0  0  0  0
  8  1  1  0  0  0  0
  9  8  1  0  0  0  0
 10  3  1  0  0  0  0
 11  5  1  0  0  0  0
 12 15  1  0  0  0  0
 13 12  1  0  0  0  0
 14  5  2  0  0  0  0
 15 11  1  0  0  0  0
 16 12  2  0  0  0  0
 17  9  1  0  0  0  0
 18 13  1  0  0  0  0
 19 13  2  0  0  0  0
 20 22  2  0  0  0  0
 21 18  2  0  0  0  0
 22 19  1  0  0  0  0
 23 20  1  0  0  0  0
 24  9  1  0  0  0  0
 25  6  1  0  0  0  0
 26  7  1  0  0  0  0
 27 23  1  0  0  0  0
 28 25  2  0  0  0  0
 29 26  2  0  0  0  0
 17 10  1  0  0  0  0
  6  7  1  0  0  0  0
 28 29  1  0  0  0  0
 21 20  1  0  0  0  0
M  END
>  <Mol_ID> (4,215)
4215

>  <Formula> (4,215)
C23H22N2O4

>  <MolWeight> (4,215)
390.43178

>  <COMPOUND_NAME> (4,215)
WAY-629907

>  <BAR_CODE_NO> (4,215)
90464222

$$$$
WAY-629912
csChFnd80/06171916322D

 18 19  0  0  0  0  0  0  0  0999 V2000
    1.7167   -0.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8917   -0.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583    0.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5833    0.7958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917   -1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917    0.0375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.9792   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792    0.0833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9792   -1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3458    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792   -1.3417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3458    1.5125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2333    0.7958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9958    1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9958    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9417   -2.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8208    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8208    1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3 10  1  0  0  0  0
  4  3  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  2  1  0  0  0  0
  9  5  1  0  0  0  0
 10  8  1  0  0  0  0
 11  2  2  0  0  0  0
 12  3  2  0  0  0  0
 13 17  1  0  0  0  0
 14  4  1  0  0  0  0
 15  4  1  0  0  0  0
 16  5  1  0  0  0  0
 17 15  1  0  0  0  0
 18 14  1  0  0  0  0
  7  9  2  0  0  0  0
 13 18  1  0  0  0  0
M  END
>  <Mol_ID> (4,216)
4216

>  <Formula> (4,216)
C12H15NO4S

>  <MolWeight> (4,216)
269.3168

>  <COMPOUND_NAME> (4,216)
WAY-629912

>  <BAR_CODE_NO> (4,216)
90464227

$$$$
WAY-629951
csChFnd80/06171916322D

 31 35  0  0  0  0  0  0  0  0999 V2000
    0.4167   -1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167   -0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1375   -1.8917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1375   -0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3625   -1.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1375    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6208   -2.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8500   -1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8500   -0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3625   -0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4250   -2.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958    2.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458   -1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7583   -3.4417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167    0.9958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958    3.0583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8500    0.9958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0375   -2.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5833   -3.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7500   -2.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083    1.8208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167    1.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083    3.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5667   -0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5667   -1.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958    4.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7625    3.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2792   -0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2792   -1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3125    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083    4.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  5  2  0  0  0  0
  8  3  2  0  0  0  0
  9  8  1  0  0  0  0
 10  2  1  0  0  0  0
 11  7  1  0  0  0  0
 12 22  1  0  0  0  0
 13  5  1  0  0  0  0
 14 11  1  0  0  0  0
 15  6  1  0  0  0  0
 16 12  1  0  0  0  0
 17  6  2  0  0  0  0
 18 11  2  0  0  0  0
 19 14  1  0  0  0  0
 20 18  1  0  0  0  0
 21 12  2  0  0  0  0
 22 15  1  0  0  0  0
 23 16  1  0  0  0  0
 24  9  1  0  0  0  0
 25  8  1  0  0  0  0
 26 23  1  0  0  0  0
 27 23  1  0  0  0  0
 28 29  1  0  0  0  0
 29 25  2  0  0  0  0
 30 27  1  0  0  0  0
 31 26  1  0  0  0  0
 13 10  1  0  0  0  0
  9  4  2  0  0  0  0
 19 20  2  0  0  0  0
 28 24  2  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (4,217)
4217

>  <Formula> (4,217)
C25H24N2O4

>  <MolWeight> (4,217)
416.46906

>  <COMPOUND_NAME> (4,217)
WAY-629951

>  <BAR_CODE_NO> (4,217)
90464268

$$$$
WAY-630060
csChFnd80/06171916322D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -0.4083    1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1083    0.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583    0.8458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792    1.8833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8875    2.2958    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3625   -0.5542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.3792    2.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4083    2.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917   -1.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708   -1.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708   -0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917   -2.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5500   -1.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4875   -2.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8417   -3.0042    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583    3.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4250   -1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8  5  1  0  0  0  0
  9  2  2  0  0  0  0
 10  6  1  0  0  0  0
 11 10  1  0  0  0  0
 12 10  2  0  0  0  0
 13  6  1  0  0  0  0
 14 15  2  0  0  0  0
 15 12  1  0  0  0  0
 16 11  2  0  0  0  0
 17 14  1  0  0  0  0
 18  8  1  0  0  0  0
 19 13  1  0  0  0  0
 20 13  1  0  0  0  0
  8  7  2  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <Mol_ID> (4,218)
4218

>  <Formula> (4,218)
C15H17ClN2OS

>  <MolWeight> (4,218)
308.82628

>  <COMPOUND_NAME> (4,218)
WAY-630060

>  <BAR_CODE_NO> (4,218)
90464381

$$$$
WAY-629999
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -1.2958   -0.5542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0083   -0.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7208   -0.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2958    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0083    0.6833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833   -0.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5625    0.2708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292   -0.5542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7208    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2792    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0083   -1.7917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8500    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5625   -0.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9917    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8500   -0.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4375   -0.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9917   -0.5542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2792    1.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4375    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7042    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7042   -0.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1583   -0.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9917    1.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1583    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7042    1.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  1  1  0  0  0  0
  7 12  1  0  0  0  0
  8  6  1  0  0  0  0
  9  5  1  0  0  0  0
 10  7  1  0  0  0  0
 11  2  2  0  0  0  0
 12 16  1  0  0  0  0
 13 15  1  0  0  0  0
 14 10  2  0  0  0  0
 15  8  1  0  0  0  0
 16  8  1  0  0  0  0
 17  3  1  0  0  0  0
 18 14  1  0  0  0  0
 19 10  1  0  0  0  0
 20  9  1  0  0  0  0
 21 14  1  0  0  0  0
 22 18  1  0  0  0  0
 23 17  2  0  0  0  0
 24 19  2  0  0  0  0
 25 20  2  0  0  0  0
 26 24  1  0  0  0  0
  9  3  2  0  0  0  0
  7 13  1  0  0  0  0
 23 25  1  0  0  0  0
 26 21  2  0  0  0  0
M  END
>  <Mol_ID> (4,219)
4219

>  <Formula> (4,219)
C20H22N4O2

>  <MolWeight> (4,219)
350.41428

>  <COMPOUND_NAME> (4,219)
WAY-629999

>  <BAR_CODE_NO> (4,219)
90464316

$$$$
WAY-630005
csChFnd80/06171916322D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -0.3208   -0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208    1.1208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667    0.8708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5708   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6250    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208   -1.6125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1083   -0.2125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1375    1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3833   -1.1667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1083    1.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8958    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8958    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0875   -2.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7875   -1.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2750   -2.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792   -3.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3417   -2.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8917    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0500    2.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7167    2.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5542    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4667    2.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  5  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9  7  1  0  0  0  0
 10  4  1  0  0  0  0
 11  6  2  0  0  0  0
 12  7  2  0  0  0  0
 13  9  1  0  0  0  0
 14 12  1  0  0  0  0
 15 18  1  0  0  0  0
 16  8  1  0  0  0  0
 17  8  1  0  0  0  0
 18 17  1  0  0  0  0
 19 16  1  0  0  0  0
 20 10  1  0  0  0  0
 21 10  2  0  0  0  0
 22 21  1  0  0  0  0
 23 20  2  0  0  0  0
 24 22  2  0  0  0  0
  3  4  1  0  0  0  0
 15 19  1  0  0  0  0
 13 14  2  0  0  0  0
 24 23  1  0  0  0  0
M  END
>  <Mol_ID> (4,220)
4220

>  <Formula> (4,220)
C18H17N3O2S

>  <MolWeight> (4,220)
339.41148

>  <COMPOUND_NAME> (4,220)
WAY-630005

>  <BAR_CODE_NO> (4,220)
90464322

$$$$
WAY-630062
csChFnd80/06171916322D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -1.9361    0.4008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9809   -0.3716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0913   -0.0371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0016    1.6318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1708    0.0629    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1740   -1.5889    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8637    0.9215    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2809   -1.2475    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1878    1.9525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1225   -0.7095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3292   -2.0268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2708   -0.2682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2294   -1.0440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4674    0.9456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3846   -0.6095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6225    1.3801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5777    0.6077    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
  7  9  1  0  0  0  0
  8 11  2  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (4,221)
4221

>  <Formula> (4,221)
C12H10N4S

>  <MolWeight> (4,221)
242.2996

>  <COMPOUND_NAME> (4,221)
WAY-630062

>  <BAR_CODE_NO> (4,221)
90464383

$$$$
WAY-630079
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -1.0833   -2.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667    1.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833   -1.6250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708   -2.8625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7958   -2.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708   -1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7958   -3.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792    0.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417    3.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292    3.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2917    3.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667    1.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667    2.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042    2.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5917    2.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3417   -1.6250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4000    1.2625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3500    0.0083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167    3.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1500    3.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833   -4.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708   -3.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5083   -2.4500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833   -4.9250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2 12  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  2  0  0  0  0
  6  3  1  0  0  0  0
  7  5  1  0  0  0  0
  8 18  1  0  0  0  0
  9 15  1  0  0  0  0
 10 14  1  0  0  0  0
 11 13  1  0  0  0  0
 12  8  1  0  0  0  0
 13  2  1  0  0  0  0
 14  2  1  0  0  0  0
 15  2  1  0  0  0  0
 16  6  2  0  0  0  0
 17  8  2  0  0  0  0
 18 24  1  0  0  0  0
 19 10  1  0  0  0  0
 20  9  1  0  0  0  0
 21  9  1  0  0  0  0
 22  7  2  0  0  0  0
 23  4  2  0  0  0  0
 24  6  1  0  0  0  0
 25  5  1  0  0  0  0
 26 22  1  0  0  0  0
 23 22  1  0  0  0  0
 21 11  1  0  0  0  0
 20 10  1  0  0  0  0
 19 11  1  0  0  0  0
M  END
>  <Mol_ID> (4,222)
4222

>  <Formula> (4,222)
C19H22Cl2N2O3

>  <MolWeight> (4,222)
397.29558

>  <COMPOUND_NAME> (4,222)
WAY-630079

>  <BAR_CODE_NO> (4,222)
90464400

$$$$
WAY-630084
csChFnd80/06171916322D

 21 24  0  0  0  0  0  0  0  0999 V2000
   -0.0500   -0.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0500   -0.0917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6625    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6625   -1.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8333   -1.1750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3792   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3792   -0.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8333    0.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6625    1.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6625   -2.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6625   -2.9792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083    1.6333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292    1.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2500    2.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0750    2.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0917   -1.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708    0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1458   -0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9958    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4750    0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  2  0  0  0  0
  6  7  1  0  0  0  0
  7  4  2  0  0  0  0
  8  2  1  0  0  0  0
  9  5  1  0  0  0  0
 10  3  1  0  0  0  0
 11  4  1  0  0  0  0
 12 11  3  0  0  0  0
 13 10  1  0  0  0  0
 14 10  2  0  0  0  0
 15 13  1  0  0  0  0
 16 14  1  0  0  0  0
 17  7  1  0  0  0  0
 18  8  1  0  0  0  0
 19  9  1  0  0  0  0
 20 18  2  0  0  0  0
 21 19  2  0  0  0  0
  9  8  2  0  0  0  0
  3  6  2  0  0  0  0
 21 20  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <Mol_ID> (4,223)
4223

>  <Formula> (4,223)
C17H11N3O

>  <MolWeight> (4,223)
273.28874

>  <COMPOUND_NAME> (4,223)
WAY-630084

>  <BAR_CODE_NO> (4,223)
90464405

$$$$
WAY-630090
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
    1.2667   -0.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1875   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0792   -1.1167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9375    0.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667    0.2833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1250   -1.2417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292   -2.3042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667    1.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4917   -0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458    1.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6708    1.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9583    1.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6708    2.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4583    1.2708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167   -2.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7375   -1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4583    2.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9458    1.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1875    1.5208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5708   -2.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458    2.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9583    2.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3125   -0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3875   -3.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5250   -1.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  2  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  3  2  0  0  0  0
  9  6  1  0  0  0  0
 10  4  2  0  0  0  0
 11  9  1  0  0  0  0
 12 13  1  0  0  0  0
 13 11  2  0  0  0  0
 14 23  1  0  0  0  0
 15 12  1  0  0  0  0
 16  8  1  0  0  0  0
 17  7  2  0  0  0  0
 18 14  1  0  0  0  0
 19 15  1  0  0  0  0
 20  9  2  0  0  0  0
 21 16  2  0  0  0  0
 22 11  1  0  0  0  0
 23 22  2  0  0  0  0
 24 10  1  0  0  0  0
 25 16  1  0  0  0  0
 26 17  1  0  0  0  0
  5 10  1  0  0  0  0
 21 17  1  0  0  0  0
 14 12  2  0  0  0  0
 19 18  1  0  0  0  0
M  END
>  <Mol_ID> (4,224)
4224

>  <Formula> (4,224)
C18H17N5O3

>  <MolWeight> (4,224)
351.35928

>  <COMPOUND_NAME> (4,224)
WAY-630090

>  <BAR_CODE_NO> (4,224)
90464411

$$$$
WAY-630102
csChFnd80/06171916322D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -1.7339    0.2965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3890    0.9517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9614   -0.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8339    0.5448    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2890    0.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8545   -0.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1683   -0.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5270   -0.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7248    0.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4270   -0.4414    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.3868   -0.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2868   -0.2414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5110    0.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9455   -0.8966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4110    0.8965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8386   -0.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0799    0.2379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
  6  8  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (4,225)
4225

>  <Formula> (4,225)
C13H18ClNOS

>  <MolWeight> (4,225)
271.80612

>  <COMPOUND_NAME> (4,225)
WAY-630102

>  <BAR_CODE_NO> (4,225)
90464423

$$$$
WAY-630127
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.2356    0.0948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4894   -0.3177    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8481   -0.4677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2356    0.9240    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3186   -1.1302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2061    0.0948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4894    1.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2019    0.9240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5064   -1.2177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6564   -0.3010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8769   -1.7385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4894    2.1698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9106    0.4823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1981   -0.9177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9186    1.3365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9186   -0.3177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9981   -0.7010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6311    0.9240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6311    0.0948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5814   -1.2802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8  7  1  0  0  0  0
  9  3  1  0  0  0  0
 10  3  1  0  0  0  0
 11  5  2  0  0  0  0
 12  7  2  0  0  0  0
 13 10  2  0  0  0  0
 14 10  1  0  0  0  0
 15  8  2  0  0  0  0
 16  6  2  0  0  0  0
 17 14  1  0  0  0  0
 18 15  1  0  0  0  0
 19 16  1  0  0  0  0
 20 17  1  0  0  0  0
  9  5  1  0  0  0  0
  8  6  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (4,226)
4226

>  <Formula> (4,226)
C14H12N2O4

>  <MolWeight> (4,226)
272.25608

>  <COMPOUND_NAME> (4,226)
WAY-630127

>  <BAR_CODE_NO> (4,226)
90464450

$$$$
WAY-630145
csChFnd80/06171916322D

 18 19  0  0  0  0  0  0  0  0999 V2000
    0.2891    0.1028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7526    0.7153    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6391   -0.5222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4484    1.9528    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6349   -1.7347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2891   -1.1222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4109    0.1070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3349   -1.7347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6516    0.7028    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3391   -0.5222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6891   -1.1305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3984    1.3153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4651    0.7153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7401    1.9403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8151    1.3403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2849   -2.3347    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.6766   -2.3597    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.7984    2.5695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  1  0  0  0  0
  3  1  1  0  0  0  0
  4 15  1  0  0  0  0
  5  6  2  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8 11  2  0  0  0  0
  9  1  2  0  0  0  0
 10  3  2  0  0  0  0
 11 10  1  0  0  0  0
 12  2  1  0  0  0  0
 13  2  1  0  0  0  0
 14 12  1  0  0  0  0
 15 13  1  0  0  0  0
 16  5  1  0  0  0  0
 17  8  1  0  0  0  0
 18  4  1  0  0  0  0
  4 14  1  0  0  0  0
  5  8  1  0  0  0  0
M  END
>  <Mol_ID> (4,227)
4227

>  <Formula> (4,227)
C13H16Cl2N2O

>  <MolWeight> (4,227)
287.18494

>  <COMPOUND_NAME> (4,227)
WAY-630145

>  <BAR_CODE_NO> (4,227)
90464470

$$$$
WAY-630241
csChFnd80/06171916322D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -1.4750    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2583    0.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7458   -0.3417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4750   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8083    0.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2583   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583    0.2208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8958    1.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6125    0.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8750   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667    0.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5208    1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6292   -0.6375    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.7875    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042   -0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0292    0.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542   -0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5208   -1.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  2  0  0  0  0
  7  5  1  0  0  0  0
  8  5  2  0  0  0  0
  9  7  1  0  0  0  0
 10 15  1  0  0  0  0
 11  9  1  0  0  0  0
 12  2  1  0  0  0  0
 13 10  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 11  2  0  0  0  0
 17 11  1  0  0  0  0
 18  6  1  0  0  0  0
  3  6  1  0  0  0  0
 10 14  2  0  0  0  0
M  END
>  <Mol_ID> (4,228)
4228

>  <Formula> (4,228)
C14H13BrO3

>  <MolWeight> (4,228)
309.15522

>  <COMPOUND_NAME> (4,228)
WAY-630241

>  <BAR_CODE_NO> (4,228)
90464569

$$$$
WAY-630259
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    1.6417    0.0208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542    1.2583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0750    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292    1.2583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9333   -1.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167   -0.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2125   -0.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000   -1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2125    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6458   -0.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0750   -0.8042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0750    1.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7875    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6458    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3583   -1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7875    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0708   -0.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3583    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0708    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  2  0  0  0  0
  7  2  2  0  0  0  0
  8 11  1  0  0  0  0
  9  5  1  0  0  0  0
 10  5  2  0  0  0  0
 11 12  2  0  0  0  0
 12 10  1  0  0  0  0
 13  9  2  0  0  0  0
 14  8  1  0  0  0  0
 15  6  1  0  0  0  0
 16  4  2  0  0  0  0
 17  6  1  0  0  0  0
 18 14  1  0  0  0  0
 19 14  2  0  0  0  0
 20 17  2  0  0  0  0
 21 19  1  0  0  0  0
 22 18  2  0  0  0  0
 23 21  2  0  0  0  0
 16 20  1  0  0  0  0
 11 13  1  0  0  0  0
 23 22  1  0  0  0  0
M  END
>  <Mol_ID> (4,229)
4229

>  <Formula> (4,229)
C18H14N2O3

>  <MolWeight> (4,229)
306.31536

>  <COMPOUND_NAME> (4,229)
WAY-630259

>  <BAR_CODE_NO> (4,229)
90464587

$$$$
WAY-630283
csChFnd80/06171916322D

 22 25  0  0  0  0  0  0  0  0999 V2000
   -0.9655   -2.1205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1276   -2.7653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9621   -0.8515    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0759   -2.7653    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1276   -4.0274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3276   -2.3791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0517   -0.2067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1414   -0.2308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0759   -4.0274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9655   -4.6757    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3276   -4.4136    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0655   -3.3826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0414    1.0588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1517    1.0381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9379    1.6795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9207    2.9485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1828    3.5692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000    4.8347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2724    2.9209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3034    5.4519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3759    3.5381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3931    4.8071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
  9 10  2  0  0  0  0
 11 12  1  0  0  0  0
 14 15  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (4,230)
4230

>  <Formula> (4,230)
C18H19N3S

>  <MolWeight> (4,230)
309.42856

>  <COMPOUND_NAME> (4,230)
WAY-630283

>  <BAR_CODE_NO> (4,230)
90464611

$$$$
WAY-630292
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -1.0500    0.6833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5333    1.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5333    0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7292   -1.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3208    1.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3208    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5167   -1.1625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7292   -0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4250   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5167   -0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2833    2.1333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2833   -0.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0125   -1.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2250    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0125   -0.0292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4792   -2.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0333    1.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0333   -0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1875   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875    0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    1.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 10  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  2  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8  5  1  0  0  0  0
  9  2  1  0  0  0  0
 10 16  1  0  0  0  0
 11  9  2  0  0  0  0
 12  3  2  0  0  0  0
 13  4  2  0  0  0  0
 14 10  2  0  0  0  0
 15  1  1  0  0  0  0
 16 20  1  0  0  0  0
 17  5  1  0  0  0  0
 18  6  1  0  0  0  0
 19  7  1  0  0  0  0
 20 15  1  0  0  0  0
 21 11  1  0  0  0  0
 22 19  2  0  0  0  0
 23 18  2  0  0  0  0
  7  6  2  0  0  0  0
 22 23  1  0  0  0  0
  8 11  1  0  0  0  0
M  END
>  <Mol_ID> (4,231)
4231

>  <Formula> (4,231)
C17H15NO5

>  <MolWeight> (4,231)
313.3047

>  <COMPOUND_NAME> (4,231)
WAY-630292

>  <BAR_CODE_NO> (4,231)
90464621

$$$$
WAY-630308
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.1625    0.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6208    1.0875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6500    1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1625    2.1708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6208    1.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292   -1.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792   -0.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167   -1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333   -0.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2250   -0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1792   -2.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2875   -1.0792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333   -1.9625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708    2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292   -2.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8417   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375   -1.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0708    0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0708    2.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4333    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  8  2  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
 11  5  2  0  0  0  0
 12  2  1  0  0  0  0
 13  7  1  0  0  0  0
 14  8  1  0  0  0  0
 15  9  1  0  0  0  0
 16  6  1  0  0  0  0
 17 13  1  0  0  0  0
 18 14  1  0  0  0  0
 19 15  1  0  0  0  0
 20 12  1  0  0  0  0
 21 16  1  0  0  0  0
 22 20  1  0  0  0  0
  6  4  2  0  0  0  0
  7  9  1  0  0  0  0
 22 21  1  0  0  0  0
M  END
>  <Mol_ID> (4,232)
4232

>  <Formula> (4,232)
C16H21N3O3

>  <MolWeight> (4,232)
303.35624

>  <COMPOUND_NAME> (4,232)
WAY-630308

>  <BAR_CODE_NO> (4,232)
90464639

$$$$
WAY-630331-A
csChFnd80/06171916322D

 20 21  0  0  0  0  0  0  0  0999 V2000
    1.0000    2.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792    1.9000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.1458   -3.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333    0.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458   -1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333   -2.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8583   -2.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8583   -1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333   -1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333    2.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458   -3.8750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792    1.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7125    1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000    3.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458   -0.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333   -4.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7125    3.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4292    2.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4292    3.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  6  1  0  0  0  0
  4 12  1  0  0  0  0
  5 16  1  0  0  0  0
  6  9  2  0  0  0  0
  7  8  1  0  0  0  0
  8  5  2  0  0  0  0
  9  5  1  0  0  0  0
 10  2  1  0  0  0  0
 11  3  1  0  0  0  0
 12  2  1  0  0  0  0
 13  1  1  0  0  0  0
 14  1  2  0  0  0  0
 15  4  1  0  0  0  0
 16 15  1  0  0  0  0
 17 11  1  0  0  0  0
 18 14  1  0  0  0  0
 19 13  2  0  0  0  0
 20 18  2  0  0  0  0
 20 19  1  0  0  0  0
  3  7  2  0  0  0  0
M  END
>  <Mol_ID> (4,233)
4233

>  <Formula> (4,233)
C17H21NO2

>  <MolWeight> (4,233)
271.35414

>  <COMPOUND_NAME> (4,233)
WAY-630331-A

>  <BAR_CODE_NO> (4,233)
90464662

$$$$
WAY-630333
csChFnd80/06171916322D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.2667    1.2958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208    0.6250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208    1.9625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0375   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000    1.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417   -0.3292    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.1000   -1.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3917    0.2833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208    0.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208    2.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5500   -1.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9042   -1.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4333    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4333    1.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1625   -2.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8042   -2.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6125   -2.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
  9  7  1  0  0  0  0
 10  4  1  0  0  0  0
 11  6  1  0  0  0  0
 12  8  1  0  0  0  0
 13  8  2  0  0  0  0
 14 10  2  0  0  0  0
 15 11  2  0  0  0  0
 16 13  1  0  0  0  0
 17 12  2  0  0  0  0
 18 16  2  0  0  0  0
  4  6  2  0  0  0  0
 14 15  1  0  0  0  0
 18 17  1  0  0  0  0
M  END
>  <Mol_ID> (4,234)
4234

>  <Formula> (4,234)
C14H13N3O

>  <MolWeight> (4,234)
239.27252

>  <COMPOUND_NAME> (4,234)
WAY-630333

>  <BAR_CODE_NO> (4,234)
90464664

$$$$
WAY-630343
csChFnd80/06171916322D

 23 26  0  0  0  0  0  0  0  0999 V2000
   -1.4833    0.1958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4833    1.5333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958    0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2250   -0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2625    0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208   -0.7542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2625    1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292   -0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1625   -1.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042   -1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1917   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5542   -0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6417   -1.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9417   -0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9833    0.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9833    1.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3625   -0.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3000    0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6958    0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6958    1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8542    0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9167   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6542    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  5  2  0  0  0  0
  8  6  1  0  0  0  0
  9  6  1  0  0  0  0
 10 11  1  0  0  0  0
 11 13  1  0  0  0  0
 12 10  1  0  0  0  0
 13  9  1  0  0  0  0
 14  8  1  0  0  0  0
 15  5  1  0  0  0  0
 16  7  1  0  0  0  0
 17 12  1  0  0  0  0
 18 12  2  0  0  0  0
 19 15  2  0  0  0  0
 20 19  1  0  0  0  0
 21 18  1  0  0  0  0
 22 17  2  0  0  0  0
 23 21  2  0  0  0  0
  7  2  1  0  0  0  0
 20 16  2  0  0  0  0
 14 11  1  0  0  0  0
 23 22  1  0  0  0  0
M  END
>  <Mol_ID> (4,235)
4235

>  <Formula> (4,235)
C20H23N3

>  <MolWeight> (4,235)
305.41672

>  <COMPOUND_NAME> (4,235)
WAY-630343

>  <BAR_CODE_NO> (4,235)
90464674

$$$$
WAY-630351
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
    0.9250   -0.8375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6500    2.8750    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.9250   -2.4875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6375   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9250   -0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6375   -2.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042   -2.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9333    2.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6500    3.7083    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.3625    2.4625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6375    0.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9333    1.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208    2.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042    1.2250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083    1.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083    2.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208    1.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542   -0.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083   -0.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083   -2.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542   -2.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0667   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0667   -2.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208   -2.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  9  1  0  0  0  0
  3  7  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  5  2  0  0  0  0
  8  4  2  0  0  0  0
  9 14  1  0  0  0  0
 10  2  1  0  0  0  0
 11  2  2  0  0  0  0
 12  6  1  0  0  0  0
 13  6  2  0  0  0  0
 14 19  2  0  0  0  0
 15 18  1  0  0  0  0
 16 12  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 17  1  0  0  0  0
 20  5  1  0  0  0  0
 21  4  1  0  0  0  0
 22  8  1  0  0  0  0
 23  7  1  0  0  0  0
 24 21  2  0  0  0  0
 25 20  2  0  0  0  0
 26 25  1  0  0  0  0
 27 24  1  0  0  0  0
  3  8  1  0  0  0  0
 26 23  2  0  0  0  0
 27 22  2  0  0  0  0
  9 15  2  0  0  0  0
M  END
>  <Mol_ID> (4,236)
4236

>  <Formula> (4,236)
C20H14N2O4S

>  <MolWeight> (4,236)
378.40116

>  <COMPOUND_NAME> (4,236)
WAY-630351

>  <BAR_CODE_NO> (4,236)
90464682

$$$$
WAY-630363
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -0.7583    1.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458    1.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0250    2.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583    2.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458    2.7958    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458    1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458    2.9583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6750    1.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6750    2.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6750   -0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1042   -2.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8542   -2.0792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458    0.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7958    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3875   -1.1750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1875   -3.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4042   -2.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9917   -3.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458   -1.1750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6750    0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3875   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6000    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2458    0.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4958   -0.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8583   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3083   -0.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  1  2  0  0  0  0
  7  4  2  0  0  0  0
  8  6  1  0  0  0  0
  9  8  2  0  0  0  0
 10 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 11  1  0  0  0  0
 13  6  1  0  0  0  0
 14  2  1  0  0  0  0
 15 10  1  0  0  0  0
 16 11  2  0  0  0  0
 17 12  1  0  0  0  0
 18 16  1  0  0  0  0
 19 10  2  0  0  0  0
 20 13  1  0  0  0  0
 21 15  1  0  0  0  0
 22 14  1  0  0  0  0
 23 14  2  0  0  0  0
 24 23  1  0  0  0  0
 25 22  2  0  0  0  0
 26 24  2  0  0  0  0
  3  5  1  0  0  0  0
  9  7  1  0  0  0  0
 26 25  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (4,237)
4237

>  <Formula> (4,237)
C19H15N3O3S

>  <MolWeight> (4,237)
365.4057

>  <COMPOUND_NAME> (4,237)
WAY-630363

>  <BAR_CODE_NO> (4,237)
90464694

$$$$
WAY-630365
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -3.9518    0.5002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9518    1.9312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6139    0.0485    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1725   -0.2308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6139    2.3519    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1725    2.6381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7760    1.2071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3829    0.5002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3829    1.9312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3829    1.2071    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3413   -0.0032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7654   -0.0032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3829   -1.2343    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4723   -1.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4723    1.2519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9033   -1.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9033    1.2519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6344    0.0485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6447   -2.4136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8930   -1.7239    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.3689   -3.6688    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3861   -3.1895    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
  5  7  1  0  0  0  0
  8  9  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (4,238)
4238

>  <Formula> (4,238)
C15H13F3N2OS

>  <MolWeight> (4,238)
326.3367296

>  <COMPOUND_NAME> (4,238)
WAY-630365

>  <BAR_CODE_NO> (4,238)
90464696

$$$$
WAY-647215
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
    0.1667   -0.3042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542   -0.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4375   -0.7167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542    0.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4375    0.1083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000    1.1458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000   -1.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1875    4.1042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9500   -2.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4083   -1.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9500    1.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1125   -3.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6625   -2.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6917   -3.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708   -4.1167    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.6917    2.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917    3.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708    3.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0708    0.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0708   -1.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2417    3.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1125    2.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8958   -1.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8958    0.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3083   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  4  1  0  0  0  0
  7  2  1  0  0  0  0
  8  1  1  0  0  0  0
  9 19  2  0  0  0  0
 10  7  1  0  0  0  0
 11  7  2  0  0  0  0
 12  6  1  0  0  0  0
 13 14  2  0  0  0  0
 14 11  1  0  0  0  0
 15 10  2  0  0  0  0
 16 13  1  0  0  0  0
 17 12  1  0  0  0  0
 18 22  2  0  0  0  0
 19 23  1  0  0  0  0
 20  8  1  0  0  0  0
 21  8  2  0  0  0  0
 22 17  1  0  0  0  0
 23 17  2  0  0  0  0
 24 21  1  0  0  0  0
 25 20  2  0  0  0  0
 26 24  2  0  0  0  0
  5  3  1  0  0  0  0
 26 25  1  0  0  0  0
 15 13  1  0  0  0  0
  9 18  1  0  0  0  0
M  END
>  <Mol_ID> (4,239)
4239

>  <Formula> (4,239)
C20H15ClN4S

>  <MolWeight> (4,239)
378.8779

>  <COMPOUND_NAME> (4,239)
WAY-647215

>  <BAR_CODE_NO> (4,239)
90481835

$$$$
WAY-647229
csChFnd80/06171916322D

 31 36  0  0  0  0  0  0  0  0999 V2000
    1.8167   -2.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3750   -1.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0125   -2.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167   -0.9042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1250   -2.0167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542   -1.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0708    1.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2292   -3.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8500    2.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3125   -0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8500    3.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0417   -2.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0708    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833    2.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5708    1.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2833    2.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5708    3.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2833    3.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8125    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4625   -2.7417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417    1.6208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2500    0.2250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0542    0.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9792   -3.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5917   -3.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0708    1.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0708    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5500    2.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5292   -4.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3375   -4.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7 20  1  0  0  0  0
  8  1  1  0  0  0  0
  9  7  1  0  0  0  0
 10  6  2  0  0  0  0
 11  9  2  0  0  0  0
 12  8  2  0  0  0  0
 13 14  1  0  0  0  0
 14  7  2  0  0  0  0
 15  9  1  0  0  0  0
 16 15  2  0  0  0  0
 17 11  1  0  0  0  0
 18 16  1  0  0  0  0
 19 23  1  0  0  0  0
 20 19  1  0  0  0  0
 21  3  2  0  0  0  0
 22 19  2  0  0  0  0
 23 24  1  0  0  0  0
 24 10  1  0  0  0  0
 25  8  1  0  0  0  0
 26 12  1  0  0  0  0
 27 16  1  0  0  0  0
 28 18  1  0  0  0  0
 29 27  1  0  0  0  0
 30 25  2  0  0  0  0
 31 30  1  0  0  0  0
  5 12  1  0  0  0  0
 10  4  1  0  0  0  0
 31 26  2  0  0  0  0
 11 13  1  0  0  0  0
 18 17  2  0  0  0  0
 29 28  1  0  0  0  0
M  END
>  <Mol_ID> (4,240)
4240

>  <Formula> (4,240)
C24H18N2O4S

>  <MolWeight> (4,240)
430.47572

>  <COMPOUND_NAME> (4,240)
WAY-647229

>  <BAR_CODE_NO> (4,240)
90481849

$$$$
WAY-647360
csChFnd80/06171916322D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -2.3602    0.1097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3602   -0.7153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6482   -1.1236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6482    0.5264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9362    0.1097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9362   -0.7163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1506   -0.9717    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3350   -0.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1505    0.3649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1600   -0.3034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6394   -0.9699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4240   -0.7150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4240    0.1101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6394    0.3649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1044    1.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9114    1.3210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4476    1.7626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  5  4  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
  5  6  2  0  0  0  0
  1  2  1  0  0  0  0
  1  4  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 10  1  0  0  0  0
  2  3  1  0  0  0  0
  9 15  1  0  0  0  0
  3  6  1  0  0  0  0
 15 16  1  0  0  0  0
  6  7  1  0  0  0  0
 15 17  2  0  0  0  0
M  END
>  <Mol_ID> (4,241)
4241

>  <Formula> (4,241)
C13H13NO2S

>  <MolWeight> (4,241)
247.31282

>  <COMPOUND_NAME> (4,241)
WAY-647360

>  <BAR_CODE_NO> (4,241)
90481981

$$$$
WAY-647361
csChFnd80/06171916322D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -0.2375    0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2375    0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292    0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417    1.1583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9583    1.3125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9583   -0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -0.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6708    0.0750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6708    0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9583   -1.1625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042   -1.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2500   -1.5792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8542    0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  2  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  3  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11  7  2  0  0  0  0
 12  8  2  0  0  0  0
 13  8  1  0  0  0  0
 14  4  1  0  0  0  0
  5  4  1  0  0  0  0
 10  6  2  0  0  0  0
M  END
>  <Mol_ID> (4,242)
4242

>  <Formula> (4,242)
C8H6N2O4

>  <MolWeight> (4,242)
194.14424

>  <COMPOUND_NAME> (4,242)
WAY-647361

>  <BAR_CODE_NO> (4,242)
90481983

$$$$
WAY-647363
csChFnd80/06171916322D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -0.5375   -0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8875   -0.2750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5375    0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1750   -0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1750    0.9625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8875    0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3250    0.8083    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3250   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8083    0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1750   -1.5125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042   -0.6875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042    0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  1  1  0  0  0  0
  9  8  2  0  0  0  0
 10  4  2  0  0  0  0
 11  2  1  0  0  0  0
 12  6  1  0  0  0  0
  9  7  1  0  0  0  0
  5  6  2  0  0  0  0
M  END
>  <Mol_ID> (4,243)
4243

>  <Formula> (4,243)
C7H7N3OS

>  <MolWeight> (4,243)
181.21498

>  <COMPOUND_NAME> (4,243)
WAY-647363

>  <BAR_CODE_NO> (4,243)
90481986

$$$$
WAY-647489
csChFnd80/06171916322D

 25 29  0  0  0  0  0  0  0  0999 V2000
    0.7417   -0.0417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583   -0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292    0.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4708    0.5083    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792    1.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5500    1.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3708   -1.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9792    1.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958   -0.9667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542    0.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5500   -1.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9792    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8583   -1.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7625    0.9375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7625    2.2708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208   -1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2417    1.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7083   -2.6417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6750   -1.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5500    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542    2.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5208   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7000   -0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5333   -2.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0208   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  2  0  0  0  0
  6  3  1  0  0  0  0
  7 11  1  0  0  0  0
  8 10  1  0  0  0  0
  9  2  1  0  0  0  0
 10  6  2  0  0  0  0
 11 16  2  0  0  0  0
 12 21  1  0  0  0  0
 13 22  1  0  0  0  0
 14  8  1  0  0  0  0
 15 12  1  0  0  0  0
 16  9  1  0  0  0  0
 17 14  1  0  0  0  0
 18  7  1  0  0  0  0
 19 13  1  0  0  0  0
 20  6  1  0  0  0  0
 21 20  2  0  0  0  0
 22 23  2  0  0  0  0
 23 16  1  0  0  0  0
 24 18  1  0  0  0  0
 25 19  1  0  0  0  0
  4  5  1  0  0  0  0
 12  8  2  0  0  0  0
 15 17  1  0  0  0  0
 13  7  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (4,244)
4244

>  <Formula> (4,244)
C18H14N2O4S

>  <MolWeight> (4,244)
354.37976

>  <COMPOUND_NAME> (4,244)
WAY-647489

>  <BAR_CODE_NO> (4,244)
90482116

$$$$
WAY-647524
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -0.2083   -1.3875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0500   -0.6042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2625    2.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167    3.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583   -2.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5625    0.9708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792   -1.6417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9875   -1.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542   -0.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000    0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458    2.1958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458    0.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1125    0.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708   -2.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0917   -2.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708   -3.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5208   -3.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1625   -3.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208   -4.5250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.3042    3.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292    3.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167    4.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042    4.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3 11  1  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6 13  1  0  0  0  0
  7  1  2  0  0  0  0
  8  1  2  0  0  0  0
  9  2  1  0  0  0  0
 10  2  1  0  0  0  0
 11  6  1  0  0  0  0
 12  3  2  0  0  0  0
 13 10  1  0  0  0  0
 14  9  1  0  0  0  0
 15  5  2  0  0  0  0
 16  5  1  0  0  0  0
 17 19  1  0  0  0  0
 18 15  1  0  0  0  0
 19 16  2  0  0  0  0
 20 17  1  0  0  0  0
 21  4  1  0  0  0  0
 22  4  1  0  0  0  0
 23 22  1  0  0  0  0
 24 21  1  0  0  0  0
 17 18  2  0  0  0  0
  6 14  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (4,245)
4245

>  <Formula> (4,245)
C16H22ClN3O3S

>  <MolWeight> (4,245)
371.88218

>  <COMPOUND_NAME> (4,245)
WAY-647524

>  <BAR_CODE_NO> (4,245)
90482152

$$$$
WAY-647625
csChFnd80/06171916322D

 30 34  0  0  0  0  0  0  0  0999 V2000
   -0.9333   -0.1542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9333   -0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6458    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917   -0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208   -1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3625   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0750    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208    1.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6458   -1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0750    1.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9250   -0.1542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8583   -0.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8583    1.3333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6458    1.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0667    1.0750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3458    0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6417    1.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3625    1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6417    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3542    1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0667    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3542   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   -1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208   -2.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3542    2.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917   -2.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   -2.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  7  2  0  0  0  0
  7  4  1  0  0  0  0
  8  3  2  0  0  0  0
  9  5  2  0  0  0  0
 10  9  1  0  0  0  0
 11  2  2  0  0  0  0
 12  4  2  0  0  0  0
 13 21  1  0  0  0  0
 14  8  1  0  0  0  0
 15 10  1  0  0  0  0
 16 13  1  0  0  0  0
 17  5  1  0  0  0  0
 18 24  1  0  0  0  0
 19 15  1  0  0  0  0
 20 22  2  0  0  0  0
 21 17  2  0  0  0  0
 22 14  1  0  0  0  0
 23 20  1  0  0  0  0
 24 25  2  0  0  0  0
 25 22  1  0  0  0  0
 26  6  1  0  0  0  0
 27  7  1  0  0  0  0
 28 23  1  0  0  0  0
 29 27  2  0  0  0  0
 30 29  1  0  0  0  0
  6  3  1  0  0  0  0
 13 10  2  0  0  0  0
 19 16  1  0  0  0  0
 30 26  2  0  0  0  0
 18 23  2  0  0  0  0
M  END
>  <Mol_ID> (4,246)
4246

>  <Formula> (4,246)
C23H17N3O4

>  <MolWeight> (4,246)
399.39878

>  <COMPOUND_NAME> (4,246)
WAY-647625

>  <BAR_CODE_NO> (4,246)
90482253

$$$$
WAY-647636
csChFnd80/06171916322D

 31 35  0  0  0  0  0  0  0  0999 V2000
   -4.2712   -0.6806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2724   -1.5080    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5576   -1.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8411   -1.5075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8440   -0.6770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5594   -0.2678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1323   -0.2598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3804   -0.5927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8325    0.0240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2497    0.7357    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0555    0.5589    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1698   -1.3848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7532   -1.9621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5430   -2.7535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7510   -2.9678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1692   -2.3845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3824   -1.5952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0115    0.0277    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5719    0.6152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3677    0.4027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3635   -0.4223    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0802    0.8194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8005    0.4056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5125    0.8216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0772    1.6381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7862    2.0564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5060    1.6452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2180    2.0607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2165    2.8891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4967    3.3002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7784    2.8830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 14 15  2  0  0  0  0
 10 11  1  0  0  0  0
 15 16  1  0  0  0  0
  3  4  2  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
  8  9  1  0  0  0  0
  9 18  1  0  0  0  0
 18 19  1  0  0  0  0
  4  5  1  0  0  0  0
 19 20  1  0  0  0  0
  2  3  1  0  0  0  0
 20 21  2  0  0  0  0
  7  8  1  0  0  0  0
 20 22  1  0  0  0  0
  9 10  2  0  0  0  0
 22 23  2  0  0  0  0
 11  7  2  0  0  0  0
 23 24  1  0  0  0  0
 24 27  2  0  0  0  0
  5  6  2  0  0  0  0
 26 25  2  0  0  0  0
 25 22  1  0  0  0  0
 26 27  1  0  0  0  0
  8 12  1  0  0  0  0
  6  1  1  0  0  0  0
 12 13  2  0  0  0  0
  1  2  2  0  0  0  0
 13 14  1  0  0  0  0
  5  7  1  0  0  0  0
 26 31  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (4,247)
4247

>  <Formula> (4,247)
C23H18N4O3S

>  <MolWeight> (4,247)
430.47902

>  <COMPOUND_NAME> (4,247)
WAY-647636

>  <BAR_CODE_NO> (4,247)
90482264

$$$$
WAY-647729
csChFnd80/06171916322D

 21 24  0  0  0  0  0  0  0  0999 V2000
   -0.7875    0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7875   -0.5875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    1.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708    0.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7875    1.8958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6417   -0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3542   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2833    1.7333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708    1.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7708    1.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2833    0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667   -0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7875   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708   -1.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6417    0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3542   -1.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6417   -2.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3542    0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667    0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7 11  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  4  1  0  0  0  0
 11  5  2  0  0  0  0
 12 13  2  0  0  0  0
 13  2  1  0  0  0  0
 14  9  2  0  0  0  0
 15 14  1  0  0  0  0
 16  6  2  0  0  0  0
 17  8  2  0  0  0  0
 18 19  2  0  0  0  0
 19 16  1  0  0  0  0
 20 17  1  0  0  0  0
 21 20  2  0  0  0  0
  7  4  2  0  0  0  0
 12 10  1  0  0  0  0
  9 18  1  0  0  0  0
 21 14  1  0  0  0  0
M  END
>  <Mol_ID> (4,248)
4248

>  <Formula> (4,248)
C16H11N3OS

>  <MolWeight> (4,248)
293.34304

>  <COMPOUND_NAME> (4,248)
WAY-647729

>  <BAR_CODE_NO> (4,248)
90482357

$$$$
WAY-647766
csChFnd80/06171916322D

 23 26  0  0  0  0  0  0  0  0999 V2000
    0.1667   -1.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458   -0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542   -2.4542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167   -1.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458   -1.2250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667    0.0125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4750   -1.9167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0625   -2.6292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667    0.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458    1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2625    0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2625    0.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583   -3.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9750   -0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9750    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5917    0.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6875    0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6875    0.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5917    2.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3125    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3125    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8  3  1  0  0  0  0
  9  6  2  0  0  0  0
 10 12  2  0  0  0  0
 11  2  2  0  0  0  0
 12 11  1  0  0  0  0
 13  9  1  0  0  0  0
 14  3  1  0  0  0  0
 15 11  1  0  0  0  0
 16 12  1  0  0  0  0
 17 13  1  0  0  0  0
 18 13  2  0  0  0  0
 19 15  2  0  0  0  0
 20 19  1  0  0  0  0
 21 18  1  0  0  0  0
 22 17  2  0  0  0  0
 23 21  2  0  0  0  0
  7  8  2  0  0  0  0
 10  9  1  0  0  0  0
 20 16  2  0  0  0  0
 23 22  1  0  0  0  0
M  END
>  <Mol_ID> (4,249)
4249

>  <Formula> (4,249)
C16H12N6S

>  <MolWeight> (4,249)
320.37168

>  <COMPOUND_NAME> (4,249)
WAY-647766

>  <BAR_CODE_NO> (4,249)
90482394

$$$$
WAY-647802
csChFnd80/06171916322D

 18 19  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.8958    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208    1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125    3.3000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125   -3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 11  1  0  0  0  0
  3  1  1  0  0  0  0
  4  8  1  0  0  0  0
  5  3  2  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8 17  1  0  0  0  0
  9  1  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12  5  1  0  0  0  0
 13  4  1  0  0  0  0
 14  4  1  0  0  0  0
 15  3  1  0  0  0  0
 16  6  2  0  0  0  0
 17 15  2  0  0  0  0
 18  6  1  0  0  0  0
  8 12  2  0  0  0  0
 10  2  1  0  0  0  0
M  END
>  <Mol_ID> (4,250)
4250

>  <Formula> (4,250)
C11H14N4O3

>  <MolWeight> (4,250)
250.25386

>  <COMPOUND_NAME> (4,250)
WAY-647802

>  <BAR_CODE_NO> (4,250)
90482431

$$$$
WAY-647993
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -0.1208    0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6000    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6000   -0.6292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042    0.0333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3875   -0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3875    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042    1.4625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9417    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3458   -1.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1000   -0.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1000    0.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4292    1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4292    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9000   -2.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8208   -0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8208    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6458   -2.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2167    0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2167    1.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8  5  2  0  0  0  0
  9  5  1  0  0  0  0
 10  3  1  0  0  0  0
 11  6  1  0  0  0  0
 12  7  1  0  0  0  0
 13  9  1  0  0  0  0
 14  9  1  0  0  0  0
 15 10  1  0  0  0  0
 16 11  2  0  0  0  0
 17 12  2  0  0  0  0
 18 15  1  0  0  0  0
 19 14  1  0  0  0  0
 20 13  1  0  0  0  0
  6  7  2  0  0  0  0
 16 17  1  0  0  0  0
 20 19  1  0  0  0  0
M  END
>  <Mol_ID> (4,251)
4251

>  <Formula> (4,251)
C16H21N3O

>  <MolWeight> (4,251)
271.35744

>  <COMPOUND_NAME> (4,251)
WAY-647993

>  <BAR_CODE_NO> (4,251)
90482626

$$$$
WAY-648033
csChFnd80/06171916322D

 33 37  0  0  0  0  0  0  0  0999 V2000
   -0.2833   -2.1875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292    1.5250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833    1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833   -1.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292    2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000    1.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833    2.7708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833   -3.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833    0.2875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000    2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8542   -2.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292   -3.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083   -2.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417   -2.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417   -3.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292   -0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000   -0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000   -0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292   -0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417    2.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7125    1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000   -3.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7125    2.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8542    2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417    3.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4250    1.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4250    2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833   -4.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8542    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5750    2.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5750    3.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  9  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  2  0  0  0  0
  6  3  2  0  0  0  0
  7 10  2  0  0  0  0
  8  1  1  0  0  0  0
  9 18  1  0  0  0  0
 10  6  1  0  0  0  0
 11 15  3  0  0  0  0
 12  8  2  0  0  0  0
 13  1  2  0  0  0  0
 14  1  2  0  0  0  0
 15 12  1  0  0  0  0
 16  4  1  0  0  0  0
 17  4  1  0  0  0  0
 18 17  1  0  0  0  0
 19 16  1  0  0  0  0
 20  5  1  0  0  0  0
 21  6  1  0  0  0  0
 22  8  1  0  0  0  0
 23 10  1  0  0  0  0
 24 12  1  0  0  0  0
 25 20  1  0  0  0  0
 26 20  2  0  0  0  0
 27 21  2  0  0  0  0
 28 22  2  0  0  0  0
 29 27  1  0  0  0  0
 30 28  1  0  0  0  0
 31 26  1  0  0  0  0
 32 25  2  0  0  0  0
 33 31  2  0  0  0  0
  9 19  1  0  0  0  0
 30 24  2  0  0  0  0
  7  5  1  0  0  0  0
 29 23  2  0  0  0  0
 33 32  1  0  0  0  0
M  END
>  <Mol_ID> (4,252)
4252

>  <Formula> (4,252)
C25H21N5O2S

>  <MolWeight> (4,252)
455.53154

>  <COMPOUND_NAME> (4,252)
WAY-648033

>  <BAR_CODE_NO> (4,252)
90482667

$$$$
WAY-648134
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    1.1750    0.0375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3917    0.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1208   -0.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542    0.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9083   -0.2292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1208   -1.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3917    1.1208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1750    1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4500   -0.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3958   -0.9042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9083   -1.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6958   -0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4792    0.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2750   -0.1917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6125   -1.1625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8917   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8917    1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333    0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1292    0.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7167    1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7167   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9542    0.7083    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1583   -2.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  9  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  2  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8  4  2  0  0  0  0
  9 12  1  0  0  0  0
 10  5  1  0  0  0  0
 11  6  2  0  0  0  0
 12 18  1  0  0  0  0
 13  4  1  0  0  0  0
 14  2  1  0  0  0  0
 15 12  2  0  0  0  0
 16 13  1  0  0  0  0
 17 13  2  0  0  0  0
 18 14  1  0  0  0  0
 19 20  2  0  0  0  0
 20 17  1  0  0  0  0
 21 16  2  0  0  0  0
 22 19  1  0  0  0  0
 23 11  1  0  0  0  0
  7  8  1  0  0  0  0
 19 21  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <Mol_ID> (4,253)
4253

>  <Formula> (4,253)
C15H12FN3O2S2

>  <MolWeight> (4,253)
349.4030832

>  <COMPOUND_NAME> (4,253)
WAY-648134

>  <BAR_CODE_NO> (4,253)
90482768

$$$$
WAY-648171
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -0.3083    1.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1750    2.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1750    1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9625    2.1250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1792   -1.0417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208    0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9625    1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0167   -2.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083   -2.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5667   -2.7875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0167   -1.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6750   -1.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6375   -2.8042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292   -0.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833    3.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542   -3.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2750   -2.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8958   -2.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1000   -3.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542   -3.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8833   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8875    3.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667    3.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167    4.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458    4.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5958    4.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  7  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8  4  2  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11  9  1  0  0  0  0
 12  6  1  0  0  0  0
 13  6  1  0  0  0  0
 14 10  1  0  0  0  0
 15  3  2  0  0  0  0
 16  2  1  0  0  0  0
 17 11  1  0  0  0  0
 18  9  2  0  0  0  0
 19 10  2  0  0  0  0
 20 14  1  0  0  0  0
 21 18  1  0  0  0  0
 22 19  1  0  0  0  0
 23 16  2  0  0  0  0
 24 16  1  0  0  0  0
 25 24  2  0  0  0  0
 26 23  1  0  0  0  0
 27 25  1  0  0  0  0
  5  8  1  0  0  0  0
 27 26  2  0  0  0  0
 20 22  2  0  0  0  0
 17 21  2  0  0  0  0
M  END
>  <Mol_ID> (4,254)
4254

>  <Formula> (4,254)
C21H18N2O2S2

>  <MolWeight> (4,254)
394.50982

>  <COMPOUND_NAME> (4,254)
WAY-648171

>  <BAR_CODE_NO> (4,254)
90482806

$$$$
WAY-648368
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    0.0667    1.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208    2.1625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542    1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542    2.5833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667    2.8333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1875    0.7083    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1125   -0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6625   -1.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2458    2.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667    0.0958    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.6958   -0.8542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042   -2.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9625   -2.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1750    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6583    1.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6583    2.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042   -3.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667   -2.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4833    2.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4833    1.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167   -3.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542   -4.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8958    2.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -3.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7 10  1  0  0  0  0
  8  7  1  0  0  0  0
  9  2  1  0  0  0  0
 10  6  1  0  0  0  0
 11  7  2  0  0  0  0
 12  8  1  0  0  0  0
 13 12  1  0  0  0  0
 14 10  1  0  0  0  0
 15  9  2  0  0  0  0
 16  9  1  0  0  0  0
 17 13  1  0  0  0  0
 18 13  1  0  0  0  0
 19 16  2  0  0  0  0
 20 15  1  0  0  0  0
 21 18  1  0  0  0  0
 22 17  1  0  0  0  0
 23 19  1  0  0  0  0
 24 21  1  0  0  0  0
  5  4  2  0  0  0  0
 23 20  2  0  0  0  0
 24 22  1  0  0  0  0
M  END
>  <Mol_ID> (4,255)
4255

>  <Formula> (4,255)
C17H23N5OS

>  <MolWeight> (4,255)
345.46242

>  <COMPOUND_NAME> (4,255)
WAY-648368

>  <BAR_CODE_NO> (4,255)
90483007

$$$$
WAY-648382
csChFnd80/06171916322D

 24 27  0  0  0  0  0  0  0  0999 V2000
    0.4375   -1.5250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8625    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2750   -1.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8875   -1.3792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5583   -0.6292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3417    2.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8625    3.4208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0750    2.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167    1.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0750    3.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167   -0.1042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3625   -2.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5625    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333   -4.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9167    1.1208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6375    1.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2083   -3.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167   -4.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6375    3.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042   -3.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208   -3.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3583    2.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3583    3.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 10  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  1  1  0  0  0  0
  6  5  2  0  0  0  0
  7  2  2  0  0  0  0
  8  7  1  0  0  0  0
  9  2  1  0  0  0  0
 10 14  1  0  0  0  0
 11  9  2  0  0  0  0
 12  5  1  0  0  0  0
 13  3  1  0  0  0  0
 14 12  1  0  0  0  0
 15 18  1  0  0  0  0
 16 10  2  0  0  0  0
 17  9  1  0  0  0  0
 18 22  2  0  0  0  0
 19 21  1  0  0  0  0
 20 11  1  0  0  0  0
 21 13  2  0  0  0  0
 22 13  1  0  0  0  0
 23 17  2  0  0  0  0
 24 23  1  0  0  0  0
  4  6  1  0  0  0  0
 15 19  2  0  0  0  0
 11  8  1  0  0  0  0
 24 20  2  0  0  0  0
M  END
>  <Mol_ID> (4,256)
4256

>  <Formula> (4,256)
C17H13N5OS

>  <MolWeight> (4,256)
335.38302

>  <COMPOUND_NAME> (4,256)
WAY-648382

>  <BAR_CODE_NO> (4,256)
90483022

$$$$
WAY-648388
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
   -1.1083   -0.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8208   -0.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8208    0.8458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5375   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5375    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958   -0.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958    0.8458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8208   -1.6292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292    0.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7500    0.4333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958   -1.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292    1.6708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4625    0.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8917    1.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2500   -0.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6042    2.0833    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.1792    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4625    1.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1792    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8917    0.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083   -2.0417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2500    0.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167   -2.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083   -2.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9708   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292   -0.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9708    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292   -1.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  2  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  3  2  0  0  0  0
 10 14  1  0  0  0  0
 11 10  1  0  0  0  0
 12  7  2  0  0  0  0
 13 10  2  0  0  0  0
 14  8  1  0  0  0  0
 15 11  1  0  0  0  0
 16 21  2  0  0  0  0
 17  5  1  0  0  0  0
 18 16  1  0  0  0  0
 19 15  1  0  0  0  0
 20 15  2  0  0  0  0
 21 20  1  0  0  0  0
 22 19  2  0  0  0  0
 23 12  1  0  0  0  0
 24  7  1  0  0  0  0
 25  6  1  0  0  0  0
 26 12  1  0  0  0  0
 27 23  1  0  0  0  0
 28 17  2  0  0  0  0
 29 24  2  0  0  0  0
 30 28  1  0  0  0  0
 31 29  1  0  0  0  0
  6  4  1  0  0  0  0
 31 26  2  0  0  0  0
 30 25  2  0  0  0  0
 16 22  1  0  0  0  0
M  END
>  <Mol_ID> (4,257)
4257

>  <Formula> (4,257)
C23H18BrN3O3S

>  <MolWeight> (4,257)
496.37632

>  <COMPOUND_NAME> (4,257)
WAY-648388

>  <BAR_CODE_NO> (4,257)
90483028

$$$$
WAY-648559
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
   -1.6208   -2.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3333   -1.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292    0.8458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9542    1.6708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1875    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9000   -1.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9000   -0.8042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6208   -2.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1875   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292    1.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2417    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9542    0.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2417    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0458   -2.0417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6667    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3333   -0.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9000    0.8458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1875   -2.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9000   -3.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1875   -2.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9000   -4.1042    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.6667    2.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3875    1.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6208   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0458   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1000    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6208    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0458    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3875    3.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1000    2.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3333    0.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  5  1  0  0  0  0
  4 12  1  0  0  0  0
  5  9  1  0  0  0  0
  6  1  2  0  0  0  0
  7  6  1  0  0  0  0
  8  1  1  0  0  0  0
  9  7  1  0  0  0  0
 10  3  1  0  0  0  0
 11  3  1  0  0  0  0
 12 11  1  0  0  0  0
 13 10  1  0  0  0  0
 14  2  2  0  0  0  0
 15  4  1  0  0  0  0
 16  2  1  0  0  0  0
 17  5  2  0  0  0  0
 18  6  1  0  0  0  0
 19  8  2  0  0  0  0
 20 19  1  0  0  0  0
 21 19  1  0  0  0  0
 22 15  2  0  0  0  0
 23 15  1  0  0  0  0
 24 16  1  0  0  0  0
 25 16  2  0  0  0  0
 26 23  2  0  0  0  0
 27 24  2  0  0  0  0
 28 25  1  0  0  0  0
 29 22  1  0  0  0  0
 30 26  1  0  0  0  0
 31 28  2  0  0  0  0
 18 20  2  0  0  0  0
 31 27  1  0  0  0  0
  4 13  1  0  0  0  0
 30 29  2  0  0  0  0
M  END
>  <Mol_ID> (4,258)
4258

>  <Formula> (4,258)
C25H24ClN3O2

>  <MolWeight> (4,258)
433.92996

>  <COMPOUND_NAME> (4,258)
WAY-648559

>  <BAR_CODE_NO> (4,258)
90483202

$$$$
WAY-648576
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -0.7208    0.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083    1.5958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042    0.3583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083    0.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083    1.4375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9958    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167    1.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7583   -0.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167    2.4208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083   -0.8792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167   -2.5292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292    2.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2083   -1.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5708   -0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042   -1.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042   -2.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167   -3.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8500    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8208   -1.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4625   -2.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8500    1.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2708   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  5  2  0  0  0  0
  8  2  1  0  0  0  0
  9  6  2  0  0  0  0
 10  7  1  0  0  0  0
 11  6  1  0  0  0  0
 12 10  2  0  0  0  0
 13  3  1  0  0  0  0
 14 20  1  0  0  0  0
 15 12  1  0  0  0  0
 16 10  1  0  0  0  0
 17 11  2  0  0  0  0
 18 11  1  0  0  0  0
 19 13  1  0  0  0  0
 20 19  1  0  0  0  0
 21 14  1  0  0  0  0
 22 25  1  0  0  0  0
 23 18  2  0  0  0  0
 24 17  1  0  0  0  0
 25 16  2  0  0  0  0
 26 23  1  0  0  0  0
  9  8  1  0  0  0  0
  7  4  1  0  0  0  0
 26 24  2  0  0  0  0
 22 15  2  0  0  0  0
M  END
>  <Mol_ID> (4,259)
4259

>  <Formula> (4,259)
C20H18N4OS

>  <MolWeight> (4,259)
362.44812

>  <COMPOUND_NAME> (4,259)
WAY-648576

>  <BAR_CODE_NO> (4,259)
90483219

$$$$
WAY-648617
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    0.5917    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917    3.4208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1875    2.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458   -4.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5250   -3.5625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8500    1.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458   -2.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1875    3.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7417   -3.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958   -2.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7417   -3.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3000    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542   -0.0917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8083   -0.5417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542    1.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958   -5.0167    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083    1.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083    3.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6208    2.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6208    3.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  6  1  0  0  0  0
  6  8  1  0  0  0  0
  7  1  1  0  0  0  0
  8 12  1  0  0  0  0
  9  4  2  0  0  0  0
 10 14  1  0  0  0  0
 11 16  1  0  0  0  0
 12 13  2  0  0  0  0
 13 11  1  0  0  0  0
 14  8  2  0  0  0  0
 15  7  1  0  0  0  0
 16 15  1  0  0  0  0
 17 11  2  0  0  0  0
 18  7  2  0  0  0  0
 19  5  1  0  0  0  0
 20  4  1  0  0  0  0
 21  9  1  0  0  0  0
 22 20  2  0  0  0  0
 23 22  1  0  0  0  0
  9  3  1  0  0  0  0
 23 21  2  0  0  0  0
 10  5  2  0  0  0  0
M  END
>  <Mol_ID> (4,260)
4260

>  <Formula> (4,260)
C17H12BrNO4

>  <MolWeight> (4,260)
374.18548

>  <COMPOUND_NAME> (4,260)
WAY-648617

>  <BAR_CODE_NO> (4,260)
90483260

$$$$
WAY-648618
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
    0.0792    0.6583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792    1.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333    1.8958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458    0.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458    1.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   -4.3292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -3.0542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4667   -3.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3875   -4.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292   -3.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5125    3.1333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333   -0.5792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000    2.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -2.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0583    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792   -1.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5125    1.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0583    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2250    2.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2250    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7750    0.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7750    1.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  2  0  0  0  0
  6  5  1  0  0  0  0
  7  2  1  0  0  0  0
  8 10  2  0  0  0  0
  9 16  1  0  0  0  0
 10  9  1  0  0  0  0
 11 12  2  0  0  0  0
 12  9  1  0  0  0  0
 13 15  1  0  0  0  0
 14  3  1  0  0  0  0
 15  7  2  0  0  0  0
 16 18  1  0  0  0  0
 17  5  1  0  0  0  0
 18 21  1  0  0  0  0
 19  7  1  0  0  0  0
 20  6  1  0  0  0  0
 21 14  1  0  0  0  0
 22 23  1  0  0  0  0
 23 19  2  0  0  0  0
 24 17  2  0  0  0  0
 25 24  1  0  0  0  0
  6  4  2  0  0  0  0
 20 25  2  0  0  0  0
 22 13  2  0  0  0  0
  8 11  1  0  0  0  0
M  END
>  <Mol_ID> (4,261)
4261

>  <Formula> (4,261)
C19H18N6

>  <MolWeight> (4,261)
330.38642

>  <COMPOUND_NAME> (4,261)
WAY-648618

>  <BAR_CODE_NO> (4,261)
90483261

$$$$
WAY-648683
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    1.5292    1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0500    0.3750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542    1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0500    1.7083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2625    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2625    1.4583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3208   -2.1292    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.8417    0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4083   -1.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4083    0.1458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8417    1.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6292    0.6333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9875   -2.6167    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.6292    1.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5708   -2.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7375   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1583    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8250   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5875   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583   -0.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2458   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5833    0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  9  1  0  0  0  0
  8  3  2  0  0  0  0
  9 16  1  0  0  0  0
 10  5  1  0  0  0  0
 11  3  1  0  0  0  0
 12  8  1  0  0  0  0
 13  7  1  0  0  0  0
 14 11  2  0  0  0  0
 15  7  2  0  0  0  0
 16 19  2  0  0  0  0
 17  2  1  0  0  0  0
 18 10  1  0  0  0  0
 19 18  1  0  0  0  0
 20  8  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 19  1  0  0  0  0
  5  6  2  0  0  0  0
 14 12  1  0  0  0  0
 21  9  2  0  0  0  0
M  END
>  <Mol_ID> (4,262)
4262

>  <Formula> (4,262)
C15H14N4O3S

>  <MolWeight> (4,262)
330.36166

>  <COMPOUND_NAME> (4,262)
WAY-648683

>  <BAR_CODE_NO> (4,262)
90483326

$$$$
WAY-648740
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.3250    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4625    0.9375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1500   -2.6250    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.4625    1.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833   -0.0917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0250   -0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8083    1.3500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3250    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458   -2.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0875   -1.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1292    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7000   -2.0125    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.4083   -3.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0417    3.0708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7792   -0.5417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958   -3.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667   -2.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167   -2.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7042    3.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8792    1.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4625    3.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5500    2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  9  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9 11  2  0  0  0  0
 10  6  1  0  0  0  0
 11 10  1  0  0  0  0
 12  4  1  0  0  0  0
 13  3  1  0  0  0  0
 14  3  2  0  0  0  0
 15 12  2  0  0  0  0
 16  6  2  0  0  0  0
 17 19  2  0  0  0  0
 18 10  2  0  0  0  0
 19 18  1  0  0  0  0
 20 15  1  0  0  0  0
 21 12  1  0  0  0  0
 22 23  1  0  0  0  0
 23 21  2  0  0  0  0
  8  4  2  0  0  0  0
 17  9  1  0  0  0  0
 22 20  2  0  0  0  0
M  END
>  <Mol_ID> (4,263)
4263

>  <Formula> (4,263)
C15H10N4O3S

>  <MolWeight> (4,263)
326.3299

>  <COMPOUND_NAME> (4,263)
WAY-648740

>  <BAR_CODE_NO> (4,263)
90483383

$$$$
WAY-648764
csChFnd80/06171916322D

 23 26  0  0  0  0  0  0  0  0999 V2000
   -0.9379    0.6446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0276    0.0343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1448    0.0343    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9379    1.8964    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0276   -1.2174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1138    0.6446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1448   -1.2174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1448    2.5205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9379   -1.8485    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1138   -1.8485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1897    0.0343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2241   -1.8485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2241    1.8964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1448    3.7722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1897   -1.2174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3069   -1.2174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2241   -3.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3069    2.5205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2241    4.3964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3862   -1.8485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3069   -3.7036    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3069    3.7722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3862   -3.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
 10 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 17  2  0  0  0  0
 13 18  1  0  0  0  0
 14 19  1  0  0  0  0
 16 20  2  0  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
 20 23  1  0  0  0  0
  7  9  2  0  0  0  0
 11 15  2  0  0  0  0
 19 22  1  0  0  0  0
 21 23  2  0  0  0  0
M  END
>  <Mol_ID> (4,264)
4264

>  <Formula> (4,264)
C19H20N4

>  <MolWeight> (4,264)
304.3889

>  <COMPOUND_NAME> (4,264)
WAY-648764

>  <BAR_CODE_NO> (4,264)
90483407

$$$$
WAY-648781
csChFnd80/06171916322D

 35 40  0  0  0  0  0  0  0  0999 V2000
   -0.2708   -1.7292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417    1.9833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708    1.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417    2.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708   -0.9042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9833    1.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708    3.2208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708   -2.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708    0.7458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9833    2.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417   -2.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417   -3.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958   -1.7292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542   -1.7292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9833   -0.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417   -0.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708   -4.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9833    0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417    0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1625    3.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1625   -4.2042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9833   -2.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708   -5.0292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9833   -3.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6958    1.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6958    3.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1625   -5.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417   -5.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8750    2.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1625    4.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4125    1.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4125    2.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8750    4.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5917    3.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5917    4.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  9  1  0  0  0  0
  4  2  2  0  0  0  0
  5  1  1  0  0  0  0
  6  3  2  0  0  0  0
  7 10  2  0  0  0  0
  8  1  1  0  0  0  0
  9 19  1  0  0  0  0
 10  6  1  0  0  0  0
 11  8  2  0  0  0  0
 12 11  1  0  0  0  0
 13  1  2  0  0  0  0
 14  1  2  0  0  0  0
 15  5  1  0  0  0  0
 16  5  1  0  0  0  0
 17 24  1  0  0  0  0
 18 15  1  0  0  0  0
 19 16  1  0  0  0  0
 20  4  1  0  0  0  0
 21 12  1  0  0  0  0
 22  8  1  0  0  0  0
 23 17  1  0  0  0  0
 24 22  2  0  0  0  0
 25  6  1  0  0  0  0
 26 10  1  0  0  0  0
 27 21  1  0  0  0  0
 28 23  1  0  0  0  0
 29 20  1  0  0  0  0
 30 20  2  0  0  0  0
 31 25  2  0  0  0  0
 32 31  1  0  0  0  0
 33 30  1  0  0  0  0
 34 29  2  0  0  0  0
 35 33  2  0  0  0  0
  9 18  1  0  0  0  0
 17 12  2  0  0  0  0
 27 28  1  0  0  0  0
  7  4  1  0  0  0  0
 32 26  2  0  0  0  0
 35 34  1  0  0  0  0
M  END
>  <Mol_ID> (4,265)
4265

>  <Formula> (4,265)
C26H24N4O4S

>  <MolWeight> (4,265)
488.55816

>  <COMPOUND_NAME> (4,265)
WAY-648781

>  <BAR_CODE_NO> (4,265)
90483424

$$$$
WAY-648818
csChFnd80/06171916322D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.3917   -1.9792    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.3917   -1.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208   -0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3917    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3917    1.3208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042   -0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208   -2.3917    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.1042   -2.3917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7500   -0.7417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333   -1.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0625    1.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708    1.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7500    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208    2.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8042    2.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  8  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  7  2  1  0  0  0  0
  8  7  2  0  0  0  0
  9  1  1  0  0  0  0
 10  1  2  0  0  0  0
 11 12  2  0  0  0  0
 12  3  1  0  0  0  0
 13  6  1  0  0  0  0
 14  6  1  0  0  0  0
 15  5  1  0  0  0  0
 16 11  1  0  0  0  0
 17 14  1  0  0  0  0
 18 13  1  0  0  0  0
  4  5  2  0  0  0  0
 16 15  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (4,266)
4266

>  <Formula> (4,266)
C13H13N3O2

>  <MolWeight> (4,266)
243.26122

>  <COMPOUND_NAME> (4,266)
WAY-648818

>  <BAR_CODE_NO> (4,266)
90483461

$$$$
WAY-648842
csChFnd80/06171916322D

 33 37  0  0  0  0  0  0  0  0999 V2000
   -0.3250   -1.9375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3875    1.7750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3250    1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3875    2.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3250   -1.1125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0458    1.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3250    3.0208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3250    0.5375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3250   -2.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0458    2.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3875   -0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0458   -0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000   -1.9375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1500   -1.9375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3875   -3.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0458    0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3875    0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042    3.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3875   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7583    1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7583    3.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8167    2.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042    3.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042   -4.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3250   -4.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4708    1.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4708    2.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8167    4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5292    3.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3250   -5.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042   -5.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3875   -5.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5292    3.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  4  2  2  0  0  0  0
  5  1  1  0  0  0  0
  6  3  2  0  0  0  0
  7 10  2  0  0  0  0
  8 16  1  0  0  0  0
  9  1  1  0  0  0  0
 10  6  1  0  0  0  0
 11  5  1  0  0  0  0
 12  5  1  0  0  0  0
 13  1  2  0  0  0  0
 14  1  2  0  0  0  0
 15  9  2  0  0  0  0
 16 12  1  0  0  0  0
 17 11  1  0  0  0  0
 18  4  1  0  0  0  0
 19 15  1  0  0  0  0
 20  6  1  0  0  0  0
 21 10  1  0  0  0  0
 22 18  1  0  0  0  0
 23 18  2  0  0  0  0
 24 19  2  0  0  0  0
 25 19  1  0  0  0  0
 26 20  2  0  0  0  0
 27 26  1  0  0  0  0
 28 23  1  0  0  0  0
 29 22  2  0  0  0  0
 30 25  2  0  0  0  0
 31 24  1  0  0  0  0
 32 30  1  0  0  0  0
 33 28  2  0  0  0  0
  8 17  1  0  0  0  0
 32 31  2  0  0  0  0
  7  4  1  0  0  0  0
 27 21  2  0  0  0  0
 33 29  1  0  0  0  0
M  END
>  <Mol_ID> (4,267)
4267

>  <Formula> (4,267)
C26H24N4O2S

>  <MolWeight> (4,267)
456.55936

>  <COMPOUND_NAME> (4,267)
WAY-648842

>  <BAR_CODE_NO> (4,267)
90483485

$$$$
WAY-648843
csChFnd80/06171916322D

 32 36  0  0  0  0  0  0  0  0999 V2000
   -0.1833   -2.1875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292    1.5250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833    1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292    2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833   -1.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8958    1.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833    2.7708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833    0.2875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8958    2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833   -3.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083   -2.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6417   -2.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292   -0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8958   -0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8958   -0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292   -0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2500    2.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292   -3.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8958   -3.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8958   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6083    1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833   -4.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6083    2.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9625    2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2500    3.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833   -5.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3250    1.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3250    2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9625    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6792    2.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6792    3.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  4  2  2  0  0  0  0
  5  1  1  0  0  0  0
  6  3  2  0  0  0  0
  7  9  2  0  0  0  0
  8 15  1  0  0  0  0
  9  6  1  0  0  0  0
 10  1  1  0  0  0  0
 11  1  2  0  0  0  0
 12  1  2  0  0  0  0
 13  5  1  0  0  0  0
 14  5  1  0  0  0  0
 15 14  1  0  0  0  0
 16 13  1  0  0  0  0
 17  4  1  0  0  0  0
 18 10  1  0  0  0  0
 19 10  2  0  0  0  0
 20 18  2  0  0  0  0
 21 19  1  0  0  0  0
 22  6  1  0  0  0  0
 23 21  2  0  0  0  0
 24  9  1  0  0  0  0
 25 17  1  0  0  0  0
 26 17  2  0  0  0  0
 27 23  1  0  0  0  0
 28 22  2  0  0  0  0
 29 28  1  0  0  0  0
 30 26  1  0  0  0  0
 31 25  2  0  0  0  0
 32 30  2  0  0  0  0
  8 16  1  0  0  0  0
 20 23  1  0  0  0  0
  7  4  1  0  0  0  0
 29 24  2  0  0  0  0
 32 31  1  0  0  0  0
M  END
>  <Mol_ID> (4,268)
4268

>  <Formula> (4,268)
C25H24N4O2S

>  <MolWeight> (4,268)
444.54866

>  <COMPOUND_NAME> (4,268)
WAY-648843

>  <BAR_CODE_NO> (4,268)
90483486

$$$$
WAY-648852
csChFnd80/06171916322D

 20 21  0  0  0  0  0  0  0  0999 V2000
    0.8792   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583   -0.3625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3625   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1417   -1.4917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542   -1.0792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1417   -0.6667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3625   -1.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7708    0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958    0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0083    1.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542    0.0500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0750   -0.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958    1.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583    1.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7708    1.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8333    1.0708    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.1042    0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8167   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0083    2.4958    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.1042   -2.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  1  2  0  0  0  0
  4  7  2  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11  2  2  0  0  0  0
 12  2  2  0  0  0  0
 13 15  1  0  0  0  0
 14  8  1  0  0  0  0
 15 14  2  0  0  0  0
 16 10  1  0  0  0  0
 17  3  1  0  0  0  0
 18  6  1  0  0  0  0
 19 13  1  0  0  0  0
 20  7  1  0  0  0  0
  6  4  1  0  0  0  0
 13 10  2  0  0  0  0
M  END
>  <Mol_ID> (4,269)
4269

>  <Formula> (4,269)
C12H13Cl2N3O2S

>  <MolWeight> (4,269)
334.22152

>  <COMPOUND_NAME> (4,269)
WAY-648852

>  <BAR_CODE_NO> (4,269)
90483495

$$$$
WAY-648902-A
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -1.5583    0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9708    0.7458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7417    0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2292   -0.6292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7333    0.0333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7333    1.4625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5583    1.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2292    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0167   -0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9708   -0.6792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0167    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7958   -0.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167    0.0333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7292   -0.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7292    0.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2083   -1.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9708    2.1750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4417   -0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4417    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2083    0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7958   -2.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0333   -1.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1625   -0.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0333    0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4458   -0.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3 14  1  0  0  0  0
  4  3  2  0  0  0  0
  5  1  1  0  0  0  0
  6 10  1  0  0  0  0
  7  2  1  0  0  0  0
  8  3  1  0  0  0  0
  9  4  1  0  0  0  0
 10  5  2  0  0  0  0
 11  1  1  0  0  0  0
 12  8  1  0  0  0  0
 13 11  1  0  0  0  0
 14 19  1  0  0  0  0
 15  9  1  0  0  0  0
 16 12  1  0  0  0  0
 17 13  2  0  0  0  0
 18  7  1  0  0  0  0
 19 10  1  0  0  0  0
 20 15  2  0  0  0  0
 21 16  2  0  0  0  0
 22 13  1  0  0  0  0
 23 17  1  0  0  0  0
 24 17  1  0  0  0  0
 25 20  1  0  0  0  0
 26 22  2  0  0  0  0
 27 26  1  0  0  0  0
  7  6  2  0  0  0  0
 27 24  2  0  0  0  0
  9 12  2  0  0  0  0
 21 20  1  0  0  0  0
M  END
>  <Mol_ID> (4,270)
4270

>  <Formula> (4,270)
C19H19N7S

>  <MolWeight> (4,270)
377.46606

>  <COMPOUND_NAME> (4,270)
WAY-648902-A

>  <BAR_CODE_NO> (4,270)
90483545

$$$$
WAY-648907
csChFnd80/06171916322D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -0.5875   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708   -0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8583   -0.9417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5875   -1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708   -1.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292   -0.3792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.1083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792   -0.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167    0.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6625    1.2625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0792    1.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083    0.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8375    1.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0958   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6833   -0.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9208   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6250    0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6250   -2.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5917    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1667    1.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  8  2  0  0  0  0
  7  6  1  0  0  0  0
  8  1  1  0  0  0  0
  9 10  1  0  0  0  0
 10 12  1  0  0  0  0
 11  9  1  0  0  0  0
 12  8  1  0  0  0  0
 13 11  1  0  0  0  0
 14 15  1  0  0  0  0
 15  3  1  0  0  0  0
 16 14  2  0  0  0  0
 17  2  1  0  0  0  0
 18  5  1  0  0  0  0
 19 13  1  0  0  0  0
 20 13  1  0  0  0  0
 21 13  1  0  0  0  0
  3  5  1  0  0  0  0
  9  7  2  0  0  0  0
M  END
>  <Mol_ID> (4,271)
4271

>  <Formula> (4,271)
C16H24N4S

>  <MolWeight> (4,271)
304.45356

>  <COMPOUND_NAME> (4,271)
WAY-648907

>  <BAR_CODE_NO> (4,271)
90483550

$$$$
WAY-648923
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
    2.6875   -1.9167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0208    1.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5000    0.4500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5167   -1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5000    1.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2875    0.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792   -0.3042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2875    1.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6917   -1.0250    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.1958    1.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5042   -2.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3042   -2.4625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3625   -1.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833    0.4083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9750   -2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6917    0.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417    0.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833    1.8333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417   -1.0250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0708    0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0708    1.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5583    1.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5167    0.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9292    1.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9292   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 10  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  2  0  0  0  0
  6  3  1  0  0  0  0
  7  9  1  0  0  0  0
  8  5  1  0  0  0  0
  9  4  1  0  0  0  0
 10 15  1  0  0  0  0
 11  7  1  0  0  0  0
 12  1  2  0  0  0  0
 13  1  2  0  0  0  0
 14 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16  1  1  0  0  0  0
 17  7  1  0  0  0  0
 18 11  1  0  0  0  0
 19 10  2  0  0  0  0
 20 11  2  0  0  0  0
 21  6  1  0  0  0  0
 22  8  1  0  0  0  0
 23 22  1  0  0  0  0
 24 17  1  0  0  0  0
 25 24  1  0  0  0  0
 26 24  1  0  0  0  0
 14  9  1  0  0  0  0
  6  8  2  0  0  0  0
 23 21  1  0  0  0  0
M  END
>  <Mol_ID> (4,272)
4272

>  <Formula> (4,272)
C18H25NO5S2

>  <MolWeight> (4,272)
399.5248

>  <COMPOUND_NAME> (4,272)
WAY-648923

>  <BAR_CODE_NO> (4,272)
90483566

$$$$
WAY-648927
csChFnd80/06171916322D

 23 26  0  0  0  0  0  0  0  0999 V2000
    1.3667    0.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917    0.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9542    0.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083   -1.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5875   -2.0292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.6042    0.7833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667    1.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5875   -0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3708   -1.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3708   -0.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833   -1.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9542   -0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292   -0.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917    1.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292    0.7833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292   -2.0792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9542    2.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583   -2.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583   -0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6458   -1.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6042    2.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667    2.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917    2.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4 11  1  0  0  0  0
  5  4  1  0  0  0  0
  6  2  2  0  0  0  0
  7  3  1  0  0  0  0
  8  4  2  0  0  0  0
  9  5  1  0  0  0  0
 10  8  1  0  0  0  0
 11 13  1  0  0  0  0
 12  1  1  0  0  0  0
 13 12  1  0  0  0  0
 14  7  2  0  0  0  0
 15  3  2  0  0  0  0
 16 11  2  0  0  0  0
 17  7  1  0  0  0  0
 18  9  1  0  0  0  0
 19 10  1  0  0  0  0
 20 19  1  0  0  0  0
 21 14  1  0  0  0  0
 22 17  2  0  0  0  0
 23 22  1  0  0  0  0
 14  6  1  0  0  0  0
 23 21  2  0  0  0  0
  9 10  2  0  0  0  0
 20 18  1  0  0  0  0
M  END
>  <Mol_ID> (4,273)
4273

>  <Formula> (4,273)
C16H13N3O3S

>  <MolWeight> (4,273)
327.35772

>  <COMPOUND_NAME> (4,273)
WAY-648927

>  <BAR_CODE_NO> (4,273)
90483570

$$$$
WAY-648936
csChFnd80/06171916322D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -1.0828   -1.1371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1310   -0.8269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0828   -2.1372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9483   -0.6372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1793    0.1249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4586   -1.6371    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1310   -2.4441    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9483   -2.6372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8138   -1.1371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1552    0.3318    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4897    0.8663    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8138   -2.1372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4655    1.2836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4448    1.4905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7966    2.0284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7517    2.4422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1069    2.9767    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0828    3.1870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
  6  7  1  0  0  0  0
  9 12  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (4,274)
4274

>  <Formula> (4,274)
C13H10N4O

>  <MolWeight> (4,274)
238.2447

>  <COMPOUND_NAME> (4,274)
WAY-648936

>  <BAR_CODE_NO> (4,274)
90483579

$$$$
WAY-649001
csChFnd80/06171916322D

 30 34  0  0  0  0  0  0  0  0999 V2000
    1.4167    0.7958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8292    1.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6125    0.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292    1.7833    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2792    2.1208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542    0.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042   -1.9625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667   -0.6292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1875    1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833   -2.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9000    1.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6542    1.5958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292    2.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9000    2.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167   -2.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333   -1.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083   -2.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1875    3.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4500   -0.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042   -1.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3375   -1.7917    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542   -3.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6208    1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6208    3.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4875   -3.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333   -4.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3333    1.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3333    2.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1583   -3.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7 16  1  0  0  0  0
  8  6  1  0  0  0  0
  9  4  1  0  0  0  0
 10  7  1  0  0  0  0
 11  9  1  0  0  0  0
 12  2  2  0  0  0  0
 13  4  1  0  0  0  0
 14  3  2  0  0  0  0
 15 19  1  0  0  0  0
 16 21  1  0  0  0  0
 17 20  1  0  0  0  0
 18 10  2  0  0  0  0
 19 13  1  0  0  0  0
 20  8  1  0  0  0  0
 21  8  1  0  0  0  0
 22 18  1  0  0  0  0
 23 10  1  0  0  0  0
 24 11  1  0  0  0  0
 25 15  1  0  0  0  0
 26 18  1  0  0  0  0
 27 23  2  0  0  0  0
 28 24  2  0  0  0  0
 29 25  2  0  0  0  0
 30 27  1  0  0  0  0
  4  5  1  0  0  0  0
  7 17  1  0  0  0  0
 15 11  2  0  0  0  0
 28 29  1  0  0  0  0
 30 26  2  0  0  0  0
M  END
>  <Mol_ID> (4,275)
4275

>  <Formula> (4,275)
C23H25FN4O2

>  <MolWeight> (4,275)
408.4686032

>  <COMPOUND_NAME> (4,275)
WAY-649001

>  <BAR_CODE_NO> (4,275)
90483644

$$$$
WAY-649066
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    0.1667   -0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083   -0.8917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542    0.1583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6208   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667   -1.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6208   -1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292    0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5875   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0375   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542    0.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9333   -0.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5250    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0375    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7417    0.8333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5875    1.4708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2917   -0.8792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8750    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3458   -0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8750   -2.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9333    0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1708   -0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5833    0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3458    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1708    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  8  1  0  0  0  0
  4  1  2  0  0  0  0
  5  1  1  0  0  0  0
  6  5  2  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9  3  1  0  0  0  0
 10  3  1  0  0  0  0
 11  2  1  0  0  0  0
 12  9  1  0  0  0  0
 13 10  1  0  0  0  0
 14  7  2  0  0  0  0
 15 10  2  0  0  0  0
 16  9  2  0  0  0  0
 17  4  1  0  0  0  0
 18 11  1  0  0  0  0
 19  6  1  0  0  0  0
 20 18  1  0  0  0  0
 21 18  2  0  0  0  0
 22 21  1  0  0  0  0
 23 20  2  0  0  0  0
 24 22  2  0  0  0  0
  2  6  1  0  0  0  0
 13 12  1  0  0  0  0
 24 23  1  0  0  0  0
M  END
>  <Mol_ID> (4,276)
4276

>  <Formula> (4,276)
C19H20N2O3

>  <MolWeight> (4,276)
324.3737

>  <COMPOUND_NAME> (4,276)
WAY-649066

>  <BAR_CODE_NO> (4,276)
90483709

$$$$
WAY-649123
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
    0.0068    0.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0033   -0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7171    1.0345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7104    1.0414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7137   -0.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7139   -0.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4240    0.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4277    0.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4309   -0.1931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7137   -1.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7139   -1.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1413    1.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4311   -0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0070   -1.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8585    0.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1447    1.8621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1449   -0.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5758    1.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8620    2.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8553   -0.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1484   -1.4345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5758    1.8655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5725   -0.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8622   -1.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5794   -1.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
 10 14  2  0  0  0  0
 12 15  2  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  2  0  0  0  0
 17 20  2  0  0  0  0
 17 21  1  0  0  0  0
 18 22  2  0  0  0  0
 20 23  1  0  0  0  0
 21 24  2  0  0  0  0
 23 25  2  0  0  0  0
  7  9  2  0  0  0  0
 11 14  1  0  0  0  0
 19 22  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (4,277)
4277

>  <Formula> (4,277)
C21H18N4

>  <MolWeight> (4,277)
326.39442

>  <COMPOUND_NAME> (4,277)
WAY-649123

>  <BAR_CODE_NO> (4,277)
90483767

$$$$
WAY-649240
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
    0.5167    0.5333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958   -0.7042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167   -1.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167    0.3750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7708   -1.1167    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.0167   -0.9625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042   -0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083   -1.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167    1.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0500   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083    0.5333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167   -1.9417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4833   -0.7042    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.7708   -1.9417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3375   -1.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6208   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    1.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2750   -1.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0500    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3375    0.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6208    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9500    1.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    2.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0792   -1.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9500    3.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6667    1.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6667    2.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  5  1  0  0  0  0
  4  2  2  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8 13  1  0  0  0  0
  9  4  1  0  0  0  0
 10  7  2  0  0  0  0
 11  3  1  0  0  0  0
 12  1  1  0  0  0  0
 13 18  1  0  0  0  0
 14  5  2  0  0  0  0
 15  6  2  0  0  0  0
 16  8  1  0  0  0  0
 17  8  2  0  0  0  0
 18 19  2  0  0  0  0
 19 11  1  0  0  0  0
 20 12  1  0  0  0  0
 21  9  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 19  1  0  0  0  0
 25 20  1  0  0  0  0
 26 20  2  0  0  0  0
 27 21  1  0  0  0  0
 28 26  1  0  0  0  0
 29 25  2  0  0  0  0
 30 28  2  0  0  0  0
  4  6  1  0  0  0  0
 10  9  1  0  0  0  0
 30 29  1  0  0  0  0
 22 13  2  0  0  0  0
M  END
>  <Mol_ID> (4,278)
4278

>  <Formula> (4,278)
C21H19N5O4

>  <MolWeight> (4,278)
405.40666

>  <COMPOUND_NAME> (4,278)
WAY-649240

>  <BAR_CODE_NO> (4,278)
90483884

$$$$
WAY-649270
csChFnd80/06171916322D

 33 37  0  0  0  0  0  0  0  0999 V2000
   -0.5375    0.4333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583    1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5375    1.7708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3250    0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3250    1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8375   -0.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4167    2.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667    1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833   -1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333   -3.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1333   -2.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833   -3.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2375   -3.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042    3.2458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6458   -0.7917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2417    2.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042    1.8208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4958   -2.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1792    1.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9375   -2.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0375    0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0375    1.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458   -4.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0958   -4.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6500   -4.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6542    3.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6542    1.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7500    0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7500    1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4792    1.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4792    3.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8917    2.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  7  1  0  0  0  0
  7  1  1  0  0  0  0
  8 18  1  0  0  0  0
  9  2  1  0  0  0  0
 10  6  1  0  0  0  0
 11 13  1  0  0  0  0
 12 10  1  0  0  0  0
 13 12  2  0  0  0  0
 14 19  1  0  0  0  0
 15  8  2  0  0  0  0
 16  6  2  0  0  0  0
 17  8  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20  9  1  0  0  0  0
 21 12  1  0  0  0  0
 22  4  1  0  0  0  0
 23  5  1  0  0  0  0
 24 11  1  0  0  0  0
 25 24  1  0  0  0  0
 26 14  1  0  0  0  0
 27 17  2  0  0  0  0
 28 17  1  0  0  0  0
 29 22  2  0  0  0  0
 30 29  1  0  0  0  0
 31 28  2  0  0  0  0
 32 27  1  0  0  0  0
 33 31  1  0  0  0  0
  5  3  1  0  0  0  0
 30 23  2  0  0  0  0
 14 11  2  0  0  0  0
 25 26  1  0  0  0  0
 33 32  2  0  0  0  0
M  END
>  <Mol_ID> (4,279)
4279

>  <Formula> (4,279)
C27H26N4O2

>  <MolWeight> (4,279)
438.52094

>  <COMPOUND_NAME> (4,279)
WAY-649270

>  <BAR_CODE_NO> (4,279)
90483914

$$$$
WL-137780
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.2752   -0.4734    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8766    0.1749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4372    0.1749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2752   -1.7907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0248   -0.4734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8766    1.5093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5959   -0.4734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4372    1.5093    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4372   -2.4734    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8800   -2.4286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1800    0.1749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0248    2.1714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5959   -1.7907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7372    0.1749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1800    1.5093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7372   -2.4734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8959   -0.4734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3766    2.1887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8959   -1.7907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5248    1.5266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3766    3.5266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  2  0  0  0  0
  7 14  1  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  2  0  0  0  0
 18 20  1  0  0  0  0
 18 21  2  0  0  0  0
  9 13  1  0  0  0  0
 12 15  2  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (4,280)
4280

>  <Formula> (4,280)
C16H12N2O3

>  <MolWeight> (4,280)
280.27808

>  <COMPOUND_NAME> (4,280)
WL-137780

>  <BAR_CODE_NO> (4,280)
90481982

$$$$
WL-231041
csChFnd80/06171916322D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -1.4755    0.1136    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7651    1.3343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5237   -0.9347    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8962    0.1136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6349    1.0239    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4548    2.5722    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7659   -0.3554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6065    1.3653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6065   -1.0864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8962    2.5722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9935   -1.0554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5858    3.8343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2245   -0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0142   -2.4761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4452   -1.0450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2556   -3.1761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4763   -2.4554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
  5  7  1  0  0  0  0
  8 10  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (4,281)
4281

>  <Formula> (4,281)
C13H12N4

>  <MolWeight> (4,281)
224.26118

>  <COMPOUND_NAME> (4,281)
WL-231041

>  <BAR_CODE_NO> (4,281)
90463056

$$$$
WL-300778
csChFnd80/06171916322D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -0.6276    0.1886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7931    0.0437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5793   -0.8667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3517    1.4299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3828   -1.2564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6379    1.2127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8966   -0.2943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7483    1.1265    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8103   -1.3978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0655    1.0610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1379   -1.0150    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6517   -0.2322    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  9 12  2  0  0  0  0
  7  8  1  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <Mol_ID> (4,282)
4282

>  <Formula> (4,282)
C8H7N3S

>  <MolWeight> (4,282)
177.22628

>  <COMPOUND_NAME> (4,282)
WL-300778

>  <BAR_CODE_NO> (4,282)
90446283

$$$$
CL-104773
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -3.7593   -0.6475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7783    0.8524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4510   -1.3810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0488   -1.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4888    1.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0867    1.5860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1615   -0.6147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3572   -0.6802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1804    0.8852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3761    0.8197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1469   -1.3483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4364   -0.5819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7448   -1.3155    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4175    0.9179    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0343   -0.5492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0154    0.9507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3427   -1.2827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3048    1.7170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6321   -0.5164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6132    0.9835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (4,283)
4283

>  <Formula> (4,283)
C17H14N2O

>  <MolWeight> (4,283)
262.30586

>  <COMPOUND_NAME> (4,283)
CL-104773

>  <BAR_CODE_NO> (4,283)
90486158

$$$$
CL-224747
csChFnd80/06171916322D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -0.0408   -0.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0408    0.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2075   -0.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2925   -0.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2075    0.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2925    0.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4489   -0.1414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2075   -0.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5304   -0.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4489    0.1414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2075    0.5690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5304    0.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
  7 10  1  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <Mol_ID> (4,284)
4284

>  <Formula> (4,284)
C9H8N2O

>  <MolWeight> (4,284)
160.17262

>  <COMPOUND_NAME> (4,284)
CL-224747

>  <BAR_CODE_NO> (4,284)
90447731

$$$$
CL-278184
csChFnd80/06171916322D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.0987   -0.7220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2151   -0.3047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0987   -2.2427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2504   -0.0220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6013    1.0780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0944   -1.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2392   -2.6806    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2573   -2.9116    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5297   -0.7220    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    1.4263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5979    2.1021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9910    1.4297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5297   -2.1841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7504   -0.0082    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9875    3.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3806    2.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7573   -2.8806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3772    3.8401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
  8 13  2  0  0  0  0
  9 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 15 18  1  0  0  0  0
  6  7  1  0  0  0  0
  9 13  1  0  0  0  0
 16 18  2  0  0  0  0
M  END
>  <Mol_ID> (4,285)
4285

>  <Formula> (4,285)
C13H11N3OS

>  <MolWeight> (4,285)
257.31094

>  <COMPOUND_NAME> (4,285)
CL-278184

>  <BAR_CODE_NO> (4,285)
90448210

$$$$
GI-505752
csChFnd80/06171916322D

 19 20  0  0  0  0  0  0  0  0999 V2000
    2.2314   -0.2920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4901   -0.7230    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9763   -0.7230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2314    0.5632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7452   -0.2920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7211   -0.2920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9763    0.9942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0004   -0.7230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7452    0.5632    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7211    0.5632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7444   -0.2920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4893   -0.7230    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7444    0.5632    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2306   -0.2920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2306    0.5632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9755   -0.7230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9755    0.9942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7237   -0.2920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7237    0.5632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
  7 10  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (4,286)
4286

>  <Formula> (4,286)
C15H26N2O2

>  <MolWeight> (4,286)
266.37914

>  <COMPOUND_NAME> (4,286)
GI-505752

>  <BAR_CODE_NO> (4,286)
90464704

$$$$
WAY-106577
csChFnd80/06171916322D

 14 15  0  0  0  0  0  0  0  0999 V2000
    1.9987   -2.2772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9987   -0.7276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7591   -3.1845    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2428   -3.1889    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6602    0.0449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2217   -4.6711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7353   -4.6801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6602    1.5900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6782    2.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6782    3.9076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0167    1.5900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0167    4.6801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3551    2.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3551    3.9076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  2  0  0  0  0
  6  7  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (4,287)
4287

>  <Formula> (4,287)
C11H14N2S

>  <MolWeight> (4,287)
206.30726

>  <COMPOUND_NAME> (4,287)
WAY-106577

>  <BAR_CODE_NO> (4,287)
90447058

$$$$
WAY-211897
csChFnd80/06171916322D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.5560    0.8861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3393    1.1444    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3018    0.0944    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5315    0.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1107    1.3694    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0060    0.6611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7857    0.8861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0190   -0.5681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0060   -0.1639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8357   -0.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6815   -1.3181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5935    1.9319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9815   -1.9056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1565   -1.9889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3190   -1.1514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4690   -2.5681    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.6685    1.1444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4185    1.9319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  5  1  0  0  0  0
  8  4  1  0  0  0  0
  9  6  2  0  0  0  0
 10  8  2  0  0  0  0
 11  8  1  0  0  0  0
 12  2  1  0  0  0  0
 13 14  1  0  0  0  0
 14 11  2  0  0  0  0
 15 10  1  0  0  0  0
 16 13  1  0  0  0  0
 17  6  1  0  0  0  0
 18 12  1  0  0  0  0
  4  7  2  0  0  0  0
 18 17  1  0  0  0  0
 13 15  2  0  0  0  0
M  END
>  <Mol_ID> (4,288)
4288

>  <Formula> (4,288)
C13H11BrN2OS

>  <MolWeight> (4,288)
323.20824

>  <COMPOUND_NAME> (4,288)
WAY-211897

>  <BAR_CODE_NO> (4,288)
90448635

$$$$
WAY-229990
csChFnd80/06171916322D

 18 21  0  0  0  0  0  0  0  0999 V2000
   -0.9864   -0.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4416   -0.9207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0140   -1.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4312    1.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3899   -2.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9554   -0.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4998   -1.4138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9243   -2.9310    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0826    1.2621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4795    2.2862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8278   -3.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8140   -1.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1067    0.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4377    2.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6239    0.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7653    3.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5826    1.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1653    2.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  2  0  0  0  0
  9 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
  5  8  1  0  0  0  0
  9 13  1  0  0  0  0
 11 12  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (4,289)
4289

>  <Formula> (4,289)
C14H16N2OS

>  <MolWeight> (4,289)
260.35464

>  <COMPOUND_NAME> (4,289)
WAY-229990

>  <BAR_CODE_NO> (4,289)
90447741

$$$$
WAY-268997
csChFnd80/06171916322D

 32 35  0  0  0  0  0  0  0  0999 V2000
   -0.5250    0.9333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1000    1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8208    2.1083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708    2.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5333    2.5958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6625    1.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3833    1.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2583    2.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8333    2.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8083    1.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0833    1.3833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6792    1.7208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0917    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8125    1.0583    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458    0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    1.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3833    1.6250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7083    3.5958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5750    2.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3792    1.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042    0.5125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000   -0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0917   -0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5708   -1.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792   -0.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208   -0.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9667    1.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1625    2.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5708   -2.0667    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.8542    2.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4417    3.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  2  0  0  0  0
  6  7  1  0  0  0  0
  7 12  1  0  0  0  0
  8 11  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11  2  1  0  0  0  0
 12  8  1  0  0  0  0
 13 14  1  0  0  0  0
 14 17  1  0  0  0  0
 15  3  1  0  0  0  0
 16  1  1  0  0  0  0
 17 15  1  0  0  0  0
 18  7  2  0  0  0  0
 19 10  2  0  0  0  0
 20 13  1  0  0  0  0
 21 13  1  0  0  0  0
 22 14  2  0  0  0  0
 23 16  2  0  0  0  0
 24 16  1  0  0  0  0
 25 26  1  0  0  0  0
 26 24  2  0  0  0  0
 27 23  1  0  0  0  0
 28 21  1  0  0  0  0
 29 20  1  0  0  0  0
 30 25  1  0  0  0  0
 31 28  1  0  0  0  0
 32 31  1  0  0  0  0
  4  5  1  0  0  0  0
 25 27  2  0  0  0  0
  6 10  1  0  0  0  0
 31 29  1  0  0  0  0
M  END
>  <Mol_ID> (4,290)
4290

>  <Formula> (4,290)
C21H23ClN6O3S

>  <MolWeight> (4,290)
474.96372

>  <COMPOUND_NAME> (4,290)
WAY-268997

>  <BAR_CODE_NO> (4,290)
394866

$$$$
WAY-269040
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -3.1958    2.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208    1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9250    2.6833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7083    1.5958    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0208    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7125    2.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1375    1.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458    2.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583    2.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4250    1.5333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4375    2.9625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667    2.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2583    1.5208    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.9750    3.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0083    0.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6708    2.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5875    1.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792    2.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6583    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4208    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4917    2.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4042    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4125    1.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2458    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8250    2.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  2  0  0  0  0
  7  2  2  0  0  0  0
  8  3  1  0  0  0  0
  9  8  2  0  0  0  0
 10  5  1  0  0  0  0
 11  5  2  0  0  0  0
 12  9  1  0  0  0  0
 13 10  1  0  0  0  0
 14  6  1  0  0  0  0
 15 10  1  0  0  0  0
 16 13  1  0  0  0  0
 17 12  2  0  0  0  0
 18 12  1  0  0  0  0
 19 13  1  0  0  0  0
 20 15  1  0  0  0  0
 21 16  1  0  0  0  0
 22 18  2  0  0  0  0
 23 17  1  0  0  0  0
 24 20  1  0  0  0  0
 25 22  1  0  0  0  0
  2  3  1  0  0  0  0
  9  7  1  0  0  0  0
 24 19  1  0  0  0  0
 23 25  2  0  0  0  0
M  END
>  <Mol_ID> (4,291)
4291

>  <Formula> (4,291)
C20H23N3OS

>  <MolWeight> (4,291)
353.48112

>  <COMPOUND_NAME> (4,291)
WAY-269040

>  <BAR_CODE_NO> (4,291)
394909

$$$$
WAY-269041
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -3.1958    2.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208    1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9250    2.6833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7083    1.5958    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7125    2.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1375    1.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0208    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458    2.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583    2.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4250    1.5333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6583    0.8000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -5.2500    1.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4792    0.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4375    2.9625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667    2.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8875    0.0708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0083    0.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9750    3.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8917    1.5083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2458    0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4208    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792    2.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5875    1.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7292    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1292    2.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4042    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4125    1.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8250    2.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  2  0  0  0  0
  6  2  2  0  0  0  0
  7  1  1  0  0  0  0
  8  3  1  0  0  0  0
  9  8  2  0  0  0  0
 10  7  1  0  0  0  0
 11 12  1  0  0  0  0
 12 10  1  0  0  0  0
 13 11  1  0  0  0  0
 14  7  2  0  0  0  0
 15  9  1  0  0  0  0
 16 13  2  0  0  0  0
 17 10  1  0  0  0  0
 18  5  1  0  0  0  0
 19 13  1  0  0  0  0
 20 21  1  0  0  0  0
 21 17  1  0  0  0  0
 22 15  1  0  0  0  0
 23 15  2  0  0  0  0
 24 19  1  0  0  0  0
 25 24  1  0  0  0  0
 26 22  2  0  0  0  0
 27 23  1  0  0  0  0
 28 27  2  0  0  0  0
  2  3  1  0  0  0  0
  9  6  1  0  0  0  0
 11 20  1  0  0  0  0
 28 26  1  0  0  0  0
M  END
>  <Mol_ID> (4,292)
4292

>  <Formula> (4,292)
C21H23N3O3S

>  <MolWeight> (4,292)
397.49062

>  <COMPOUND_NAME> (4,292)
WAY-269041

>  <BAR_CODE_NO> (4,292)
394910

$$$$
WAY-269080
csChFnd80/06171916322D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -3.1958    2.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208    1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9250    2.6833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7083    1.5958    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7125    2.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1375    1.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0208    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458    2.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583    2.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4250    1.5333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667    2.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4375    2.9625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917    1.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5875    2.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9750    3.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8250    2.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167    1.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4125    2.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6417    2.2875    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0083    0.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500    1.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4125    0.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6583    0.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2333    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  2  0  0  0  0
  6  2  2  0  0  0  0
  7  1  1  0  0  0  0
  8  3  1  0  0  0  0
  9  8  2  0  0  0  0
 10  7  1  0  0  0  0
 11  9  1  0  0  0  0
 12  7  2  0  0  0  0
 13 11  2  0  0  0  0
 14 11  1  0  0  0  0
 15  5  1  0  0  0  0
 16 18  1  0  0  0  0
 17 13  1  0  0  0  0
 18 14  2  0  0  0  0
 19 16  1  0  0  0  0
 20 10  1  0  0  0  0
 21 10  1  0  0  0  0
 22 20  1  0  0  0  0
 23 21  1  0  0  0  0
 24 23  1  0  0  0  0
  2  3  1  0  0  0  0
  9  6  1  0  0  0  0
 24 22  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (4,293)
4293

>  <Formula> (4,293)
C18H18FN3OS

>  <MolWeight> (4,293)
343.4184232

>  <COMPOUND_NAME> (4,293)
WAY-269080

>  <BAR_CODE_NO> (4,293)
394949

$$$$
WAY-269094
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -1.9208    1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1958    2.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9250    2.6833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7083    1.5958    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1375    1.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7125    2.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458    2.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583    2.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0208    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4250    1.5333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667    2.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4375    2.9625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0083    0.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5875    2.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917    1.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9750    3.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8250    2.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4125    2.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167    1.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6417    2.2875    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2958    1.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7250    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5833    0.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  2  0  0  0  0
  6  3  1  0  0  0  0
  7  3  1  0  0  0  0
  8  5  1  0  0  0  0
  9  2  1  0  0  0  0
 10  9  1  0  0  0  0
 11  8  1  0  0  0  0
 12  9  2  0  0  0  0
 13 10  1  0  0  0  0
 14 11  1  0  0  0  0
 15 11  2  0  0  0  0
 16  6  1  0  0  0  0
 17 19  2  0  0  0  0
 18 14  2  0  0  0  0
 19 15  1  0  0  0  0
 20 17  1  0  0  0  0
 21 13  1  0  0  0  0
 22 13  1  0  0  0  0
 23 13  1  0  0  0  0
  7  8  2  0  0  0  0
  2  6  2  0  0  0  0
 18 17  1  0  0  0  0
M  END
>  <Mol_ID> (4,294)
4294

>  <Formula> (4,294)
C17H18FN3OS

>  <MolWeight> (4,294)
331.4077232

>  <COMPOUND_NAME> (4,294)
WAY-269094

>  <BAR_CODE_NO> (4,294)
394963

$$$$
WAY-274364
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
    2.0917    4.0125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8792    4.2625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4583    3.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1250    3.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6708    3.5708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7125    2.5250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5375    2.5250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7958    3.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0583    3.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042    3.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3417    3.2333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8375    4.8125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708    3.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4875    3.7208    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.2208    2.2208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1250    2.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6917    4.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3375    2.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0958    4.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0542    5.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    3.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1958    3.0250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.3042    2.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2750    3.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0208    2.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8417    5.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4542    4.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  5  1  0  0  0  0
  4  3  1  0  0  0  0
  5  9  1  0  0  0  0
  6  3  2  0  0  0  0
  7  6  1  0  0  0  0
  8  4  1  0  0  0  0
  9 13  1  0  0  0  0
 10  1  1  0  0  0  0
 11  1  2  0  0  0  0
 12  1  2  0  0  0  0
 13 19  1  0  0  0  0
 14  2  1  0  0  0  0
 15  9  2  0  0  0  0
 16 10  2  0  0  0  0
 17 10  1  0  0  0  0
 18 16  1  0  0  0  0
 19 17  2  0  0  0  0
 20  2  1  0  0  0  0
 21  8  1  0  0  0  0
 22 21  1  0  0  0  0
 23 14  1  0  0  0  0
 24 14  1  0  0  0  0
 25 22  1  0  0  0  0
 26 20  1  0  0  0  0
 27 26  1  0  0  0  0
 18 13  2  0  0  0  0
 27 24  1  0  0  0  0
  7  8  2  0  0  0  0
M  END
>  <Mol_ID> (4,295)
4295

>  <Formula> (4,295)
C17H22N4O4S2

>  <MolWeight> (4,295)
410.51098

>  <COMPOUND_NAME> (4,295)
WAY-274364

>  <BAR_CODE_NO> (4,295)
392309

$$$$
WAY-274406
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.9584    0.2381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0964    0.1347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2101   -0.6170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3826    1.2174    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5722   -0.9032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7550    1.0657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1584   -0.1688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2688    0.9657    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7101   -1.0067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8895    0.9588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8174   -0.7515    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.3653   -0.0757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8105   -0.1964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5032   -0.1826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7899   -0.7826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7864   -0.2170    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7761   -1.9170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7968    0.9174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7657   -0.8032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7933    1.4761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7623   -0.2446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7726    0.8933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
  7  8  2  0  0  0  0
 10 12  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (4,296)
4296

>  <Formula> (4,296)
C15H17N3O3S

>  <MolWeight> (4,296)
319.37878

>  <COMPOUND_NAME> (4,296)
WAY-274406

>  <BAR_CODE_NO> (4,296)
392351

$$$$
WAY-274439
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -3.4750    3.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2208    3.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5458    2.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3458    2.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0000    1.9750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2583   -0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5500    0.0583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208   -0.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208    0.1458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0958   -0.5417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000   -1.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5958    3.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9583    0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6708    1.9875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2208    4.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3333    1.3083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6250    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5958    5.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2208    5.7667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3458    3.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7208    4.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333   -1.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3458    5.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5958    6.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  9  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
  9 13  1  0  0  0  0
 10  7  1  0  0  0  0
 11  8  2  0  0  0  0
 12  2  1  0  0  0  0
 13 17  1  0  0  0  0
 14  4  1  0  0  0  0
 15 12  2  0  0  0  0
 16 13  2  0  0  0  0
 17 14  1  0  0  0  0
 18 15  1  0  0  0  0
 19 18  1  0  0  0  0
 20 12  1  0  0  0  0
 21 20  2  0  0  0  0
 22 11  1  0  0  0  0
 23 21  1  0  0  0  0
 24 19  1  0  0  0  0
  5  3  1  0  0  0  0
 23 18  2  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <Mol_ID> (4,297)
4297

>  <Formula> (4,297)
C15H14N4O4S

>  <MolWeight> (4,297)
346.36106

>  <COMPOUND_NAME> (4,297)
WAY-274439

>  <BAR_CODE_NO> (4,297)
392384

$$$$
WAY-274482
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -3.4750    3.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2208    3.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5458    2.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3458    2.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0000    1.9750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2583   -0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5500    0.0583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208   -0.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208    0.1458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0958   -0.5417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000   -1.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9583    0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5958    3.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6708    1.9875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3333    1.3083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3458    3.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2208    4.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6250    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3458    5.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5958    5.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7208    4.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7208    5.7667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333   -1.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3458    6.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7208    7.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  9  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
  9 12  1  0  0  0  0
 10  7  1  0  0  0  0
 11  8  2  0  0  0  0
 12 18  1  0  0  0  0
 13  2  1  0  0  0  0
 14  4  1  0  0  0  0
 15 12  2  0  0  0  0
 16 13  1  0  0  0  0
 17 13  2  0  0  0  0
 18 14  1  0  0  0  0
 19 20  2  0  0  0  0
 20 17  1  0  0  0  0
 21 16  2  0  0  0  0
 22 19  1  0  0  0  0
 23 11  1  0  0  0  0
 24 22  1  0  0  0  0
 25 24  1  0  0  0  0
  5  3  1  0  0  0  0
 21 19  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <Mol_ID> (4,298)
4298

>  <Formula> (4,298)
C16H16N4O4S

>  <MolWeight> (4,298)
360.38764

>  <COMPOUND_NAME> (4,298)
WAY-274482

>  <BAR_CODE_NO> (4,298)
392427

$$$$
WAY-274501
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -4.2208    3.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4750    3.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5458    2.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3458    2.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0000    1.9750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5958    3.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208    0.1458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9583    0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6708    1.9875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2208    4.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6250    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3333    1.3083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8583   -1.3542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4708    4.4667    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -5.3458    3.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5500   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2583   -0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208   -0.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5208   -1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5958    5.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7208    4.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3458    5.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  8  1  0  0  0  0
  8 11  1  0  0  0  0
  9  4  1  0  0  0  0
 10  6  2  0  0  0  0
 11  9  1  0  0  0  0
 12  8  2  0  0  0  0
 13 18  1  0  0  0  0
 14 10  1  0  0  0  0
 15  6  1  0  0  0  0
 16  7  1  0  0  0  0
 17  7  1  0  0  0  0
 18 17  1  0  0  0  0
 19 16  1  0  0  0  0
 20 10  1  0  0  0  0
 21 15  2  0  0  0  0
 22 21  1  0  0  0  0
  4  5  2  0  0  0  0
 22 20  2  0  0  0  0
 19 13  1  0  0  0  0
M  END
>  <Mol_ID> (4,299)
4299

>  <Formula> (4,299)
C14H14ClN3O3S

>  <MolWeight> (4,299)
339.79726

>  <COMPOUND_NAME> (4,299)
WAY-274501

>  <BAR_CODE_NO> (4,299)
392446

$$$$
WAY-274537
csChFnd80/06171916322D

 28 30  0  0  0  0  0  0  0  0999 V2000
   -3.3333    3.3708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0708    3.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2208    2.5583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0250    2.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5708    2.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958   -0.5167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833   -1.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1333    0.9083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458    1.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5958    3.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3125    3.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2958    2.5083    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8458    4.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833    0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4208   -0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4000    0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6375    0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417   -1.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0708    1.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6458    4.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8333    2.1708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3958    4.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9208    5.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958   -1.7917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5667    3.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1875    5.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208   -1.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2250   -2.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6 15  1  0  0  0  0
  7  6  1  0  0  0  0
  8  9  1  0  0  0  0
  9 19  1  0  0  0  0
 10  2  1  0  0  0  0
 11 10  1  0  0  0  0
 12  4  1  0  0  0  0
 13 11  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16  8  1  0  0  0  0
 17  8  1  0  0  0  0
 18  7  2  0  0  0  0
 19 12  1  0  0  0  0
 20 23  2  0  0  0  0
 21  9  2  0  0  0  0
 22 10  2  0  0  0  0
 23 22  1  0  0  0  0
 24  7  1  0  0  0  0
 25 13  1  0  0  0  0
 26 20  1  0  0  0  0
 27 24  1  0  0  0  0
 28 27  1  0  0  0  0
  5  3  1  0  0  0  0
 20 13  1  0  0  0  0
  6 14  1  0  0  0  0
M  END
>  <Mol_ID> (4,300)
4300

>  <Formula> (4,300)
C19H24N4O4S

>  <MolWeight> (4,300)
404.48326

>  <COMPOUND_NAME> (4,300)
WAY-274537

>  <BAR_CODE_NO> (4,300)
392482

$$$$
WAY-274557
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
    5.5667   -7.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9042   -7.6125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3042   -6.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4792   -6.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3792   -7.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2292   -7.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9292   -6.6667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7167   -9.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1750   -9.6417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8542   -5.7167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5292   -9.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3625   -9.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6417   -8.0667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.6667   -5.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8042  -10.0917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0792   -8.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1000   -8.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9250   -5.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4542   -8.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4167   -7.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0125   -7.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7917   -9.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8250   -7.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8875   -8.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1167   -5.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8625   -6.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  5  2  0  0  0  0
  8  9  1  0  0  0  0
  9 12  1  0  0  0  0
 10  3  1  0  0  0  0
 11  8  2  0  0  0  0
 12 17  1  0  0  0  0
 13  5  1  0  0  0  0
 14  7  1  0  0  0  0
 15 12  2  0  0  0  0
 16 11  1  0  0  0  0
 17 13  1  0  0  0  0
 18  4  1  0  0  0  0
 19  8  1  0  0  0  0
 20  6  1  0  0  0  0
 21 19  2  0  0  0  0
 22 11  1  0  0  0  0
 23 21  1  0  0  0  0
 24 16  1  0  0  0  0
 25 18  2  0  0  0  0
 26 20  2  0  0  0  0
  4  6  2  0  0  0  0
 10 14  2  0  0  0  0
 26 25  1  0  0  0  0
 16 23  2  0  0  0  0
M  END
>  <Mol_ID> (4,301)
4301

>  <Formula> (4,301)
C20H17N3O2S

>  <MolWeight> (4,301)
363.43288

>  <COMPOUND_NAME> (4,301)
WAY-274557

>  <BAR_CODE_NO> (4,301)
392502

$$$$
WAY-274579
csChFnd80/06171916322D

 22 25  0  0  0  0  0  0  0  0999 V2000
   -2.0125    2.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6125    1.9625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500    3.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9958    3.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2833    2.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2250    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833    2.8208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7500    3.6750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0375    1.5458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2958    0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208    3.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5333    0.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7958   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5333   -0.1292    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5000    3.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9583    2.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5625    0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5625   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2333    3.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4583    2.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3250   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8333   -1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  5  2  0  0  0  0
  8  3  1  0  0  0  0
  9  5  1  0  0  0  0
 10 12  1  0  0  0  0
 11  7  1  0  0  0  0
 12  9  1  0  0  0  0
 13 10  2  0  0  0  0
 14 13  1  0  0  0  0
 15  4  1  0  0  0  0
 16  6  1  0  0  0  0
 17 10  1  0  0  0  0
 18 13  1  0  0  0  0
 19 15  2  0  0  0  0
 20 16  2  0  0  0  0
 21 17  2  0  0  0  0
 22 21  1  0  0  0  0
  6  4  2  0  0  0  0
 11  8  2  0  0  0  0
 19 20  1  0  0  0  0
 18 22  2  0  0  0  0
M  END
>  <Mol_ID> (4,302)
4302

>  <Formula> (4,302)
C17H11FN2OS

>  <MolWeight> (4,302)
310.3454432

>  <COMPOUND_NAME> (4,302)
WAY-274579

>  <BAR_CODE_NO> (4,302)
392524

$$$$
WAY-274843
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    4.2542   -8.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0792   -8.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -9.6875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3375   -9.6875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6667  -10.1667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7750   -8.2292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5667   -8.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8667   -7.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6917   -7.7292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5292   -6.8917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8042   -6.8917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3875   -8.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1750   -7.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1125   -7.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9542   -8.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4667   -7.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6292   -6.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9917   -7.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8375   -6.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3167   -5.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4792   -6.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1417   -5.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8 12  1  0  0  0  0
  9  8  1  0  0  0  0
 10  8  2  0  0  0  0
 11 16  1  0  0  0  0
 12  7  1  0  0  0  0
 13  9  1  0  0  0  0
 14  6  1  0  0  0  0
 15  6  1  0  0  0  0
 16 15  1  0  0  0  0
 17 14  1  0  0  0  0
 18 13  2  0  0  0  0
 19 13  1  0  0  0  0
 20 19  2  0  0  0  0
 21 18  1  0  0  0  0
 22 20  1  0  0  0  0
  5  4  1  0  0  0  0
 17 11  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (4,303)
4303

>  <Formula> (4,303)
C14H16N4O3S

>  <MolWeight> (4,303)
320.36684

>  <COMPOUND_NAME> (4,303)
WAY-274843

>  <BAR_CODE_NO> (4,303)
392788

$$$$
WAY-274860
csChFnd80/06171916322D

 30 32  0  0  0  0  0  0  0  0999 V2000
   -2.1583    2.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4083    1.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7375    1.0708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5458    3.0708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0750    1.5583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3333    2.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1958    1.2875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9875    1.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2125    2.5833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8750    3.5583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9208    3.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2083    2.3083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    0.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583    3.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3625    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9625   -1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7833   -2.2917    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3708   -0.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7375   -1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9583   -0.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5708   -0.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5583    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7458    3.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4708    4.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8458    5.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1208    4.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6708    5.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  3  1  0  0  0  0
 10  4  2  0  0  0  0
 11  4  2  0  0  0  0
 12  4  1  0  0  0  0
 13  8  2  0  0  0  0
 14  8  1  0  0  0  0
 15  6  1  0  0  0  0
 16 14  1  0  0  0  0
 17 19  1  0  0  0  0
 18 17  1  0  0  0  0
 19 22  2  0  0  0  0
 20 21  1  0  0  0  0
 21 16  2  0  0  0  0
 22 16  1  0  0  0  0
 23  9  1  0  0  0  0
 24  9  1  0  0  0  0
 25  9  1  0  0  0  0
 26 12  2  0  0  0  0
 27 12  1  0  0  0  0
 28 27  2  0  0  0  0
 29 26  1  0  0  0  0
 30 28  1  0  0  0  0
  3  5  1  0  0  0  0
 30 29  2  0  0  0  0
 20 17  2  0  0  0  0
M  END
>  <Mol_ID> (4,304)
4304

>  <Formula> (4,304)
C22H23FN2O4S

>  <MolWeight> (4,304)
430.4924232

>  <COMPOUND_NAME> (4,304)
WAY-274860

>  <BAR_CODE_NO> (4,304)
392805

$$$$
WAY-274921
csChFnd80/06171916322D

 28 30  0  0  0  0  0  0  0  0999 V2000
   -2.1583    2.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4083    1.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5458    3.0708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7375    1.0708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0750    1.5583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3333    2.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1958    1.2875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9875    1.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8750    3.5583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2125    2.5833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9208    3.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2083    2.3083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    0.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583    3.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3625    0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7458    3.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4708    4.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9583   -0.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5708   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8458    5.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1208    4.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0125   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6708    5.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333   -1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  3  2  0  0  0  0
 10  3  2  0  0  0  0
 11  3  1  0  0  0  0
 12  4  1  0  0  0  0
 13  8  2  0  0  0  0
 14  8  1  0  0  0  0
 15  6  1  0  0  0  0
 16 14  1  0  0  0  0
 17 11  2  0  0  0  0
 18 11  1  0  0  0  0
 19 12  1  0  0  0  0
 20 12  2  0  0  0  0
 21 16  1  0  0  0  0
 22 16  1  0  0  0  0
 23 18  2  0  0  0  0
 24 17  1  0  0  0  0
 25 20  1  0  0  0  0
 26 19  2  0  0  0  0
 27 23  1  0  0  0  0
 28 25  2  0  0  0  0
  4  5  1  0  0  0  0
 27 24  2  0  0  0  0
 26 28  1  0  0  0  0
M  END
>  <Mol_ID> (4,305)
4305

>  <Formula> (4,305)
C21H22N2O4S

>  <MolWeight> (4,305)
398.47538

>  <COMPOUND_NAME> (4,305)
WAY-274921

>  <BAR_CODE_NO> (4,305)
392866

$$$$
WAY-274954
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -3.7958    3.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4583    3.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1250    2.5333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5375    3.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6750    2.7583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7250    1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7125    3.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    2.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5500    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1083    2.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375    0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8333    1.9750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1208    1.3958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2583    3.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6583    1.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9208    2.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833    0.3333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6417    0.9208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9583    0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8167    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  6  1  0  0  0  0
  6  2  1  0  0  0  0
  7  5  1  0  0  0  0
  8  4  1  0  0  0  0
  9  1  1  0  0  0  0
 10  7  2  0  0  0  0
 11  7  1  0  0  0  0
 12 10  1  0  0  0  0
 13  9  1  0  0  0  0
 14  5  2  0  0  0  0
 15  9  2  0  0  0  0
 16 13  1  0  0  0  0
 17 15  1  0  0  0  0
 18 19  1  0  0  0  0
 19 11  2  0  0  0  0
 20 10  1  0  0  0  0
 21 18  1  0  0  0  0
 22 20  1  0  0  0  0
 23 21  1  0  0  0  0
  8  2  2  0  0  0  0
 16 17  2  0  0  0  0
 18 12  2  0  0  0  0
M  END
>  <Mol_ID> (4,306)
4306

>  <Formula> (4,306)
C15H13N3O5

>  <MolWeight> (4,306)
315.28082

>  <COMPOUND_NAME> (4,306)
WAY-274954

>  <BAR_CODE_NO> (4,306)
392899

$$$$
WAY-275074
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -1.7250    2.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    2.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083    2.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083    3.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7250    3.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4375    3.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5667    3.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8500    3.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6542    4.6167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958    2.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708    2.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3042    3.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    3.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8500    2.5625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4750    4.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8750    4.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1375    3.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708    3.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958    3.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167    3.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1500    1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  2  1  0  0  0  0
  7  2  2  0  0  0  0
  8  9  1  0  0  0  0
  9 18  1  0  0  0  0
 10  8  1  0  0  0  0
 11  3  2  0  0  0  0
 12  7  1  0  0  0  0
 13  8  2  0  0  0  0
 14  6  2  0  0  0  0
 15  9  2  0  0  0  0
 16 10  1  0  0  0  0
 17 13  1  0  0  0  0
 18 21  1  0  0  0  0
 19 12  2  0  0  0  0
 20  4  1  0  0  0  0
 21 20  1  0  0  0  0
 22  7  1  0  0  0  0
 23 12  1  0  0  0  0
  6  5  1  0  0  0  0
 14 19  1  0  0  0  0
 17 16  2  0  0  0  0
M  END
>  <Mol_ID> (4,307)
4307

>  <Formula> (4,307)
C18H18N2O3

>  <MolWeight> (4,307)
310.34712

>  <COMPOUND_NAME> (4,307)
WAY-275074

>  <BAR_CODE_NO> (4,307)
393019

$$$$
WAY-275216
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    4.8375   -7.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4917   -6.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2292   -5.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1625   -6.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4042   -5.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2917   -9.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0042   -9.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3042  -10.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5792   -9.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7167   -9.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9875   -8.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8417   -8.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4167   -8.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6917   -7.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4292   -9.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2792   -6.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5667   -8.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3542   -6.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1250   -7.9542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8417   -5.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1125   -7.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7917   -6.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0417   -5.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  9  1  0  0  0  0
  7  6  1  0  0  0  0
  8  6  2  0  0  0  0
  9 17  1  0  0  0  0
 10  7  2  0  0  0  0
 11  7  1  0  0  0  0
 12  1  1  0  0  0  0
 13 14  1  0  0  0  0
 14 11  2  0  0  0  0
 15 10  1  0  0  0  0
 16  2  1  0  0  0  0
 17 12  1  0  0  0  0
 18  4  1  0  0  0  0
 19 13  1  0  0  0  0
 20  5  1  0  0  0  0
 21 19  1  0  0  0  0
 22 18  2  0  0  0  0
 23 22  1  0  0  0  0
  3  5  1  0  0  0  0
 20 23  2  0  0  0  0
 15 13  2  0  0  0  0
M  END
>  <Mol_ID> (4,308)
4308

>  <Formula> (4,308)
C19H20N2O2

>  <MolWeight> (4,308)
308.3743

>  <COMPOUND_NAME> (4,308)
WAY-275216

>  <BAR_CODE_NO> (4,308)
393161

$$$$
WAY-275253
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -1.7458    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7375   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4500    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4583   -1.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1625    0.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    1.3458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0250    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1708   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7125    2.5833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0125    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958    2.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0250   -1.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833    2.5583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8750    0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8750   -1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9833    3.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6958    4.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    0.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4083    3.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  3  1  0  0  0  0
  7 11  1  0  0  0  0
  8  1  1  0  0  0  0
  9  5  2  0  0  0  0
 10  7  1  0  0  0  0
 11  8  2  0  0  0  0
 12 10  1  0  0  0  0
 13  2  2  0  0  0  0
 14 12  2  0  0  0  0
 15  5  1  0  0  0  0
 16  8  1  0  0  0  0
 17  9  1  0  0  0  0
 18 12  1  0  0  0  0
 19 18  1  0  0  0  0
 20 15  2  0  0  0  0
 21 20  1  0  0  0  0
 22 19  1  0  0  0  0
  7  6  2  0  0  0  0
  4  9  1  0  0  0  0
 17 21  2  0  0  0  0
M  END
>  <Mol_ID> (4,309)
4309

>  <Formula> (4,309)
C17H16N2O3

>  <MolWeight> (4,309)
296.32054

>  <COMPOUND_NAME> (4,309)
WAY-275253

>  <BAR_CODE_NO> (4,309)
393198

$$$$
WAY-275281
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    4.8248    2.1020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8390    0.7142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6277    2.8182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6135    0.0122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6378    4.2161    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4164    2.1182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8674    4.9039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0462    2.7959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8775    6.3221    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4022    0.7142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0949    7.0018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0685    4.1979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0462    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3062    6.2795    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1192    8.3835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2052    2.8243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2453    2.0756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2052    0.0203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8998    9.0977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3062    9.0551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  3  1  0  0  0  0
  7 12  1  0  0  0  0
  8  1  1  0  0  0  0
  9  7  1  0  0  0  0
 10  6  2  0  0  0  0
 11  9  1  0  0  0  0
 12  8  2  0  0  0  0
 13  2  2  0  0  0  0
 14 11  2  0  0  0  0
 15 11  1  0  0  0  0
 16  6  1  0  0  0  0
 17  8  1  0  0  0  0
 18 10  1  0  0  0  0
 19 15  1  0  0  0  0
 20 15  1  0  0  0  0
 21 16  2  0  0  0  0
 22 21  1  0  0  0  0
  5  7  2  0  0  0  0
 10  4  1  0  0  0  0
 22 18  2  0  0  0  0
M  END
>  <Mol_ID> (4,310)
4310

>  <Formula> (4,310)
C17H16N2O3

>  <MolWeight> (4,310)
296.32054

>  <COMPOUND_NAME> (4,310)
WAY-275281

>  <BAR_CODE_NO> (4,310)
393226

$$$$
WAY-275303
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -2.4458    2.5583    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.1583    2.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    1.7333    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.8625    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8625    2.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7250    2.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    3.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208    3.7958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2875    1.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083    2.5583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0042    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000    0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9958    1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2833    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0250    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7167    0.0958    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292    0.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958    2.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1292    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167    2.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  6  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8  3  1  0  0  0  0
  9  4  1  0  0  0  0
 10  2  2  0  0  0  0
 11  7  2  0  0  0  0
 12  8  2  0  0  0  0
 13  8  1  0  0  0  0
 14  9  1  0  0  0  0
 15  9  2  0  0  0  0
 16  7  1  0  0  0  0
 17 19  2  0  0  0  0
 18 21  1  0  0  0  0
 19 15  1  0  0  0  0
 20 14  2  0  0  0  0
 21 13  2  0  0  0  0
 22 12  1  0  0  0  0
 23 17  1  0  0  0  0
 24 18  1  0  0  0  0
 25 16  1  0  0  0  0
 26 24  1  0  0  0  0
 27 25  1  0  0  0  0
  4  5  2  0  0  0  0
 22 18  2  0  0  0  0
 17 20  1  0  0  0  0
M  END
>  <Mol_ID> (4,311)
4311

>  <Formula> (4,311)
C22H21FO4

>  <MolWeight> (4,311)
368.3981432

>  <COMPOUND_NAME> (4,311)
WAY-275303

>  <BAR_CODE_NO> (4,311)
393248

$$$$
WAY-275305
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -2.4458    2.5583    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.1583    2.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    1.7333    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.8625    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8625    2.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7250    2.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    3.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208    3.7958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7250    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0250    1.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2875    1.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083    2.5583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0042    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3125    1.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0250    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9958    1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2833    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7167    0.0958    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    0.0708    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958    2.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167    2.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  6  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8  3  1  0  0  0  0
  9  4  1  0  0  0  0
 10  2  2  0  0  0  0
 11  7  2  0  0  0  0
 12  8  2  0  0  0  0
 13  8  1  0  0  0  0
 14  9  1  0  0  0  0
 15  9  2  0  0  0  0
 16  7  1  0  0  0  0
 17 19  1  0  0  0  0
 18 21  2  0  0  0  0
 19 13  2  0  0  0  0
 20 12  1  0  0  0  0
 21 15  1  0  0  0  0
 22 14  2  0  0  0  0
 23 18  1  0  0  0  0
 24 17  1  0  0  0  0
 25 16  1  0  0  0  0
 26 25  1  0  0  0  0
  4  5  2  0  0  0  0
 20 17  2  0  0  0  0
 18 22  1  0  0  0  0
M  END
>  <Mol_ID> (4,312)
4312

>  <Formula> (4,312)
C21H18F2O3

>  <MolWeight> (4,312)
356.3626264

>  <COMPOUND_NAME> (4,312)
WAY-275305

>  <BAR_CODE_NO> (4,312)
393250

$$$$
WAY-275307
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -2.4458    2.5583    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.4458    1.7333    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.1583    2.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8625    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8625    2.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7250    2.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    3.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7375    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208    3.7958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2875    1.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083    2.5583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0042    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0125    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2833    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9958    1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7167    0.0958    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208   -0.7292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958    2.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2875   -1.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167    2.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  5  2  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  4  1  0  0  0  0
 10  3  2  0  0  0  0
 11  8  2  0  0  0  0
 12  7  2  0  0  0  0
 13  9  2  0  0  0  0
 14  9  1  0  0  0  0
 15  7  1  0  0  0  0
 16 18  1  0  0  0  0
 17 11  1  0  0  0  0
 18 14  2  0  0  0  0
 19 13  1  0  0  0  0
 20 16  1  0  0  0  0
 21  8  1  0  0  0  0
 22 17  1  0  0  0  0
 23 21  2  0  0  0  0
 24 23  1  0  0  0  0
 25 15  1  0  0  0  0
 26 22  1  0  0  0  0
 27 25  1  0  0  0  0
  6  4  1  0  0  0  0
 17 24  2  0  0  0  0
 19 16  2  0  0  0  0
M  END
>  <Mol_ID> (4,313)
4313

>  <Formula> (4,313)
C22H21FO4

>  <MolWeight> (4,313)
368.3981432

>  <COMPOUND_NAME> (4,313)
WAY-275307

>  <BAR_CODE_NO> (4,313)
393252

$$$$
WAY-275312
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -2.4458    2.5583    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.1583    2.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    1.7333    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.8625    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8625    2.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7250    2.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3333    1.6583    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    3.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6625    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8708    1.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208    3.7958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4708    0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083    2.5583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333    1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958    2.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167    2.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208    1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0250    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208    0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  6  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8  1  1  0  0  0  0
  9  7  1  0  0  0  0
 10  2  2  0  0  0  0
 11  3  1  0  0  0  0
 12  7  2  0  0  0  0
 13  9  1  0  0  0  0
 14  8  2  0  0  0  0
 15 12  1  0  0  0  0
 16  8  1  0  0  0  0
 17 11  2  0  0  0  0
 18 11  1  0  0  0  0
 19 16  1  0  0  0  0
 20 19  1  0  0  0  0
 21 18  2  0  0  0  0
 22 17  1  0  0  0  0
 23 21  1  0  0  0  0
  4  5  2  0  0  0  0
 22 23  2  0  0  0  0
 15 13  2  0  0  0  0
M  END
>  <Mol_ID> (4,314)
4314

>  <Formula> (4,314)
C19H18O3S

>  <MolWeight> (4,314)
326.40942

>  <COMPOUND_NAME> (4,314)
WAY-275312

>  <BAR_CODE_NO> (4,314)
393257

$$$$
WAY-275325
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -2.4458    2.5583    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.1583    2.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    1.7333    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.8625    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8625    2.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7250    2.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    3.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2833    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208    3.7958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083    2.5583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9958    1.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7042    1.7333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5708    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2833    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333    1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958    2.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4292    1.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167    2.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208    1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0250    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208    0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  6  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8  4  1  0  0  0  0
  9  2  2  0  0  0  0
 10  3  1  0  0  0  0
 11  8  2  0  0  0  0
 12  7  2  0  0  0  0
 13  7  1  0  0  0  0
 14 11  1  0  0  0  0
 15 14  1  0  0  0  0
 16  8  1  0  0  0  0
 17 16  2  0  0  0  0
 18 10  2  0  0  0  0
 19 10  1  0  0  0  0
 20 17  1  0  0  0  0
 21 13  1  0  0  0  0
 22 15  1  0  0  0  0
 23 21  1  0  0  0  0
 24 19  2  0  0  0  0
 25 18  1  0  0  0  0
 26 24  1  0  0  0  0
  4  5  2  0  0  0  0
 25 26  2  0  0  0  0
 14 20  2  0  0  0  0
M  END
>  <Mol_ID> (4,315)
4315

>  <Formula> (4,315)
C22H22O4

>  <MolWeight> (4,315)
350.40768

>  <COMPOUND_NAME> (4,315)
WAY-275325

>  <BAR_CODE_NO> (4,315)
393270

$$$$
WAY-275331
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -2.4458    2.5583    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.1583    2.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    1.7333    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.8625    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8625    2.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7250    2.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6625    0.4958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    3.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3125    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208    3.7958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4750    0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8750    1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083    2.5583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333    1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958    2.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167    2.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208    1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0250    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208    0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  6  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8  1  1  0  0  0  0
  9  7  1  0  0  0  0
 10  2  2  0  0  0  0
 11  3  1  0  0  0  0
 12  7  2  0  0  0  0
 13  8  2  0  0  0  0
 14  9  1  0  0  0  0
 15 12  1  0  0  0  0
 16  8  1  0  0  0  0
 17 11  2  0  0  0  0
 18 11  1  0  0  0  0
 19 16  1  0  0  0  0
 20 19  1  0  0  0  0
 21 18  2  0  0  0  0
 22 17  1  0  0  0  0
 23 21  1  0  0  0  0
  4  5  2  0  0  0  0
 22 23  2  0  0  0  0
 15 14  2  0  0  0  0
M  END
>  <Mol_ID> (4,316)
4316

>  <Formula> (4,316)
C19H18O4

>  <MolWeight> (4,316)
310.34382

>  <COMPOUND_NAME> (4,316)
WAY-275331

>  <BAR_CODE_NO> (4,316)
393276

$$$$
WAY-275332
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -2.4458    2.5583    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.1583    2.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    1.7333    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.8625    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8625    2.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7250    2.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6625    0.4958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    3.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3125    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208    3.7958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4750    0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8750    1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083    2.5583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3125    1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208    0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958    2.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4250    0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167    2.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  6  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8  1  1  0  0  0  0
  9  3  1  0  0  0  0
 10  7  1  0  0  0  0
 11  2  2  0  0  0  0
 12  7  2  0  0  0  0
 13  8  2  0  0  0  0
 14 10  1  0  0  0  0
 15 12  1  0  0  0  0
 16  9  2  0  0  0  0
 17  9  1  0  0  0  0
 18  8  1  0  0  0  0
 19 17  2  0  0  0  0
 20 16  1  0  0  0  0
 21 19  1  0  0  0  0
 22 18  1  0  0  0  0
 23 21  1  0  0  0  0
 24 22  1  0  0  0  0
  4  5  2  0  0  0  0
 20 21  2  0  0  0  0
 15 14  2  0  0  0  0
M  END
>  <Mol_ID> (4,317)
4317

>  <Formula> (4,317)
C20H20O4

>  <MolWeight> (4,317)
324.3704

>  <COMPOUND_NAME> (4,317)
WAY-275332

>  <BAR_CODE_NO> (4,317)
393277

$$$$
WAY-275350
csChFnd80/06171916322D

 29 31  0  0  0  0  0  0  0  0999 V2000
   -2.4458    2.5583    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.4458    1.7333    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.1583    2.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8625    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8625    2.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7250    2.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0125    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    3.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3125    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0125    1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208    3.7958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083    1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2833    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083    2.5583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333   -0.7167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9875    1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2833    0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000    0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000    0.0833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958    2.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7167    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458   -1.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167    2.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  5  2  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  2  1  0  0  0  0
  8  1  1  0  0  0  0
  9  7  2  0  0  0  0
 10  9  1  0  0  0  0
 11  4  1  0  0  0  0
 12  3  2  0  0  0  0
 13 16  1  0  0  0  0
 14  7  1  0  0  0  0
 15  8  2  0  0  0  0
 16 14  2  0  0  0  0
 17 11  2  0  0  0  0
 18 11  1  0  0  0  0
 19  8  1  0  0  0  0
 20 10  1  0  0  0  0
 21 17  1  0  0  0  0
 22 18  2  0  0  0  0
 23 22  1  0  0  0  0
 24 13  1  0  0  0  0
 25 19  1  0  0  0  0
 26 23  1  0  0  0  0
 27 20  1  0  0  0  0
 28 24  1  0  0  0  0
 29 25  1  0  0  0  0
  6  4  1  0  0  0  0
 10 13  2  0  0  0  0
 21 23  2  0  0  0  0
M  END
>  <Mol_ID> (4,318)
4318

>  <Formula> (4,318)
C24H26O5

>  <MolWeight> (4,318)
394.46024

>  <COMPOUND_NAME> (4,318)
WAY-275350

>  <BAR_CODE_NO> (4,318)
393295

$$$$
WAY-275362
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -0.6250   -0.6667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000   -0.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6208   -1.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8458    3.1458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0375   -0.1667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.0583    0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333    0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0333    3.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0750   -1.5875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5500    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5625    2.7333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6333    2.3458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042   -1.8917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4000   -2.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6208   -2.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1958   -2.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167    0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042   -1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3625    1.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5333    2.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0833    3.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7125    2.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8583    1.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7875   -1.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792   -0.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1750   -1.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  9  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  2  0  0  0  0
  7  5  1  0  0  0  0
  8  3  1  0  0  0  0
  9 23  1  0  0  0  0
 10  8  1  0  0  0  0
 11  5  1  0  0  0  0
 12  6  1  0  0  0  0
 13  4  2  0  0  0  0
 14  4  2  0  0  0  0
 15  3  2  0  0  0  0
 16  8  2  0  0  0  0
 17 10  1  0  0  0  0
 18 16  1  0  0  0  0
 19 11  1  0  0  0  0
 20 12  2  0  0  0  0
 21 11  2  0  0  0  0
 22 12  1  0  0  0  0
 23 26  1  0  0  0  0
 24  4  1  0  0  0  0
 25 20  1  0  0  0  0
 26 22  2  0  0  0  0
 27 21  1  0  0  0  0
 28 19  2  0  0  0  0
 29 27  2  0  0  0  0
 30 29  1  0  0  0  0
  6  7  1  0  0  0  0
 18 17  2  0  0  0  0
 29 28  1  0  0  0  0
 23 25  2  0  0  0  0
M  END
>  <Mol_ID> (4,319)
4319

>  <Formula> (4,319)
C22H21N3O3S2

>  <MolWeight> (4,319)
439.55044

>  <COMPOUND_NAME> (4,319)
WAY-275362

>  <BAR_CODE_NO> (4,319)
393307

$$$$
WAY-275363
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -0.6250   -0.6667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000   -0.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6208   -1.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8458    3.1458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0375   -0.1667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.0583    0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333    0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0333    3.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5500    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6333    2.3458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5625    2.7333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4000   -2.7417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042   -1.8917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0625   -1.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2083   -2.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6208   -2.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167    0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042   -1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3625    1.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5333    2.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0833    3.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7125    2.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8583    1.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7875   -1.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792   -0.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1750   -1.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  9  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  2  0  0  0  0
  7  5  1  0  0  0  0
  8  3  1  0  0  0  0
  9 23  1  0  0  0  0
 10  5  1  0  0  0  0
 11  6  1  0  0  0  0
 12  4  2  0  0  0  0
 13  4  2  0  0  0  0
 14  8  1  0  0  0  0
 15  3  2  0  0  0  0
 16  8  2  0  0  0  0
 17 14  1  0  0  0  0
 18 16  1  0  0  0  0
 19 10  1  0  0  0  0
 20 11  2  0  0  0  0
 21 10  2  0  0  0  0
 22 11  1  0  0  0  0
 23 26  1  0  0  0  0
 24  4  1  0  0  0  0
 25 20  1  0  0  0  0
 26 22  2  0  0  0  0
 27 21  1  0  0  0  0
 28 19  2  0  0  0  0
 29 27  2  0  0  0  0
 30 29  1  0  0  0  0
  6  7  1  0  0  0  0
 18 17  2  0  0  0  0
 29 28  1  0  0  0  0
 23 25  2  0  0  0  0
M  END
>  <Mol_ID> (4,320)
4320

>  <Formula> (4,320)
C22H21N3O4S

>  <MolWeight> (4,320)
423.48484

>  <COMPOUND_NAME> (4,320)
WAY-275363

>  <BAR_CODE_NO> (4,320)
393308

$$$$
WAY-275364
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -0.6250   -0.6667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000   -0.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6208   -1.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8458    3.1458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0375   -0.1667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.0583    0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333    0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0333    3.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5500    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6333    2.3458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5625    2.7333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4000   -2.7417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042   -1.8917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0625   -1.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2083   -2.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6208   -2.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167    0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042   -1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3625    1.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5333    2.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0833    3.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792   -0.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8583    1.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7125    2.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7875   -1.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1750   -1.1292    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  9  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  2  0  0  0  0
  7  5  1  0  0  0  0
  8  3  1  0  0  0  0
  9 23  1  0  0  0  0
 10  5  1  0  0  0  0
 11  6  1  0  0  0  0
 12  4  2  0  0  0  0
 13  4  2  0  0  0  0
 14  8  1  0  0  0  0
 15  3  2  0  0  0  0
 16  8  2  0  0  0  0
 17 14  1  0  0  0  0
 18 16  1  0  0  0  0
 19 10  1  0  0  0  0
 20 11  2  0  0  0  0
 21 10  2  0  0  0  0
 22 11  1  0  0  0  0
 23 26  1  0  0  0  0
 24  4  1  0  0  0  0
 25 28  2  0  0  0  0
 26 22  2  0  0  0  0
 27 20  1  0  0  0  0
 28 21  1  0  0  0  0
 29 19  2  0  0  0  0
 30 25  1  0  0  0  0
  6  7  1  0  0  0  0
 25 29  1  0  0  0  0
 18 17  2  0  0  0  0
 23 27  2  0  0  0  0
M  END
>  <Mol_ID> (4,321)
4321

>  <Formula> (4,321)
C21H18FN3O4S

>  <MolWeight> (4,321)
427.4487232

>  <COMPOUND_NAME> (4,321)
WAY-275364

>  <BAR_CODE_NO> (4,321)
393309

$$$$
WAY-275365
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
   -0.6250   -0.6667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000   -0.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8458    3.1458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6208   -1.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0375   -0.1667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.0583    0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333    0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0333    3.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5500    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5625    2.7333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6333    2.3458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042   -1.8917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167    0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042   -1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3625    1.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5333    2.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0833    3.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792   -0.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8583    1.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7125    2.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7875   -1.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1750   -1.1292    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0208   -1.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000   -2.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0208   -3.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7375   -1.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7458   -2.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  8  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  2  0  0  0  0
  7  5  1  0  0  0  0
  8 19  1  0  0  0  0
  9  5  1  0  0  0  0
 10  6  1  0  0  0  0
 11  3  2  0  0  0  0
 12  3  2  0  0  0  0
 13  4  2  0  0  0  0
 14  4  1  0  0  0  0
 15  9  1  0  0  0  0
 16 10  2  0  0  0  0
 17  9  2  0  0  0  0
 18 10  1  0  0  0  0
 19 22  1  0  0  0  0
 20  3  1  0  0  0  0
 21 24  2  0  0  0  0
 22 18  2  0  0  0  0
 23 16  1  0  0  0  0
 24 17  1  0  0  0  0
 25 15  2  0  0  0  0
 26 21  1  0  0  0  0
 27 14  1  0  0  0  0
 28 14  1  0  0  0  0
 29 28  1  0  0  0  0
 30 27  1  0  0  0  0
 31 29  1  0  0  0  0
  6  7  1  0  0  0  0
 21 25  1  0  0  0  0
 30 31  1  0  0  0  0
 19 23  2  0  0  0  0
M  END
>  <Mol_ID> (4,322)
4322

>  <Formula> (4,322)
C23H26FN3O3S

>  <MolWeight> (4,322)
443.5342432

>  <COMPOUND_NAME> (4,322)
WAY-275365

>  <BAR_CODE_NO> (4,322)
393310

$$$$
WAY-275373
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -0.6250   -0.6667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000   -0.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6208   -1.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0375   -0.1667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.8458    3.1458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0583    0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333    0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0333    3.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5500    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6333    2.3458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5625    2.7333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4000   -2.7417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792   -1.1917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042   -1.8917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0625   -1.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4625    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9417   -1.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2083   -2.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1417   -0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6208   -2.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3625    1.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5333    2.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0833    3.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7125    2.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8583    1.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5 10  1  0  0  0  0
  6  2  2  0  0  0  0
  7  4  1  0  0  0  0
  8  3  1  0  0  0  0
  9  4  1  0  0  0  0
 10 25  1  0  0  0  0
 11  6  1  0  0  0  0
 12  5  2  0  0  0  0
 13  5  2  0  0  0  0
 14  8  1  0  0  0  0
 15  9  1  0  0  0  0
 16  3  2  0  0  0  0
 17  8  2  0  0  0  0
 18  9  2  0  0  0  0
 19 15  1  0  0  0  0
 20 14  1  0  0  0  0
 21 18  1  0  0  0  0
 22 17  1  0  0  0  0
 23 11  2  0  0  0  0
 24 11  1  0  0  0  0
 25 28  1  0  0  0  0
 26  5  1  0  0  0  0
 27 23  1  0  0  0  0
 28 24  2  0  0  0  0
  6  7  1  0  0  0  0
 21 19  2  0  0  0  0
 22 20  2  0  0  0  0
 25 27  2  0  0  0  0
M  END
>  <Mol_ID> (4,323)
4323

>  <Formula> (4,323)
C19H17N3O5S

>  <MolWeight> (4,323)
399.42038

>  <COMPOUND_NAME> (4,323)
WAY-275373

>  <BAR_CODE_NO> (4,323)
393318

$$$$
WAY-275379
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -0.6250   -0.6667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000   -0.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0375   -0.1667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.6208   -1.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8458    3.1458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0583    0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333    0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0333    3.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0750   -1.5875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5500    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5625    2.7333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6333    2.3458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042   -1.8917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167    0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4000   -2.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6208   -2.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1958   -2.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3625    1.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5333    2.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0833    3.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.9708    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7125    2.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8583    1.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917   -1.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2125   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7917   -1.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3917   -0.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5 10  1  0  0  0  0
  6  2  2  0  0  0  0
  7  3  1  0  0  0  0
  8  3  1  0  0  0  0
  9  4  1  0  0  0  0
 10 22  1  0  0  0  0
 11  9  1  0  0  0  0
 12  6  1  0  0  0  0
 13  5  2  0  0  0  0
 14  5  2  0  0  0  0
 15  4  2  0  0  0  0
 16  8  2  0  0  0  0
 17  9  2  0  0  0  0
 18 11  1  0  0  0  0
 19 17  1  0  0  0  0
 20 12  1  0  0  0  0
 21 12  2  0  0  0  0
 22 25  2  0  0  0  0
 23  5  1  0  0  0  0
 24 16  1  0  0  0  0
 25 21  1  0  0  0  0
 26 20  2  0  0  0  0
 27  8  1  0  0  0  0
 28 16  1  0  0  0  0
 29 27  2  0  0  0  0
 30 29  1  0  0  0  0
  6  7  1  0  0  0  0
 19 18  2  0  0  0  0
 28 30  2  0  0  0  0
 26 22  1  0  0  0  0
M  END
>  <Mol_ID> (4,324)
4324

>  <Formula> (4,324)
C21H18FN3O3S2

>  <MolWeight> (4,324)
443.5143232

>  <COMPOUND_NAME> (4,324)
WAY-275379

>  <BAR_CODE_NO> (4,324)
393324

$$$$
WAY-275380
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -0.6250   -0.6667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000   -0.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0375   -0.1667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.6208   -1.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8458    3.1458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0583    0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333    0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0333    3.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5500    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6333    2.3458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5625    2.7333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4000   -2.7417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042   -1.8917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167    0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0625   -1.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2083   -2.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6208   -2.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3625    1.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5333    2.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0833    3.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.9708    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7125    2.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8583    1.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917   -1.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2125   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7917   -1.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3917   -0.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5 10  1  0  0  0  0
  6  2  2  0  0  0  0
  7  3  1  0  0  0  0
  8  3  1  0  0  0  0
  9  4  1  0  0  0  0
 10 22  1  0  0  0  0
 11  6  1  0  0  0  0
 12  5  2  0  0  0  0
 13  5  2  0  0  0  0
 14  9  1  0  0  0  0
 15  4  2  0  0  0  0
 16  8  2  0  0  0  0
 17  9  2  0  0  0  0
 18 14  1  0  0  0  0
 19 17  1  0  0  0  0
 20 11  1  0  0  0  0
 21 11  2  0  0  0  0
 22 25  2  0  0  0  0
 23  5  1  0  0  0  0
 24 16  1  0  0  0  0
 25 21  1  0  0  0  0
 26 20  2  0  0  0  0
 27  8  1  0  0  0  0
 28 16  1  0  0  0  0
 29 27  2  0  0  0  0
 30 29  1  0  0  0  0
  6  7  1  0  0  0  0
 19 18  2  0  0  0  0
 28 30  2  0  0  0  0
 26 22  1  0  0  0  0
M  END
>  <Mol_ID> (4,325)
4325

>  <Formula> (4,325)
C21H18FN3O4S

>  <MolWeight> (4,325)
427.4487232

>  <COMPOUND_NAME> (4,325)
WAY-275380

>  <BAR_CODE_NO> (4,325)
393325

$$$$
WAY-275381
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
   -0.6250   -0.6667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000   -0.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0375   -0.1667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.8458    3.1458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6208   -1.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0583    0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333    0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0333    3.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5500    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5625    2.7333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6333    2.3458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042   -1.8917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167    0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3625    1.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5333    2.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0833    3.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.9708    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7125    2.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8583    1.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917   -1.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2125   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0208   -1.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000   -2.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7917   -1.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3917   -0.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0208   -3.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7375   -1.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7458   -2.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  9  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  2  0  0  0  0
  7  3  1  0  0  0  0
  8  3  1  0  0  0  0
  9 18  1  0  0  0  0
 10  6  1  0  0  0  0
 11  4  2  0  0  0  0
 12  4  2  0  0  0  0
 13  5  2  0  0  0  0
 14  8  2  0  0  0  0
 15  5  1  0  0  0  0
 16 10  1  0  0  0  0
 17 10  2  0  0  0  0
 18 21  2  0  0  0  0
 19  4  1  0  0  0  0
 20 14  1  0  0  0  0
 21 17  1  0  0  0  0
 22 16  2  0  0  0  0
 23  8  1  0  0  0  0
 24 14  1  0  0  0  0
 25 15  1  0  0  0  0
 26 15  1  0  0  0  0
 27 23  2  0  0  0  0
 28 27  1  0  0  0  0
 29 26  1  0  0  0  0
 30 25  1  0  0  0  0
 31 29  1  0  0  0  0
  6  7  1  0  0  0  0
 30 31  1  0  0  0  0
 24 28  2  0  0  0  0
 22 18  1  0  0  0  0
M  END
>  <Mol_ID> (4,326)
4326

>  <Formula> (4,326)
C23H26FN3O3S

>  <MolWeight> (4,326)
443.5342432

>  <COMPOUND_NAME> (4,326)
WAY-275381

>  <BAR_CODE_NO> (4,326)
393326

$$$$
WAY-275382
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -0.6250   -0.6667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000   -0.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6208   -1.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8458    3.1458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0375   -0.1667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.0583    0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333    0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0333    3.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0750   -1.5875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5500    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5625    2.7333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6333    2.3458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042   -1.8917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4000   -2.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4292    0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6208   -2.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1958   -2.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3625    1.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5333    2.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0833    3.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2292   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7125    2.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8583    1.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8292    0.4583    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.0125   -1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792   -1.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792   -0.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4 10  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  2  0  0  0  0
  7  5  1  0  0  0  0
  8  3  1  0  0  0  0
  9  5  1  0  0  0  0
 10 22  1  0  0  0  0
 11  8  1  0  0  0  0
 12  6  1  0  0  0  0
 13  4  2  0  0  0  0
 14  4  2  0  0  0  0
 15  3  2  0  0  0  0
 16  8  2  0  0  0  0
 17  9  2  0  0  0  0
 18 11  1  0  0  0  0
 19 16  1  0  0  0  0
 20 12  1  0  0  0  0
 21 12  2  0  0  0  0
 22 25  2  0  0  0  0
 23  4  1  0  0  0  0
 24 17  1  0  0  0  0
 25 21  1  0  0  0  0
 26 20  2  0  0  0  0
 27 24  1  0  0  0  0
 28  9  1  0  0  0  0
 29 28  2  0  0  0  0
 30 29  1  0  0  0  0
  6  7  1  0  0  0  0
 19 18  2  0  0  0  0
 24 30  2  0  0  0  0
 26 22  1  0  0  0  0
M  END
>  <Mol_ID> (4,327)
4327

>  <Formula> (4,327)
C21H18FN3O3S2

>  <MolWeight> (4,327)
443.5143232

>  <COMPOUND_NAME> (4,327)
WAY-275382

>  <BAR_CODE_NO> (4,327)
393327

$$$$
WAY-275383
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -0.6250   -0.6667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000   -0.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6208   -1.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8458    3.1458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0375   -0.1667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.0583    0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333    0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0333    3.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5500    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6333    2.3458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5625    2.7333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4000   -2.7417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042   -1.8917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0625   -1.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4292    0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2083   -2.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6208   -2.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3625    1.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5333    2.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0833    3.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2292   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7125    2.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8583    1.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8292    0.4583    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.0125   -1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792   -1.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792   -0.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4 10  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  2  0  0  0  0
  7  5  1  0  0  0  0
  8  3  1  0  0  0  0
  9  5  1  0  0  0  0
 10 22  1  0  0  0  0
 11  6  1  0  0  0  0
 12  4  2  0  0  0  0
 13  4  2  0  0  0  0
 14  8  1  0  0  0  0
 15  3  2  0  0  0  0
 16  8  2  0  0  0  0
 17  9  2  0  0  0  0
 18 14  1  0  0  0  0
 19 16  1  0  0  0  0
 20 11  1  0  0  0  0
 21 11  2  0  0  0  0
 22 25  2  0  0  0  0
 23  4  1  0  0  0  0
 24 17  1  0  0  0  0
 25 21  1  0  0  0  0
 26 20  2  0  0  0  0
 27 24  1  0  0  0  0
 28  9  1  0  0  0  0
 29 28  2  0  0  0  0
 30 29  1  0  0  0  0
  6  7  1  0  0  0  0
 19 18  2  0  0  0  0
 24 30  2  0  0  0  0
 26 22  1  0  0  0  0
M  END
>  <Mol_ID> (4,328)
4328

>  <Formula> (4,328)
C21H18FN3O4S

>  <MolWeight> (4,328)
427.4487232

>  <COMPOUND_NAME> (4,328)
WAY-275383

>  <BAR_CODE_NO> (4,328)
393328

$$$$
WAY-275384
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
   -0.6250   -0.6667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000   -0.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8458    3.1458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0375   -0.1667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.6208   -1.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0583    0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333    0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0333    3.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5500    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5625    2.7333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6333    2.3458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042   -1.8917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4292    0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3625    1.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5333    2.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0833    3.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2292   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7125    2.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8583    1.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8292    0.4583    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.0125   -1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792   -1.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792   -0.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0208   -1.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000   -2.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0208   -3.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7375   -1.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7458   -2.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  9  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  2  0  0  0  0
  7  4  1  0  0  0  0
  8  4  1  0  0  0  0
  9 18  1  0  0  0  0
 10  6  1  0  0  0  0
 11  3  2  0  0  0  0
 12  3  2  0  0  0  0
 13  5  2  0  0  0  0
 14  8  2  0  0  0  0
 15  5  1  0  0  0  0
 16 10  1  0  0  0  0
 17 10  2  0  0  0  0
 18 21  2  0  0  0  0
 19  3  1  0  0  0  0
 20 14  1  0  0  0  0
 21 17  1  0  0  0  0
 22 16  2  0  0  0  0
 23 20  1  0  0  0  0
 24  8  1  0  0  0  0
 25 24  2  0  0  0  0
 26 25  1  0  0  0  0
 27 15  1  0  0  0  0
 28 15  1  0  0  0  0
 29 28  1  0  0  0  0
 30 27  1  0  0  0  0
 31 29  1  0  0  0  0
  6  7  1  0  0  0  0
 30 31  1  0  0  0  0
 20 26  2  0  0  0  0
 22 18  1  0  0  0  0
M  END
>  <Mol_ID> (4,329)
4329

>  <Formula> (4,329)
C23H26FN3O3S

>  <MolWeight> (4,329)
443.5342432

>  <COMPOUND_NAME> (4,329)
WAY-275384

>  <BAR_CODE_NO> (4,329)
393329

$$$$
WAY-275385
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -0.6250   -0.6667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000   -0.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6208   -1.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0375   -0.1667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.8458    3.1458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0583    0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333    0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0333    3.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0750   -1.5875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5500    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5625    2.7333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6333    2.3458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042   -1.8917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4000   -2.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6208   -2.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167    0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1958   -2.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3625    1.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5333    2.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0833    3.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8583    1.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7125    2.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917   -1.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2125   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7917   -1.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3917   -0.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5 10  1  0  0  0  0
  6  2  2  0  0  0  0
  7  4  1  0  0  0  0
  8  3  1  0  0  0  0
  9  4  1  0  0  0  0
 10 22  1  0  0  0  0
 11  8  1  0  0  0  0
 12  6  1  0  0  0  0
 13  5  2  0  0  0  0
 14  5  2  0  0  0  0
 15  3  2  0  0  0  0
 16  8  2  0  0  0  0
 17 11  1  0  0  0  0
 18  9  2  0  0  0  0
 19 16  1  0  0  0  0
 20 12  1  0  0  0  0
 21 12  2  0  0  0  0
 22 25  2  0  0  0  0
 23  5  1  0  0  0  0
 24 20  2  0  0  0  0
 25 21  1  0  0  0  0
 26  9  1  0  0  0  0
 27 18  1  0  0  0  0
 28 18  1  0  0  0  0
 29 26  2  0  0  0  0
 30 29  1  0  0  0  0
  6  7  1  0  0  0  0
 19 17  2  0  0  0  0
 28 30  2  0  0  0  0
 24 22  1  0  0  0  0
M  END
>  <Mol_ID> (4,330)
4330

>  <Formula> (4,330)
C22H21N3O3S2

>  <MolWeight> (4,330)
439.55044

>  <COMPOUND_NAME> (4,330)
WAY-275385

>  <BAR_CODE_NO> (4,330)
393330

$$$$
WAY-275387
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
   -0.6250   -0.6667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000   -0.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0375   -0.1667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.8458    3.1458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6208   -1.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0583    0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333    0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0333    3.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5500    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5625    2.7333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6333    2.3458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042   -1.8917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167    0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3625    1.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5333    2.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0833    3.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8583    1.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7125    2.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917   -1.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2125   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0208   -1.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000   -2.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7917   -1.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3917   -0.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0208   -3.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7375   -1.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7458   -2.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  9  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  2  0  0  0  0
  7  3  1  0  0  0  0
  8  3  1  0  0  0  0
  9 18  1  0  0  0  0
 10  6  1  0  0  0  0
 11  4  2  0  0  0  0
 12  4  2  0  0  0  0
 13  5  2  0  0  0  0
 14  5  1  0  0  0  0
 15  8  2  0  0  0  0
 16 10  1  0  0  0  0
 17 10  2  0  0  0  0
 18 21  2  0  0  0  0
 19  4  1  0  0  0  0
 20 16  2  0  0  0  0
 21 17  1  0  0  0  0
 22  8  1  0  0  0  0
 23 15  1  0  0  0  0
 24 15  1  0  0  0  0
 25 14  1  0  0  0  0
 26 14  1  0  0  0  0
 27 22  2  0  0  0  0
 28 27  1  0  0  0  0
 29 26  1  0  0  0  0
 30 25  1  0  0  0  0
 31 29  1  0  0  0  0
  6  7  1  0  0  0  0
 30 31  1  0  0  0  0
 24 28  2  0  0  0  0
 20 18  1  0  0  0  0
M  END
>  <Mol_ID> (4,331)
4331

>  <Formula> (4,331)
C24H29N3O3S

>  <MolWeight> (4,331)
439.57036

>  <COMPOUND_NAME> (4,331)
WAY-275387

>  <BAR_CODE_NO> (4,331)
393332

$$$$
WAY-275399
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -0.6250   -0.6667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000   -0.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6208   -1.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8458    3.1458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0375   -0.1667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.0583    0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333    0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0333    3.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0750   -1.5875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5500    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6333    2.3458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5625    2.7333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042   -1.8917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4000   -2.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6208   -2.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1958   -2.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3625    1.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5333    2.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0833    3.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7125    2.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8583    1.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917   -1.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167    0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7875   -1.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2125   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792   -0.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  9  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  2  0  0  0  0
  7  5  1  0  0  0  0
  8  3  1  0  0  0  0
  9 21  1  0  0  0  0
 10  8  1  0  0  0  0
 11  6  1  0  0  0  0
 12  4  2  0  0  0  0
 13  4  2  0  0  0  0
 14  3  2  0  0  0  0
 15  8  2  0  0  0  0
 16  5  1  0  0  0  0
 17 10  1  0  0  0  0
 18 15  1  0  0  0  0
 19 11  2  0  0  0  0
 20 11  1  0  0  0  0
 21 24  1  0  0  0  0
 22  4  1  0  0  0  0
 23 19  1  0  0  0  0
 24 20  2  0  0  0  0
 25 16  1  0  0  0  0
 26 16  2  0  0  0  0
 27 25  2  0  0  0  0
 28 26  1  0  0  0  0
 29 28  2  0  0  0  0
  6  7  1  0  0  0  0
 18 17  2  0  0  0  0
 29 27  1  0  0  0  0
 21 23  2  0  0  0  0
M  END
>  <Mol_ID> (4,332)
4332

>  <Formula> (4,332)
C21H19N3O3S2

>  <MolWeight> (4,332)
425.52386

>  <COMPOUND_NAME> (4,332)
WAY-275399

>  <BAR_CODE_NO> (4,332)
393344

$$$$
WAY-275400
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -0.6250   -0.6667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000   -0.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6208   -1.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8458    3.1458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0375   -0.1667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.0583    0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333    0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0333    3.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5500    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5625    2.7333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6333    2.3458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4000   -2.7417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042   -1.8917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0625   -1.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2083   -2.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6208   -2.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3625    1.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5333    2.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0833    3.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7125    2.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8583    1.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917   -1.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167    0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7875   -1.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2125   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792   -0.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  9  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  2  0  0  0  0
  7  5  1  0  0  0  0
  8  3  1  0  0  0  0
  9 21  1  0  0  0  0
 10  6  1  0  0  0  0
 11  4  2  0  0  0  0
 12  4  2  0  0  0  0
 13  8  1  0  0  0  0
 14  3  2  0  0  0  0
 15  8  2  0  0  0  0
 16  5  1  0  0  0  0
 17 13  1  0  0  0  0
 18 15  1  0  0  0  0
 19 10  2  0  0  0  0
 20 10  1  0  0  0  0
 21 24  1  0  0  0  0
 22  4  1  0  0  0  0
 23 19  1  0  0  0  0
 24 20  2  0  0  0  0
 25 16  1  0  0  0  0
 26 16  2  0  0  0  0
 27 25  2  0  0  0  0
 28 26  1  0  0  0  0
 29 28  2  0  0  0  0
  6  7  1  0  0  0  0
 18 17  2  0  0  0  0
 29 27  1  0  0  0  0
 21 23  2  0  0  0  0
M  END
>  <Mol_ID> (4,333)
4333

>  <Formula> (4,333)
C21H19N3O4S

>  <MolWeight> (4,333)
409.45826

>  <COMPOUND_NAME> (4,333)
WAY-275400

>  <BAR_CODE_NO> (4,333)
393345

$$$$
WAY-275557
csChFnd80/06171916322D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.3563    0.0484    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3563   -0.7766    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3604    0.4692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3604   -1.1766    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0687    0.0484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0688    0.4609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0687   -0.7766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7813    0.0484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4938    0.4609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3604    1.2942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4938    1.2859    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7771    0.4609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2063    0.0484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7812   -1.1766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4937    0.0567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4854   -0.7766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  5  2  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  3  2  0  0  0  0
 11  9  2  0  0  0  0
 12  5  1  0  0  0  0
 13  9  1  0  0  0  0
 14  7  1  0  0  0  0
 15 12  2  0  0  0  0
 16 14  2  0  0  0  0
  4  7  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (4,334)
4334

>  <Formula> (4,334)
C10H9N3O3

>  <MolWeight> (4,334)
219.19676

>  <COMPOUND_NAME> (4,334)
WAY-275557

>  <BAR_CODE_NO> (4,334)
393502

$$$$
WAY-275573
csChFnd80/06171916322D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -3.8583    2.5333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1875    3.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8625    1.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4458    3.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    1.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1500    1.2875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4083    2.7583    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5333    3.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    0.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2875    1.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2708    3.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2958    0.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000    1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000    0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2375    1.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7125    0.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  3  2  0  0  0  0
  7  2  1  0  0  0  0
  8  1  1  0  0  0  0
  9  5  2  0  0  0  0
 10  5  1  0  0  0  0
 11  8  1  0  0  0  0
 12  9  1  0  0  0  0
 13 10  2  0  0  0  0
 14 13  1  0  0  0  0
 15  7  1  0  0  0  0
 16 14  1  0  0  0  0
  4 11  1  0  0  0  0
 14 12  2  0  0  0  0
M  END
>  <Mol_ID> (4,335)
4335

>  <Formula> (4,335)
C12H14N2OS

>  <MolWeight> (4,335)
234.31736

>  <COMPOUND_NAME> (4,335)
WAY-275573

>  <BAR_CODE_NO> (4,335)
393518

$$$$
WAY-275576
csChFnd80/06171916322D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -3.8583    2.5333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1875    3.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8625    1.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4458    3.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    1.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1500    1.2875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7167    0.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0042    0.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4083    2.7583    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5333    3.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    0.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3000    1.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2958    0.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0125    1.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2708    3.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5167   -0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3125    0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4167   -0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2375    1.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  3  2  0  0  0  0
  7  8  1  0  0  0  0
  8 14  1  0  0  0  0
  9  2  1  0  0  0  0
 10  1  1  0  0  0  0
 11  5  2  0  0  0  0
 12  5  1  0  0  0  0
 13 11  1  0  0  0  0
 14 12  2  0  0  0  0
 15 10  1  0  0  0  0
 16  7  1  0  0  0  0
 17  7  1  0  0  0  0
 18  7  1  0  0  0  0
 19  9  1  0  0  0  0
  4 15  1  0  0  0  0
 13  8  2  0  0  0  0
M  END
>  <Mol_ID> (4,336)
4336

>  <Formula> (4,336)
C15H20N2OS

>  <MolWeight> (4,336)
276.3971

>  <COMPOUND_NAME> (4,336)
WAY-275576

>  <BAR_CODE_NO> (4,336)
393521

$$$$
WAY-275648
csChFnd80/06171916322D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -3.8583    2.5333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1875    3.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8625    1.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4458    3.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4083    2.7583    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1500    1.2875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5333    3.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2708    3.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7958    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3125    5.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9583    4.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4875    6.5292    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9333    5.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5250    5.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7583    4.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3500    4.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    1.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  2  1  0  0  0  0
  6  3  2  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9  5  1  0  0  0  0
 10 14  2  0  0  0  0
 11  9  1  0  0  0  0
 12 10  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 11  1  0  0  0  0
 16 11  2  0  0  0  0
 17  3  1  0  0  0  0
  4  8  1  0  0  0  0
 13 10  1  0  0  0  0
M  END
>  <Mol_ID> (4,337)
4337

>  <Formula> (4,337)
C12H13FN2OS

>  <MolWeight> (4,337)
252.3078232

>  <COMPOUND_NAME> (4,337)
WAY-275648

>  <BAR_CODE_NO> (4,337)
393594

$$$$
WAY-275841
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -2.4833    2.7833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5000    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208    2.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6958    3.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7250    1.6833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2875    1.7208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2583    3.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083    1.5958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958    2.3208    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.7583    2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292    3.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4208    3.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583    3.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8125    1.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2875    3.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0625    4.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8917    4.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0375    0.1708    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -4.5833    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042    0.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7875    0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167    5.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4625   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  2  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  2  2  0  0  0  0
  7  1  1  0  0  0  0
  8  9  1  0  0  0  0
  9  3  1  0  0  0  0
 10  7  2  0  0  0  0
 11  8  1  0  0  0  0
 12  9  1  0  0  0  0
 13  4  1  0  0  0  0
 14 12  2  0  0  0  0
 15 12  1  0  0  0  0
 16  8  1  0  0  0  0
 17 14  1  0  0  0  0
 18 15  2  0  0  0  0
 19 18  1  0  0  0  0
 20 11  1  0  0  0  0
 21 10  1  0  0  0  0
 22 16  1  0  0  0  0
 23 22  1  0  0  0  0
 24 19  1  0  0  0  0
 25 20  1  0  0  0  0
 10  6  1  0  0  0  0
  5  3  1  0  0  0  0
 19 17  2  0  0  0  0
 20 23  1  0  0  0  0
M  END
>  <Mol_ID> (4,338)
4338

>  <Formula> (4,338)
C19H24N4OS

>  <MolWeight> (4,338)
356.48506

>  <COMPOUND_NAME> (4,338)
WAY-275841

>  <BAR_CODE_NO> (4,338)
393789

$$$$
WAY-275846
csChFnd80/06171916322D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -2.4833    2.7833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5000    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208    2.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6958    3.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7250    1.6833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2875    1.7208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2583    3.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7583    2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958    2.3208    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.0083    1.5958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292    3.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4208    3.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7875    0.1458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583    3.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0625    4.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2875    3.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8917    4.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4375    0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8125    1.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0375    0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042    0.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167    5.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  2  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  2  2  0  0  0  0
  7  1  1  0  0  0  0
  8  7  2  0  0  0  0
  9  3  1  0  0  0  0
 10  9  1  0  0  0  0
 11  9  1  0  0  0  0
 12  4  1  0  0  0  0
 13 23  1  0  0  0  0
 14 11  2  0  0  0  0
 15 11  1  0  0  0  0
 16 15  2  0  0  0  0
 17 14  1  0  0  0  0
 18 16  1  0  0  0  0
 19 10  1  0  0  0  0
 20 10  1  0  0  0  0
 21  8  1  0  0  0  0
 22 19  1  0  0  0  0
 23 20  1  0  0  0  0
 24 18  1  0  0  0  0
  8  6  1  0  0  0  0
  5  3  1  0  0  0  0
 22 13  1  0  0  0  0
 18 17  2  0  0  0  0
M  END
>  <Mol_ID> (4,339)
4339

>  <Formula> (4,339)
C17H20N4O2S

>  <MolWeight> (4,339)
344.4313

>  <COMPOUND_NAME> (4,339)
WAY-275846

>  <BAR_CODE_NO> (4,339)
393793

$$$$
WAY-275848
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -2.4833    2.7833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5000    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208    2.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6958    3.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7250    1.6833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2875    1.7208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2583    3.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7583    2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958    2.3208    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.0083    1.5958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7875    0.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292    3.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4208    3.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167    1.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583    3.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0375    0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0625    4.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2875    3.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8917    4.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1792   -0.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167    5.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  2  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  2  2  0  0  0  0
  7  1  1  0  0  0  0
  8  7  2  0  0  0  0
  9  3  1  0  0  0  0
 10  9  1  0  0  0  0
 11 19  1  0  0  0  0
 12  9  1  0  0  0  0
 13  4  1  0  0  0  0
 14 10  1  0  0  0  0
 15 10  1  0  0  0  0
 16 12  2  0  0  0  0
 17 12  1  0  0  0  0
 18 14  1  0  0  0  0
 19 15  1  0  0  0  0
 20 17  2  0  0  0  0
 21 16  1  0  0  0  0
 22 20  1  0  0  0  0
 23  8  1  0  0  0  0
 24 11  1  0  0  0  0
 25 22  1  0  0  0  0
  8  6  1  0  0  0  0
  5  3  1  0  0  0  0
 18 11  1  0  0  0  0
 22 21  2  0  0  0  0
M  END
>  <Mol_ID> (4,340)
4340

>  <Formula> (4,340)
C18H23N5OS

>  <MolWeight> (4,340)
357.47312

>  <COMPOUND_NAME> (4,340)
WAY-275848

>  <BAR_CODE_NO> (4,340)
393795

$$$$
WAY-275857
csChFnd80/06171916322D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -2.4833    2.7833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5000    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208    2.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6958    3.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7250    1.6833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2875    1.7208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2583    3.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7583    2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958    2.3208    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.0083    1.5958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292    3.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4208    3.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583    3.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8625    2.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042    4.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2875    3.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0750    4.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292    5.1167    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.8125    1.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042    0.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458    0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7792    0.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  2  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  2  2  0  0  0  0
  7  1  1  0  0  0  0
  8  7  2  0  0  0  0
  9  3  1  0  0  0  0
 10  9  1  0  0  0  0
 11  9  1  0  0  0  0
 12  4  1  0  0  0  0
 13 11  1  0  0  0  0
 14 11  2  0  0  0  0
 15 16  2  0  0  0  0
 16 14  1  0  0  0  0
 17 13  2  0  0  0  0
 18 15  1  0  0  0  0
 19 10  1  0  0  0  0
 20 10  1  0  0  0  0
 21  8  1  0  0  0  0
 22 19  1  0  0  0  0
 23 20  1  0  0  0  0
 24 23  1  0  0  0  0
  8  6  1  0  0  0  0
  5  3  1  0  0  0  0
 17 15  1  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <Mol_ID> (4,341)
4341

>  <Formula> (4,341)
C17H19ClN4OS

>  <MolWeight> (4,341)
362.87696

>  <COMPOUND_NAME> (4,341)
WAY-275857

>  <BAR_CODE_NO> (4,341)
393803

$$$$
WAY-275858
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -2.4833    2.7833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5000    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208    2.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6958    3.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7250    1.6833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2875    1.7208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2583    3.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083    1.5958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958    2.3208    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.7583    2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292    3.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4208    3.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8625    2.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583    3.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8125    1.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042    4.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2875    3.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0750    4.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292    5.1167    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0375    0.1708    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -4.5833    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042    0.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7875    0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4625   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  2  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  2  2  0  0  0  0
  7  1  1  0  0  0  0
  8  9  1  0  0  0  0
  9  3  1  0  0  0  0
 10  7  2  0  0  0  0
 11  8  1  0  0  0  0
 12  9  1  0  0  0  0
 13  4  1  0  0  0  0
 14 12  2  0  0  0  0
 15 12  1  0  0  0  0
 16  8  1  0  0  0  0
 17 19  1  0  0  0  0
 18 14  1  0  0  0  0
 19 15  2  0  0  0  0
 20 17  1  0  0  0  0
 21 11  1  0  0  0  0
 22 10  1  0  0  0  0
 23 16  1  0  0  0  0
 24 23  1  0  0  0  0
 25 21  1  0  0  0  0
 10  6  1  0  0  0  0
  5  3  1  0  0  0  0
 17 18  2  0  0  0  0
 21 24  1  0  0  0  0
M  END
>  <Mol_ID> (4,342)
4342

>  <Formula> (4,342)
C18H21ClN4OS

>  <MolWeight> (4,342)
376.90354

>  <COMPOUND_NAME> (4,342)
WAY-275858

>  <BAR_CODE_NO> (4,342)
393804

$$$$
WAY-275859
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -2.4833    2.7833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5000    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208    2.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6958    3.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7250    1.6833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2875    1.7208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2583    3.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7583    2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958    2.3208    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.0083    1.5958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292    3.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4208    3.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167    1.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583    3.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8625    2.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042    4.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2875    3.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0750    4.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0375    0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292    5.1167    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917    0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1792   -0.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  2  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  2  2  0  0  0  0
  7  1  1  0  0  0  0
  8  7  2  0  0  0  0
  9  3  1  0  0  0  0
 10  9  1  0  0  0  0
 11  9  1  0  0  0  0
 12  4  1  0  0  0  0
 13 10  1  0  0  0  0
 14 10  1  0  0  0  0
 15 11  1  0  0  0  0
 16 11  2  0  0  0  0
 17 18  2  0  0  0  0
 18 16  1  0  0  0  0
 19 15  2  0  0  0  0
 20 14  1  0  0  0  0
 21 13  1  0  0  0  0
 22 17  1  0  0  0  0
 23  8  1  0  0  0  0
 24 20  1  0  0  0  0
 25 24  1  0  0  0  0
  8  6  1  0  0  0  0
  5  3  1  0  0  0  0
 19 17  1  0  0  0  0
 21 24  1  0  0  0  0
M  END
>  <Mol_ID> (4,343)
4343

>  <Formula> (4,343)
C18H21ClN4OS

>  <MolWeight> (4,343)
376.90354

>  <COMPOUND_NAME> (4,343)
WAY-275859

>  <BAR_CODE_NO> (4,343)
393805

$$$$
WAY-275868
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -2.4833    2.7833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5000    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208    2.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6958    3.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7250    1.6833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2875    1.7208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2583    3.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7583    2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958    2.3208    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.7917    0.1458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1792   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083    1.5958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292    3.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458    0.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333    0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167    1.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4208    3.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8625    2.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583    3.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542   -1.2792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042    4.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2875    3.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0750    4.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292    5.1167    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1375   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7167   -2.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  2  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  2  2  0  0  0  0
  7  1  1  0  0  0  0
  8  7  2  0  0  0  0
  9  3  1  0  0  0  0
 10 14  1  0  0  0  0
 11 10  1  0  0  0  0
 12  9  1  0  0  0  0
 13  9  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  1  0  0  0  0
 16 12  1  0  0  0  0
 17 12  1  0  0  0  0
 18  4  1  0  0  0  0
 19 11  2  0  0  0  0
 20 13  2  0  0  0  0
 21 13  1  0  0  0  0
 22 11  1  0  0  0  0
 23 25  1  0  0  0  0
 24 20  1  0  0  0  0
 25 21  2  0  0  0  0
 26 23  1  0  0  0  0
 27  8  1  0  0  0  0
 28 22  1  0  0  0  0
 29 28  1  0  0  0  0
  8  6  1  0  0  0  0
  5  3  1  0  0  0  0
 23 24  2  0  0  0  0
 15 10  1  0  0  0  0
M  END
>  <Mol_ID> (4,344)
4344

>  <Formula> (4,344)
C19H22ClN5O3S

>  <MolWeight> (4,344)
435.92768

>  <COMPOUND_NAME> (4,344)
WAY-275868

>  <BAR_CODE_NO> (4,344)
393814

$$$$
WAY-275870
csChFnd80/06171916322D

 31 35  0  0  0  0  0  0  0  0999 V2000
   -2.4833    2.7833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5000    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208    2.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6958    3.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7250    1.6833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2875    1.7208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2583    3.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7583    2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958    2.3208    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.0083    1.5958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7792    0.1458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292    3.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4375    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167    1.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042    0.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458    0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4208    3.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7417   -1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9917   -0.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583    3.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8625    2.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042    4.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9542   -2.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0750    4.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2875    3.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792   -1.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1292   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292    5.1167    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3417   -2.7417    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  2  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  2  2  0  0  0  0
  7  1  1  0  0  0  0
  8  7  2  0  0  0  0
  9  3  1  0  0  0  0
 10  9  1  0  0  0  0
 11 16  1  0  0  0  0
 12 11  1  0  0  0  0
 13  9  1  0  0  0  0
 14 10  1  0  0  0  0
 15 10  1  0  0  0  0
 16 15  1  0  0  0  0
 17 14  1  0  0  0  0
 18  4  1  0  0  0  0
 19 12  2  0  0  0  0
 20 12  1  0  0  0  0
 21 13  1  0  0  0  0
 22 13  2  0  0  0  0
 23 26  2  0  0  0  0
 24 27  1  0  0  0  0
 25 21  2  0  0  0  0
 26 22  1  0  0  0  0
 27 20  2  0  0  0  0
 28 19  1  0  0  0  0
 29 23  1  0  0  0  0
 30 24  1  0  0  0  0
 31  8  1  0  0  0  0
  8  6  1  0  0  0  0
  5  3  1  0  0  0  0
 25 23  1  0  0  0  0
 17 11  1  0  0  0  0
 28 24  2  0  0  0  0
M  END
>  <Mol_ID> (4,345)
4345

>  <Formula> (4,345)
C22H21ClFN5OS

>  <MolWeight> (4,345)
457.9514432

>  <COMPOUND_NAME> (4,345)
WAY-275870

>  <BAR_CODE_NO> (4,345)
393816

$$$$
WAY-275896
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -2.4833    2.7833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5000    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208    2.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6958    3.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7250    1.6833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2875    1.7208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2583    3.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083    1.5958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958    2.3208    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.7583    2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292    3.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4208    3.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667    2.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583    3.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8125    1.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792    4.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2875    3.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0625    4.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0375    0.1708    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -4.5833    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042    5.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042    0.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7875    0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167    5.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4625   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  2  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  2  2  0  0  0  0
  7  1  1  0  0  0  0
  8  9  1  0  0  0  0
  9  3  1  0  0  0  0
 10  7  2  0  0  0  0
 11  8  1  0  0  0  0
 12  9  1  0  0  0  0
 13  4  1  0  0  0  0
 14 12  2  0  0  0  0
 15 12  1  0  0  0  0
 16  8  1  0  0  0  0
 17 19  1  0  0  0  0
 18 14  1  0  0  0  0
 19 15  2  0  0  0  0
 20 11  1  0  0  0  0
 21 10  1  0  0  0  0
 22 17  1  0  0  0  0
 23 16  1  0  0  0  0
 24 23  1  0  0  0  0
 25 22  1  0  0  0  0
 26 20  1  0  0  0  0
 10  6  1  0  0  0  0
  5  3  1  0  0  0  0
 17 18  2  0  0  0  0
 20 24  1  0  0  0  0
M  END
>  <Mol_ID> (4,346)
4346

>  <Formula> (4,346)
C19H24N4O2S

>  <MolWeight> (4,346)
372.48446

>  <COMPOUND_NAME> (4,346)
WAY-275896

>  <BAR_CODE_NO> (4,346)
393842

$$$$
WAY-275906
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -2.4833    2.7833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5000    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208    2.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6958    3.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7250    1.6833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2875    1.7208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2583    3.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7583    2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958    2.3208    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.7917    0.1458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1792   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083    1.5958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292    3.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458    0.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333    0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167    1.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4208    3.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667    2.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583    3.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542   -1.2792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792    4.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2875    3.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0625    4.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042    5.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1375   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167    5.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7167   -2.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  2  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  2  2  0  0  0  0
  7  1  1  0  0  0  0
  8  7  2  0  0  0  0
  9  3  1  0  0  0  0
 10 14  1  0  0  0  0
 11 10  1  0  0  0  0
 12  9  1  0  0  0  0
 13  9  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  1  0  0  0  0
 16 12  1  0  0  0  0
 17 12  1  0  0  0  0
 18  4  1  0  0  0  0
 19 11  2  0  0  0  0
 20 13  2  0  0  0  0
 21 13  1  0  0  0  0
 22 11  1  0  0  0  0
 23 25  1  0  0  0  0
 24 20  1  0  0  0  0
 25 21  2  0  0  0  0
 26  8  1  0  0  0  0
 27 23  1  0  0  0  0
 28 22  1  0  0  0  0
 29 27  1  0  0  0  0
 30 28  1  0  0  0  0
  8  6  1  0  0  0  0
  5  3  1  0  0  0  0
 23 24  2  0  0  0  0
 15 10  1  0  0  0  0
M  END
>  <Mol_ID> (4,347)
4347

>  <Formula> (4,347)
C20H25N5O4S

>  <MolWeight> (4,347)
431.5086

>  <COMPOUND_NAME> (4,347)
WAY-275906

>  <BAR_CODE_NO> (4,347)
393852

$$$$
WAY-275910
csChFnd80/06171916322D

 32 36  0  0  0  0  0  0  0  0999 V2000
   -2.4833    2.7833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5000    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208    2.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6958    3.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7250    1.6833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2875    1.7208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2583    3.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7583    2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958    2.3208    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.0083    1.5958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7792    0.1458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292    3.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4375    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167    1.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042    0.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458    0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4208    3.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7417   -1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9917   -0.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583    3.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667    2.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9542   -2.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792    4.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792   -1.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1292   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0625    4.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2875    3.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3417   -2.7417    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042    5.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167    5.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  2  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  2  2  0  0  0  0
  7  1  1  0  0  0  0
  8  7  2  0  0  0  0
  9  3  1  0  0  0  0
 10  9  1  0  0  0  0
 11 16  1  0  0  0  0
 12 11  1  0  0  0  0
 13  9  1  0  0  0  0
 14 10  1  0  0  0  0
 15 10  1  0  0  0  0
 16 15  1  0  0  0  0
 17 14  1  0  0  0  0
 18  4  1  0  0  0  0
 19 12  2  0  0  0  0
 20 12  1  0  0  0  0
 21 13  1  0  0  0  0
 22 13  2  0  0  0  0
 23 25  1  0  0  0  0
 24 28  2  0  0  0  0
 25 20  2  0  0  0  0
 26 19  1  0  0  0  0
 27 21  2  0  0  0  0
 28 22  1  0  0  0  0
 29 23  1  0  0  0  0
 30  8  1  0  0  0  0
 31 24  1  0  0  0  0
 32 31  1  0  0  0  0
  8  6  1  0  0  0  0
  5  3  1  0  0  0  0
 27 24  1  0  0  0  0
 17 11  1  0  0  0  0
 26 23  2  0  0  0  0
M  END
>  <Mol_ID> (4,348)
4348

>  <Formula> (4,348)
C23H24FN5O2S

>  <MolWeight> (4,348)
453.5323632

>  <COMPOUND_NAME> (4,348)
WAY-275910

>  <BAR_CODE_NO> (4,348)
393856

$$$$
WAY-276179
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
   -2.4250    2.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4208    1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1375    1.3250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8458    2.5583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6458    2.8208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8458    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1375    2.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6375    1.4875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1583    2.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333    2.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792    1.4583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958    3.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5625    1.3208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167    0.0250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1375    3.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1375    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5625    2.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042    1.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3250    0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9458    4.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0917    0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0708    5.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6333    6.0250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.7625    4.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7083    4.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3208    4.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2625    5.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292   -0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3417   -2.1125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9250   -1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  7  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  5  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12  5  1  0  0  0  0
 13  6  2  0  0  0  0
 14 22  1  0  0  0  0
 15  7  2  0  0  0  0
 16  3  1  0  0  0  0
 17  4  1  0  0  0  0
 18 11  1  0  0  0  0
 19 11  1  0  0  0  0
 20 12  1  0  0  0  0
 21 18  1  0  0  0  0
 22 19  1  0  0  0  0
 23 28  2  0  0  0  0
 24 23  1  0  0  0  0
 25 20  1  0  0  0  0
 26 20  2  0  0  0  0
 27 25  2  0  0  0  0
 28 26  1  0  0  0  0
 29 14  1  0  0  0  0
 30 31  1  0  0  0  0
 31 29  1  0  0  0  0
  8  9  2  0  0  0  0
  3  6  1  0  0  0  0
 27 23  1  0  0  0  0
 21 14  1  0  0  0  0
M  END
>  <Mol_ID> (4,349)
4349

>  <Formula> (4,349)
C21H27ClN6O3

>  <MolWeight> (4,349)
446.93048

>  <COMPOUND_NAME> (4,349)
WAY-276179

>  <BAR_CODE_NO> (4,349)
394125

$$$$
WAY-276203
csChFnd80/06171916322D

 35 39  0  0  0  0  0  0  0  0999 V2000
   -2.4250    2.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4208    1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1375    1.3250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8458    2.5583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6458    2.8208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8458    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1375    2.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6375    1.4875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1583    2.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292   -0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9125    0.0208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9125   -1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333    2.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792    1.4583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958    3.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5625    1.3208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1375    3.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542   -2.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1500   -0.6792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000   -1.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0875    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6500   -2.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708   -2.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9500    4.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1375    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5625    2.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333    0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042    1.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6958    4.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2458    5.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3083    4.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7583    4.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0500    5.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9958    6.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  7  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  5  1  0  0  0  0
 10 11  1  0  0  0  0
 11 21  1  0  0  0  0
 12 10  1  0  0  0  0
 13  9  1  0  0  0  0
 14 13  1  0  0  0  0
 15  5  1  0  0  0  0
 16  6  2  0  0  0  0
 17  7  2  0  0  0  0
 18 12  1  0  0  0  0
 19 10  2  0  0  0  0
 20 12  2  0  0  0  0
 21 29  1  0  0  0  0
 22 28  1  0  0  0  0
 23 18  1  0  0  0  0
 24 20  1  0  0  0  0
 25 15  1  0  0  0  0
 26  3  1  0  0  0  0
 27  4  1  0  0  0  0
 28 14  1  0  0  0  0
 29 14  1  0  0  0  0
 30 25  2  0  0  0  0
 31 30  1  0  0  0  0
 32 33  2  0  0  0  0
 33 25  1  0  0  0  0
 34 32  1  0  0  0  0
 35 31  1  0  0  0  0
  8  9  2  0  0  0  0
  3  6  1  0  0  0  0
 34 31  2  0  0  0  0
 22 11  1  0  0  0  0
 24 23  2  0  0  0  0
M  END
>  <Mol_ID> (4,350)
4350

>  <Formula> (4,350)
C25H28N6O4

>  <MolWeight> (4,350)
476.52762

>  <COMPOUND_NAME> (4,350)
WAY-276203

>  <BAR_CODE_NO> (4,350)
394149

$$$$
WAY-276230
csChFnd80/06171916322D

 34 38  0  0  0  0  0  0  0  0999 V2000
   -2.4250    2.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4208    1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1375    1.3250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8458    2.5583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6458    2.8208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8458    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1375    2.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6375    1.4875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1583    2.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9125    0.0250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333    2.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792    1.4583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958    3.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5625    1.3208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1375    3.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792    0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167   -0.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1375    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5625    2.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3250    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042    1.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9500    4.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0500    5.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7583    4.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6958    4.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3083    4.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2458    5.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9125   -1.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1417   -0.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6000    6.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5542   -1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167   -2.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1417   -2.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  7  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  5  1  0  0  0  0
 10 16  1  0  0  0  0
 11  9  1  0  0  0  0
 12 11  1  0  0  0  0
 13  5  1  0  0  0  0
 14  6  2  0  0  0  0
 15  7  2  0  0  0  0
 16 22  1  0  0  0  0
 17 21  1  0  0  0  0
 18 10  1  0  0  0  0
 19  3  1  0  0  0  0
 20  4  1  0  0  0  0
 21 12  1  0  0  0  0
 22 12  1  0  0  0  0
 23 13  1  0  0  0  0
 24 28  2  0  0  0  0
 25 23  1  0  0  0  0
 26 23  2  0  0  0  0
 27 25  2  0  0  0  0
 28 26  1  0  0  0  0
 29 18  2  0  0  0  0
 30 18  1  0  0  0  0
 31 24  1  0  0  0  0
 32 30  2  0  0  0  0
 33 29  1  0  0  0  0
 34 32  1  0  0  0  0
  8  9  2  0  0  0  0
  3  6  1  0  0  0  0
 24 27  1  0  0  0  0
 17 10  1  0  0  0  0
 33 34  2  0  0  0  0
M  END
>  <Mol_ID> (4,351)
4351

>  <Formula> (4,351)
C26H30N6O2

>  <MolWeight> (4,351)
458.5554

>  <COMPOUND_NAME> (4,351)
WAY-276230

>  <BAR_CODE_NO> (4,351)
394176

$$$$
WAY-276293
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
    4.5500   -6.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5542   -7.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8292   -7.6667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1250   -6.4250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3292   -6.1667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1250   -7.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8292   -6.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3417   -7.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8250   -6.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9042   -8.9667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5875   -5.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6542   -6.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0667   -7.5292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3167   -9.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4042   -7.6667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8292   -5.1792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3875   -5.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9000  -10.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0667   -8.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3167   -8.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9542   -5.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8292   -8.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4042   -6.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6625   -8.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8917   -7.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3250  -11.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6292   -4.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9125  -11.8292    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.1417   -9.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5625  -10.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1500  -11.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  7  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  5  1  0  0  0  0
 10 20  1  0  0  0  0
 11  5  1  0  0  0  0
 12  9  1  0  0  0  0
 13 12  1  0  0  0  0
 14 10  1  0  0  0  0
 15  6  2  0  0  0  0
 16  7  2  0  0  0  0
 17 11  1  0  0  0  0
 18 14  2  0  0  0  0
 19 24  1  0  0  0  0
 20 25  1  0  0  0  0
 21 17  2  0  0  0  0
 22  3  1  0  0  0  0
 23  4  1  0  0  0  0
 24 13  1  0  0  0  0
 25 13  1  0  0  0  0
 26 18  1  0  0  0  0
 27 17  1  0  0  0  0
 28 26  1  0  0  0  0
 29 14  1  0  0  0  0
 30 29  2  0  0  0  0
 31 30  1  0  0  0  0
  8  9  2  0  0  0  0
  3  6  1  0  0  0  0
 19 10  1  0  0  0  0
 26 31  2  0  0  0  0
M  END
>  <Mol_ID> (4,352)
4352

>  <Formula> (4,352)
C20H24ClN7O3

>  <MolWeight> (4,352)
445.90266

>  <COMPOUND_NAME> (4,352)
WAY-276293

>  <BAR_CODE_NO> (4,352)
394239

$$$$
WAY-276332
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -2.4208    1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4250    2.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1375    1.3250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8458    2.5583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8458    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1375    2.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6375    1.4875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1583    2.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6458    2.8208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792    1.4583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333    2.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5625    1.3208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1375    3.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3250    0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000    1.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1375    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5625    2.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958    3.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0917    0.0250    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.3167    0.7458    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.9167    0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9500    4.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2583    5.5917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7000    4.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208   -0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1417    0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  2  0  0  0  0
  9  2  1  0  0  0  0
 10 11  1  0  0  0  0
 11  8  1  0  0  0  0
 12  5  2  0  0  0  0
 13  6  2  0  0  0  0
 14 10  1  0  0  0  0
 15 10  1  0  0  0  0
 16  3  1  0  0  0  0
 17  4  1  0  0  0  0
 18  9  1  0  0  0  0
 19 14  1  0  0  0  0
 20 15  1  0  0  0  0
 21 20  1  0  0  0  0
 22 18  1  0  0  0  0
 23 24  1  0  0  0  0
 24 22  1  0  0  0  0
 25 19  1  0  0  0  0
 26 20  1  0  0  0  0
  8  9  1  0  0  0  0
  6  4  1  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <Mol_ID> (4,353)
4353

>  <Formula> (4,353)
C18H29N5O3

>  <MolWeight> (4,353)
363.45456

>  <COMPOUND_NAME> (4,353)
WAY-276332

>  <BAR_CODE_NO> (4,353)
394278

$$$$
WAY-276357
csChFnd80/06171916322D

 28 30  0  0  0  0  0  0  0  0999 V2000
    5.1875   -9.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1792   -8.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4667   -9.7542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7542   -8.5167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7542   -9.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4667   -8.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9750   -9.5917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9667   -8.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4542   -8.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2167   -7.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2875   -8.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0375   -9.7542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4667   -7.2667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7042   -9.6167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4667  -10.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0375   -8.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5292   -9.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6625   -6.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9542  -10.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3000  -10.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9125   -6.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5500  -11.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7750  -10.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7250   -5.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3542   -5.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2000  -11.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9750  -11.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8042  -11.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  7  2  0  0  0  0
 10  8  1  0  0  0  0
 11  9  1  0  0  0  0
 12  5  2  0  0  0  0
 13  6  2  0  0  0  0
 14 11  1  0  0  0  0
 15  3  1  0  0  0  0
 16  4  1  0  0  0  0
 17 14  1  0  0  0  0
 18 10  1  0  0  0  0
 19 17  1  0  0  0  0
 20 14  1  0  0  0  0
 21 18  1  0  0  0  0
 22 19  2  0  0  0  0
 23 19  1  0  0  0  0
 24 21  1  0  0  0  0
 25 21  1  0  0  0  0
 26 23  2  0  0  0  0
 27 22  1  0  0  0  0
 28 26  1  0  0  0  0
  9  8  1  0  0  0  0
  6  4  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <Mol_ID> (4,354)
4354

>  <Formula> (4,354)
C21H29N5O2

>  <MolWeight> (4,354)
383.48726

>  <COMPOUND_NAME> (4,354)
WAY-276357

>  <BAR_CODE_NO> (4,354)
394303

$$$$
WAY-276364
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -2.2958    1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3000    2.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0125    1.2125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7208    2.4458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7208    1.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0125    2.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5125    1.3750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5208    2.7083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333    2.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708    3.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083    2.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042    1.3458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4375    1.2083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0417   -0.0792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0125    3.6875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0125    0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4375    2.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083    0.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0250    1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4417    0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2125   -0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8250    4.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542   -0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5750    4.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0500   -1.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7708    5.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1333    5.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  7  2  0  0  0  0
 10  8  1  0  0  0  0
 11  9  1  0  0  0  0
 12 11  1  0  0  0  0
 13  5  2  0  0  0  0
 14 20  1  0  0  0  0
 15  6  2  0  0  0  0
 16  3  1  0  0  0  0
 17  4  1  0  0  0  0
 18 12  1  0  0  0  0
 19 12  1  0  0  0  0
 20 19  1  0  0  0  0
 21 18  1  0  0  0  0
 22 10  1  0  0  0  0
 23 14  1  0  0  0  0
 24 22  1  0  0  0  0
 25 23  1  0  0  0  0
 26 24  1  0  0  0  0
 27 24  1  0  0  0  0
  9  8  1  0  0  0  0
  6  4  1  0  0  0  0
 21 14  1  0  0  0  0
M  END
>  <Mol_ID> (4,355)
4355

>  <Formula> (4,355)
C19H32N6O2

>  <MolWeight> (4,355)
376.49638

>  <COMPOUND_NAME> (4,355)
WAY-276364

>  <BAR_CODE_NO> (4,355)
394310

$$$$
WAY-276367
csChFnd80/06171916322D

 30 32  0  0  0  0  0  0  0  0999 V2000
   -2.2958    1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3000    2.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0125    1.2125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7208    2.4458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7208    1.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0125    2.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5125    1.3750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5208    2.7083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333    2.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0417   -0.0875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708    3.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083    2.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042    1.3458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4375    1.2083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0125    3.6875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2750   -0.7917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4500    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2125   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0125    0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4375    2.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0250    1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0500   -1.5125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8250    4.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5750    4.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542   -2.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7708    5.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1333    5.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0542   -2.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  7  2  0  0  0  0
 10 18  1  0  0  0  0
 11 10  1  0  0  0  0
 12  8  1  0  0  0  0
 13  9  1  0  0  0  0
 14 13  1  0  0  0  0
 15  5  2  0  0  0  0
 16  6  2  0  0  0  0
 17 11  2  0  0  0  0
 18 23  1  0  0  0  0
 19 22  1  0  0  0  0
 20  3  1  0  0  0  0
 21  4  1  0  0  0  0
 22 14  1  0  0  0  0
 23 14  1  0  0  0  0
 24 11  1  0  0  0  0
 25 12  1  0  0  0  0
 26 25  1  0  0  0  0
 27 24  1  0  0  0  0
 28 26  1  0  0  0  0
 29 26  1  0  0  0  0
 30 27  1  0  0  0  0
  9  8  1  0  0  0  0
  6  4  1  0  0  0  0
 19 10  1  0  0  0  0
M  END
>  <Mol_ID> (4,356)
4356

>  <Formula> (4,356)
C20H32N6O4

>  <MolWeight> (4,356)
420.50588

>  <COMPOUND_NAME> (4,356)
WAY-276367

>  <BAR_CODE_NO> (4,356)
394313

$$$$
WAY-276376
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
    6.2618    6.2368    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6984    6.2368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9821    6.6490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2701    5.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9821    5.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4105    6.6615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6984    5.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1226    6.2493    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4872    5.1499    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.4830    6.4866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.8245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9739    7.4736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4063    7.4778    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8347    6.6615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8305    7.4985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5426    7.9067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2672    6.6740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5551    6.2618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2589    7.5110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5343    8.7312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  2  1  0  0  0  0
  7  5  1  0  0  0  0
  8  6  1  0  0  0  0
  9  4  1  0  0  0  0
 10  1  1  0  0  0  0
 11 10  2  0  0  0  0
 12  3  2  0  0  0  0
 13  6  2  0  0  0  0
 14  8  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 18  1  0  0  0  0
 18 14  2  0  0  0  0
 19 17  2  0  0  0  0
 20 16  1  0  0  0  0
 11  9  1  0  0  0  0
  2  7  2  0  0  0  0
 19 16  1  0  0  0  0
M  END
>  <Mol_ID> (4,357)
4357

>  <Formula> (4,357)
C14H11N3O2S

>  <MolWeight> (4,357)
285.32104

>  <COMPOUND_NAME> (4,357)
WAY-276376

>  <BAR_CODE_NO> (4,357)
394323

$$$$
WAY-276416
csChFnd80/06171916322D

 23 26  0  0  0  0  0  0  0  0999 V2000
   -2.4083    3.8833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8500    4.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    4.2042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.0708    5.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2583    5.2000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.2375    3.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0375    4.3917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708    3.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4708    5.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8500    2.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4708    2.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083    1.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708    6.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2958    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6875    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7375    0.6708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9125    6.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5708    4.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8583    2.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3500    0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    2.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2875    3.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2958    2.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  2  0  0  0  0
  8  3  1  0  0  0  0
  9  4  1  0  0  0  0
 10  6  2  0  0  0  0
 11  6  1  0  0  0  0
 12 14  1  0  0  0  0
 13  5  1  0  0  0  0
 14 11  2  0  0  0  0
 15 10  1  0  0  0  0
 16 12  1  0  0  0  0
 17  9  1  0  0  0  0
 18  8  2  0  0  0  0
 19  8  1  0  0  0  0
 20 16  1  0  0  0  0
 21 19  2  0  0  0  0
 22 18  1  0  0  0  0
 23 21  1  0  0  0  0
  5  4  1  0  0  0  0
 15 12  2  0  0  0  0
 13 17  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (4,358)
4358

>  <Formula> (4,358)
C19H20N2O2

>  <MolWeight> (4,358)
308.3743

>  <COMPOUND_NAME> (4,358)
WAY-276416

>  <BAR_CODE_NO> (4,358)
394365

$$$$
WAY-276430
csChFnd80/06171916322D

 22 25  0  0  0  0  0  0  0  0999 V2000
   -2.4083    3.8833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    4.2042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.8500    4.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0708    5.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2583    5.2000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.8708    3.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2375    3.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6125    4.1292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0375    4.3917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9583    2.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1708    3.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7708    2.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4708    5.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8500    2.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4708    2.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083    1.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708    6.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2958    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6875    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7375    0.6708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9125    6.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3500    0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  6  1  0  0  0  0
  9  3  2  0  0  0  0
 10  6  2  0  0  0  0
 11  8  1  0  0  0  0
 12 10  1  0  0  0  0
 13  4  1  0  0  0  0
 14  7  2  0  0  0  0
 15  7  1  0  0  0  0
 16 18  1  0  0  0  0
 17  5  1  0  0  0  0
 18 15  2  0  0  0  0
 19 14  1  0  0  0  0
 20 16  1  0  0  0  0
 21 17  1  0  0  0  0
 22 20  1  0  0  0  0
  5  4  1  0  0  0  0
 19 16  2  0  0  0  0
 21 13  1  0  0  0  0
 12 11  2  0  0  0  0
M  END
>  <Mol_ID> (4,359)
4359

>  <Formula> (4,359)
C17H18N2O2S

>  <MolWeight> (4,359)
314.40202

>  <COMPOUND_NAME> (4,359)
WAY-276430

>  <BAR_CODE_NO> (4,359)
394379

$$$$
WAY-276488
csChFnd80/06171916322D

 22 25  0  0  0  0  0  0  0  0999 V2000
   -2.4000    3.8750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8500    4.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    4.2042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.0708    5.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2583    5.2000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.2333    3.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0375    4.3917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708    3.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4708    5.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8458    2.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4625    2.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8958    1.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1750    6.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2958    2.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6750    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7250    0.6750    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9208    6.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5708    4.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8583    2.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    2.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2875    3.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2958    2.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  2  0  0  0  0
  8  3  1  0  0  0  0
  9  4  1  0  0  0  0
 10  6  2  0  0  0  0
 11  6  1  0  0  0  0
 12 14  1  0  0  0  0
 13  5  1  0  0  0  0
 14 11  2  0  0  0  0
 15 10  1  0  0  0  0
 16 12  1  0  0  0  0
 17  9  1  0  0  0  0
 18  8  2  0  0  0  0
 19  8  1  0  0  0  0
 20 19  2  0  0  0  0
 21 18  1  0  0  0  0
 22 20  1  0  0  0  0
  5  4  1  0  0  0  0
 15 12  2  0  0  0  0
 13 17  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (4,360)
4360

>  <Formula> (4,360)
C18H17FN2O

>  <MolWeight> (4,360)
296.3387832

>  <COMPOUND_NAME> (4,360)
WAY-276488

>  <BAR_CODE_NO> (4,360)
394437

$$$$
WAY-276779
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -1.7583    0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500    1.3208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2875    0.0333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0333    1.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0208    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0083    2.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1625    3.2708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9625    3.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2083    2.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792    4.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9333    0.6750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5250    3.6875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4875    4.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7458    1.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7333   -0.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792    4.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000    4.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2583    5.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4583    1.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4583    0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167    5.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542    5.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  6  1  0  0  0  0
 10  7  1  0  0  0  0
 11  1  2  0  0  0  0
 12  8  2  0  0  0  0
 13 10  1  0  0  0  0
 14  4  1  0  0  0  0
 15  5  1  0  0  0  0
 16 10  2  0  0  0  0
 17 13  1  0  0  0  0
 18 13  2  0  0  0  0
 19 14  2  0  0  0  0
 20 15  2  0  0  0  0
 21 16  1  0  0  0  0
 22 21  2  0  0  0  0
  4  5  2  0  0  0  0
 19 20  1  0  0  0  0
 18 22  1  0  0  0  0
M  END
>  <Mol_ID> (4,361)
4361

>  <Formula> (4,361)
C17H16N2O3

>  <MolWeight> (4,361)
296.32054

>  <COMPOUND_NAME> (4,361)
WAY-276779

>  <BAR_CODE_NO> (4,361)
394728

$$$$
WAY-276780
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -1.7583    0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500    1.3208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2875    0.0333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0333    1.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0208    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0083    2.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9625    3.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2083    2.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9333    0.6750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1625    3.2708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792    4.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5250    3.6875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958    4.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2583    5.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7458    1.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7333   -0.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167    5.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792    4.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5500    5.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8208    6.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4583    1.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4583    0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  8  1  0  0  0  0
  8  6  1  0  0  0  0
  9  1  2  0  0  0  0
 10  7  1  0  0  0  0
 11 10  1  0  0  0  0
 12  7  2  0  0  0  0
 13 11  1  0  0  0  0
 14 13  2  0  0  0  0
 15  4  1  0  0  0  0
 16  5  1  0  0  0  0
 17 18  1  0  0  0  0
 18 11  2  0  0  0  0
 19 17  2  0  0  0  0
 20 14  1  0  0  0  0
 21 15  2  0  0  0  0
 22 16  2  0  0  0  0
  4  5  2  0  0  0  0
 21 22  1  0  0  0  0
 19 14  1  0  0  0  0
M  END
>  <Mol_ID> (4,362)
4362

>  <Formula> (4,362)
C17H16N2O3

>  <MolWeight> (4,362)
296.32054

>  <COMPOUND_NAME> (4,362)
WAY-276780

>  <BAR_CODE_NO> (4,362)
394729

$$$$
WAY-323699
csChFnd80/06171916322D

 22 25  0  0  0  0  0  0  0  0999 V2000
    4.2000   -2.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5875   -2.4875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.9500   -2.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667   -2.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8500   -3.2667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.0292   -2.8375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6500   -3.4500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5167   -3.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1500   -1.8792    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.1792   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2875   -2.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6167   -1.5667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.9000   -1.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2875   -1.8167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1792   -4.5792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0667   -1.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4542   -0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000   -0.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8375   -0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2042    0.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    0.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1500    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  7  1  0  0  0  0
  6  1  1  0  0  0  0
  7  1  1  0  0  0  0
  8 10  1  0  0  0  0
  9  3  1  0  0  0  0
 10  5  1  0  0  0  0
 11  6  1  0  0  0  0
 12  3  1  0  0  0  0
 13  9  1  0  0  0  0
 14  4  2  0  0  0  0
 15 10  2  0  0  0  0
 16 11  2  0  0  0  0
 17 13  2  0  0  0  0
 18 13  1  0  0  0  0
 19 18  2  0  0  0  0
 20 17  1  0  0  0  0
 21 19  1  0  0  0  0
 22 21  1  0  0  0  0
 11 12  1  0  0  0  0
  9  2  1  0  0  0  0
  4  8  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (4,363)
4363

>  <Formula> (4,363)
C15H12N2O3S2

>  <MolWeight> (4,363)
332.39738

>  <COMPOUND_NAME> (4,363)
WAY-323699

>  <BAR_CODE_NO> (4,363)
90466597

$$$$
WAY-338393
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
   10.2542  -10.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2542   -9.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6792  -11.7667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6792   -8.4292    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.6792   -6.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1167  -10.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6792   -3.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8250   -8.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8250  -11.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2375   -4.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1375   -4.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3792   -9.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3667  -10.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2542   -5.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1375   -5.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1167   -9.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9417   -8.4542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9417  -11.7667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5667  -11.7667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8000   -3.4792    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   11.6667   -1.7875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5667   -3.4417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5125  -10.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5125   -9.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2292   -0.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -4.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2083    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  3  1  0  0  0  0
  7 11  2  0  0  0  0
  8  2  1  0  0  0  0
  9  1  1  0  0  0  0
 10 14  2  0  0  0  0
 11 15  1  0  0  0  0
 12 13  1  0  0  0  0
 13  9  2  0  0  0  0
 14  5  1  0  0  0  0
 15  5  2  0  0  0  0
 16  6  1  0  0  0  0
 17 12  1  0  0  0  0
 18 13  1  0  0  0  0
 19  6  2  0  0  0  0
 20 10  1  0  0  0  0
 21  7  1  0  0  0  0
 22 11  1  0  0  0  0
 23 18  1  0  0  0  0
 24 23  1  0  0  0  0
 25 21  1  0  0  0  0
 26 22  1  0  0  0  0
 27 25  1  0  0  0  0
 12  8  2  0  0  0  0
 16  4  1  0  0  0  0
 24 17  1  0  0  0  0
 10  7  1  0  0  0  0
M  END
>  <Mol_ID> (4,364)
4364

>  <Formula> (4,364)
C20H20BrNO5

>  <MolWeight> (4,364)
434.2805

>  <COMPOUND_NAME> (4,364)
WAY-338393

>  <BAR_CODE_NO> (4,364)
313394

$$$$
WAY-338394
csChFnd80/06171916322D

 23 26  0  0  0  0  0  0  0  0999 V2000
   11.4750  -10.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4750   -8.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9750  -11.0542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9750   -7.5542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   14.4917  -10.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9750   -7.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9750  -11.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4667   -8.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4500  -10.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4917   -8.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9750   -5.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9750   -7.5542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9417  -11.0250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -11.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5000   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4750   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9750   -2.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9417   -0.5875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.5000   -3.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4667   -3.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4500   -8.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4417  -10.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4417    0.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  9  1  0  0  0  0
  9  7  2  0  0  0  0
 10  5  1  0  0  0  0
 11  4  1  0  0  0  0
 12  8  1  0  0  0  0
 13  9  1  0  0  0  0
 14  5  2  0  0  0  0
 15 11  2  0  0  0  0
 16 11  1  0  0  0  0
 17 20  1  0  0  0  0
 18 17  1  0  0  0  0
 19 15  1  0  0  0  0
 20 16  2  0  0  0  0
 21 22  1  0  0  0  0
 22 13  1  0  0  0  0
 23 18  1  0  0  0  0
  8  6  2  0  0  0  0
 10  4  1  0  0  0  0
 12 21  1  0  0  0  0
 17 19  2  0  0  0  0
M  END
>  <Mol_ID> (4,365)
4365

>  <Formula> (4,365)
C18H17NO3S

>  <MolWeight> (4,365)
327.39748

>  <COMPOUND_NAME> (4,365)
WAY-338394

>  <BAR_CODE_NO> (4,365)
313395

$$$$
WAY-338395
csChFnd80/06171916322D

 23 26  0  0  0  0  0  0  0  0999 V2000
   11.4750   -9.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9750   -8.8625    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.4750  -11.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9750  -12.3542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9750   -7.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4917  -11.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9750   -8.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9750  -12.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4667   -9.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4500  -11.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4917   -9.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5000   -6.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4750   -6.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9750   -8.8667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9417  -12.3417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -12.3542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5000   -4.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4667   -4.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9750   -3.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4417  -11.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4500   -9.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9500   -3.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  1  1  0  0  0  0
  8  3  1  0  0  0  0
  9  7  2  0  0  0  0
 10  9  1  0  0  0  0
 11  2  1  0  0  0  0
 12  5  2  0  0  0  0
 13  5  1  0  0  0  0
 14  9  1  0  0  0  0
 15 10  1  0  0  0  0
 16  6  2  0  0  0  0
 17 12  1  0  0  0  0
 18 13  2  0  0  0  0
 19 18  1  0  0  0  0
 20 21  1  0  0  0  0
 21 14  1  0  0  0  0
 22 12  1  0  0  0  0
 23 18  1  0  0  0  0
 11  6  1  0  0  0  0
  8 10  2  0  0  0  0
 20 15  1  0  0  0  0
 19 17  2  0  0  0  0
M  END
>  <Mol_ID> (4,366)
4366

>  <Formula> (4,366)
C19H19NO3

>  <MolWeight> (4,366)
309.35906

>  <COMPOUND_NAME> (4,366)
WAY-338395

>  <BAR_CODE_NO> (4,366)
313396

$$$$
WAY-338396
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
   10.2542  -11.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2542  -10.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6792  -12.5917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6792   -9.2625    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.1167  -11.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8250   -9.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8250  -12.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6792   -7.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3792  -10.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3667  -11.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1375   -6.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1167  -10.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1375   -5.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9417   -9.2875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9417  -12.5917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6792   -4.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5667  -12.5917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2542   -6.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2375   -5.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5667   -4.2667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6667   -2.6125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5125  -11.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5125  -10.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2292   -1.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -5.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2083   -0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  4  1  0  0  0  0
  9 10  1  0  0  0  0
 10  7  2  0  0  0  0
 11  8  2  0  0  0  0
 12  5  1  0  0  0  0
 13 11  1  0  0  0  0
 14  9  1  0  0  0  0
 15 10  1  0  0  0  0
 16 19  1  0  0  0  0
 17  5  2  0  0  0  0
 18  8  1  0  0  0  0
 19 18  2  0  0  0  0
 20 13  1  0  0  0  0
 21 16  1  0  0  0  0
 22 15  1  0  0  0  0
 23 22  1  0  0  0  0
 24 21  1  0  0  0  0
 25 20  1  0  0  0  0
 26 24  1  0  0  0  0
  6  9  2  0  0  0  0
 12  4  1  0  0  0  0
 23 14  1  0  0  0  0
 16 13  2  0  0  0  0
M  END
>  <Mol_ID> (4,367)
4367

>  <Formula> (4,367)
C20H21NO5

>  <MolWeight> (4,367)
355.38444

>  <COMPOUND_NAME> (4,367)
WAY-338396

>  <BAR_CODE_NO> (4,367)
313397

$$$$
WAY-338397
csChFnd80/06171916322D

 22 25  0  0  0  0  0  0  0  0999 V2000
   10.9667   -9.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9667  -11.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6375   -8.4250    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.6375  -12.3125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.3167  -11.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3042   -8.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3042  -12.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6375   -6.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6292   -9.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6000  -11.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3167   -9.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9625   -8.4417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9125  -12.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3292   -5.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -12.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.4917    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.9667   -5.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2667   -9.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2417  -11.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3292   -3.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9542   -3.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6250   -2.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5 11  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  3  1  0  0  0  0
  9  6  2  0  0  0  0
 10  9  1  0  0  0  0
 11  3  1  0  0  0  0
 12  9  1  0  0  0  0
 13 10  1  0  0  0  0
 14  8  2  0  0  0  0
 15  5  2  0  0  0  0
 16 14  1  0  0  0  0
 17  8  1  0  0  0  0
 18 12  1  0  0  0  0
 19 18  1  0  0  0  0
 20 14  1  0  0  0  0
 21 17  2  0  0  0  0
 22 21  1  0  0  0  0
  7 10  2  0  0  0  0
  5  4  1  0  0  0  0
 19 13  1  0  0  0  0
 22 20  2  0  0  0  0
M  END
>  <Mol_ID> (4,368)
4368

>  <Formula> (4,368)
C17H14FNO3

>  <MolWeight> (4,368)
299.2963632

>  <COMPOUND_NAME> (4,368)
WAY-338397

>  <BAR_CODE_NO> (4,368)
313398

$$$$
WAY-338399
csChFnd80/06171916322D

 24 27  0  0  0  0  0  0  0  0999 V2000
   11.0167  -10.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0167   -8.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6667  -11.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6667   -7.8500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   14.3375  -10.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3625   -7.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3625  -11.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7042   -8.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6792  -10.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3375   -8.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6667   -5.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0625   -7.8542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0250  -11.6792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -11.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6667   -2.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3167   -4.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0167   -4.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0042   -3.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3167   -3.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6667   -0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3667  -10.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3792   -8.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3167    0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0042    0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  9  1  0  0  0  0
  9  7  2  0  0  0  0
 10  5  1  0  0  0  0
 11  4  1  0  0  0  0
 12  8  1  0  0  0  0
 13  9  1  0  0  0  0
 14  5  2  0  0  0  0
 15 18  1  0  0  0  0
 16 11  2  0  0  0  0
 17 11  1  0  0  0  0
 18 17  2  0  0  0  0
 19 16  1  0  0  0  0
 20 15  1  0  0  0  0
 21 13  1  0  0  0  0
 22 21  1  0  0  0  0
 23 20  1  0  0  0  0
 24 20  1  0  0  0  0
  6  8  2  0  0  0  0
  4 10  1  0  0  0  0
 22 12  1  0  0  0  0
 15 19  2  0  0  0  0
M  END
>  <Mol_ID> (4,369)
4369

>  <Formula> (4,369)
C20H21NO3

>  <MolWeight> (4,369)
323.38564

>  <COMPOUND_NAME> (4,369)
WAY-338399

>  <BAR_CODE_NO> (4,369)
313400

$$$$
WAY-338402
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
    7.9042   -6.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9042   -8.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0542   -6.1667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.0542   -8.8542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2167   -8.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7500   -6.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7500   -8.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0542   -4.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5792   -6.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5667   -8.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2167   -6.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3250   -6.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2917   -8.5792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5250   -7.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2292   -4.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3792   -8.8542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3792   -4.8292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9042   -4.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2292   -2.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5292   -4.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6917   -4.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8417   -4.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8917   -2.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -4.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0542   -2.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5 11  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  3  1  0  0  0  0
  9  6  2  0  0  0  0
 10  9  1  0  0  0  0
 11  3  1  0  0  0  0
 12  9  1  0  0  0  0
 13 10  1  0  0  0  0
 14 12  1  0  0  0  0
 15  8  2  0  0  0  0
 16  5  2  0  0  0  0
 17 15  1  0  0  0  0
 18  8  1  0  0  0  0
 19 15  1  0  0  0  0
 20 17  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 18  2  0  0  0  0
 24 22  1  0  0  0  0
 25 23  1  0  0  0  0
 10  7  2  0  0  0  0
  4  5  1  0  0  0  0
 13 14  1  0  0  0  0
 19 25  2  0  0  0  0
M  END
>  <Mol_ID> (4,370)
4370

>  <Formula> (4,370)
C20H21NO4

>  <MolWeight> (4,370)
339.38504

>  <COMPOUND_NAME> (4,370)
WAY-338402

>  <BAR_CODE_NO> (4,370)
313403

$$$$
WAY-338404
csChFnd80/06171916322D

 21 24  0  0  0  0  0  0  0  0999 V2000
   11.1042  -11.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1042   -9.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7292  -12.4417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7292   -8.6667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   14.3542  -11.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4917   -8.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4917  -12.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8500   -9.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8250  -11.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7292   -6.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3542   -9.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0792   -9.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0292  -12.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9542  -10.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3792   -5.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -12.4417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3792   -3.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -3.0125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   11.1042   -5.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0917   -3.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7292   -3.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  9  1  0  0  0  0
  9  7  2  0  0  0  0
 10  4  1  0  0  0  0
 11  5  1  0  0  0  0
 12  8  1  0  0  0  0
 13  9  1  0  0  0  0
 14 13  1  0  0  0  0
 15 10  2  0  0  0  0
 16  5  2  0  0  0  0
 17 15  1  0  0  0  0
 18 17  1  0  0  0  0
 19 10  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
  8  6  2  0  0  0  0
  4 11  1  0  0  0  0
 14 12  1  0  0  0  0
 17 21  2  0  0  0  0
M  END
>  <Mol_ID> (4,371)
4371

>  <Formula> (4,371)
C16H12BrNO3

>  <MolWeight> (4,371)
346.17538

>  <COMPOUND_NAME> (4,371)
WAY-338404

>  <BAR_CODE_NO> (4,371)
313405

$$$$
WAY-338406
csChFnd80/06171916322D

 22 25  0  0  0  0  0  0  0  0999 V2000
   11.1042   -9.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7292   -8.6667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.1042  -11.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7292  -12.4417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7292   -6.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3542  -11.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4917   -8.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4917  -12.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8500   -9.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8250  -11.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3542   -9.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0792   -9.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0292  -12.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3792   -5.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1042   -5.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9542  -10.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -12.4417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3792   -3.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0917   -3.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7292   -3.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4625   -3.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  1  1  0  0  0  0
  8  3  1  0  0  0  0
  9  7  2  0  0  0  0
 10  9  1  0  0  0  0
 11  2  1  0  0  0  0
 12  9  1  0  0  0  0
 13 10  1  0  0  0  0
 14  5  2  0  0  0  0
 15  5  1  0  0  0  0
 16 12  1  0  0  0  0
 17  6  2  0  0  0  0
 18 14  1  0  0  0  0
 19 15  2  0  0  0  0
 20 19  1  0  0  0  0
 21 14  1  0  0  0  0
 22 19  1  0  0  0  0
  6 11  1  0  0  0  0
 10  8  2  0  0  0  0
 13 16  1  0  0  0  0
 18 20  2  0  0  0  0
M  END
>  <Mol_ID> (4,372)
4372

>  <Formula> (4,372)
C18H17NO3

>  <MolWeight> (4,372)
295.33248

>  <COMPOUND_NAME> (4,372)
WAY-338406

>  <BAR_CODE_NO> (4,372)
313407

$$$$
WAY-338412
csChFnd80/06171916322D

 22 25  0  0  0  0  0  0  0  0999 V2000
   11.1042  -11.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1042   -9.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7292  -12.4417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7292   -8.6667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   14.3542  -11.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4917   -8.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4917  -12.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8500   -9.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8250  -11.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3542   -9.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7292   -6.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0792   -9.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0292  -12.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9542  -10.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -12.4417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1042   -5.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3792   -5.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0917   -3.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3792   -3.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7292   -3.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7125   -1.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3292   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  9  1  0  0  0  0
  9  7  2  0  0  0  0
 10  5  1  0  0  0  0
 11  4  1  0  0  0  0
 12  8  1  0  0  0  0
 13  9  1  0  0  0  0
 14 13  1  0  0  0  0
 15  5  2  0  0  0  0
 16 11  1  0  0  0  0
 17 11  2  0  0  0  0
 18 16  2  0  0  0  0
 19 17  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
  6  8  2  0  0  0  0
  4 10  1  0  0  0  0
 14 12  1  0  0  0  0
 20 18  1  0  0  0  0
M  END
>  <Mol_ID> (4,373)
4373

>  <Formula> (4,373)
C18H17NO3

>  <MolWeight> (4,373)
295.33248

>  <COMPOUND_NAME> (4,373)
WAY-338412

>  <BAR_CODE_NO> (4,373)
313413

$$$$
WAY-338413
csChFnd80/06171916322D

 21 24  0  0  0  0  0  0  0  0999 V2000
   11.1042  -11.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1042   -9.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7292  -12.4417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7292   -8.6667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   14.3542  -11.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4917   -8.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4917  -12.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8500   -9.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8250  -11.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3542   -9.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7292   -6.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0792   -9.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0292  -12.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9542  -10.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -12.4417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1042   -5.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3792   -5.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7125   -3.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0917   -3.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3792   -3.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7125   -1.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  9  1  0  0  0  0
  9  7  2  0  0  0  0
 10  5  1  0  0  0  0
 11  4  1  0  0  0  0
 12  8  1  0  0  0  0
 13  9  1  0  0  0  0
 14 13  1  0  0  0  0
 15  5  2  0  0  0  0
 16 11  1  0  0  0  0
 17 11  2  0  0  0  0
 18 20  2  0  0  0  0
 19 16  2  0  0  0  0
 20 17  1  0  0  0  0
 21 18  1  0  0  0  0
  6  8  2  0  0  0  0
  4 10  1  0  0  0  0
 14 12  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (4,374)
4374

>  <Formula> (4,374)
C16H13NO4

>  <MolWeight> (4,374)
283.27872

>  <COMPOUND_NAME> (4,374)
WAY-338413

>  <BAR_CODE_NO> (4,374)
313414

$$$$
WAY-338414
csChFnd80/06171916322D

 23 26  0  0  0  0  0  0  0  0999 V2000
   11.1042  -11.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1042   -9.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7292  -12.4417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7292   -8.6667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   14.3542  -11.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4917   -8.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4917  -12.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8500   -9.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8250  -11.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3542   -9.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7292   -6.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0792   -9.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0292  -12.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7125   -3.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9542  -10.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7125   -1.1292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -12.4417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1042   -5.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3792   -5.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3792   -3.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0917   -3.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3292   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0792   -0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  9  1  0  0  0  0
  9  7  2  0  0  0  0
 10  5  1  0  0  0  0
 11  4  1  0  0  0  0
 12  8  1  0  0  0  0
 13  9  1  0  0  0  0
 14 20  2  0  0  0  0
 15 13  1  0  0  0  0
 16 14  1  0  0  0  0
 17  5  2  0  0  0  0
 18 11  1  0  0  0  0
 19 11  2  0  0  0  0
 20 19  1  0  0  0  0
 21 18  2  0  0  0  0
 22 16  1  0  0  0  0
 23 16  1  0  0  0  0
  6  8  2  0  0  0  0
  4 10  1  0  0  0  0
 15 12  1  0  0  0  0
 14 21  1  0  0  0  0
M  END
>  <Mol_ID> (4,375)
4375

>  <Formula> (4,375)
C18H18N2O3

>  <MolWeight> (4,375)
310.34712

>  <COMPOUND_NAME> (4,375)
WAY-338414

>  <BAR_CODE_NO> (4,375)
313415

$$$$
WAY-338416
csChFnd80/06171916322D

 23 26  0  0  0  0  0  0  0  0999 V2000
   10.1917  -10.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1917   -8.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6375  -11.4875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6375   -8.1167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.1042  -10.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7500   -8.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7500  -11.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6375   -6.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3042   -8.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2667  -10.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1042   -5.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1042   -8.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1042   -3.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7042   -8.4375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6750  -11.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6917   -9.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6375   -3.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5542  -11.4875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1917   -5.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1917   -3.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5542   -3.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6292   -1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -3.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  4  1  0  0  0  0
  9 10  1  0  0  0  0
 10  7  2  0  0  0  0
 11  8  2  0  0  0  0
 12  5  1  0  0  0  0
 13 11  1  0  0  0  0
 14  9  1  0  0  0  0
 15 10  1  0  0  0  0
 16 15  1  0  0  0  0
 17 20  1  0  0  0  0
 18  5  2  0  0  0  0
 19  8  1  0  0  0  0
 20 19  2  0  0  0  0
 21 13  1  0  0  0  0
 22 17  1  0  0  0  0
 23 21  1  0  0  0  0
  6  9  2  0  0  0  0
  4 12  1  0  0  0  0
 16 14  1  0  0  0  0
 13 17  2  0  0  0  0
M  END
>  <Mol_ID> (4,376)
4376

>  <Formula> (4,376)
C17H15NO5

>  <MolWeight> (4,376)
313.3047

>  <COMPOUND_NAME> (4,376)
WAY-338416

>  <BAR_CODE_NO> (4,376)
313417

$$$$
WAY-338418
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    9.6750   -4.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8292   -5.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0042   -3.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6750   -5.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9917   -6.1542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4542   -3.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2292   -5.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2500   -5.7292    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.4542   -6.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2500   -4.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0417   -6.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4542   -2.2250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9292   -3.8292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8375   -5.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4292   -2.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9167   -6.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6167   -6.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4125   -5.7292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0417   -7.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8417   -8.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6167   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3167   -6.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4042   -4.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8 10  1  0  0  0  0
  9  4  1  0  0  0  0
 10  6  1  0  0  0  0
 11  8  1  0  0  0  0
 12  6  2  0  0  0  0
 13  7  2  0  0  0  0
 14 11  2  0  0  0  0
 15  3  1  0  0  0  0
 16  7  1  0  0  0  0
 17 14  1  0  0  0  0
 18 17  1  0  0  0  0
 19 11  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 16  1  0  0  0  0
 23 18  1  0  0  0  0
 24 22  1  0  0  0  0
  8  9  1  0  0  0  0
  2  5  1  0  0  0  0
 21 17  2  0  0  0  0
M  END
>  <Mol_ID> (4,377)
4377

>  <Formula> (4,377)
C19H21NO4

>  <MolWeight> (4,377)
327.37434

>  <COMPOUND_NAME> (4,377)
WAY-338418

>  <BAR_CODE_NO> (4,377)
313419

$$$$
WAY-338424
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    9.5875   -4.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7667   -5.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9375   -4.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5875   -5.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9292   -6.3542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3625   -3.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1417   -5.9292    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.1792   -5.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3625   -6.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1417   -4.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9042   -6.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3625   -2.3792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9042   -8.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8875   -4.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3792   -2.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8875   -6.4542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1417   -8.7542    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.6875   -5.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7042   -8.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3000   -6.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4625   -6.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4625   -8.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7 10  1  0  0  0  0
  8  2  1  0  0  0  0
  9  4  1  0  0  0  0
 10  6  1  0  0  0  0
 11  7  1  0  0  0  0
 12  6  2  0  0  0  0
 13 11  1  0  0  0  0
 14  8  2  0  0  0  0
 15  3  1  0  0  0  0
 16  8  1  0  0  0  0
 17 13  1  0  0  0  0
 18 11  2  0  0  0  0
 19 13  2  0  0  0  0
 20 16  1  0  0  0  0
 21 20  1  0  0  0  0
 22 18  1  0  0  0  0
 23 22  2  0  0  0  0
  7  9  1  0  0  0  0
  2  5  1  0  0  0  0
 23 19  1  0  0  0  0
M  END
>  <Mol_ID> (4,378)
4378

>  <Formula> (4,378)
C18H18ClNO3

>  <MolWeight> (4,378)
331.79342

>  <COMPOUND_NAME> (4,378)
WAY-338424

>  <BAR_CODE_NO> (4,378)
313425

$$$$
WAY-338427
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   10.1250   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3667   -5.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5125   -4.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1250   -5.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5125   -6.4417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8667   -3.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8292   -5.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8667   -6.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6167   -6.0042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.6167   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3417   -6.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8667   -2.3542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5625   -4.0250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3542   -8.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0875   -6.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9667   -2.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5417   -6.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8292   -8.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8292   -6.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1042   -8.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5792   -8.9292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167   -8.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  4  1  0  0  0  0
  9 10  1  0  0  0  0
 10  6  1  0  0  0  0
 11  9  1  0  0  0  0
 12  6  2  0  0  0  0
 13  7  2  0  0  0  0
 14 11  1  0  0  0  0
 15 11  2  0  0  0  0
 16  3  1  0  0  0  0
 17  7  1  0  0  0  0
 18 19  2  0  0  0  0
 19 15  1  0  0  0  0
 20 14  2  0  0  0  0
 21 18  1  0  0  0  0
 22 17  1  0  0  0  0
 23 21  1  0  0  0  0
  2  5  1  0  0  0  0
  9  8  1  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (4,379)
4379

>  <Formula> (4,379)
C18H19NO4

>  <MolWeight> (4,379)
313.34776

>  <COMPOUND_NAME> (4,379)
WAY-338427

>  <BAR_CODE_NO> (4,379)
313428

$$$$
WAY-338441
csChFnd80/06171916322D

 23 26  0  0  0  0  0  0  0  0999 V2000
   11.1042  -11.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1042   -9.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7292  -12.4417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7292   -8.6667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   14.3542  -11.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4917   -8.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4917  -12.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8500   -9.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8250  -11.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3542   -9.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7292   -6.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0792   -9.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0292  -12.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9542  -10.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -12.4417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7292   -3.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3792   -5.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1042   -5.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3792   -3.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0917   -3.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7125   -1.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3292   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0792   -0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  9  1  0  0  0  0
  9  7  2  0  0  0  0
 10  5  1  0  0  0  0
 11  4  1  0  0  0  0
 12  8  1  0  0  0  0
 13  9  1  0  0  0  0
 14 13  1  0  0  0  0
 15  5  2  0  0  0  0
 16 20  1  0  0  0  0
 17 11  2  0  0  0  0
 18 11  1  0  0  0  0
 19 17  1  0  0  0  0
 20 18  2  0  0  0  0
 21 16  1  0  0  0  0
 22 21  1  0  0  0  0
 23 21  1  0  0  0  0
  6  8  2  0  0  0  0
  4 10  1  0  0  0  0
 14 12  1  0  0  0  0
 19 16  2  0  0  0  0
M  END
>  <Mol_ID> (4,380)
4380

>  <Formula> (4,380)
C19H19NO3

>  <MolWeight> (4,380)
309.35906

>  <COMPOUND_NAME> (4,380)
WAY-338441

>  <BAR_CODE_NO> (4,380)
313442

$$$$
WAY-338450
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
    7.2375   -3.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1625   -4.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4250   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2375   -4.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4125   -5.0125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1500   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4125   -4.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1500   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0750   -4.6375    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.0750   -3.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1500   -1.5125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0375   -2.9375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875   -5.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8125   -1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0208   -5.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1375   -6.1750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9125   -4.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -6.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7500   -7.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2750   -5.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8875   -6.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1125   -8.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8250   -5.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9250   -7.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8375   -6.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  4  1  0  0  0  0
  9 10  1  0  0  0  0
 10  6  1  0  0  0  0
 11  6  2  0  0  0  0
 12  7  2  0  0  0  0
 13  9  1  0  0  0  0
 14  3  1  0  0  0  0
 15  7  1  0  0  0  0
 16 21  1  0  0  0  0
 17 13  2  0  0  0  0
 18 13  1  0  0  0  0
 19 16  1  0  0  0  0
 20 15  1  0  0  0  0
 21 20  1  0  0  0  0
 22 19  1  0  0  0  0
 23 19  1  0  0  0  0
 24 17  1  0  0  0  0
 25 18  2  0  0  0  0
 26 25  1  0  0  0  0
  2  5  1  0  0  0  0
  9  8  1  0  0  0  0
 26 24  2  0  0  0  0
M  END
>  <Mol_ID> (4,381)
4381

>  <Formula> (4,381)
C21H25NO4

>  <MolWeight> (4,381)
355.4275

>  <COMPOUND_NAME> (4,381)
WAY-338450

>  <BAR_CODE_NO> (4,381)
313451

$$$$
WAY-338453
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
   10.4875   -8.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8625   -7.7000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.4875  -10.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8625  -10.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8625   -6.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2500  -10.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1125   -7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1125  -10.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7375   -8.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7250  -10.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2500   -8.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2500   -5.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4875   -5.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3750   -7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3375  -10.8750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6250  -10.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2500   -3.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4750   -3.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8625   -2.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6250   -6.1125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0875   -2.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9750  -10.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9875   -8.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -5.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0875   -1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  1  1  0  0  0  0
  8  3  1  0  0  0  0
  9  7  2  0  0  0  0
 10  9  1  0  0  0  0
 11  2  1  0  0  0  0
 12  5  2  0  0  0  0
 13  5  1  0  0  0  0
 14  9  1  0  0  0  0
 15 10  1  0  0  0  0
 16  6  2  0  0  0  0
 17 12  1  0  0  0  0
 18 13  2  0  0  0  0
 19 18  1  0  0  0  0
 20 12  1  0  0  0  0
 21 18  1  0  0  0  0
 22 23  1  0  0  0  0
 23 14  1  0  0  0  0
 24 20  1  0  0  0  0
 25 21  1  0  0  0  0
  6 11  1  0  0  0  0
 10  8  2  0  0  0  0
 15 22  1  0  0  0  0
 17 19  2  0  0  0  0
M  END
>  <Mol_ID> (4,382)
4382

>  <Formula> (4,382)
C19H19NO5

>  <MolWeight> (4,382)
341.35786

>  <COMPOUND_NAME> (4,382)
WAY-338453

>  <BAR_CODE_NO> (4,382)
313454

$$$$
WAY-338454
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
   12.6625   -7.8500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.0125   -8.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0125  -10.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6625   -5.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6625  -11.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.3375  -10.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3375   -4.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3625   -7.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0125   -4.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3625  -11.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3375   -3.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000   -8.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6750  -10.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0000   -3.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6625   -2.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3375   -8.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0625   -7.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0250  -11.6750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -11.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -5.9375    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    9.3375   -2.1125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6375   -0.1583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3875   -8.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3625  -10.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3250   -0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9875    0.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  6  1  0  0  0  0
  6 16  1  0  0  0  0
  7  4  2  0  0  0  0
  8  2  1  0  0  0  0
  9  4  1  0  0  0  0
 10  3  1  0  0  0  0
 11  7  1  0  0  0  0
 12  8  2  0  0  0  0
 13 12  1  0  0  0  0
 14  9  2  0  0  0  0
 15 14  1  0  0  0  0
 16  1  1  0  0  0  0
 17 12  1  0  0  0  0
 18 13  1  0  0  0  0
 19  6  2  0  0  0  0
 20  7  1  0  0  0  0
 21 14  1  0  0  0  0
 22 15  1  0  0  0  0
 23 17  1  0  0  0  0
 24 23  1  0  0  0  0
 25 21  1  0  0  0  0
 26 22  1  0  0  0  0
  3  5  1  0  0  0  0
 15 11  2  0  0  0  0
 13 10  2  0  0  0  0
 18 24  1  0  0  0  0
M  END
>  <Mol_ID> (4,383)
4383

>  <Formula> (4,383)
C19H18BrNO5

>  <MolWeight> (4,383)
420.25392

>  <COMPOUND_NAME> (4,383)
WAY-338454

>  <BAR_CODE_NO> (4,383)
313455

$$$$
WAY-338455
csChFnd80/06171916322D

 22 25  0  0  0  0  0  0  0  0999 V2000
   11.4625  -13.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4625  -11.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9625  -14.5125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9625  -11.0125    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   14.4875  -13.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9625  -11.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9625  -14.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4625  -11.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4375  -13.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9625   -9.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4875  -11.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9750  -11.0375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9375  -14.5250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4875   -8.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9875  -14.5125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4875   -6.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -5.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4625   -8.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4625   -6.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4500  -11.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4250  -13.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9625   -5.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  9  1  0  0  0  0
  9  7  2  0  0  0  0
 10  4  1  0  0  0  0
 11  5  1  0  0  0  0
 12  8  1  0  0  0  0
 13  9  1  0  0  0  0
 14 10  2  0  0  0  0
 15  5  2  0  0  0  0
 16 14  1  0  0  0  0
 17 16  1  0  0  0  0
 18 10  1  0  0  0  0
 19 18  2  0  0  0  0
 20 21  1  0  0  0  0
 21 13  1  0  0  0  0
 22 19  1  0  0  0  0
  6  8  2  0  0  0  0
  4 11  1  0  0  0  0
 20 12  1  0  0  0  0
 16 22  2  0  0  0  0
M  END
>  <Mol_ID> (4,384)
4384

>  <Formula> (4,384)
C17H15NO4

>  <MolWeight> (4,384)
297.3053

>  <COMPOUND_NAME> (4,384)
WAY-338455

>  <BAR_CODE_NO> (4,384)
313456

$$$$
WAY-338460
csChFnd80/06171916322D

 23 26  0  0  0  0  0  0  0  0999 V2000
   11.4750  -11.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4750  -10.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9750  -12.7375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9750   -9.2500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   14.5000  -11.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9750   -9.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9750  -12.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9750   -7.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4875  -10.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4625  -11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4875   -6.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4875   -4.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5000  -10.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8125   -9.5750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7750  -12.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7625  -10.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9875   -4.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -12.7375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4875   -6.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4750   -4.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9875   -4.0500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.9875   -2.3250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4750   -1.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  4  1  0  0  0  0
  9 10  1  0  0  0  0
 10  7  2  0  0  0  0
 11  8  2  0  0  0  0
 12 11  1  0  0  0  0
 13  5  1  0  0  0  0
 14  9  1  0  0  0  0
 15 10  1  0  0  0  0
 16 15  1  0  0  0  0
 17 20  1  0  0  0  0
 18  5  2  0  0  0  0
 19  8  1  0  0  0  0
 20 19  2  0  0  0  0
 21 12  1  0  0  0  0
 22 17  1  0  0  0  0
 23 22  1  0  0  0  0
  6  9  2  0  0  0  0
  4 13  1  0  0  0  0
 16 14  1  0  0  0  0
 17 12  2  0  0  0  0
M  END
>  <Mol_ID> (4,385)
4385

>  <Formula> (4,385)
C17H14ClNO4

>  <MolWeight> (4,385)
331.75036

>  <COMPOUND_NAME> (4,385)
WAY-338460

>  <BAR_CODE_NO> (4,385)
313461

$$$$
WAY-338471
csChFnd80/06171916322D

 24 27  0  0  0  0  0  0  0  0999 V2000
    8.8500  -11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8500  -12.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0375  -10.5000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.0375  -13.2625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2500  -12.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6625  -10.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6625  -13.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0375   -9.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4750  -11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4500  -12.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2500  -11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1500  -10.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1125  -13.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3000  -11.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2375   -8.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4375  -13.2625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4250   -9.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8625   -8.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2375   -7.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6125   -8.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8125   -9.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8500   -7.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0500   -6.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5 11  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  3  1  0  0  0  0
  9  6  2  0  0  0  0
 10  9  1  0  0  0  0
 11  3  1  0  0  0  0
 12  9  1  0  0  0  0
 13 10  1  0  0  0  0
 14 12  1  0  0  0  0
 15  8  2  0  0  0  0
 16  5  2  0  0  0  0
 17 15  1  0  0  0  0
 18  8  1  0  0  0  0
 19 15  1  0  0  0  0
 20 17  1  0  0  0  0
 21 20  1  0  0  0  0
 22 18  2  0  0  0  0
 23 21  1  0  0  0  0
 24 22  1  0  0  0  0
  7 10  2  0  0  0  0
  5  4  1  0  0  0  0
 14 13  1  0  0  0  0
 19 24  2  0  0  0  0
M  END
>  <Mol_ID> (4,386)
4386

>  <Formula> (4,386)
C19H19NO4

>  <MolWeight> (4,386)
325.35846

>  <COMPOUND_NAME> (4,386)
WAY-338471

>  <BAR_CODE_NO> (4,386)
313472

$$$$
WAY-338474
csChFnd80/06171916322D

 24 27  0  0  0  0  0  0  0  0999 V2000
    9.9125  -12.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4250  -11.6750    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.9125  -14.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4250  -15.2125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4250   -9.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9625  -14.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3875  -11.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3875  -15.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8625  -12.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8500  -14.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9625  -12.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9625   -9.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9125   -9.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3250  -11.6750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3000  -15.2625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4875  -15.2125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9625   -7.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9000   -7.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4250   -6.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3750   -6.4250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   14.4750   -9.9250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500  -14.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7625  -12.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -9.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  1  1  0  0  0  0
  8  3  1  0  0  0  0
  9  7  2  0  0  0  0
 10  9  1  0  0  0  0
 11  2  1  0  0  0  0
 12  5  2  0  0  0  0
 13  5  1  0  0  0  0
 14  9  1  0  0  0  0
 15 10  1  0  0  0  0
 16  6  2  0  0  0  0
 17 12  1  0  0  0  0
 18 13  2  0  0  0  0
 19 18  1  0  0  0  0
 20 18  1  0  0  0  0
 21 12  1  0  0  0  0
 22 23  1  0  0  0  0
 23 14  1  0  0  0  0
 24 21  1  0  0  0  0
 11  6  1  0  0  0  0
  8 10  2  0  0  0  0
 22 15  1  0  0  0  0
 17 19  2  0  0  0  0
M  END
>  <Mol_ID> (4,387)
4387

>  <Formula> (4,387)
C18H16ClNO4

>  <MolWeight> (4,387)
345.77694

>  <COMPOUND_NAME> (4,387)
WAY-338474

>  <BAR_CODE_NO> (4,387)
313475

$$$$
WAY-338476
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
    9.6250  -10.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8875   -9.8000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.6250  -12.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8875  -12.7625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8875   -8.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1750  -12.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3500   -9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3500  -12.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0750  -10.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0625  -12.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1750  -10.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1625   -7.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6250   -7.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7875   -9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7625  -12.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4500  -12.7625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1625   -6.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6125   -6.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8875   -5.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3375   -5.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   13.4375   -8.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4750  -12.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4750  -10.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7125   -7.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  1  1  0  0  0  0
  8  3  1  0  0  0  0
  9  7  2  0  0  0  0
 10  9  1  0  0  0  0
 11  2  1  0  0  0  0
 12  5  2  0  0  0  0
 13  5  1  0  0  0  0
 14  9  1  0  0  0  0
 15 10  1  0  0  0  0
 16  6  2  0  0  0  0
 17 12  1  0  0  0  0
 18 13  2  0  0  0  0
 19 18  1  0  0  0  0
 20 18  1  0  0  0  0
 21 12  1  0  0  0  0
 22 23  1  0  0  0  0
 23 14  1  0  0  0  0
 24 21  1  0  0  0  0
 25 24  1  0  0  0  0
 11  6  1  0  0  0  0
  8 10  2  0  0  0  0
 22 15  1  0  0  0  0
 17 19  2  0  0  0  0
M  END
>  <Mol_ID> (4,388)
4388

>  <Formula> (4,388)
C19H18BrNO4

>  <MolWeight> (4,388)
404.25452

>  <COMPOUND_NAME> (4,388)
WAY-338476

>  <BAR_CODE_NO> (4,388)
313477

$$$$
WAY-337992
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
    1.1375   -4.8792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417   -7.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8500   -4.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -3.8292    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.9000   -7.7292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7042   -3.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8500   -7.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -8.1167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9125   -4.2292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708   -5.9875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5542   -4.9167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4292   -3.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0167   -1.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2625   -4.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7250   -1.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1292   -3.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4042   -1.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8792   -0.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667   -0.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1417   -1.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0292    2.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7042   -8.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2625   -0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667    1.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8792    1.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0167    4.7417    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.2625   -7.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  2  0  0  0  0
  6  3  1  0  0  0  0
  7  3  2  0  0  0  0
  8  2  1  0  0  0  0
  9  1  1  0  0  0  0
 10  9  2  0  0  0  0
 11  6  1  0  0  0  0
 12 11  1  0  0  0  0
 13  4  1  0  0  0  0
 14 12  2  0  0  0  0
 15  6  2  0  0  0  0
 16 14  1  0  0  0  0
 17 12  1  0  0  0  0
 18 13  2  0  0  0  0
 19 13  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22  7  1  0  0  0  0
 23 17  2  0  0  0  0
 24 19  2  0  0  0  0
 25 18  1  0  0  0  0
 26 21  1  0  0  0  0
 27 14  1  0  0  0  0
 28 20  1  0  0  0  0
 10  5  1  0  0  0  0
  8  7  1  0  0  0  0
 25 21  2  0  0  0  0
 16 20  2  0  0  0  0
M  END
>  <Mol_ID> (4,389)
4389

>  <Formula> (4,389)
C20H19FN6O

>  <MolWeight> (4,389)
378.4028632

>  <COMPOUND_NAME> (4,389)
WAY-337992

>  <BAR_CODE_NO> (4,389)
312993

$$$$
WAY-338009
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
    9.3167  -11.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3042  -12.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6417  -10.6417    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.6417  -13.7167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9875  -12.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6417   -9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9917  -10.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9792  -13.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6625  -11.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6625  -12.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9917   -8.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9917  -11.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3375   -9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3500  -10.6167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3375  -13.6917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3167  -13.7292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3167   -8.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6625   -8.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9917   -6.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0042  -11.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0042  -12.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -9.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6625   -6.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3167   -6.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6417   -6.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5 12  1  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  7  2  0  0  0  0
 10  9  1  0  0  0  0
 11  6  2  0  0  0  0
 12  3  1  0  0  0  0
 13 11  1  0  0  0  0
 14  9  1  0  0  0  0
 15 10  1  0  0  0  0
 16  5  2  0  0  0  0
 17  6  1  0  0  0  0
 18 13  1  0  0  0  0
 19 11  1  0  0  0  0
 20 14  1  0  0  0  0
 21 20  1  0  0  0  0
 22 18  1  0  0  0  0
 23 18  1  0  0  0  0
 24 17  2  0  0  0  0
 25 24  1  0  0  0  0
  8 10  2  0  0  0  0
  5  4  1  0  0  0  0
 15 21  1  0  0  0  0
 25 19  2  0  0  0  0
M  END
>  <Mol_ID> (4,390)
4390

>  <Formula> (4,390)
C20H21NO4

>  <MolWeight> (4,390)
339.38504

>  <COMPOUND_NAME> (4,390)
WAY-338009

>  <BAR_CODE_NO> (4,390)
313010

$$$$
WAY-338011
csChFnd80/06171916322D

 23 26  0  0  0  0  0  0  0  0999 V2000
   10.1667  -14.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1750  -12.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6250  -14.9792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6250  -11.6250    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.0917  -14.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7250  -11.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7167  -14.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2792  -12.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2792  -14.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6250   -9.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1000  -12.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8417  -11.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8292  -14.9542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1000   -9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5500  -15.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1000   -7.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1750   -9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5500   -6.5542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1750   -7.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3792  -14.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3792  -12.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6250   -6.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  9  1  0  0  0  0
  9  7  2  0  0  0  0
 10  4  1  0  0  0  0
 11  5  1  0  0  0  0
 12  8  1  0  0  0  0
 13  9  1  0  0  0  0
 14 10  2  0  0  0  0
 15  5  2  0  0  0  0
 16 14  1  0  0  0  0
 17 10  1  0  0  0  0
 18 16  1  0  0  0  0
 19 17  2  0  0  0  0
 20 13  1  0  0  0  0
 21 20  1  0  0  0  0
 22 19  1  0  0  0  0
 23 18  1  0  0  0  0
  8  6  2  0  0  0  0
 11  4  1  0  0  0  0
 21 12  1  0  0  0  0
 22 16  2  0  0  0  0
M  END
>  <Mol_ID> (4,391)
4391

>  <Formula> (4,391)
C18H17NO4

>  <MolWeight> (4,391)
311.33188

>  <COMPOUND_NAME> (4,391)
WAY-338011

>  <BAR_CODE_NO> (4,391)
313012

$$$$
WAY-338013
csChFnd80/06171916322D

 22 25  0  0  0  0  0  0  0  0999 V2000
   10.8417  -15.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8542  -13.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4000  -15.9792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4000  -12.3958    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.9625  -15.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3042  -12.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3000  -15.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7625  -13.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7625  -15.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4000  -10.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9750  -13.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2375  -12.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2167  -15.9542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9750   -9.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5167  -16.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9750   -7.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5167   -6.9917    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.8542   -9.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8542   -7.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6667  -15.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6667  -13.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4000   -6.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  9  1  0  0  0  0
  9  7  2  0  0  0  0
 10  4  1  0  0  0  0
 11  5  1  0  0  0  0
 12  8  1  0  0  0  0
 13  9  1  0  0  0  0
 14 10  2  0  0  0  0
 15  5  2  0  0  0  0
 16 14  1  0  0  0  0
 17 16  1  0  0  0  0
 18 10  1  0  0  0  0
 19 18  2  0  0  0  0
 20 13  1  0  0  0  0
 21 20  1  0  0  0  0
 22 19  1  0  0  0  0
  8  6  2  0  0  0  0
 11  4  1  0  0  0  0
 21 12  1  0  0  0  0
 22 16  2  0  0  0  0
M  END
>  <Mol_ID> (4,392)
4392

>  <Formula> (4,392)
C17H14ClNO3

>  <MolWeight> (4,392)
315.75096

>  <COMPOUND_NAME> (4,392)
WAY-338013

>  <BAR_CODE_NO> (4,392)
313014

$$$$
WAY-338016
csChFnd80/06171916322D

 22 25  0  0  0  0  0  0  0  0999 V2000
   10.8417  -15.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8542  -13.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4000  -15.9792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4000  -12.3958    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.9625  -15.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3042  -12.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3000  -15.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7625  -13.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7625  -15.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9750  -13.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4000  -10.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2375  -12.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2167  -15.9542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5167  -16.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9750   -9.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8542   -9.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4000   -6.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8542   -7.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9750   -7.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4000   -5.2042    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.6667  -15.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6667  -13.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  9  1  0  0  0  0
  9  7  2  0  0  0  0
 10  5  1  0  0  0  0
 11  4  1  0  0  0  0
 12  8  1  0  0  0  0
 13  9  1  0  0  0  0
 14  5  2  0  0  0  0
 15 11  2  0  0  0  0
 16 11  1  0  0  0  0
 17 18  1  0  0  0  0
 18 16  2  0  0  0  0
 19 15  1  0  0  0  0
 20 17  1  0  0  0  0
 21 13  1  0  0  0  0
 22 21  1  0  0  0  0
  8  6  2  0  0  0  0
 10  4  1  0  0  0  0
 22 12  1  0  0  0  0
 17 19  2  0  0  0  0
M  END
>  <Mol_ID> (4,393)
4393

>  <Formula> (4,393)
C17H14FNO3

>  <MolWeight> (4,393)
299.2963632

>  <COMPOUND_NAME> (4,393)
WAY-338016

>  <BAR_CODE_NO> (4,393)
313017

$$$$
WAY-338020
csChFnd80/06171916322D

 23 26  0  0  0  0  0  0  0  0999 V2000
   10.8417  -15.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8542  -13.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4000  -15.9792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4000  -12.3958    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.9625  -15.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3042  -12.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3000  -15.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4000  -10.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7625  -13.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7625  -15.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9750   -9.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9750   -7.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9750  -13.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4000   -6.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2375  -12.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2167  -15.9542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5167  -16.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8542   -9.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8542   -7.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5167   -6.9917    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.4000   -5.2042    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.6667  -13.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6667  -15.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  4  1  0  0  0  0
  9 10  1  0  0  0  0
 10  7  2  0  0  0  0
 11  8  2  0  0  0  0
 12 11  1  0  0  0  0
 13  5  1  0  0  0  0
 14 19  1  0  0  0  0
 15  9  1  0  0  0  0
 16 10  1  0  0  0  0
 17  5  2  0  0  0  0
 18  8  1  0  0  0  0
 19 18  2  0  0  0  0
 20 12  1  0  0  0  0
 21 14  1  0  0  0  0
 22 23  1  0  0  0  0
 23 16  1  0  0  0  0
  9  6  2  0  0  0  0
 13  4  1  0  0  0  0
 22 15  1  0  0  0  0
 14 12  2  0  0  0  0
M  END
>  <Mol_ID> (4,394)
4394

>  <Formula> (4,394)
C17H13Cl2NO3

>  <MolWeight> (4,394)
350.19602

>  <COMPOUND_NAME> (4,394)
WAY-338020

>  <BAR_CODE_NO> (4,394)
313021

$$$$
WAY-338021
csChFnd80/06171916322D

 22 25  0  0  0  0  0  0  0  0999 V2000
   10.8542  -13.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8417  -15.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4000  -12.3958    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.4000  -15.9792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.9625  -15.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3042  -12.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3000  -15.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4000  -10.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7625  -13.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7625  -15.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9750  -13.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2375  -12.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2167  -15.9542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5167  -16.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9750   -9.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8542   -9.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6667  -13.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6667  -15.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5167  -10.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9750   -7.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8542   -7.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4000   -6.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5 11  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  3  1  0  0  0  0
  9  6  2  0  0  0  0
 10  9  1  0  0  0  0
 11  3  1  0  0  0  0
 12  9  1  0  0  0  0
 13 10  1  0  0  0  0
 14  5  2  0  0  0  0
 15  8  2  0  0  0  0
 16  8  1  0  0  0  0
 17 12  1  0  0  0  0
 18 17  1  0  0  0  0
 19 15  1  0  0  0  0
 20 15  1  0  0  0  0
 21 16  2  0  0  0  0
 22 21  1  0  0  0  0
  7 10  2  0  0  0  0
  5  4  1  0  0  0  0
 13 18  1  0  0  0  0
 22 20  2  0  0  0  0
M  END
>  <Mol_ID> (4,395)
4395

>  <Formula> (4,395)
C18H17NO3

>  <MolWeight> (4,395)
295.33248

>  <COMPOUND_NAME> (4,395)
WAY-338021

>  <BAR_CODE_NO> (4,395)
313022

$$$$
WAY-338023
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
   10.1750  -12.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6250  -11.6250    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.1667  -14.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6250  -14.9792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6250   -9.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0917  -14.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7250  -11.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7167  -14.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1000   -9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2792  -12.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2792  -14.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1000  -12.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8417  -11.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8292  -14.9542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1000   -7.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5500  -15.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5500   -9.9375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1750   -9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5500   -6.5542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1750   -7.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6250   -6.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3792  -12.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3792  -14.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  1  1  0  0  0  0
  8  3  1  0  0  0  0
  9  5  2  0  0  0  0
 10  7  2  0  0  0  0
 11 10  1  0  0  0  0
 12  2  1  0  0  0  0
 13 10  1  0  0  0  0
 14 11  1  0  0  0  0
 15  9  1  0  0  0  0
 16  6  2  0  0  0  0
 17  9  1  0  0  0  0
 18  5  1  0  0  0  0
 19 15  1  0  0  0  0
 20 18  2  0  0  0  0
 21 20  1  0  0  0  0
 22 13  1  0  0  0  0
 23 22  1  0  0  0  0
 24 17  1  0  0  0  0
 25 19  1  0  0  0  0
  6 12  1  0  0  0  0
  8 11  2  0  0  0  0
 14 23  1  0  0  0  0
 21 15  2  0  0  0  0
M  END
>  <Mol_ID> (4,396)
4396

>  <Formula> (4,396)
C19H19NO5

>  <MolWeight> (4,396)
341.35786

>  <COMPOUND_NAME> (4,396)
WAY-338023

>  <BAR_CODE_NO> (4,396)
313024

$$$$
WAY-338024
csChFnd80/06171916322D

 23 26  0  0  0  0  0  0  0  0999 V2000
   10.5750   -9.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5750   -7.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3667  -10.1625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3917   -5.9917    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   14.2000   -9.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7917   -5.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7750  -10.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000   -7.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9792   -9.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2000   -7.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3917   -3.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2125   -5.9667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1792  -10.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -10.1625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2000   -2.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5750   -2.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2000   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5750   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3917    0.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4042   -7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3792   -9.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3667    2.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1917    3.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  9  1  0  0  0  0
  9  7  2  0  0  0  0
 10  5  1  0  0  0  0
 11  4  1  0  0  0  0
 12  8  1  0  0  0  0
 13  9  1  0  0  0  0
 14  5  2  0  0  0  0
 15 11  2  0  0  0  0
 16 11  1  0  0  0  0
 17 15  1  0  0  0  0
 18 16  2  0  0  0  0
 19 18  1  0  0  0  0
 20 21  1  0  0  0  0
 21 13  1  0  0  0  0
 22 19  1  0  0  0  0
 23 22  1  0  0  0  0
  8  6  2  0  0  0  0
 10  4  1  0  0  0  0
 20 12  1  0  0  0  0
 19 17  2  0  0  0  0
M  END
>  <Mol_ID> (4,397)
4397

>  <Formula> (4,397)
C19H19NO3

>  <MolWeight> (4,397)
309.35906

>  <COMPOUND_NAME> (4,397)
WAY-338024

>  <BAR_CODE_NO> (4,397)
313025

$$$$
WAY-338034
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
  -10.3000    9.0292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7500    8.4375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000    9.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6250   11.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1917    7.9375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4208   12.7792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3125    9.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    9.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5417    8.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4208   11.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1917    5.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3417    6.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4042   11.1542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3625   12.4792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042    8.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -14.1000    4.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1417   12.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2042   13.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.0917    2.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.1250    9.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2750    4.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2667    2.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1917    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0000    1.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  8  1  0  0  0  0
  3  2  1  0  0  0  0
  4  6  1  0  0  0  0
  5  1  1  0  0  0  0
  6 10  1  0  0  0  0
  7  1  1  0  0  0  0
  8  9  2  0  0  0  0
  9  7  1  0  0  0  0
 10 18  2  0  0  0  0
 11  5  1  0  0  0  0
 12  1  2  0  0  0  0
 13  1  2  0  0  0  0
 14  4  2  0  0  0  0
 15  3  2  0  0  0  0
 16 11  2  0  0  0  0
 17  7  2  0  0  0  0
 18 17  1  0  0  0  0
 19 16  1  0  0  0  0
 20  5  1  0  0  0  0
 21 11  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 19  1  0  0  0  0
 10  8  1  0  0  0  0
 19 23  2  0  0  0  0
  4  3  1  0  0  0  0
M  END
>  <Mol_ID> (4,398)
4398

>  <Formula> (4,398)
C16H15N3O4S

>  <MolWeight> (4,398)
345.373

>  <COMPOUND_NAME> (4,398)
WAY-338034

>  <BAR_CODE_NO> (4,398)
313035

$$$$
WAY-338098
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
   -6.6708    8.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7667    9.0708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5625    9.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9958   10.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3917    1.4583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6542    5.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8792    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7833    1.6083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3417   10.3667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8125    2.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8792    5.1292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0917    2.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1750   11.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8208   11.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0125   12.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6917    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3917   -1.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4750    5.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5625   13.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7208   12.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6708   -2.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9208   13.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6583   12.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7458   14.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8042   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2667   -2.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3667   -3.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583   13.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2958   16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5083   -2.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8125   -3.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5 10  1  0  0  0  0
  6  1  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  2  0  0  0  0
  9  2  1  0  0  0  0
 10  7  2  0  0  0  0
 11  6  1  0  0  0  0
 12  7  1  0  0  0  0
 13  4  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16  5  1  0  0  0  0
 17 16  1  0  0  0  0
 18  6  2  0  0  0  0
 19 22  1  0  0  0  0
 20 13  1  0  0  0  0
 21 17  1  0  0  0  0
 22 20  2  0  0  0  0
 23 15  1  0  0  0  0
 24 19  1  0  0  0  0
 25 17  2  0  0  0  0
 26 21  1  0  0  0  0
 27 21  2  0  0  0  0
 28 23  1  0  0  0  0
 29 24  1  0  0  0  0
 30 25  1  0  0  0  0
 31 30  2  0  0  0  0
  9  4  1  0  0  0  0
  5  8  1  0  0  0  0
 19 15  2  0  0  0  0
 31 27  1  0  0  0  0
M  END
>  <Mol_ID> (4,399)
4399

>  <Formula> (4,399)
C23H22N4O4

>  <MolWeight> (4,399)
418.44518

>  <COMPOUND_NAME> (4,399)
WAY-338098

>  <BAR_CODE_NO> (4,399)
313099

$$$$
WAY-338119
csChFnd80/06171916322D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -9.7167   11.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1917   12.8167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5542    8.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1958   12.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5417   14.5417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3167    7.3667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6917   14.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3167    5.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9917    7.3667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0708    4.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0708    2.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.8250    1.2250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -9.5542    2.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6083   16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5542    4.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3167    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  4  2  0  0  0  0
  8  6  1  0  0  0  0
  9  3  2  0  0  0  0
 10  8  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 15  2  0  0  0  0
 14  7  1  0  0  0  0
 15  8  1  0  0  0  0
 16 13  1  0  0  0  0
  5  7  1  0  0  0  0
 16 11  2  0  0  0  0
M  END
>  <Mol_ID> (4,400)
4400

>  <Formula> (4,400)
C11H9ClN2O2

>  <MolWeight> (4,400)
236.65436

>  <COMPOUND_NAME> (4,400)
WAY-338119

>  <BAR_CODE_NO> (4,400)
313120

$$$$
WAY-338120
csChFnd80/06171916322D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -9.7167   11.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1917   12.8167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5542    8.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1958   12.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3167    7.3667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3167    5.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5417   14.5417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6917   14.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5667    4.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0875    4.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9917    7.3667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0875    2.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5333    2.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3167    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7750    1.2583    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  -14.8542    5.2917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6083   16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  2  1  0  0  0  0
  8  4  2  0  0  0  0
  9  6  1  0  0  0  0
 10  6  2  0  0  0  0
 11  3  2  0  0  0  0
 12 10  1  0  0  0  0
 13  9  2  0  0  0  0
 14 12  2  0  0  0  0
 15 13  1  0  0  0  0
 16 10  1  0  0  0  0
 17  8  1  0  0  0  0
  7  8  1  0  0  0  0
 14 13  1  0  0  0  0
M  END
>  <Mol_ID> (4,401)
4401

>  <Formula> (4,401)
C11H9ClN2O3

>  <MolWeight> (4,401)
252.65376

>  <COMPOUND_NAME> (4,401)
WAY-338120

>  <BAR_CODE_NO> (4,401)
313121

$$$$
WAY-338129
csChFnd80/06171916322D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -8.5542   10.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8167   11.5875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1583   11.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4708    7.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6667   13.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3042   13.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0333    6.5292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0333    4.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0792    6.5625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6000    3.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6667   14.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6000    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1500    1.0875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -8.4708    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4708    3.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0333    1.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3250   16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0458   14.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  2  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8  7  1  0  0  0  0
  9  4  2  0  0  0  0
 10  8  2  0  0  0  0
 11  5  1  0  0  0  0
 12 10  1  0  0  0  0
 13 12  1  0  0  0  0
 14 15  2  0  0  0  0
 15  8  1  0  0  0  0
 16 14  1  0  0  0  0
 17 11  1  0  0  0  0
 18 11  1  0  0  0  0
  6  5  1  0  0  0  0
 16 12  2  0  0  0  0
M  END
>  <Mol_ID> (4,402)
4402

>  <Formula> (4,402)
C13H13ClN2O2

>  <MolWeight> (4,402)
264.70752

>  <COMPOUND_NAME> (4,402)
WAY-338129

>  <BAR_CODE_NO> (4,402)
313130

$$$$
WAY-338130
csChFnd80/06171916322D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -8.5542   10.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8167   11.5875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1583   11.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4708    7.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0333    6.5292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0333    3.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6667   13.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3042   13.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4417    2.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5917    2.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0792    6.5625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6667   14.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8792    3.3625    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -7.1917    3.5250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -9.9542    0.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5417    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4042    0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0458   14.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3250   16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  3  2  0  0  0  0
  8  2  1  0  0  0  0
  9  6  2  0  0  0  0
 10  6  1  0  0  0  0
 11  4  2  0  0  0  0
 12  7  1  0  0  0  0
 13  9  1  0  0  0  0
 14 10  1  0  0  0  0
 15 16  1  0  0  0  0
 16 10  2  0  0  0  0
 17  9  1  0  0  0  0
 18 12  1  0  0  0  0
 19 12  1  0  0  0  0
  8  7  1  0  0  0  0
 15 17  2  0  0  0  0
M  END
>  <Mol_ID> (4,403)
4403

>  <Formula> (4,403)
C13H12Cl2N2O2

>  <MolWeight> (4,403)
299.15258

>  <COMPOUND_NAME> (4,403)
WAY-338130

>  <BAR_CODE_NO> (4,403)
313131

$$$$
WAY-338131
csChFnd80/06171916322D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -8.5542   10.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8167   11.5875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1583   11.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4708    7.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6667   13.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3042   13.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0333    6.5292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0333    4.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6250    3.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0792    6.5625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4875    3.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6250    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6667   14.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4708    1.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0667    1.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1917    4.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3250   16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0458   14.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9167    1.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  2  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  4  2  0  0  0  0
 11  8  1  0  0  0  0
 12  9  1  0  0  0  0
 13  5  1  0  0  0  0
 14 11  2  0  0  0  0
 15 14  1  0  0  0  0
 16  9  1  0  0  0  0
 17 13  1  0  0  0  0
 18 13  1  0  0  0  0
 19 14  1  0  0  0  0
  6  5  1  0  0  0  0
 15 12  2  0  0  0  0
M  END
>  <Mol_ID> (4,404)
4404

>  <Formula> (4,404)
C14H16N2O3

>  <MolWeight> (4,404)
260.28844

>  <COMPOUND_NAME> (4,404)
WAY-338131

>  <BAR_CODE_NO> (4,404)
313132

$$$$
WAY-338134
csChFnd80/06171916322D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -8.5542   10.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8167   11.5875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1583   11.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4708    7.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6667   13.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3042   13.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0333    6.5292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6000    1.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6000    3.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0333    4.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0042    1.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0792    6.5625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4458    1.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6667   14.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1417    1.0625    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -8.4708    3.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0042   -0.7625    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0458   14.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3250   16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  2  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  7  1  0  0  0  0
 11 13  1  0  0  0  0
 12  4  2  0  0  0  0
 13 16  2  0  0  0  0
 14  5  1  0  0  0  0
 15  8  1  0  0  0  0
 16 10  1  0  0  0  0
 17 11  1  0  0  0  0
 18 14  1  0  0  0  0
 19 14  1  0  0  0  0
  6  5  1  0  0  0  0
 11  8  2  0  0  0  0
M  END
>  <Mol_ID> (4,405)
4405

>  <Formula> (4,405)
C13H12ClFN2O2

>  <MolWeight> (4,405)
282.6979832

>  <COMPOUND_NAME> (4,405)
WAY-338134

>  <BAR_CODE_NO> (4,405)
313135

$$$$
WAY-338137
csChFnd80/06171916322D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -8.5542   10.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8167   11.5875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1583   11.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4708    7.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6667   13.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3042   13.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0333    6.5292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0333    4.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6000    3.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6000    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0792    6.5625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4708    3.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6667   14.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0333    1.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1500    4.7042    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4708    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0333   -0.7167    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0458   14.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3250   16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  2  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11  4  2  0  0  0  0
 12  8  1  0  0  0  0
 13  5  1  0  0  0  0
 14 16  1  0  0  0  0
 15  9  1  0  0  0  0
 16 12  2  0  0  0  0
 17 14  1  0  0  0  0
 18 13  1  0  0  0  0
 19 13  1  0  0  0  0
  6  5  1  0  0  0  0
 14 10  2  0  0  0  0
M  END
>  <Mol_ID> (4,406)
4406

>  <Formula> (4,406)
C13H12F2N2O2

>  <MolWeight> (4,406)
266.2433864

>  <COMPOUND_NAME> (4,406)
WAY-338137

>  <BAR_CODE_NO> (4,406)
313138

$$$$
WAY-338147
csChFnd80/06171916322D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -8.8042   10.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1542   11.8542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6667    7.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3792   11.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2667    6.6792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8542   13.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5917   13.4792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2667    4.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8917    3.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2125    6.6792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6792    3.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8917    2.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8167   14.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6667    2.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2917    1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4917    4.8042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1000   14.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0750    1.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1083   16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4458   13.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  2  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  8  2  0  0  0  0
 10  3  2  0  0  0  0
 11  8  1  0  0  0  0
 12  9  1  0  0  0  0
 13  6  1  0  0  0  0
 14 11  2  0  0  0  0
 15 14  1  0  0  0  0
 16  9  1  0  0  0  0
 17 13  1  0  0  0  0
 18 14  1  0  0  0  0
 19 17  1  0  0  0  0
 20 17  1  0  0  0  0
  7  6  1  0  0  0  0
 15 12  2  0  0  0  0
M  END
>  <Mol_ID> (4,407)
4407

>  <Formula> (4,407)
C15H18N2O3

>  <MolWeight> (4,407)
274.31502

>  <COMPOUND_NAME> (4,407)
WAY-338147

>  <BAR_CODE_NO> (4,407)
313148

$$$$
WAY-338150
csChFnd80/06171916322D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -8.8042   10.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1542   11.8542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6667    7.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3792   11.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8542   13.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5917   13.4792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2667    6.6792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8625    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8625    3.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2667    4.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2375    1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2125    6.6792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6417    2.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8167   14.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4417    1.0833    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -8.6667    3.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2375   -0.7792    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1000   14.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1083   16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4458   13.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  7  1  0  0  0  0
 11 13  1  0  0  0  0
 12  3  2  0  0  0  0
 13 16  2  0  0  0  0
 14  5  1  0  0  0  0
 15  8  1  0  0  0  0
 16 10  1  0  0  0  0
 17 11  1  0  0  0  0
 18 14  1  0  0  0  0
 19 18  1  0  0  0  0
 20 18  1  0  0  0  0
  6  5  1  0  0  0  0
 11  8  2  0  0  0  0
M  END
>  <Mol_ID> (4,408)
4408

>  <Formula> (4,408)
C14H14ClFN2O2

>  <MolWeight> (4,408)
296.7245632

>  <COMPOUND_NAME> (4,408)
WAY-338150

>  <BAR_CODE_NO> (4,408)
313151

$$$$
WAY-338164
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -9.5250   11.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9042   12.7542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8250   12.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4667    8.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3292   14.5625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4250   14.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2042    7.2917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9458    2.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2042    5.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8250    7.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9458    4.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1792    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4292    2.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9958   12.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4667    4.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1667   16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.6750    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1792   -0.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7333   13.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3458   15.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  2  0  0  0  0
  7  4  1  0  0  0  0
  8 11  1  0  0  0  0
  9  7  1  0  0  0  0
 10  4  2  0  0  0  0
 11  9  2  0  0  0  0
 12 13  1  0  0  0  0
 13 15  2  0  0  0  0
 14  3  1  0  0  0  0
 15  9  1  0  0  0  0
 16  6  1  0  0  0  0
 17  8  1  0  0  0  0
 18 12  1  0  0  0  0
 19 14  1  0  0  0  0
 20 19  1  0  0  0  0
  5  6  1  0  0  0  0
 20 16  1  0  0  0  0
 12  8  2  0  0  0  0
M  END
>  <Mol_ID> (4,409)
4409

>  <Formula> (4,409)
C16H18N2O2

>  <MolWeight> (4,409)
270.32632

>  <COMPOUND_NAME> (4,409)
WAY-338164

>  <BAR_CODE_NO> (4,409)
313165

$$$$
WAY-338584
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -4.9750    5.8542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9458    5.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1333    7.5167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3958    7.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6333    8.8750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4375    7.8542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6792    8.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4375    5.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.1958    4.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7583    3.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6792   10.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9167    7.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792    4.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5833    2.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1542    8.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.1958    2.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6417    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4667    2.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958    0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0000    1.7333    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  -10.6792    4.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.1958    8.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8625   -0.9542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6792    2.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4375    1.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0500   -2.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.1958   10.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  2  0  0  0  0
  5  4  1  0  0  0  0
  6  7  1  0  0  0  0
  7 12  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  2  0  0  0  0
 10  2  1  0  0  0  0
 11  7  2  0  0  0  0
 12 15  1  0  0  0  0
 13 10  1  0  0  0  0
 14 10  2  0  0  0  0
 15  4  1  0  0  0  0
 16  9  1  0  0  0  0
 17 19  2  0  0  0  0
 18 13  2  0  0  0  0
 19 14  1  0  0  0  0
 20 16  1  0  0  0  0
 21  8  1  0  0  0  0
 22  6  1  0  0  0  0
 23 17  1  0  0  0  0
 24 21  2  0  0  0  0
 25 24  1  0  0  0  0
 26 23  1  0  0  0  0
 27 22  1  0  0  0  0
  3  5  1  0  0  0  0
 17 18  1  0  0  0  0
 16 25  2  0  0  0  0
M  END
>  <Mol_ID> (4,410)
4410

>  <Formula> (4,410)
C20H20ClN3O3

>  <MolWeight> (4,410)
385.8441

>  <COMPOUND_NAME> (4,410)
WAY-338584

>  <BAR_CODE_NO> (4,410)
313585

$$$$
WAY-338645
csChFnd80/06171916322D

 35 39  0  0  0  0  0  0  0  0999 V2000
   10.4583    8.6292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6042    5.2958    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.6042    9.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4583    6.3792    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.7375    6.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7375    8.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5917   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9125    5.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9375    9.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3042    5.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3292    9.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6125   -1.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0417    6.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0417    8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6042   12.0250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4583   -1.6292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2000    6.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2000    8.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6125   -4.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6125   -8.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0917    9.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0917    5.3417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6167   -5.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5917   -5.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5917   -7.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6167   -7.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2875    3.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6125  -11.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000    5.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6167  -12.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8333    8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0500    3.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1292    1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6167  -14.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000    2.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  6  1  0  0  0  0
 10  4  1  0  0  0  0
 11  1  1  0  0  0  0
 12  7  1  0  0  0  0
 13  8  2  0  0  0  0
 14  9  2  0  0  0  0
 15  3  2  0  0  0  0
 16  7  2  0  0  0  0
 17 18  1  0  0  0  0
 18 11  1  0  0  0  0
 19 12  1  0  0  0  0
 20 25  2  0  0  0  0
 21 14  1  0  0  0  0
 22 13  1  0  0  0  0
 23 19  1  0  0  0  0
 24 19  2  0  0  0  0
 25 24  1  0  0  0  0
 26 23  2  0  0  0  0
 27 10  1  0  0  0  0
 28 20  1  0  0  0  0
 29 17  1  0  0  0  0
 30 28  1  0  0  0  0
 31 21  1  0  0  0  0
 32 22  1  0  0  0  0
 33 27  2  0  0  0  0
 34 30  1  0  0  0  0
 35 29  2  0  0  0  0
  6  5  2  0  0  0  0
 10 17  2  0  0  0  0
 14 13  1  0  0  0  0
 33 35  1  0  0  0  0
 20 26  1  0  0  0  0
M  END
>  <Mol_ID> (4,411)
4411

>  <Formula> (4,411)
C28H28N2O5

>  <MolWeight> (4,411)
472.53232

>  <COMPOUND_NAME> (4,411)
WAY-338645

>  <BAR_CODE_NO> (4,411)
313646

$$$$
WAY-338694
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -6.8375    7.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5667    9.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0167    8.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2917   10.9375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8375    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6583    8.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1042    9.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5667   12.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0917    5.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3958   10.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1167   12.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0917    3.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5625    5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3167   13.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8375    3.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3958   13.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8250    1.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5750   14.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5708    0.9000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1292   14.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3542    1.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3542    3.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0917    0.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5708   -0.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3167   16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  2  0  0  0  0
  7  6  1  0  0  0  0
  8  4  2  0  0  0  0
  9  5  1  0  0  0  0
 10  7  1  0  0  0  0
 11 10  2  0  0  0  0
 12  9  1  0  0  0  0
 13  5  2  0  0  0  0
 14  8  1  0  0  0  0
 15 12  1  0  0  0  0
 16 11  1  0  0  0  0
 17 15  2  0  0  0  0
 18 14  2  0  0  0  0
 19 17  1  0  0  0  0
 20 16  2  0  0  0  0
 21 22  1  0  0  0  0
 22 12  2  0  0  0  0
 23 21  2  0  0  0  0
 24 19  1  0  0  0  0
 25 18  1  0  0  0  0
  2  7  2  0  0  0  0
  8 11  1  0  0  0  0
 18 20  1  0  0  0  0
 23 17  1  0  0  0  0
M  END
>  <Mol_ID> (4,412)
4412

>  <Formula> (4,412)
C20H16N2O2S

>  <MolWeight> (4,412)
348.41824

>  <COMPOUND_NAME> (4,412)
WAY-338694

>  <BAR_CODE_NO> (4,412)
313695

$$$$
WAY-338725
csChFnd80/06171916322D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -6.8250    7.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5667    9.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0042    8.2875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2792   10.9375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8375    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6542    8.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0917    9.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5667   12.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0917    5.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3708   10.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1042   12.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2917   13.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5708    5.2667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3833   13.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0917    3.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5667   14.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0917    0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1042   14.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2917   16.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -8.0917   -0.6000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3542    3.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8250    3.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3542    1.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8250    1.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  2  0  0  0  0
  7  6  1  0  0  0  0
  8  4  2  0  0  0  0
  9  5  1  0  0  0  0
 10  7  1  0  0  0  0
 11 10  2  0  0  0  0
 12  8  1  0  0  0  0
 13  5  2  0  0  0  0
 14 11  1  0  0  0  0
 15  9  1  0  0  0  0
 16 12  2  0  0  0  0
 17 24  2  0  0  0  0
 18 14  2  0  0  0  0
 19 16  1  0  0  0  0
 20 17  1  0  0  0  0
 21 15  1  0  0  0  0
 22 15  2  0  0  0  0
 23 21  2  0  0  0  0
 24 22  1  0  0  0  0
  2  7  2  0  0  0  0
  8 11  1  0  0  0  0
 23 17  1  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (4,413)
4413

>  <Formula> (4,413)
C18H10ClFN2O2

>  <MolWeight> (4,413)
340.7356032

>  <COMPOUND_NAME> (4,413)
WAY-338725

>  <BAR_CODE_NO> (4,413)
313726

$$$$
WAY-338745
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -5.2458   13.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9625   13.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7917   12.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9333   13.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7500   15.4417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0292    9.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1875   11.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4792   16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9917   11.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7250    9.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9792    9.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0042    8.4667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3750   15.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9625    8.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0042    6.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0042    1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0042   -0.9667    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5792    8.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.0292    4.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9625    4.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.0292    2.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9625    2.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9708    7.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8042    5.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5083    5.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  8  2  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8  1  1  0  0  0  0
  9  2  1  0  0  0  0
 10  7  1  0  0  0  0
 11  9  1  0  0  0  0
 12 11  1  0  0  0  0
 13  4  2  0  0  0  0
 14 11  2  0  0  0  0
 15 12  1  0  0  0  0
 16 22  2  0  0  0  0
 17 16  1  0  0  0  0
 18  6  2  0  0  0  0
 19 15  1  0  0  0  0
 20 15  2  0  0  0  0
 21 19  2  0  0  0  0
 22 20  1  0  0  0  0
 23 10  2  0  0  0  0
 24 18  1  0  0  0  0
 25 23  1  0  0  0  0
  2  5  1  0  0  0  0
 10  6  1  0  0  0  0
 25 24  2  0  0  0  0
 21 16  1  0  0  0  0
M  END
>  <Mol_ID> (4,414)
4414

>  <Formula> (4,414)
C18H12FN3O3

>  <MolWeight> (4,414)
337.3045832

>  <COMPOUND_NAME> (4,414)
WAY-338745

>  <BAR_CODE_NO> (4,414)
313746

$$$$
WAY-338746
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -4.9333   13.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4250   12.3417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3917   11.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7583   12.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2208   14.5167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6708    9.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0583   10.6292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0917   15.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3375   11.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5083    8.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3292    9.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2292    7.9542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2958   14.3875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2292    5.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4250    7.9250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -14.1292    4.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.1042    2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0000    1.3250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -7.1250    7.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7958    6.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2917    2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3292    4.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1917    1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4042    5.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2375    5.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  8  2  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8  1  1  0  0  0  0
  9  2  1  0  0  0  0
 10  7  1  0  0  0  0
 11  9  1  0  0  0  0
 12 11  1  0  0  0  0
 13  4  2  0  0  0  0
 14 12  1  0  0  0  0
 15 11  2  0  0  0  0
 16 14  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19  6  2  0  0  0  0
 20 10  2  0  0  0  0
 21 22  1  0  0  0  0
 22 14  2  0  0  0  0
 23 21  2  0  0  0  0
 24 19  1  0  0  0  0
 25 20  1  0  0  0  0
  2  5  1  0  0  0  0
 10  6  1  0  0  0  0
 25 24  2  0  0  0  0
 17 23  1  0  0  0  0
M  END
>  <Mol_ID> (4,415)
4415

>  <Formula> (4,415)
C18H12ClN3O3

>  <MolWeight> (4,415)
353.75918

>  <COMPOUND_NAME> (4,415)
WAY-338746

>  <BAR_CODE_NO> (4,415)
313747

$$$$
WAY-338747
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -5.2458   13.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9625   13.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7917   12.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9333   13.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7500   15.4417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0292    9.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1875   11.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4792   16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9917   11.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7250    9.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9792    9.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9792    2.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9792    4.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0042    8.4667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3750   15.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0042    6.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0042    1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9625    8.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -15.0292    2.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9375    1.4083    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  -15.0292    4.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5792    8.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9708    7.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0042   -0.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8042    5.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5083    5.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  8  2  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8  1  1  0  0  0  0
  9  2  1  0  0  0  0
 10  7  1  0  0  0  0
 11  9  1  0  0  0  0
 12 13  2  0  0  0  0
 13 16  1  0  0  0  0
 14 11  1  0  0  0  0
 15  4  2  0  0  0  0
 16 14  1  0  0  0  0
 17 19  2  0  0  0  0
 18 11  2  0  0  0  0
 19 21  1  0  0  0  0
 20 12  1  0  0  0  0
 21 16  2  0  0  0  0
 22  6  2  0  0  0  0
 23 10  2  0  0  0  0
 24 17  1  0  0  0  0
 25 22  1  0  0  0  0
 26 23  1  0  0  0  0
  2  5  1  0  0  0  0
 10  6  1  0  0  0  0
 26 25  2  0  0  0  0
 12 17  1  0  0  0  0
M  END
>  <Mol_ID> (4,416)
4416

>  <Formula> (4,416)
C19H14FN3O3

>  <MolWeight> (4,416)
351.3311632

>  <COMPOUND_NAME> (4,416)
WAY-338747

>  <BAR_CODE_NO> (4,416)
313748

$$$$
WAY-338749
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -5.2458   13.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9625   13.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7917   12.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9333   13.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7500   15.4417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0292    9.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1875   11.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4792   16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9917   11.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7250    9.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9792    9.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9792    2.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9792    4.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0042    8.4667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3750   15.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0042    6.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0042    1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9625    8.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -15.0417    2.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9250    1.3750    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  -15.0417    4.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5792    8.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0042   -0.9667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9708    7.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.0292   -2.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8042    5.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5083    5.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  8  2  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8  1  1  0  0  0  0
  9  2  1  0  0  0  0
 10  7  1  0  0  0  0
 11  9  1  0  0  0  0
 12 13  2  0  0  0  0
 13 16  1  0  0  0  0
 14 11  1  0  0  0  0
 15  4  2  0  0  0  0
 16 14  1  0  0  0  0
 17 19  2  0  0  0  0
 18 11  2  0  0  0  0
 19 21  1  0  0  0  0
 20 12  1  0  0  0  0
 21 16  2  0  0  0  0
 22  6  2  0  0  0  0
 23 17  1  0  0  0  0
 24 10  2  0  0  0  0
 25 23  1  0  0  0  0
 26 22  1  0  0  0  0
 27 24  1  0  0  0  0
  2  5  1  0  0  0  0
 10  6  1  0  0  0  0
 27 26  2  0  0  0  0
 12 17  1  0  0  0  0
M  END
>  <Mol_ID> (4,417)
4417

>  <Formula> (4,417)
C19H14ClN3O4

>  <MolWeight> (4,417)
383.78516

>  <COMPOUND_NAME> (4,417)
WAY-338749

>  <BAR_CODE_NO> (4,417)
313750

$$$$
WAY-338751
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -5.2458   13.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9625   13.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7917   12.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9333   13.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7500   15.4417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0292    9.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1875   11.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4792   16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9917   11.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7250    9.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9792    9.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9792    4.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9792    2.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0042    8.4667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3750   15.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0042    6.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0042    1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9625    8.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -15.0292    2.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.0292    4.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9375    1.4083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5792    8.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0042   -0.9167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9708    7.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9042    2.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.0292   -2.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8042    5.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5083    5.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  8  2  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8  1  1  0  0  0  0
  9  2  1  0  0  0  0
 10  7  1  0  0  0  0
 11  9  1  0  0  0  0
 12 16  1  0  0  0  0
 13 12  2  0  0  0  0
 14 11  1  0  0  0  0
 15  4  2  0  0  0  0
 16 14  1  0  0  0  0
 17 19  2  0  0  0  0
 18 11  2  0  0  0  0
 19 20  1  0  0  0  0
 20 16  2  0  0  0  0
 21 13  1  0  0  0  0
 22  6  2  0  0  0  0
 23 17  1  0  0  0  0
 24 10  2  0  0  0  0
 25 21  1  0  0  0  0
 26 23  1  0  0  0  0
 27 22  1  0  0  0  0
 28 24  1  0  0  0  0
  2  5  1  0  0  0  0
 10  6  1  0  0  0  0
 28 27  2  0  0  0  0
 13 17  1  0  0  0  0
M  END
>  <Mol_ID> (4,418)
4418

>  <Formula> (4,418)
C20H17N3O5

>  <MolWeight> (4,418)
379.36608

>  <COMPOUND_NAME> (4,418)
WAY-338751

>  <BAR_CODE_NO> (4,418)
313752

$$$$
WAY-338754
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -5.2458   13.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9625   13.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7917   12.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9333   13.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7500   15.4417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0292    9.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1875   11.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4792   16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9917   11.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7250    9.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9792    9.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0042    8.4667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3750   15.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0042    6.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9625    8.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9792    4.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0167    2.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5792    8.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9917    1.3875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9708    7.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.0625    2.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.0292    4.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0417    1.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0292   -0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8042    5.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5083    5.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  8  2  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8  1  1  0  0  0  0
  9  2  1  0  0  0  0
 10  7  1  0  0  0  0
 11  9  1  0  0  0  0
 12 11  1  0  0  0  0
 13  4  2  0  0  0  0
 14 12  1  0  0  0  0
 15 11  2  0  0  0  0
 16 14  1  0  0  0  0
 17 16  2  0  0  0  0
 18  6  2  0  0  0  0
 19 17  1  0  0  0  0
 20 10  2  0  0  0  0
 21 22  1  0  0  0  0
 22 14  2  0  0  0  0
 23 21  2  0  0  0  0
 24 19  1  0  0  0  0
 25 18  1  0  0  0  0
 26 20  1  0  0  0  0
  2  5  1  0  0  0  0
 10  6  1  0  0  0  0
 26 25  2  0  0  0  0
 17 23  1  0  0  0  0
M  END
>  <Mol_ID> (4,419)
4419

>  <Formula> (4,419)
C19H15N3O4

>  <MolWeight> (4,419)
349.3401

>  <COMPOUND_NAME> (4,419)
WAY-338754

>  <BAR_CODE_NO> (4,419)
313755

$$$$
WAY-338917
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -8.9458   11.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2125   11.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8000   12.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9250   14.4875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7000    9.8375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4708    9.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0875    8.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3458   12.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2000   14.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0875    7.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5875    6.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5500   13.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5875    6.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5708    1.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5875    4.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0875    1.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0875    1.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7750   16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5708   -0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6417   12.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0875    3.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0875    3.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3250   15.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0708   -1.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0708   -1.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7625   14.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6000   15.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  2  0  0  0  0
  8  2  1  0  0  0  0
  9  4  1  0  0  0  0
 10  7  1  0  0  0  0
 11 10  1  0  0  0  0
 12  3  2  0  0  0  0
 13 10  2  0  0  0  0
 14 16  1  0  0  0  0
 15 11  1  0  0  0  0
 16 22  2  0  0  0  0
 17 21  1  0  0  0  0
 18  4  1  0  0  0  0
 19 14  1  0  0  0  0
 20  8  2  0  0  0  0
 21 15  2  0  0  0  0
 22 15  1  0  0  0  0
 23  9  2  0  0  0  0
 24 19  1  0  0  0  0
 25 19  1  0  0  0  0
 26 20  1  0  0  0  0
 27 23  1  0  0  0  0
  5  7  1  0  0  0  0
  9  8  1  0  0  0  0
 27 26  2  0  0  0  0
 17 14  2  0  0  0  0
M  END
>  <Mol_ID> (4,420)
4420

>  <Formula> (4,420)
C22H20N2O2S

>  <MolWeight> (4,420)
376.4714

>  <COMPOUND_NAME> (4,420)
WAY-338917

>  <BAR_CODE_NO> (4,420)
313918

$$$$
WAY-338945
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
   -6.6500    2.8292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1542    3.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1542    5.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6250    2.8292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1875    3.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6500    1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1542    0.1750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6500    6.3375    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -8.1875    5.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6250    1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6125    6.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6500    8.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0750    7.2625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1542   -1.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1417    8.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1250   10.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7125    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6500   11.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1750    8.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1875   10.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6583   -2.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6250   -2.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1542   -5.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6000   11.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6250   -4.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6583   -4.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1542   -6.8625    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6500   13.3875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1583   14.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1000   10.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1750   16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
 10  7  1  0  0  0  0
 11  3  1  0  0  0  0
 12  8  1  0  0  0  0
 13 11  3  0  0  0  0
 14  7  1  0  0  0  0
 15 12  2  0  0  0  0
 16 15  1  0  0  0  0
 17  5  2  0  0  0  0
 18 20  1  0  0  0  0
 19 12  1  0  0  0  0
 20 19  2  0  0  0  0
 21 14  2  0  0  0  0
 22 14  1  0  0  0  0
 23 25  1  0  0  0  0
 24 16  1  0  0  0  0
 25 22  2  0  0  0  0
 26 21  1  0  0  0  0
 27 23  1  0  0  0  0
 28 18  1  0  0  0  0
 29 28  1  0  0  0  0
 30 24  1  0  0  0  0
 31 29  1  0  0  0  0
 10  4  1  0  0  0  0
  8  3  1  0  0  0  0
 26 23  2  0  0  0  0
 16 18  2  0  0  0  0
M  END
>  <Mol_ID> (4,421)
4421

>  <Formula> (4,421)
C23H22FN3O3S

>  <MolWeight> (4,421)
439.5024832

>  <COMPOUND_NAME> (4,421)
WAY-338945

>  <BAR_CODE_NO> (4,421)
313946

$$$$
WAY-338954
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
   11.4250   -8.0375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9375   -7.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9375   -5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9375  -10.6750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.4625   -8.0375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.9000   -7.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4250   -4.5250    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.4250   -9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9000   -5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4625   -9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4625   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4375   -2.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9375  -12.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -3.6125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3750   -8.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9375   -1.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4125  -13.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4375   -2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9500   -1.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4625  -13.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9000  -12.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9000   -0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4125  -15.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4500   -4.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8750  -10.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9500   -0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4750  -15.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9500  -15.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4500    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  8  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  9  1  0  0  0  0
  8  1  1  0  0  0  0
  9  6  1  0  0  0  0
 10  4  1  0  0  0  0
 11  3  1  0  0  0  0
 12  7  1  0  0  0  0
 13  4  1  0  0  0  0
 14 11  3  0  0  0  0
 15  6  2  0  0  0  0
 16 12  1  0  0  0  0
 17 13  2  0  0  0  0
 18 16  1  0  0  0  0
 19 12  2  0  0  0  0
 20 13  1  0  0  0  0
 21 17  1  0  0  0  0
 22 16  2  0  0  0  0
 23 17  1  0  0  0  0
 24 18  1  0  0  0  0
 25 21  1  0  0  0  0
 26 19  1  0  0  0  0
 27 20  2  0  0  0  0
 28 27  1  0  0  0  0
 29 26  2  0  0  0  0
  5 10  1  0  0  0  0
  3  7  1  0  0  0  0
 28 23  2  0  0  0  0
 22 29  1  0  0  0  0
M  END
>  <Mol_ID> (4,422)
4422

>  <Formula> (4,422)
C23H23N3O2S

>  <MolWeight> (4,422)
405.51262

>  <COMPOUND_NAME> (4,422)
WAY-338954

>  <BAR_CODE_NO> (4,422)
313955

$$$$
WAY-338955
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
   10.7625   -6.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2125   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2125   -4.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6625   -6.8250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.3125   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7625   -3.4875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.2125   -9.3375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7625   -8.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3125   -4.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6625   -8.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6625   -3.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7708   -1.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2125  -11.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6625  -11.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1250   -2.6125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.6750  -13.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8750   -6.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3500   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2250  -14.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7625  -11.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7625  -13.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1000  -14.3125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.9250   -1.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2250   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2250  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3125    0.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9375   -3.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2250    0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8000    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  8  1  1  0  0  0  0
  9  5  1  0  0  0  0
 10  7  1  0  0  0  0
 11  3  1  0  0  0  0
 12  6  1  0  0  0  0
 13  7  1  0  0  0  0
 14 13  1  0  0  0  0
 15 11  3  0  0  0  0
 16 14  2  0  0  0  0
 17  5  2  0  0  0  0
 18 12  1  0  0  0  0
 19 21  2  0  0  0  0
 20 13  2  0  0  0  0
 21 20  1  0  0  0  0
 22 16  1  0  0  0  0
 23 18  1  0  0  0  0
 24 12  2  0  0  0  0
 25 19  1  0  0  0  0
 26 18  2  0  0  0  0
 27 23  1  0  0  0  0
 28 24  1  0  0  0  0
 29 28  2  0  0  0  0
  4 10  1  0  0  0  0
  3  6  1  0  0  0  0
 16 19  1  0  0  0  0
 26 29  1  0  0  0  0
M  END
>  <Mol_ID> (4,423)
4423

>  <Formula> (4,423)
C22H20ClN3O2S

>  <MolWeight> (4,423)
425.9311

>  <COMPOUND_NAME> (4,423)
WAY-338955

>  <BAR_CODE_NO> (4,423)
313956

$$$$
WAY-339058
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -7.7833   13.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7833   11.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3375   14.3250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3458   10.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9125   13.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9125   11.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2375    6.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7833    6.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2375    4.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3458    9.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6958    3.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2375   14.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7833    8.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3458    6.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7125    1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3375   16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1625    0.9625    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.4750   10.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4750   14.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7750    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6958    6.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7750    1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2500    0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9375    6.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0375   11.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0375   13.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  9  7  1  0  0  0  0
 10  4  1  0  0  0  0
 11  9  2  0  0  0  0
 12  1  2  0  0  0  0
 13 10  1  0  0  0  0
 14  8  2  0  0  0  0
 15 11  1  0  0  0  0
 16  3  1  0  0  0  0
 17 15  1  0  0  0  0
 18  6  2  0  0  0  0
 19  5  2  0  0  0  0
 20  9  1  0  0  0  0
 21  7  1  0  0  0  0
 22 20  2  0  0  0  0
 23 22  1  0  0  0  0
 24 21  1  0  0  0  0
 25 26  2  0  0  0  0
 26 19  1  0  0  0  0
  6  4  1  0  0  0  0
 18 25  1  0  0  0  0
 23 15  2  0  0  0  0
M  END
>  <Mol_ID> (4,424)
4424

>  <Formula> (4,424)
C20H19ClN2O3

>  <MolWeight> (4,424)
370.82946

>  <COMPOUND_NAME> (4,424)
WAY-339058

>  <BAR_CODE_NO> (4,424)
314059

$$$$
WAY-339137
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
    6.4042   -2.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4542   -2.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8625   -0.9792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0167   -0.9792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4250    0.1708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5625   -4.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5042   -4.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6542   -5.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8500   -7.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7417   -7.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5750   -5.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9792   -9.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292   -8.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042   -0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7625   -6.2042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000   -4.4250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1875  -10.9542    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.5667    1.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3667   -3.8292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0667  -10.5417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2583    2.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0417    2.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -10.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2167   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6292    4.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6833    4.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7750    5.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10 11  2  0  0  0  0
 11  8  1  0  0  0  0
 12  9  1  0  0  0  0
 13 10  1  0  0  0  0
 14  3  1  0  0  0  0
 15  6  2  0  0  0  0
 16  2  1  0  0  0  0
 17 12  1  0  0  0  0
 18 14  1  0  0  0  0
 19 11  1  0  0  0  0
 20 13  1  0  0  0  0
 21 18  1  0  0  0  0
 22 18  2  0  0  0  0
 23 20  1  0  0  0  0
 24 19  1  0  0  0  0
 25 22  1  0  0  0  0
 26 21  2  0  0  0  0
 27 25  2  0  0  0  0
  5  3  1  0  0  0  0
 12 13  2  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (4,425)
4425

>  <Formula> (4,425)
C18H18ClN5O3

>  <MolWeight> (4,425)
387.82022

>  <COMPOUND_NAME> (4,425)
WAY-339137

>  <BAR_CODE_NO> (4,425)
314138

$$$$
WAY-339138
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    5.0740    5.5288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6730    5.5288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2498    6.8581    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5113    6.8581    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3709    7.6819    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8978    4.3954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2901    4.5423    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9170    7.3023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3277    3.1203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8492    4.3954    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1139    3.4037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7406    1.1334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6144    8.6579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5644    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    9.4887    3.5506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5367    2.1286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3483    0.9952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3265    2.4224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3026    9.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    9.6024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3717   10.9736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0424   11.4039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  3  1  0  0  0  0
  9  6  2  0  0  0  0
 10  2  1  0  0  0  0
 11  7  1  0  0  0  0
 12 17  2  0  0  0  0
 13  8  1  0  0  0  0
 14 12  1  0  0  0  0
 15 11  1  0  0  0  0
 16 11  2  0  0  0  0
 17 16  1  0  0  0  0
 18 15  2  0  0  0  0
 19 13  1  0  0  0  0
 20 13  2  0  0  0  0
 21 20  1  0  0  0  0
 22 19  2  0  0  0  0
 23 21  2  0  0  0  0
  5  3  1  0  0  0  0
 18 12  1  0  0  0  0
 23 22  1  0  0  0  0
M  END
>  <Mol_ID> (4,426)
4426

>  <Formula> (4,426)
C16H14BrN5O

>  <MolWeight> (4,426)
372.21926

>  <COMPOUND_NAME> (4,426)
WAY-339138

>  <BAR_CODE_NO> (4,426)
314139

$$$$
WAY-339139
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
    9.1750   -5.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7167   -5.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2792   -4.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6042   -4.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4375   -3.3750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0167   -6.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4542   -6.6125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2917   -7.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9167   -3.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4292   -8.0792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8667   -6.7625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5417  -10.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5625   -8.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6917   -9.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7167   -7.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9750  -10.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6125   -2.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0167    0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2417   -1.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6917   -1.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3917   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9375   -0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9542  -11.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7125    1.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  3  1  0  0  0  0
 10  6  2  0  0  0  0
 11  2  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14  8  2  0  0  0  0
 15  8  1  0  0  0  0
 16 13  1  0  0  0  0
 17  9  1  0  0  0  0
 18 21  2  0  0  0  0
 19 17  1  0  0  0  0
 20 17  2  0  0  0  0
 21 20  1  0  0  0  0
 22 19  2  0  0  0  0
 23 12  1  0  0  0  0
 24 13  1  0  0  0  0
 25 18  1  0  0  0  0
  3  5  1  0  0  0  0
 16 12  2  0  0  0  0
 22 18  1  0  0  0  0
M  END
>  <Mol_ID> (4,427)
4427

>  <Formula> (4,427)
C19H21N5O

>  <MolWeight> (4,427)
335.40294

>  <COMPOUND_NAME> (4,427)
WAY-339139

>  <BAR_CODE_NO> (4,427)
314140

$$$$
WAY-339141
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   10.0417   -5.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5167   -5.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0625   -4.4250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5125   -4.4250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2750   -3.5292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9417   -7.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4542   -6.9417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6167   -3.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3167   -8.4917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6292   -7.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000   -2.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3417   -8.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8750   -2.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1125  -10.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -11.8625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   12.7042   -9.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8375   -8.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5375   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6042  -10.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7292   -9.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1250    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4375   -1.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6750    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0917   -0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  3  1  0  0  0  0
  9  6  2  0  0  0  0
 10  2  1  0  0  0  0
 11  8  1  0  0  0  0
 12  7  1  0  0  0  0
 13 11  1  0  0  0  0
 14 20  1  0  0  0  0
 15 14  1  0  0  0  0
 16 12  2  0  0  0  0
 17 12  1  0  0  0  0
 18 13  2  0  0  0  0
 19 16  1  0  0  0  0
 20 17  2  0  0  0  0
 21 22  1  0  0  0  0
 22 11  2  0  0  0  0
 23 21  2  0  0  0  0
 24 18  1  0  0  0  0
  3  5  1  0  0  0  0
 19 14  2  0  0  0  0
 18 23  1  0  0  0  0
M  END
>  <Mol_ID> (4,428)
4428

>  <Formula> (4,428)
C17H16BrN5O

>  <MolWeight> (4,428)
386.24584

>  <COMPOUND_NAME> (4,428)
WAY-339141

>  <BAR_CODE_NO> (4,428)
314142

$$$$
WAY-339191
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
    4.8502    2.1133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0766    2.8131    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8502    0.7137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6376    2.8131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6376    0.0139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4320    2.1133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2891    3.5129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4320    0.7137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7764    1.5867    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3768    4.0395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0766    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3030    4.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5017    2.8131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7281    4.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7211    3.5129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5155    5.6123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9406    5.6123    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.2195    2.8131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2195    0.0139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9  2  2  0  0  0  0
 10  2  2  0  0  0  0
 11  3  2  0  0  0  0
 12  7  1  0  0  0  0
 13  7  2  0  0  0  0
 14 15  2  0  0  0  0
 15 13  1  0  0  0  0
 16 12  2  0  0  0  0
 17 14  1  0  0  0  0
 18  6  2  0  0  0  0
 19  8  2  0  0  0  0
 20 18  1  0  0  0  0
 21 20  2  0  0  0  0
  5  8  1  0  0  0  0
 14 16  1  0  0  0  0
 21 19  1  0  0  0  0
M  END
>  <Mol_ID> (4,429)
4429

>  <Formula> (4,429)
C15H9BrO4S

>  <MolWeight> (4,429)
365.19856

>  <COMPOUND_NAME> (4,429)
WAY-339191

>  <BAR_CODE_NO> (4,429)
314192

$$$$
WAY-339197
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    5.9375   -2.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9500   -1.5500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.9375   -5.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9250   -1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9250   -6.1625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9250   -2.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9250   -5.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9625   -0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1000   -3.5625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7875    0.4875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9500   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0625   -1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0625   -6.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9750    1.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9750   -1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0750   -2.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0750   -5.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9625   -0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9750    3.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9875    1.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0917   -1.5125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   16.0000    3.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  2  1  0  0  0  0
  9  2  2  0  0  0  0
 10  2  2  0  0  0  0
 11  3  2  0  0  0  0
 12  6  2  0  0  0  0
 13  7  2  0  0  0  0
 14  8  1  0  0  0  0
 15  8  2  0  0  0  0
 16 12  1  0  0  0  0
 17 16  2  0  0  0  0
 18 15  1  0  0  0  0
 19 14  2  0  0  0  0
 20 18  2  0  0  0  0
 21 16  1  0  0  0  0
 22 20  1  0  0  0  0
  7  5  1  0  0  0  0
 13 17  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (4,430)
4430

>  <Formula> (4,430)
C16H11BrO4S

>  <MolWeight> (4,430)
379.22514

>  <COMPOUND_NAME> (4,430)
WAY-339197

>  <BAR_CODE_NO> (4,430)
314198

$$$$
WAY-339198
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
    4.6125   -3.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5250   -2.4125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.6125   -5.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7375   -2.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7375   -6.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8625   -3.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8625   -5.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000   -1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6000   -4.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4375   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5250   -6.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0875    1.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1750    0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0125   -2.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0125   -6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2875   -2.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4250    0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3000    1.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1750   -1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9250   -3.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9250   -5.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8000   -2.4000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   16.0000    3.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0000    3.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1875    0.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  2  1  0  0  0  0
  9  2  2  0  0  0  0
 10  2  2  0  0  0  0
 11  3  2  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  0  0  0  0
 14  6  2  0  0  0  0
 15  7  2  0  0  0  0
 16  8  2  0  0  0  0
 17  8  1  0  0  0  0
 18 17  2  0  0  0  0
 19 16  1  0  0  0  0
 20 14  1  0  0  0  0
 21 20  2  0  0  0  0
 22 20  1  0  0  0  0
 23 12  1  0  0  0  0
 24 12  1  0  0  0  0
 25 12  1  0  0  0  0
  7  5  1  0  0  0  0
 19 13  2  0  0  0  0
 15 21  1  0  0  0  0
M  END
>  <Mol_ID> (4,431)
4431

>  <Formula> (4,431)
C19H17BrO4S

>  <MolWeight> (4,431)
421.30488

>  <COMPOUND_NAME> (4,431)
WAY-339198

>  <BAR_CODE_NO> (4,431)
314199

$$$$
WAY-339199
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    5.9375   -2.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9500   -1.5500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.9375   -5.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9250   -1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9250   -6.1625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9250   -2.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9250   -5.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9625   -0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1000   -3.5625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7875    0.4875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9500   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0625   -1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0625   -6.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9750    1.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9750   -1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0750   -2.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0750   -5.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9625   -0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9750    3.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9875    1.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0917   -1.5125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   16.0000    3.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  2  1  0  0  0  0
  9  2  2  0  0  0  0
 10  2  2  0  0  0  0
 11  3  2  0  0  0  0
 12  6  2  0  0  0  0
 13  7  2  0  0  0  0
 14  8  1  0  0  0  0
 15  8  2  0  0  0  0
 16 12  1  0  0  0  0
 17 16  2  0  0  0  0
 18 15  1  0  0  0  0
 19 14  2  0  0  0  0
 20 18  2  0  0  0  0
 21 16  1  0  0  0  0
 22 20  1  0  0  0  0
  7  5  1  0  0  0  0
 13 17  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (4,432)
4432

>  <Formula> (4,432)
C16H11ClO4S

>  <MolWeight> (4,432)
334.77414

>  <COMPOUND_NAME> (4,432)
WAY-339199

>  <BAR_CODE_NO> (4,432)
314200

$$$$
WAY-339210
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
    4.6125   -3.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5250   -2.4125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.6125   -5.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7375   -2.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7375   -6.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8625   -3.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8625   -5.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000   -1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6000   -4.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4375   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5250   -6.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0875    1.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1750    0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0125   -2.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0125   -6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2875   -2.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4250    0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3000    1.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1750   -1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9250   -3.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9250   -5.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8000   -2.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000    3.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0000    3.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1875    0.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6583   -3.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  2  1  0  0  0  0
  9  2  2  0  0  0  0
 10  2  2  0  0  0  0
 11  3  2  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  0  0  0  0
 14  6  2  0  0  0  0
 15  7  2  0  0  0  0
 16  8  2  0  0  0  0
 17  8  1  0  0  0  0
 18 17  2  0  0  0  0
 19 16  1  0  0  0  0
 20 14  1  0  0  0  0
 21 20  2  0  0  0  0
 22 20  1  0  0  0  0
 23 12  1  0  0  0  0
 24 12  1  0  0  0  0
 25 12  1  0  0  0  0
 26 22  1  0  0  0  0
  7  5  1  0  0  0  0
 19 13  2  0  0  0  0
 15 21  1  0  0  0  0
M  END
>  <Mol_ID> (4,433)
4433

>  <Formula> (4,433)
C20H20O5S

>  <MolWeight> (4,433)
372.4348

>  <COMPOUND_NAME> (4,433)
WAY-339210

>  <BAR_CODE_NO> (4,433)
314211

$$$$
WAY-339218
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
    9.9792   -7.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1917   -6.6500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.9792   -8.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7875   -6.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7875   -9.4042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5917   -7.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3875   -5.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5917   -8.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8792   -7.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5042   -5.4375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1917   -9.4167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4042   -4.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5792   -6.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7917   -4.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6000   -3.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7917   -5.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -3.8875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.4042   -6.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4042   -9.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1917   -7.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1917   -8.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9  2  2  0  0  0  0
 10  2  2  0  0  0  0
 11  3  2  0  0  0  0
 12  7  1  0  0  0  0
 13  7  2  0  0  0  0
 14 16  2  0  0  0  0
 15 12  2  0  0  0  0
 16 13  1  0  0  0  0
 17 14  1  0  0  0  0
 18  6  2  0  0  0  0
 19  8  2  0  0  0  0
 20 18  1  0  0  0  0
 21 20  2  0  0  0  0
  8  5  1  0  0  0  0
 15 14  1  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <Mol_ID> (4,434)
4434

>  <Formula> (4,434)
C15H9ClO4S

>  <MolWeight> (4,434)
320.74756

>  <COMPOUND_NAME> (4,434)
WAY-339218

>  <BAR_CODE_NO> (4,434)
314219

$$$$
WAY-339491
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -4.5708    6.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3333    6.3375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6583    7.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8833    6.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708    3.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4708    7.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708    2.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    4.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8625    6.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7042    6.9542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    2.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1500    2.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    5.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708    5.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    4.2042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8625    1.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1500    1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    1.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2833    1.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4333    1.3333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    6.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8833    8.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    6.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1042    7.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    5.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9958    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4375    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6917    8.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  8  1  0  0  0  0
  6  3  1  0  0  0  0
  7  5  1  0  0  0  0
  8 13  1  0  0  0  0
  9  1  1  0  0  0  0
 10  4  2  0  0  0  0
 11  7  2  0  0  0  0
 12  7  1  0  0  0  0
 13 14  1  0  0  0  0
 14  9  2  0  0  0  0
 15  5  2  0  0  0  0
 16 17  1  0  0  0  0
 17 12  2  0  0  0  0
 18 11  1  0  0  0  0
 19 18  1  0  0  0  0
 20 17  1  0  0  0  0
 21  9  1  0  0  0  0
 22  6  2  0  0  0  0
 23 21  2  0  0  0  0
 24 10  1  0  0  0  0
 25 23  1  0  0  0  0
 26 19  1  0  0  0  0
 27 20  1  0  0  0  0
 28 22  1  0  0  0  0
  4  6  1  0  0  0  0
 13 25  2  0  0  0  0
 28 24  2  0  0  0  0
 18 16  2  0  0  0  0
M  END
>  <Mol_ID> (4,435)
4435

>  <Formula> (4,435)
C21H17N3O3S

>  <MolWeight> (4,435)
391.44298

>  <COMPOUND_NAME> (4,435)
WAY-339491

>  <BAR_CODE_NO> (4,435)
314492

$$$$
WAY-339495
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -4.5708    6.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3333    6.3375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6583    7.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708    2.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708    3.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8833    6.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1500    2.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4708    7.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    4.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8625    6.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7042    6.9542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    4.2042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    5.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708    5.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1500    1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4375    2.9833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    2.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4375    1.3333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    6.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    1.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8833    8.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    6.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1042    7.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8625    1.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    5.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7250    2.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6917    8.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  5  1  0  0  0  0
  5  9  1  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8  3  1  0  0  0  0
  9 13  1  0  0  0  0
 10  1  1  0  0  0  0
 11  6  2  0  0  0  0
 12  5  2  0  0  0  0
 13 14  1  0  0  0  0
 14 10  2  0  0  0  0
 15  7  2  0  0  0  0
 16  7  1  0  0  0  0
 17  4  2  0  0  0  0
 18 15  1  0  0  0  0
 19 10  1  0  0  0  0
 20 17  1  0  0  0  0
 21  8  2  0  0  0  0
 22 19  2  0  0  0  0
 23 11  1  0  0  0  0
 24 20  2  0  0  0  0
 25 22  1  0  0  0  0
 26 16  1  0  0  0  0
 27 18  1  0  0  0  0
 28 21  1  0  0  0  0
  6  8  1  0  0  0  0
 13 25  2  0  0  0  0
 28 23  2  0  0  0  0
 24 15  1  0  0  0  0
M  END
>  <Mol_ID> (4,436)
4436

>  <Formula> (4,436)
C21H17N3O3S

>  <MolWeight> (4,436)
391.44298

>  <COMPOUND_NAME> (4,436)
WAY-339495

>  <BAR_CODE_NO> (4,436)
314496

$$$$
WAY-339500
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
   12.2214    6.4398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6650    7.1437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3968    6.4730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6006    5.6998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2757    7.8685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0111    7.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1528    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4506    7.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0636    8.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5026    9.3272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2343    8.6648    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    7.7608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0023    6.9372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7157    6.5256    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7160    8.1715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4256    7.7588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4245    6.9360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2069    6.6858    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.6916    7.3442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2068    8.0135    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5186    7.3016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9051    6.5728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7274    6.5381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1697    7.2422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7848    7.9653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9554    7.9971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7112    8.5664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5334    8.5382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
  6  8  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 17  2  0  0  0  0
 16 15  2  0  0  0  0
 15 12  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 16  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 21  1  0  0  0  0
 25 11  1  0  0  0  0
  5 27  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (4,437)
4437

>  <Formula> (4,437)
C21H17N3O3S

>  <MolWeight> (4,437)
391.44298

>  <COMPOUND_NAME> (4,437)
WAY-339500

>  <BAR_CODE_NO> (4,437)
314501

$$$$
WAY-339503
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -4.5708    6.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3333    6.3375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6583    7.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8833    6.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708    3.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4708    7.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    4.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8625    6.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708    2.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7042    6.9542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    5.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708    5.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    4.2125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1500    2.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1500    1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4375    1.3333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    6.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    2.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8833    8.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    6.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    1.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1042    7.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    5.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8625    1.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6917    8.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  7  1  0  0  0  0
  6  3  1  0  0  0  0
  7 11  1  0  0  0  0
  8  1  1  0  0  0  0
  9  5  1  0  0  0  0
 10  4  2  0  0  0  0
 11 12  1  0  0  0  0
 12  8  2  0  0  0  0
 13  5  2  0  0  0  0
 14  9  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17  8  1  0  0  0  0
 18  9  2  0  0  0  0
 19  6  2  0  0  0  0
 20 17  2  0  0  0  0
 21 18  1  0  0  0  0
 22 10  1  0  0  0  0
 23 20  1  0  0  0  0
 24 21  2  0  0  0  0
 25 16  1  0  0  0  0
 26 19  1  0  0  0  0
  4  6  1  0  0  0  0
 11 23  2  0  0  0  0
 26 22  2  0  0  0  0
 15 24  1  0  0  0  0
M  END
>  <Mol_ID> (4,438)
4438

>  <Formula> (4,438)
C20H15N3O2S

>  <MolWeight> (4,438)
361.417

>  <COMPOUND_NAME> (4,438)
WAY-339503

>  <BAR_CODE_NO> (4,438)
314504

$$$$
WAY-339597
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -1.0083   -0.9417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208   -0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4875   -0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083    0.3875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4875    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2250   -1.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2000    0.1333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3208   -0.3000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4875   -1.1042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4875    1.3708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0208   -1.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9250    0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6458   -2.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6000   -1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9167    1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6500    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8625   -3.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6625   -3.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3750    0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6417    1.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3667    1.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  6  1  0  0  0  0
  9  4  2  0  0  0  0
 10  3  1  0  0  0  0
 11  6  2  0  0  0  0
 12  7  1  0  0  0  0
 13  8  1  0  0  0  0
 14  7  2  0  0  0  0
 15 12  1  0  0  0  0
 16 12  2  0  0  0  0
 17 13  1  0  0  0  0
 18 13  2  0  0  0  0
 19 14  1  0  0  0  0
 20 19  2  0  0  0  0
 21 18  1  0  0  0  0
 22 17  2  0  0  0  0
 23 21  2  0  0  0  0
  5  2  1  0  0  0  0
 16 20  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (4,439)
4439

>  <Formula> (4,439)
C17H15N3OS2

>  <MolWeight> (4,439)
341.4505

>  <COMPOUND_NAME> (4,439)
WAY-339597

>  <BAR_CODE_NO> (4,439)
314598

$$$$
WAY-339611
csChFnd80/06171916322D

 33 36  0  0  0  0  0  0  0  0999 V2000
    2.1917   -2.5917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.9125   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917   -3.4167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6250   -0.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917   -1.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3417   -0.5167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9125   -1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1667   -5.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0542   -0.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7667   -0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667   -2.5917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0167   -2.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4667   -3.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8917   -3.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875   -4.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4625   -4.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6167    0.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4792   -0.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792   -1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1542   -5.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917    0.7083    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.1917   -0.5167    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.0417    0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7667   -1.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7542    1.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4792    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4375   -6.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8625   -6.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8542   -7.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4250   -7.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292   -7.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  5  2  0  0  0  0
  8 16  1  0  0  0  0
  9  6  1  0  0  0  0
 10  9  2  0  0  0  0
 11  1  2  0  0  0  0
 12  1  2  0  0  0  0
 13  3  1  0  0  0  0
 14  3  1  0  0  0  0
 15 22  1  0  0  0  0
 16 14  1  0  0  0  0
 17 13  1  0  0  0  0
 18  4  2  0  0  0  0
 19 10  1  0  0  0  0
 20  5  1  0  0  0  0
 21  8  1  0  0  0  0
 22 20  2  0  0  0  0
 23 15  1  0  0  0  0
 24 19  1  0  0  0  0
 25  9  1  0  0  0  0
 26 10  1  0  0  0  0
 27 25  2  0  0  0  0
 28 27  1  0  0  0  0
 29 21  2  0  0  0  0
 30 21  1  0  0  0  0
 31 30  2  0  0  0  0
 32 29  1  0  0  0  0
 33 31  1  0  0  0  0
  8 17  1  0  0  0  0
 15  2  2  0  0  0  0
 33 32  2  0  0  0  0
 28 19  2  0  0  0  0
M  END
>  <Mol_ID> (4,440)
4440

>  <Formula> (4,440)
C24H23ClFN3O3S

>  <MolWeight> (4,440)
487.9741232

>  <COMPOUND_NAME> (4,440)
WAY-339611

>  <BAR_CODE_NO> (4,440)
314612

$$$$
WAY-339612
csChFnd80/06171916322D

 34 37  0  0  0  0  0  0  0  0999 V2000
    3.9542   -3.7792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.2417   -3.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6667   -4.1917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1000   -3.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5292   -3.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0875   -5.0167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3875   -3.3667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8167   -3.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5417   -4.4917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3667   -3.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2417   -2.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6667   -5.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3792   -3.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333   -3.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8042   -5.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3750   -5.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0917   -4.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042   -4.6042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8125   -2.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5167   -2.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0458   -3.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7917   -6.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5125   -5.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9542   -2.1250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.2250   -6.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2250   -5.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5042   -6.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9292   -6.6667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3250   -4.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0458   -2.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7583   -3.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6500   -6.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333   -5.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7583   -4.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  8  1  0  0  0  0
  5  2  1  0  0  0  0
  6 17  1  0  0  0  0
  7  4  1  0  0  0  0
  8  5  2  0  0  0  0
  9  1  2  0  0  0  0
 10  1  2  0  0  0  0
 11  2  2  0  0  0  0
 12  3  1  0  0  0  0
 13  3  1  0  0  0  0
 14  7  1  0  0  0  0
 15  6  1  0  0  0  0
 16 12  1  0  0  0  0
 17 13  1  0  0  0  0
 18  4  2  0  0  0  0
 19 20  2  0  0  0  0
 20 11  1  0  0  0  0
 21 14  2  0  0  0  0
 22 15  2  0  0  0  0
 23 15  1  0  0  0  0
 24 11  1  0  0  0  0
 25 26  1  0  0  0  0
 26 23  2  0  0  0  0
 27 22  1  0  0  0  0
 28 25  1  0  0  0  0
 29 14  1  0  0  0  0
 30 21  1  0  0  0  0
 31 21  1  0  0  0  0
 32 28  1  0  0  0  0
 33 29  2  0  0  0  0
 34 33  1  0  0  0  0
 16  6  1  0  0  0  0
 19  8  1  0  0  0  0
 27 25  2  0  0  0  0
 31 34  2  0  0  0  0
M  END
>  <Mol_ID> (4,441)
4441

>  <Formula> (4,441)
C25H26FN3O4S

>  <MolWeight> (4,441)
483.5550432

>  <COMPOUND_NAME> (4,441)
WAY-339612

>  <BAR_CODE_NO> (4,441)
314613

$$$$
WAY-339617
csChFnd80/06171916322D

 33 36  0  0  0  0  0  0  0  0999 V2000
    5.7375   -3.1625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.4625   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0167   -3.5792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4625   -1.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1667   -0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5917   -4.4167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1667   -1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8792   -0.2750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1625   -3.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3167   -2.4417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1667   -3.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3000   -3.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0292   -4.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8792   -4.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5875   -3.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3167   -4.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5917   -0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4542   -0.2750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5917   -1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8792   -1.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8792   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8917   -5.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1542   -4.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3042   -1.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1667   -3.9792    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.4625   -5.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917   -6.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4417   -4.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3042   -2.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7417   -6.1167    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.0167   -0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3042   -0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0167   -1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  7  1  0  0  0  0
  6 16  1  0  0  0  0
  7  4  2  0  0  0  0
  8  5  1  0  0  0  0
  9  1  2  0  0  0  0
 10  1  2  0  0  0  0
 11  2  2  0  0  0  0
 12  3  1  0  0  0  0
 13  3  1  0  0  0  0
 14  6  1  0  0  0  0
 15 12  1  0  0  0  0
 16 13  1  0  0  0  0
 17  8  1  0  0  0  0
 18  5  2  0  0  0  0
 19 17  2  0  0  0  0
 20 21  2  0  0  0  0
 21 11  1  0  0  0  0
 22 14  1  0  0  0  0
 23 14  2  0  0  0  0
 24 19  1  0  0  0  0
 25 11  1  0  0  0  0
 26 28  2  0  0  0  0
 27 22  2  0  0  0  0
 28 23  1  0  0  0  0
 29 24  1  0  0  0  0
 30 26  1  0  0  0  0
 31 32  2  0  0  0  0
 32 17  1  0  0  0  0
 33 31  1  0  0  0  0
  6 15  1  0  0  0  0
 20  7  1  0  0  0  0
 26 27  1  0  0  0  0
 33 24  2  0  0  0  0
M  END
>  <Mol_ID> (4,442)
4442

>  <Formula> (4,442)
C23H20ClF2N3O3S

>  <MolWeight> (4,442)
491.9380064

>  <COMPOUND_NAME> (4,442)
WAY-339617

>  <BAR_CODE_NO> (4,442)
314618

$$$$
WAY-339639
csChFnd80/06171916322D

 28 30  0  0  0  0  0  0  0  0999 V2000
    8.2542   -4.3667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.1167   -4.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4000   -4.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5417   -4.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9667   -3.9542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8292   -4.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4000   -3.5542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8417   -3.6542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6667   -5.0792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9667   -1.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1167   -5.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6792   -2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6792   -3.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6875   -4.7917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2417   -2.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5417   -5.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8292   -6.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2500   -3.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9625   -1.0667    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.9667   -3.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4000   -6.0250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.5292   -1.9000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.6667   -4.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9042   -3.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4292   -4.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5167   -2.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3667   -2.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7417   -3.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  6  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  2  0  0  0  0
  7  3  1  0  0  0  0
  8  1  2  0  0  0  0
  9  1  2  0  0  0  0
 10 12  1  0  0  0  0
 11 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13  7  1  0  0  0  0
 14  3  2  0  0  0  0
 15 18  1  0  0  0  0
 16  4  1  0  0  0  0
 17 16  2  0  0  0  0
 18 20  2  0  0  0  0
 19 10  1  0  0  0  0
 20 13  1  0  0  0  0
 21 11  1  0  0  0  0
 22 15  1  0  0  0  0
 23  5  1  0  0  0  0
 24  5  1  0  0  0  0
 25 23  1  0  0  0  0
 26 24  1  0  0  0  0
 27 26  1  0  0  0  0
 28 25  1  0  0  0  0
 28 27  1  0  0  0  0
 11  2  2  0  0  0  0
 15 10  2  0  0  0  0
M  END
>  <Mol_ID> (4,443)
4443

>  <Formula> (4,443)
C19H19F3N2O3S

>  <MolWeight> (4,443)
412.4259696

>  <COMPOUND_NAME> (4,443)
WAY-339639

>  <BAR_CODE_NO> (4,443)
314640

$$$$
WAY-339696
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    4.8875   -3.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1667   -3.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8875   -4.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6042   -3.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1667   -5.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4542   -3.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4542   -4.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3167   -3.9792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6042   -5.2250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6125   -2.7417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0292   -3.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1667   -2.7417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7417   -3.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4625   -3.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1792   -3.9917    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.7417   -3.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7417   -5.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7417   -2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0292   -2.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4625   -2.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0292   -3.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0292   -4.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  5  1  0  0  0  0
  8  4  1  0  0  0  0
  9  3  2  0  0  0  0
 10  4  2  0  0  0  0
 11  8  1  0  0  0  0
 12  2  1  0  0  0  0
 13 11  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16  6  1  0  0  0  0
 17  7  1  0  0  0  0
 18 19  1  0  0  0  0
 19 11  2  0  0  0  0
 20 18  2  0  0  0  0
 21 16  2  0  0  0  0
 22 17  2  0  0  0  0
  7  6  2  0  0  0  0
 22 21  1  0  0  0  0
 20 14  1  0  0  0  0
M  END
>  <Mol_ID> (4,444)
4444

>  <Formula> (4,444)
C16H11BrN2O3

>  <MolWeight> (4,444)
359.17414

>  <COMPOUND_NAME> (4,444)
WAY-339696

>  <BAR_CODE_NO> (4,444)
314697

$$$$
WAY-339717
csChFnd80/06171916322D

 33 36  0  0  0  0  0  0  0  0999 V2000
   -2.0125    2.2083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833    2.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2875    3.4708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0208    3.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7458    2.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2458    2.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6250    3.7458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2333    3.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083    1.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9875    2.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0458    3.0833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9708    1.3208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1500    4.6542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792    4.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167    5.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833    3.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8500    5.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833    1.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167    3.3958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3792    4.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8125    3.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3500    5.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167    4.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6167    6.0792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458    0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0792    5.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4333    1.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458    2.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208    5.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000    6.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2458    0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  6  2  0  0  0  0
  5  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7  4  1  0  0  0  0
  8 10  2  0  0  0  0
  9  1  1  0  0  0  0
 10  6  1  0  0  0  0
 11  2  1  0  0  0  0
 12  5  2  0  0  0  0
 13 16  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 21  1  0  0  0  0
 17 15  2  0  0  0  0
 18  9  2  0  0  0  0
 19 16  2  0  0  0  0
 20 14  2  0  0  0  0
 21 11  1  0  0  0  0
 22 23  2  0  0  0  0
 23 20  1  0  0  0  0
 24 15  1  0  0  0  0
 25  9  1  0  0  0  0
 26 22  1  0  0  0  0
 27 10  1  0  0  0  0
 28 18  1  0  0  0  0
 29 18  1  0  0  0  0
 30 24  1  0  0  0  0
 31 26  1  0  0  0  0
 32 25  2  0  0  0  0
 33 32  1  0  0  0  0
  3  4  1  0  0  0  0
 29 33  2  0  0  0  0
  7  8  1  0  0  0  0
 22 17  1  0  0  0  0
M  END
>  <Mol_ID> (4,445)
4445

>  <Formula> (4,445)
C23H24N6O3S

>  <MolWeight> (4,445)
464.54006

>  <COMPOUND_NAME> (4,445)
WAY-339717

>  <BAR_CODE_NO> (4,445)
314718

$$$$
WAY-339718
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
   -2.0125    2.2083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833    2.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2875    3.4708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0208    3.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7458    2.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2458    2.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6250    3.7458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2333    3.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083    1.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9875    2.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0458    3.0833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9708    1.3208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833    3.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1500    4.6542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792    4.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833    1.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3792    4.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167    3.3958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8125    3.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167    4.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458    0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6042    3.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4333    1.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8500    5.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167    5.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458    2.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3500    5.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3667    3.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2458    0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  6  2  0  0  0  0
  5  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7  4  1  0  0  0  0
  8 10  2  0  0  0  0
  9  1  1  0  0  0  0
 10  6  1  0  0  0  0
 11  2  1  0  0  0  0
 12  5  2  0  0  0  0
 13 19  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16  9  2  0  0  0  0
 17 15  2  0  0  0  0
 18 13  2  0  0  0  0
 19 11  1  0  0  0  0
 20 17  1  0  0  0  0
 21  9  1  0  0  0  0
 22 20  1  0  0  0  0
 23 10  1  0  0  0  0
 24 25  2  0  0  0  0
 25 15  1  0  0  0  0
 26 16  1  0  0  0  0
 27 16  1  0  0  0  0
 28 24  1  0  0  0  0
 29 22  1  0  0  0  0
 30 21  2  0  0  0  0
 31 30  1  0  0  0  0
  3  4  1  0  0  0  0
 31 27  2  0  0  0  0
  7  8  1  0  0  0  0
 20 28  2  0  0  0  0
M  END
>  <Mol_ID> (4,446)
4446

>  <Formula> (4,446)
C22H22N6O2S

>  <MolWeight> (4,446)
434.51408

>  <COMPOUND_NAME> (4,446)
WAY-339718

>  <BAR_CODE_NO> (4,446)
314719

$$$$
WAY-339725
csChFnd80/06171916322D

 32 35  0  0  0  0  0  0  0  0999 V2000
   -2.0125    2.2083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833    2.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2875    3.4708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0208    3.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7458    2.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2458    2.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6250    3.7458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2333    3.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083    1.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9875    2.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0458    3.0833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9708    1.3208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833    1.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833    3.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1500    4.6542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792    4.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3792    4.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167    3.3958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8125    3.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2750    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167    4.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7375    0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4625    1.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6042    3.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4333    1.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2333    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8500    5.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167    5.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3500    5.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6917    2.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3667    3.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  6  2  0  0  0  0
  5  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7  4  1  0  0  0  0
  8 10  2  0  0  0  0
  9  1  1  0  0  0  0
 10  6  1  0  0  0  0
 11  2  1  0  0  0  0
 12  5  2  0  0  0  0
 13  9  2  0  0  0  0
 14 19  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 14  2  0  0  0  0
 19 11  1  0  0  0  0
 20 13  1  0  0  0  0
 21 17  1  0  0  0  0
 22  9  1  0  0  0  0
 23 20  1  0  0  0  0
 24 21  1  0  0  0  0
 25 10  1  0  0  0  0
 26 22  2  0  0  0  0
 27 28  2  0  0  0  0
 28 16  1  0  0  0  0
 29 26  1  0  0  0  0
 30 27  1  0  0  0  0
 31 23  1  0  0  0  0
 32 24  1  0  0  0  0
  3  4  1  0  0  0  0
 29 20  2  0  0  0  0
  7  8  1  0  0  0  0
 21 30  2  0  0  0  0
M  END
>  <Mol_ID> (4,447)
4447

>  <Formula> (4,447)
C22H22N6O3S

>  <MolWeight> (4,447)
450.51348

>  <COMPOUND_NAME> (4,447)
WAY-339725

>  <BAR_CODE_NO> (4,447)
314726

$$$$
WAY-339726
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
    6.2375   -6.8042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4917   -6.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9417   -5.4167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1375   -5.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4375   -6.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8792   -6.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4667   -5.1042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7917   -5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7917   -7.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0625   -6.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3125   -5.8625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.1917   -7.7792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5917   -7.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3875   -4.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6542   -4.1417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9292   -5.5417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5792   -5.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4625   -3.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1500   -7.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5375   -8.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0792   -3.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0042   -4.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7292   -3.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8125   -4.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5375   -3.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9667   -7.6917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5750   -7.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0917   -8.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8917   -8.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8917   -3.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2292   -6.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  6  2  0  0  0  0
  5  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7  4  1  0  0  0  0
  8 10  2  0  0  0  0
  9  1  1  0  0  0  0
 10  6  1  0  0  0  0
 11  2  1  0  0  0  0
 12  5  2  0  0  0  0
 13  9  2  0  0  0  0
 14 17  1  0  0  0  0
 15 14  1  0  0  0  0
 16 14  2  0  0  0  0
 17 11  1  0  0  0  0
 18 15  1  0  0  0  0
 19 13  1  0  0  0  0
 20  9  1  0  0  0  0
 21 25  1  0  0  0  0
 22 18  2  0  0  0  0
 23 18  1  0  0  0  0
 24 22  1  0  0  0  0
 25 23  2  0  0  0  0
 26 19  1  0  0  0  0
 27 10  1  0  0  0  0
 28 20  2  0  0  0  0
 29 28  1  0  0  0  0
 30 21  1  0  0  0  0
 31 26  1  0  0  0  0
  3  4  1  0  0  0  0
 29 19  2  0  0  0  0
  7  8  1  0  0  0  0
 24 21  2  0  0  0  0
M  END
>  <Mol_ID> (4,448)
4448

>  <Formula> (4,448)
C22H22N6O2S

>  <MolWeight> (4,448)
434.51408

>  <COMPOUND_NAME> (4,448)
WAY-339726

>  <BAR_CODE_NO> (4,448)
314727

$$$$
WAY-339732
csChFnd80/06171916322D

 33 36  0  0  0  0  0  0  0  0999 V2000
   -2.0125    2.2083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833    2.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2875    3.4708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0208    3.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7458    2.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2458    2.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6250    3.7458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2333    3.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9875    2.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0458    3.0833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083    1.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9708    1.3208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1500    4.6542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792    4.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167    5.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833    3.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8500    5.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167    3.3958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3792    4.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8125    3.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458    0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833    1.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3500    5.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167    4.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6167    6.0792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2458    0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0792    5.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4333    1.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208    5.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000    6.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  6  2  0  0  0  0
  5  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7  4  1  0  0  0  0
  8  9  2  0  0  0  0
  9  6  1  0  0  0  0
 10  2  1  0  0  0  0
 11  1  1  0  0  0  0
 12  5  2  0  0  0  0
 13 16  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 20  1  0  0  0  0
 17 15  2  0  0  0  0
 18 16  2  0  0  0  0
 19 14  2  0  0  0  0
 20 10  1  0  0  0  0
 21 11  2  0  0  0  0
 22 11  1  0  0  0  0
 23 24  2  0  0  0  0
 24 19  1  0  0  0  0
 25 15  1  0  0  0  0
 26 22  2  0  0  0  0
 27 21  1  0  0  0  0
 28 26  1  0  0  0  0
 29 23  1  0  0  0  0
 30  9  1  0  0  0  0
 31 28  1  0  0  0  0
 32 25  1  0  0  0  0
 33 29  1  0  0  0  0
  3  4  1  0  0  0  0
 27 28  2  0  0  0  0
  7  8  1  0  0  0  0
 23 17  1  0  0  0  0
M  END
>  <Mol_ID> (4,449)
4449

>  <Formula> (4,449)
C23H24N6O3S

>  <MolWeight> (4,449)
464.54006

>  <COMPOUND_NAME> (4,449)
WAY-339732

>  <BAR_CODE_NO> (4,449)
314733

$$$$
WAY-339735
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
   -2.0125    2.2083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833    2.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2875    3.4708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0208    3.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7458    2.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2458    2.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6250    3.7458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2333    3.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083    1.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9875    2.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0458    3.0833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9708    1.3208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833    3.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1500    4.6542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833    1.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792    4.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3792    4.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167    3.3958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8125    3.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167    4.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2750    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7375    0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6042    3.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4333    1.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2333    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8500    5.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167    5.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3500    5.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4625    1.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3667    3.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  6  2  0  0  0  0
  5  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7  4  1  0  0  0  0
  8 10  2  0  0  0  0
  9  1  1  0  0  0  0
 10  6  1  0  0  0  0
 11  2  1  0  0  0  0
 12  5  2  0  0  0  0
 13 19  1  0  0  0  0
 14 13  1  0  0  0  0
 15  9  1  0  0  0  0
 16 14  1  0  0  0  0
 17 16  2  0  0  0  0
 18 13  2  0  0  0  0
 19 11  1  0  0  0  0
 20 17  1  0  0  0  0
 21 15  2  0  0  0  0
 22  9  2  0  0  0  0
 23 20  1  0  0  0  0
 24 10  1  0  0  0  0
 25 22  1  0  0  0  0
 26 27  2  0  0  0  0
 27 16  1  0  0  0  0
 28 26  1  0  0  0  0
 29 25  2  0  0  0  0
 30 21  1  0  0  0  0
 31 23  1  0  0  0  0
  3  4  1  0  0  0  0
 21 29  1  0  0  0  0
  7  8  1  0  0  0  0
 20 28  2  0  0  0  0
M  END
>  <Mol_ID> (4,450)
4450

>  <Formula> (4,450)
C22H22N6O2S

>  <MolWeight> (4,450)
434.51408

>  <COMPOUND_NAME> (4,450)
WAY-339735

>  <BAR_CODE_NO> (4,450)
314736

$$$$
WAY-339739
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
   -2.0125    2.2083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833    2.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2875    3.4708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0208    3.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7458    2.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2458    2.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6250    3.7458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2333    3.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083    1.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9875    2.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0458    3.0833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9708    1.3208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1500    4.6542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833    3.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792    4.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833    1.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3792    4.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167    3.3958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8125    3.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2750    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7375    0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542    3.5458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4333    1.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2333    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1125    5.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1125    4.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4625    1.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6625    2.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8417    5.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3417    5.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  6  2  0  0  0  0
  5  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7  4  1  0  0  0  0
  8 10  2  0  0  0  0
  9  1  1  0  0  0  0
 10  6  1  0  0  0  0
 11  2  1  0  0  0  0
 12  5  2  0  0  0  0
 13 14  1  0  0  0  0
 14 19  1  0  0  0  0
 15 13  1  0  0  0  0
 16  9  1  0  0  0  0
 17 15  1  0  0  0  0
 18 14  2  0  0  0  0
 19 11  1  0  0  0  0
 20 16  2  0  0  0  0
 21  9  2  0  0  0  0
 22 17  1  0  0  0  0
 23 10  1  0  0  0  0
 24 21  1  0  0  0  0
 25 15  2  0  0  0  0
 26 17  2  0  0  0  0
 27 24  2  0  0  0  0
 28 20  1  0  0  0  0
 29 22  1  0  0  0  0
 30 25  1  0  0  0  0
 31 30  2  0  0  0  0
  3  4  1  0  0  0  0
 20 27  1  0  0  0  0
  7  8  1  0  0  0  0
 31 26  1  0  0  0  0
M  END
>  <Mol_ID> (4,451)
4451

>  <Formula> (4,451)
C22H22N6O2S

>  <MolWeight> (4,451)
434.51408

>  <COMPOUND_NAME> (4,451)
WAY-339739

>  <BAR_CODE_NO> (4,451)
314740

$$$$
WAY-339746
csChFnd80/06171916322D

 32 35  0  0  0  0  0  0  0  0999 V2000
    6.2417   -6.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5042   -5.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9500   -4.8167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1417   -4.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4417   -6.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8917   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4750   -4.5042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8042   -5.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0667   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3167   -5.2625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.8000   -6.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2000   -7.1792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3917   -4.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6625   -3.5417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9375   -4.9417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5875   -4.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5417   -7.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6042   -6.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4667   -3.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9042   -8.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1000   -8.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1542   -7.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0917   -3.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7375   -2.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0125   -4.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5417   -2.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8167   -3.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4542   -8.6542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5792   -6.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9042   -2.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2042   -9.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1792   -2.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  6  2  0  0  0  0
  5  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7  4  1  0  0  0  0
  8  9  2  0  0  0  0
  9  6  1  0  0  0  0
 10  2  1  0  0  0  0
 11  1  1  0  0  0  0
 12  5  2  0  0  0  0
 13 16  1  0  0  0  0
 14 13  1  0  0  0  0
 15 13  2  0  0  0  0
 16 10  1  0  0  0  0
 17 11  1  0  0  0  0
 18 11  2  0  0  0  0
 19 14  1  0  0  0  0
 20 22  2  0  0  0  0
 21 17  2  0  0  0  0
 22 18  1  0  0  0  0
 23 27  2  0  0  0  0
 24 19  1  0  0  0  0
 25 19  2  0  0  0  0
 26 24  2  0  0  0  0
 27 25  1  0  0  0  0
 28 20  1  0  0  0  0
 29  9  1  0  0  0  0
 30 23  1  0  0  0  0
 31 28  1  0  0  0  0
 32 30  1  0  0  0  0
 20 21  1  0  0  0  0
  3  4  1  0  0  0  0
  7  8  1  0  0  0  0
 26 23  1  0  0  0  0
M  END
>  <Mol_ID> (4,452)
4452

>  <Formula> (4,452)
C23H24N6O2S

>  <MolWeight> (4,452)
448.54066

>  <COMPOUND_NAME> (4,452)
WAY-339746

>  <BAR_CODE_NO> (4,452)
314747

$$$$
WAY-339750
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
   -2.0125    2.2083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833    2.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2875    3.4708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0208    3.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7458    2.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2458    2.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6250    3.7458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2333    3.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9875    2.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0458    3.0833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083    1.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9708    1.3208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833    3.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1500    4.6542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792    4.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167    3.3958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8125    3.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833    1.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458    0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1125    5.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2458    0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8417    5.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    0.0083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4333    1.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1125    4.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3792    4.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3417    5.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0792    6.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083   -0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  6  2  0  0  0  0
  5  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7  4  1  0  0  0  0
  8  9  2  0  0  0  0
  9  6  1  0  0  0  0
 10  2  1  0  0  0  0
 11  1  1  0  0  0  0
 12  5  2  0  0  0  0
 13 17  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 13  2  0  0  0  0
 17 10  1  0  0  0  0
 18 11  2  0  0  0  0
 19 11  1  0  0  0  0
 20 15  2  0  0  0  0
 21 23  1  0  0  0  0
 22 18  1  0  0  0  0
 23 19  2  0  0  0  0
 24 20  1  0  0  0  0
 25 21  1  0  0  0  0
 26  9  1  0  0  0  0
 27 28  2  0  0  0  0
 28 15  1  0  0  0  0
 29 27  1  0  0  0  0
 30 24  1  0  0  0  0
 31 25  1  0  0  0  0
 22 21  2  0  0  0  0
  3  4  1  0  0  0  0
  7  8  1  0  0  0  0
 29 24  2  0  0  0  0
M  END
>  <Mol_ID> (4,453)
4453

>  <Formula> (4,453)
C22H22N6O2S

>  <MolWeight> (4,453)
434.51408

>  <COMPOUND_NAME> (4,453)
WAY-339750

>  <BAR_CODE_NO> (4,453)
314751

$$$$
WAY-339773
csChFnd80/06171916322D

 28 30  0  0  0  0  0  0  0  0999 V2000
   -0.9958    5.4417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208    5.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708    2.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833    5.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1375    2.5708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    4.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4083    6.1667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833    4.7292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4333    5.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208    4.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1250    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708    3.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    2.5583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8375    1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4333    3.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1458    5.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4375    5.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2750    6.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5583    1.7333    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542    6.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542    5.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417    7.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8750    7.0917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4083    1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8375    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5875    6.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4083    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1208    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3 12  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6 15  1  0  0  0  0
  7  1  2  0  0  0  0
  8  1  2  0  0  0  0
  9  2  1  0  0  0  0
 10  2  1  0  0  0  0
 11  5  1  0  0  0  0
 12  6  1  0  0  0  0
 13  3  2  0  0  0  0
 14 11  2  0  0  0  0
 15 10  1  0  0  0  0
 16  9  1  0  0  0  0
 17  4  2  0  0  0  0
 18  4  1  0  0  0  0
 19 14  1  0  0  0  0
 20 22  1  0  0  0  0
 21 17  1  0  0  0  0
 22 18  2  0  0  0  0
 23 20  1  0  0  0  0
 24 11  1  0  0  0  0
 25 14  1  0  0  0  0
 26 23  1  0  0  0  0
 27 24  2  0  0  0  0
 28 27  1  0  0  0  0
 20 21  2  0  0  0  0
  6 16  1  0  0  0  0
 28 25  2  0  0  0  0
M  END
>  <Mol_ID> (4,454)
4454

>  <Formula> (4,454)
C19H22FN3O4S

>  <MolWeight> (4,454)
407.4590832

>  <COMPOUND_NAME> (4,454)
WAY-339773

>  <BAR_CODE_NO> (4,454)
314774

$$$$
WAY-339781
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -1.0000    5.4542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208    5.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708    2.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833    5.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1375    2.5708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    4.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833    4.7292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4208    6.1667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4375    5.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208    4.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1250    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708    3.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    2.5583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8375    1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1500    5.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4333    3.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4375    5.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833    6.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1500    6.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5583    1.7333    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.1500    5.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292    7.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8667    7.1125    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4083    1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8375    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4083    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1208    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3 12  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6 16  1  0  0  0  0
  7  1  2  0  0  0  0
  8  1  2  0  0  0  0
  9  2  1  0  0  0  0
 10  2  1  0  0  0  0
 11  5  1  0  0  0  0
 12  6  1  0  0  0  0
 13  3  2  0  0  0  0
 14 11  2  0  0  0  0
 15  9  1  0  0  0  0
 16 10  1  0  0  0  0
 17  4  2  0  0  0  0
 18  4  1  0  0  0  0
 19 22  1  0  0  0  0
 20 14  1  0  0  0  0
 21 17  1  0  0  0  0
 22 18  2  0  0  0  0
 23 19  1  0  0  0  0
 24 11  1  0  0  0  0
 25 14  1  0  0  0  0
 26 24  2  0  0  0  0
 27 26  1  0  0  0  0
 19 21  2  0  0  0  0
  6 15  1  0  0  0  0
 27 25  2  0  0  0  0
M  END
>  <Mol_ID> (4,455)
4455

>  <Formula> (4,455)
C18H19F2N3O3S

>  <MolWeight> (4,455)
395.4235664

>  <COMPOUND_NAME> (4,455)
WAY-339781

>  <BAR_CODE_NO> (4,455)
314782

$$$$
WAY-339843
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -1.5202    0.6176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7202    0.7073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0030    1.2762    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0030   -0.0376    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2375    0.0521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3685    1.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7685    1.0176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7685    0.2141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5867    0.1210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4384    1.5176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4685    1.4245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4685   -0.2065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0763   -0.5376    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8936    0.8555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1754    1.0176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1754    0.2141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8867   -0.4479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7177    0.9107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9099   -0.1893    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3798   -1.0893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2108    0.3279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1832   -0.9962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694   -1.8376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6763   -1.6548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5177   -0.2445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5625   -2.4962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3522   -2.3859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0349    0.4073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  2  0  0  0  0
 11 15  2  0  0  0  0
 12 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 17 21  2  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 23 26  2  0  0  0  0
 24 27  2  0  0  0  0
 25 28  1  0  0  0  0
  7  8  2  0  0  0  0
 10 14  1  0  0  0  0
 15 16  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (4,456)
4456

>  <Formula> (4,456)
C22H17ClN2O3

>  <MolWeight> (4,456)
392.83498

>  <COMPOUND_NAME> (4,456)
WAY-339843

>  <BAR_CODE_NO> (4,456)
314844

$$$$
WAY-339871
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -2.6500    0.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6208    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9292   -0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000    1.1958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9667   -0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8625    1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167   -1.6167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792   -1.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9708    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1000   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958   -2.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4792   -1.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167    0.1625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7125   -1.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9708    2.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2333   -2.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    2.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9542   -2.5292    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542   -3.4542    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.8625    3.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4792    0.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5167   -1.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6833    3.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5167    0.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0292   -0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  7  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  8  1  0  0  0  0
  8 11  1  0  0  0  0
  9  6  2  0  0  0  0
 10  2  1  0  0  0  0
 11 10  2  0  0  0  0
 12 18  1  0  0  0  0
 13  5  1  0  0  0  0
 14  3  2  0  0  0  0
 15  6  1  0  0  0  0
 16 10  1  0  0  0  0
 17  9  1  0  0  0  0
 18 16  2  0  0  0  0
 19 15  2  0  0  0  0
 20 13  1  0  0  0  0
 21 12  1  0  0  0  0
 22 19  1  0  0  0  0
 23  5  2  0  0  0  0
 24 13  2  0  0  0  0
 25 19  1  0  0  0  0
 26 23  1  0  0  0  0
 27 26  2  0  0  0  0
  4  9  1  0  0  0  0
 17 22  2  0  0  0  0
 12  8  2  0  0  0  0
 24 27  1  0  0  0  0
M  END
>  <Mol_ID> (4,457)
4457

>  <Formula> (4,457)
C21H14ClFN2O2

>  <MolWeight> (4,457)
380.7994632

>  <COMPOUND_NAME> (4,457)
WAY-339871

>  <BAR_CODE_NO> (4,457)
314872

$$$$
WAY-339880
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
    3.6250   -1.8250    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.0750   -2.9042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6542   -4.0292    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.7542   -1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7542   -4.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5625   -4.7417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5292   -1.1542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417   -2.9667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8875   -6.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2750   -7.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9500   -9.4917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3042   -2.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1125   -9.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4292    1.0083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4667   -6.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7708  -12.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7958   -5.7167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9500  -12.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6417   -8.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4167   -4.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3875   -0.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4667  -10.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7667   -2.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7917   -8.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6167   -0.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6500   -4.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -2.8500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.2708  -13.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6292  -11.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  2  0  0  0  0
  9  6  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12  2  1  0  0  0  0
 13 11  1  0  0  0  0
 14  4  2  0  0  0  0
 15  5  2  0  0  0  0
 16 13  1  0  0  0  0
 17 10  2  0  0  0  0
 18 16  2  0  0  0  0
 19 13  2  0  0  0  0
 20 12  2  0  0  0  0
 21 12  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
 24 19  1  0  0  0  0
 25 21  2  0  0  0  0
 26 20  1  0  0  0  0
 27 23  1  0  0  0  0
 28 16  1  0  0  0  0
 29 22  1  0  0  0  0
  6  8  1  0  0  0  0
  2  5  1  0  0  0  0
 23 26  2  0  0  0  0
 22 18  1  0  0  0  0
M  END
>  <Mol_ID> (4,458)
4458

>  <Formula> (4,458)
C20H18ClN5O3

>  <MolWeight> (4,458)
411.84162

>  <COMPOUND_NAME> (4,458)
WAY-339880

>  <BAR_CODE_NO> (4,458)
314881

$$$$
WAY-339896
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -7.2917    8.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5542    9.5083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0667    9.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3417    6.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5875   10.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1042   10.9667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6917    5.6583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6917    4.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3542    3.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7167   12.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0542    3.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000    5.6917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1958   12.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3458   13.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0542    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3292    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9583   14.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6917    0.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3208   13.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4833   14.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9833    0.9708    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.0875   16.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  -11.4167    4.0667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  2  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  5  1  0  0  0  0
 11  8  2  0  0  0  0
 12  4  2  0  0  0  0
 13 10  2  0  0  0  0
 14 10  1  0  0  0  0
 15 11  1  0  0  0  0
 16  9  2  0  0  0  0
 17 20  1  0  0  0  0
 18 15  2  0  0  0  0
 19 13  1  0  0  0  0
 20 14  2  0  0  0  0
 21 16  1  0  0  0  0
 22 17  1  0  0  0  0
 23 11  1  0  0  0  0
  6  5  1  0  0  0  0
 17 19  2  0  0  0  0
 18 16  1  0  0  0  0
M  END
>  <Mol_ID> (4,459)
4459

>  <Formula> (4,459)
C16H10Cl2N2O3

>  <MolWeight> (4,459)
349.1682

>  <COMPOUND_NAME> (4,459)
WAY-339896

>  <BAR_CODE_NO> (4,459)
314897

$$$$
WAY-339959
csChFnd80/06171916322D

 30 32  0  0  0  0  0  0  0  0999 V2000
    9.8042   -4.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1000   -3.1667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4917   -4.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1500   -2.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2083   -3.1667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5750   -5.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8542   -2.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5750   -1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8750   -5.3292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3417   -1.0750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.6917   -7.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6292   -6.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0417   -6.6542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7250   -5.4667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.9167   -6.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1542   -8.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5417   -0.6125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8625   -8.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3667   -1.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1000   -7.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4292   -3.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1292   -1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6500   -3.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6875   -4.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1625   -2.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4625   -4.5667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9292   -9.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7417   -5.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667   -6.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  2  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  6  1  0  0  0  0
 10  8  1  0  0  0  0
 11 15  2  0  0  0  0
 12  9  1  0  0  0  0
 13  6  2  0  0  0  0
 14  3  1  0  0  0  0
 15 12  1  0  0  0  0
 16 18  2  0  0  0  0
 17  8  2  0  0  0  0
 18 20  1  0  0  0  0
 19 10  1  0  0  0  0
 20 12  2  0  0  0  0
 21 24  1  0  0  0  0
 22 19  2  0  0  0  0
 23 19  1  0  0  0  0
 24 23  2  0  0  0  0
 25 22  1  0  0  0  0
 26 21  1  0  0  0  0
 27 11  1  0  0  0  0
 28 16  1  0  0  0  0
 29 26  1  0  0  0  0
 30 29  1  0  0  0  0
  4  2  1  0  0  0  0
 11 16  1  0  0  0  0
 21 25  2  0  0  0  0
M  END
>  <Mol_ID> (4,460)
4460

>  <Formula> (4,460)
C21H24N6O3

>  <MolWeight> (4,460)
408.45366

>  <COMPOUND_NAME> (4,460)
WAY-339959

>  <BAR_CODE_NO> (4,460)
314960

$$$$
WAY-346103
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    2.7250   -3.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9875   -4.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9125   -3.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2750   -3.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -4.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3125   -5.1875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -4.8667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0917   -3.4625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3542   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542   -4.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1625   -4.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0125   -2.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4167   -5.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2500   -4.3792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2250   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4292   -3.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792   -5.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7750   -4.7417    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8667   -5.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4875   -6.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917   -6.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1125   -7.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1292   -6.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9375   -6.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  2  0  0  0  0
  6  2  1  0  0  0  0
  7  2  1  0  0  0  0
  8  4  1  0  0  0  0
  9  8  1  0  0  0  0
 10  5  1  0  0  0  0
 11  9  1  0  0  0  0
 12  4  2  0  0  0  0
 13 11  1  0  0  0  0
 14 10  2  0  0  0  0
 15 13  1  0  0  0  0
 16  3  1  0  0  0  0
 17 10  1  0  0  0  0
 18 15  1  0  0  0  0
 19 13  2  0  0  0  0
 20 15  2  0  0  0  0
 21 17  1  0  0  0  0
 22 21  1  0  0  0  0
 23 19  1  0  0  0  0
 24 23  2  0  0  0  0
  6  5  1  0  0  0  0
  9  7  2  0  0  0  0
 24 20  1  0  0  0  0
M  END
>  <Mol_ID> (4,461)
4461

>  <Formula> (4,461)
C17H15ClN2O3S

>  <MolWeight> (4,461)
362.8306

>  <COMPOUND_NAME> (4,461)
WAY-346103

>  <BAR_CODE_NO> (4,461)
90465842

$$$$
WAY-347310
csChFnd80/06171916322D

 21 24  0  0  0  0  0  0  0  0999 V2000
   12.0750   -5.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6042   -3.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0750   -7.2750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.7667   -4.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4250   -2.1750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3667   -2.3750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.7667   -8.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4417   -5.3000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.6542   -4.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4667   -7.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7542  -10.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5667   -6.0667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3792   -2.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6375   -5.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5167   -3.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4250  -11.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0750  -11.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7000  -14.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0292  -13.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3875  -13.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6667  -16.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  2  0  0  0  0
  6  4  2  0  0  0  0
  7  3  2  0  0  0  0
  8  4  1  0  0  0  0
  9  2  1  0  0  0  0
 10  8  1  0  0  0  0
 11  7  1  0  0  0  0
 12  9  1  0  0  0  0
 13  9  2  0  0  0  0
 14 12  1  0  0  0  0
 15 13  1  0  0  0  0
 16 11  1  0  0  0  0
 17 11  2  0  0  0  0
 18 19  2  0  0  0  0
 19 17  1  0  0  0  0
 20 16  2  0  0  0  0
 21 18  1  0  0  0  0
  6  5  1  0  0  0  0
  7 10  1  0  0  0  0
 15 14  2  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (4,462)
4462

>  <Formula> (4,462)
C14H9FN4OS

>  <MolWeight> (4,462)
300.3108632

>  <COMPOUND_NAME> (4,462)
WAY-347310

>  <BAR_CODE_NO> (4,462)
90466300

$$$$
WAY-349267
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
    1.6182    0.7565    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9182   -0.1538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6079    0.7565    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2665    1.5048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1079   -0.7538    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8906   -0.3676    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3113   -0.1780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2389    1.2910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9562    2.4255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5527    0.3703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6128   -0.4780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5113    0.1944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8128   -1.4401    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3232    0.1703    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7956   -1.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5197   -1.0642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3094   -0.1159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4680   -1.3504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0059    0.5565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1783   -0.6918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9542    0.2806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
  5  7  1  0  0  0  0
  8 10  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (4,463)
4463

>  <Formula> (4,463)
C15H15N5O

>  <MolWeight> (4,463)
281.3125

>  <COMPOUND_NAME> (4,463)
WAY-349267

>  <BAR_CODE_NO> (4,463)
90466182

$$$$
WAY-349290
csChFnd80/06171916322D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -0.3726    0.4286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4278   -0.1783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6860   -0.1783    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3726    1.6493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4278   -1.3990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4830    0.4286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7412    0.4286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7412    1.6493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4830   -2.0059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5381   -0.1783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7895   -0.1783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7895    2.2597    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5381   -1.3990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8481    0.4286    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7895   -1.3990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8481    1.6493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5899   -2.0059    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12 16  2  0  0  0  0
 13 17  1  0  0  0  0
  7  8  2  0  0  0  0
 10 13  2  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <Mol_ID> (4,464)
4464

>  <Formula> (4,464)
C12H7ClN2OS

>  <MolWeight> (4,464)
262.71478

>  <COMPOUND_NAME> (4,464)
WAY-349290

>  <BAR_CODE_NO> (4,464)
90466218

$$$$
WAY-382576
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    4.6500   -6.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8500   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000   -5.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500   -2.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5667   -5.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6500   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2167   -4.7167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.9500   -3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2042   -2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3500   -6.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3542   -2.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6500   -1.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2167   -3.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0667   -1.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0667   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3500   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8000   -1.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.5500   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7000   -7.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2167   -8.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0500   -7.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -8.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  8  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  3  1  0  0  0  0
  8 13  1  0  0  0  0
  9  4  2  0  0  0  0
 10  2  1  0  0  0  0
 11  6  2  0  0  0  0
 12  6  1  0  0  0  0
 13  7  1  0  0  0  0
 14 16  1  0  0  0  0
 15 11  1  0  0  0  0
 16 12  2  0  0  0  0
 17 14  1  0  0  0  0
 18 10  2  0  0  0  0
 19 10  1  0  0  0  0
 20 19  2  0  0  0  0
 21 18  1  0  0  0  0
 22 20  1  0  0  0  0
  5  7  1  0  0  0  0
 22 21  2  0  0  0  0
 14 15  2  0  0  0  0
M  END
>  <Mol_ID> (4,465)
4465

>  <Formula> (4,465)
C17H14BrNO3

>  <MolWeight> (4,465)
360.20196

>  <COMPOUND_NAME> (4,465)
WAY-382576

>  <BAR_CODE_NO> (4,465)
90611077

$$$$
WAY-382711
csChFnd80/06171916322D

 23 26  0  0  0  0  0  0  0  0999 V2000
    0.9875   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5667    0.8958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667    1.0333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7292   -0.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4875    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667   -2.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667   -3.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3875   -2.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667   -2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667   -3.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1875    1.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2875   -0.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500    0.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708   -1.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708   -3.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042    2.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875    1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0125   -2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0125   -3.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5500    2.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4292    1.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2500    2.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  6  2  0  0  0  0
  5  1  2  0  0  0  0
  6  1  1  0  0  0  0
  7  5  1  0  0  0  0
  8  9  1  0  0  0  0
  9  7  2  0  0  0  0
 10  7  1  0  0  0  0
 11 10  2  0  0  0  0
 12  2  1  0  0  0  0
 13  3  2  0  0  0  0
 14  6  1  0  0  0  0
 15 10  1  0  0  0  0
 16 11  1  0  0  0  0
 17 12  1  0  0  0  0
 18 12  2  0  0  0  0
 19 15  2  0  0  0  0
 20 19  1  0  0  0  0
 21 17  2  0  0  0  0
 22 18  1  0  0  0  0
 23 22  2  0  0  0  0
  4  2  1  0  0  0  0
 11  8  1  0  0  0  0
 16 20  2  0  0  0  0
 23 21  1  0  0  0  0
M  END
>  <Mol_ID> (4,466)
4466

>  <Formula> (4,466)
C19H15N3O

>  <MolWeight> (4,466)
301.3419

>  <COMPOUND_NAME> (4,466)
WAY-382711

>  <BAR_CODE_NO> (4,466)
90440809

$$$$
WAY-382730
csChFnd80/06171916322D

 18 19  0  0  0  0  0  0  0  0999 V2000
    5.3792   -3.0167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6917   -2.5667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4167   -3.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8917   -2.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0250   -2.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9042   -1.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7292   -1.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7292   -4.2875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1542   -4.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2750   -1.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6167   -4.9667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1917   -2.2625    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.5292   -3.5625    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.1542   -2.9667    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.9250   -5.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5792   -4.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1917   -5.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8417   -3.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  5  2  0  0  0  0
  8  3  2  0  0  0  0
  9  3  1  0  0  0  0
 10  2  1  0  0  0  0
 11 16  1  0  0  0  0
 12  4  1  0  0  0  0
 13  4  1  0  0  0  0
 14  4  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17  9  2  0  0  0  0
 18  9  1  0  0  0  0
  7  6  1  0  0  0  0
 15 11  2  0  0  0  0
M  END
>  <Mol_ID> (4,467)
4467

>  <Formula> (4,467)
C10H8F3N3O2

>  <MolWeight> (4,467)
259.1846296

>  <COMPOUND_NAME> (4,467)
WAY-382730

>  <BAR_CODE_NO> (4,467)
90434476

$$$$
WAY-386551
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.5833    0.7458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8250    1.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3417    0.9083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3417    2.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5542    1.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292    1.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2958    0.3375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5542    1.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1583    1.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958    1.4708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1625    0.0250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4333    1.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6542    1.5625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1583    2.8083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292    1.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417    2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0083    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7250    1.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4333    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8625    1.5708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0083    1.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7208    0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  5  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6  1  1  0  0  0  0
  7  1  1  0  0  0  0
  8 17  2  0  0  0  0
  9  6  1  0  0  0  0
 10 13  1  0  0  0  0
 11  1  2  0  0  0  0
 12  1  2  0  0  0  0
 13 20  1  0  0  0  0
 14  2  2  0  0  0  0
 15 10  2  0  0  0  0
 16  6  2  0  0  0  0
 17 16  1  0  0  0  0
 18  7  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  2  0  0  0  0
 21 10  1  0  0  0  0
 22 18  2  0  0  0  0
 23 18  1  0  0  0  0
 19 13  2  0  0  0  0
  8  5  1  0  0  0  0
  2  4  1  0  0  0  0
M  END
>  <Mol_ID> (4,468)
4468

>  <Formula> (4,468)
C14H11N3O5S

>  <MolWeight> (4,468)
333.31924

>  <COMPOUND_NAME> (4,468)
WAY-386551

>  <BAR_CODE_NO> (4,468)
90448405

$$$$
WAY-389851
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
    5.9167   -5.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8667   -7.3042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3792   -6.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4292   -6.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3875   -8.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4125   -8.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8625   -5.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4000   -6.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9167   -7.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8500   -5.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4292   -4.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8792   -5.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3292   -4.6542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3625   -4.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9292   -9.0667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3375   -6.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792   -5.8667    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500   -7.2042    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.2792   -6.8417    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.9042   -3.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8750   -3.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4542   -4.6667    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.9042   -5.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9375   -7.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4417   -6.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292   -5.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  7  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8  3  1  0  0  0  0
  9  8  1  0  0  0  0
 10 13  1  0  0  0  0
 11  1  2  0  0  0  0
 12  1  1  0  0  0  0
 13 14  1  0  0  0  0
 14 12  2  0  0  0  0
 15  6  2  0  0  0  0
 16 10  2  0  0  0  0
 17  4  1  0  0  0  0
 18  4  1  0  0  0  0
 19  4  1  0  0  0  0
 20 11  1  0  0  0  0
 21 14  1  0  0  0  0
 22 11  1  0  0  0  0
 23  8  2  0  0  0  0
 24  9  2  0  0  0  0
 25 26  2  0  0  0  0
 26 23  1  0  0  0  0
 20 21  2  0  0  0  0
  6  5  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (4,469)
4469

>  <Formula> (4,469)
C17H11ClF3N3O2

>  <MolWeight> (4,469)
381.7363496

>  <COMPOUND_NAME> (4,469)
WAY-389851

>  <BAR_CODE_NO> (4,469)
90485280

$$$$
WAY-613251
csChFnd80/06171916322D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -1.2625    0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0458    0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5333   -0.3792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2625   -0.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5958    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0458   -1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542    0.1833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6833    1.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3000    1.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5792    0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3000   -1.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2417    0.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6667   -0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4167   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0875   -0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  2  0  0  0  0
  7  5  1  0  0  0  0
  8  5  2  0  0  0  0
  9  7  1  0  0  0  0
 10  2  1  0  0  0  0
 11  9  1  0  0  0  0
 12  6  1  0  0  0  0
 13 11  2  0  0  0  0
 14 11  1  0  0  0  0
 15 14  2  0  0  0  0
 16 13  1  0  0  0  0
 17 15  1  0  0  0  0
  3  6  1  0  0  0  0
 17 16  2  0  0  0  0
M  END
>  <Mol_ID> (4,470)
4470

>  <Formula> (4,470)
C14H14O3

>  <MolWeight> (4,470)
230.25916

>  <COMPOUND_NAME> (4,470)
WAY-613251

>  <BAR_CODE_NO> (4,470)
90447152

$$$$
WAY-613252
csChFnd80/06171916322D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -0.3458    2.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7375   -0.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417    0.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1417    2.2083    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.1792    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3250   -1.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1125    1.4208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1417    3.5458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792   -1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708    2.8708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833   -2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2417    0.9833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292    3.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833   -0.9292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3875   -2.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7792   -2.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292   -1.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333   -2.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6208   -0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6458   -3.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  2  0  0  0  0
  3  7  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  9  1  0  0  0  0
  7  4  1  0  0  0  0
  8  1  1  0  0  0  0
  9  2  1  0  0  0  0
 10  1  2  0  0  0  0
 11  6  2  0  0  0  0
 12  3  2  0  0  0  0
 13  4  1  0  0  0  0
 14  8  1  0  0  0  0
 15  6  1  0  0  0  0
 16 11  1  0  0  0  0
 17 18  1  0  0  0  0
 18  9  2  0  0  0  0
 19 17  2  0  0  0  0
 20 15  1  0  0  0  0
 21 16  1  0  0  0  0
 14 13  1  0  0  0  0
 19 11  1  0  0  0  0
M  END
>  <Mol_ID> (4,471)
4471

>  <Formula> (4,471)
C15H16O6

>  <MolWeight> (4,471)
292.28394

>  <COMPOUND_NAME> (4,471)
WAY-613252

>  <BAR_CODE_NO> (4,471)
90447153

$$$$
WAY-613308
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.6500   -0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708   -0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0833   -0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0625   -0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708    0.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9167    0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0833    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6500    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708   -1.7625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6292    0.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7792   -0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4917    0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042   -0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9167    1.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4917   -0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7792    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7958   -0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7958    0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6292    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5083   -0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5083    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  2  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7  5  1  0  0  0  0
  8  1  1  0  0  0  0
  9 13  1  0  0  0  0
 10  2  2  0  0  0  0
 11  6  2  0  0  0  0
 12  4  1  0  0  0  0
 13 17  2  0  0  0  0
 14 16  1  0  0  0  0
 15  6  1  0  0  0  0
 16 12  2  0  0  0  0
 17 12  1  0  0  0  0
 18  3  1  0  0  0  0
 19  7  1  0  0  0  0
 20 15  1  0  0  0  0
 21 18  2  0  0  0  0
 22 19  2  0  0  0  0
  7  3  2  0  0  0  0
  9 14  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (4,472)
4472

>  <Formula> (4,472)
C18H14O4

>  <MolWeight> (4,472)
294.30136

>  <COMPOUND_NAME> (4,472)
WAY-613308

>  <BAR_CODE_NO> (4,472)
90447212

$$$$
WAY-613311
csChFnd80/06171916322D

 15 17  0  0  0  0  0  0  0  0999 V2000
   -0.8125    0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1000   -0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1000   -0.9042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8125    1.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292   -0.0792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6167    0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958    0.0833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0833    0.7458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6167   -1.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292   -0.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958    1.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1000    1.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6167    1.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6167   -2.1417    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0417   -1.3167    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  6  2  0  0  0  0
  6  2  1  0  0  0  0
  7  1  2  0  0  0  0
  8  7  1  0  0  0  0
  9  3  1  0  0  0  0
 10  5  1  0  0  0  0
 11  4  2  0  0  0  0
 12  4  1  0  0  0  0
 13 12  2  0  0  0  0
 14  9  1  0  0  0  0
 15 10  1  0  0  0  0
  8 11  1  0  0  0  0
 13  6  1  0  0  0  0
 10  9  2  0  0  0  0
M  END
>  <Mol_ID> (4,473)
4473

>  <Formula> (4,473)
C8H2Cl2N4S

>  <MolWeight> (4,473)
257.09928

>  <COMPOUND_NAME> (4,473)
WAY-613311

>  <BAR_CODE_NO> (4,473)
90447216

$$$$
WAY-613347
csChFnd80/06171916322D

 21 24  0  0  0  0  0  0  0  0999 V2000
   -2.2500   -0.3667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5333   -0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5333    0.8708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8208   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8208    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042    0.4583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0333    0.7083    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0333   -0.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5208    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0375    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3250    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1083    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5333   -1.6042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0375   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3250   -0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7542    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7542   -0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4667    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4667   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  2  0  0  0  0
  7 13  1  0  0  0  0
  8  2  1  0  0  0  0
  9  1  1  0  0  0  0
 10  9  2  0  0  0  0
 11 12  1  0  0  0  0
 12  7  1  0  0  0  0
 13  6  1  0  0  0  0
 14  3  2  0  0  0  0
 15 17  1  0  0  0  0
 16  7  1  0  0  0  0
 17 16  1  0  0  0  0
 18 11  1  0  0  0  0
 19 15  1  0  0  0  0
 20 18  2  0  0  0  0
 21 19  2  0  0  0  0
 10  8  1  0  0  0  0
  6  4  1  0  0  0  0
 15 11  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (4,474)
4474

>  <Formula> (4,474)
C16H15N3OS

>  <MolWeight> (4,474)
297.3748

>  <COMPOUND_NAME> (4,474)
WAY-613347

>  <BAR_CODE_NO> (4,474)
90447252

$$$$
WAY-613367
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -0.8083    1.2208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2875    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2875    0.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4917   -0.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0750    0.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0750    1.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6667   -0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9042   -0.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542   -0.9167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4917   -1.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333   -0.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333    2.6750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6667   -1.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542    0.5083    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7292   -0.9167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7875    2.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7875    0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542   -2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6667   -3.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5083    0.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5083    1.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542   -3.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  7  2  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7 14  1  0  0  0  0
  8  4  1  0  0  0  0
  9  7  1  0  0  0  0
 10 13  1  0  0  0  0
 11  3  2  0  0  0  0
 12  2  2  0  0  0  0
 13  9  2  0  0  0  0
 14 17  1  0  0  0  0
 15  1  1  0  0  0  0
 16  8  1  0  0  0  0
 17 15  1  0  0  0  0
 18  6  1  0  0  0  0
 19  5  1  0  0  0  0
 20 13  1  0  0  0  0
 21 20  1  0  0  0  0
 22 19  2  0  0  0  0
 23 18  2  0  0  0  0
 24 21  1  0  0  0  0
  5  6  2  0  0  0  0
 22 23  1  0  0  0  0
  8 10  2  0  0  0  0
M  END
>  <Mol_ID> (4,475)
4475

>  <Formula> (4,475)
C17H17N3O3S

>  <MolWeight> (4,475)
343.40018

>  <COMPOUND_NAME> (4,475)
WAY-613367

>  <BAR_CODE_NO> (4,475)
90447272

$$$$
WAY-613419
csChFnd80/06171916322D

 13 15  0  0  0  0  0  0  0  0999 V2000
   -1.1048   -0.1347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2262    0.3756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0290   -1.5761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4703    0.2342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1228   -0.7175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7710    1.7032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3297   -1.9520    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3703   -2.0554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2290   -0.9933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5641   -0.5140    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1848    1.9446    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1048    2.8687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1090    0.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
 10 13  2  0  0  0  0
  5  7  1  0  0  0  0
  8  9  1  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <Mol_ID> (4,476)
4476

>  <Formula> (4,476)
C9H8N2OS

>  <MolWeight> (4,476)
192.23762

>  <COMPOUND_NAME> (4,476)
WAY-613419

>  <BAR_CODE_NO> (4,476)
90447324

$$$$
WAY-613420
csChFnd80/06171916322D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -0.1333    0.8333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1250    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3625   -0.6167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3875    1.6125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1250   -1.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042   -0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333   -2.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542    1.0833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208    0.5750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042   -1.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167   -2.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667   -3.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2250   -2.5167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000    2.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708    1.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708    2.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3875    2.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  2  0  0  0  0
  7  5  1  0  0  0  0
  8  1  2  0  0  0  0
  9  1  2  0  0  0  0
 10  6  1  0  0  0  0
 11  7  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  1  0  0  0  0
 14  4  1  0  0  0  0
 15  4  1  0  0  0  0
 16 15  1  0  0  0  0
 17 14  1  0  0  0  0
 16 17  1  0  0  0  0
 10  5  2  0  0  0  0
M  END
>  <Mol_ID> (4,477)
4477

>  <Formula> (4,477)
C10H13NO4S2

>  <MolWeight> (4,477)
275.34452

>  <COMPOUND_NAME> (4,477)
WAY-613420

>  <BAR_CODE_NO> (4,477)
90447325

$$$$
WAY-613462
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -1.1708   -0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708   -0.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3833    0.1125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8833    0.2708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5958   -0.9667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5958   -0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8833   -1.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042   -0.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3833   -1.2250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3083    0.2708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8833   -2.2042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5792    0.8708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292   -0.5542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8833    1.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3083   -1.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4042    2.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1250   -2.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3417    0.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1667    0.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1667    1.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4042    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8167    1.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5792    2.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  6  1  0  0  0  0
  6  4  1  0  0  0  0
  7  2  1  0  0  0  0
  8  3  2  0  0  0  0
  9  2  1  0  0  0  0
 10  6  2  0  0  0  0
 11  7  2  0  0  0  0
 12 19  1  0  0  0  0
 13  8  1  0  0  0  0
 14  4  1  0  0  0  0
 15  5  1  0  0  0  0
 16 22  1  0  0  0  0
 17  9  1  0  0  0  0
 18 13  1  0  0  0  0
 19 18  1  0  0  0  0
 20 12  1  0  0  0  0
 21 12  1  0  0  0  0
 22 21  1  0  0  0  0
 23 20  1  0  0  0  0
  8  9  1  0  0  0  0
  5  7  1  0  0  0  0
 16 23  1  0  0  0  0
M  END
>  <Mol_ID> (4,478)
4478

>  <Formula> (4,478)
C14H22N6O3

>  <MolWeight> (4,478)
322.36288

>  <COMPOUND_NAME> (4,478)
WAY-613462

>  <BAR_CODE_NO> (4,478)
90447368

$$$$
WAY-613473
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -0.4520    0.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1687    0.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8106   -0.4930    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7313    0.5967    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4894   -0.5033    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4687    0.6242    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4624   -1.0827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3624    0.6242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1790   -1.0758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9963    0.6242    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7727   -1.6447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6934    0.1242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6313    1.1967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4963   -1.6344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5583    0.6346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9894    1.2449    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9963    0.0656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4417   -2.1930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3210    0.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2624    1.2242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1790   -2.1827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8687    1.1967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8894    0.0863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6106    0.7070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6210   -0.3551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5273    1.1863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5273    0.1070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8376    0.6553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  2  0  0  0  0
 10 17  2  0  0  0  0
 11 18  2  0  0  0  0
 12 19  1  0  0  0  0
 13 20  2  0  0  0  0
 14 21  2  0  0  0  0
 15 22  1  0  0  0  0
 15 23  2  0  0  0  0
 19 24  2  0  0  0  0
 19 25  1  0  0  0  0
 22 26  2  0  0  0  0
 23 27  1  0  0  0  0
 26 28  1  0  0  0  0
  7  9  1  0  0  0  0
 18 21  1  0  0  0  0
 20 24  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <Mol_ID> (4,479)
4479

>  <Formula> (4,479)
C20H16N4O3S

>  <MolWeight> (4,479)
392.43104

>  <COMPOUND_NAME> (4,479)
WAY-613473

>  <BAR_CODE_NO> (4,479)
90447380

$$$$
WAY-613475
csChFnd80/06171916322D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.7540   -0.4368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2727   -0.7369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7873   -0.4406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7885    0.1557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2692    0.4539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7535    0.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7972   -0.7371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2810   -0.4413    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2810    0.1587    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7972    0.4629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3176   -0.4413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3218    0.1587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8051   -1.3371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2366   -0.7413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2260    1.2171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2301    1.4879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8051    1.0630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 12 10  1  0  0  0  0
 11  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  2  3  1  0  0  0  0
  5  6  2  0  0  0  0
 11 12  2  0  0  0  0
  6  1  1  0  0  0  0
  7 13  2  0  0  0  0
  1  2  2  0  0  0  0
  8 14  1  0  0  0  0
 14  1  1  0  0  0  0
 10 17  1  0  0  0  0
  3  4  2  0  0  0  0
 17 15  1  0  0  0  0
  4  5  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (4,480)
4480

>  <Formula> (4,480)
C12H10N2O3

>  <MolWeight> (4,480)
230.2194

>  <COMPOUND_NAME> (4,480)
WAY-613475

>  <BAR_CODE_NO> (4,480)
90447382

$$$$
WAY-613520
csChFnd80/06171916322D

 32 36  0  0  0  0  0  0  0  0999 V2000
    1.1667    2.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667    1.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8792    2.9625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5917    1.7250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5917    2.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8792    1.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792    2.8083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792    1.4708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4458   -1.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6208   -2.6417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6250   -1.7542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1083    2.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9958   -1.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458   -0.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9000   -3.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6833    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9333   -0.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2875   -2.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292    0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3042    2.9625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8792    0.4875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2333    1.1333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8792    3.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3042    1.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8083   -1.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2958    0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7333   -3.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917   -2.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3583   -0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542   -4.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6667   -3.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9 13  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
 12  7  2  0  0  0  0
 13 14  2  0  0  0  0
 14 17  1  0  0  0  0
 15 10  1  0  0  0  0
 16 19  1  0  0  0  0
 17 16  1  0  0  0  0
 18 11  1  0  0  0  0
 19  8  1  0  0  0  0
 20  5  2  0  0  0  0
 21  6  2  0  0  0  0
 22 16  2  0  0  0  0
 23  3  1  0  0  0  0
 24  4  1  0  0  0  0
 25 13  1  0  0  0  0
 26 14  1  0  0  0  0
 27 15  1  0  0  0  0
 28 18  1  0  0  0  0
 29 30  1  0  0  0  0
 30 26  2  0  0  0  0
 31 27  2  0  0  0  0
 32 28  2  0  0  0  0
  8 12  1  0  0  0  0
  4  6  1  0  0  0  0
 29 25  2  0  0  0  0
 18 15  2  0  0  0  0
 32 31  1  0  0  0  0
M  END
>  <Mol_ID> (4,481)
4481

>  <Formula> (4,481)
C22H19N7O3

>  <MolWeight> (4,481)
429.43136

>  <COMPOUND_NAME> (4,481)
WAY-613520

>  <BAR_CODE_NO> (4,481)
90447428

$$$$
WAY-613521
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -0.0458    0.6125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5250   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7417    0.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7417   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958    1.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708   -2.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3583   -2.4625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7833   -2.0792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083   -1.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958   -1.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5000   -3.3875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083    1.5708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4958   -2.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3208   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6583   -1.0667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0625    1.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3500   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1667   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1667    0.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3542    3.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5500    3.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6125    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9125    3.8583    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8875   -0.8792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6000   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  1  1  0  0  0  0
  7  8  1  0  0  0  0
  8 10  1  0  0  0  0
  9  7  2  0  0  0  0
 10 11  1  0  0  0  0
 11  3  1  0  0  0  0
 12  7  1  0  0  0  0
 13  4  1  0  0  0  0
 14  6  1  0  0  0  0
 15  5  1  0  0  0  0
 16  6  2  0  0  0  0
 17  9  1  0  0  0  0
 18 12  1  0  0  0  0
 19 10  2  0  0  0  0
 20 14  2  0  0  0  0
 21 14  1  0  0  0  0
 22  2  1  0  0  0  0
 23 24  1  0  0  0  0
 24 13  2  0  0  0  0
 25 27  1  0  0  0  0
 26 20  1  0  0  0  0
 27 21  2  0  0  0  0
 28 25  1  0  0  0  0
 29 23  1  0  0  0  0
 30 29  1  0  0  0  0
  5  3  1  0  0  0  0
 25 26  2  0  0  0  0
 23 15  2  0  0  0  0
 18 17  2  0  0  0  0
M  END
>  <Mol_ID> (4,482)
4482

>  <Formula> (4,482)
C22H18ClN3O3S

>  <MolWeight> (4,482)
439.91462

>  <COMPOUND_NAME> (4,482)
WAY-613521

>  <BAR_CODE_NO> (4,482)
90447429

$$$$
WAY-613714
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.6500    0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6500    1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708   -0.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708    1.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0625   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0833    1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0833    0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7792    0.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3500   -1.8750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6292   -1.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0625   -1.0500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4917   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9167   -1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042    0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4917   -1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042   -1.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9167   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7958    1.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7958   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5083    1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5083    0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  7  2  0  0  0  0
  7  3  1  0  0  0  0
  8  5  1  0  0  0  0
  9 10  3  0  0  0  0
 10 14  1  0  0  0  0
 11  4  2  0  0  0  0
 12  5  2  0  0  0  0
 13  8  1  0  0  0  0
 14 17  1  0  0  0  0
 15 13  2  0  0  0  0
 16 13  1  0  0  0  0
 17 16  2  0  0  0  0
 18 15  1  0  0  0  0
 19  6  1  0  0  0  0
 20  7  1  0  0  0  0
 21 22  1  0  0  0  0
 22 20  2  0  0  0  0
  6  4  1  0  0  0  0
 14 18  2  0  0  0  0
 21 19  2  0  0  0  0
M  END
>  <Mol_ID> (4,483)
4483

>  <Formula> (4,483)
C17H10N2O3

>  <MolWeight> (4,483)
290.2729

>  <COMPOUND_NAME> (4,483)
WAY-613714

>  <BAR_CODE_NO> (4,483)
90447632

$$$$
WAY-613743
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -3.0694   -0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0694    0.4018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3866   -0.8085    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7521   -0.8085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7038    0.4018    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7521    0.8053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7038   -0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4349   -0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4349    0.4018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7728   -0.4050    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1582    0.0294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9582   -0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8893   -0.4050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9582    0.4950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8893    0.4018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5720   -0.8085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1686    0.9605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2548   -0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9755    0.9605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2548    0.4018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  6  9  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
  5  7  1  0  0  0  0
  8  9  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (4,484)
4484

>  <Formula> (4,484)
C15H18N2OS2

>  <MolWeight> (4,484)
306.44622

>  <COMPOUND_NAME> (4,484)
WAY-613743

>  <BAR_CODE_NO> (4,484)
90447661

$$$$
WAY-613795
csChFnd80/06171916322D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -0.3250    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8083    0.1333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8083    1.4708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7375    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0042   -0.3292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958    0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0042    0.4958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2167    0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2167   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000    0.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9125    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5583   -0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3083   -0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3083    1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9667    1.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9667   -1.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0250    0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0250    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042   -1.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8500   -2.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458   -2.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4 12  1  0  0  0  0
  5 10  2  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  9  1  0  0  0  0
  9  4  2  0  0  0  0
 10  4  1  0  0  0  0
 11  1  1  0  0  0  0
 12 11  1  0  0  0  0
 13  2  1  0  0  0  0
 14  6  1  0  0  0  0
 15  7  1  0  0  0  0
 16  9  1  0  0  0  0
 17 10  1  0  0  0  0
 18 13  1  0  0  0  0
 19 13  2  0  0  0  0
 20 14  2  0  0  0  0
 21 15  2  0  0  0  0
 22 19  1  0  0  0  0
 23 18  2  0  0  0  0
 24 22  2  0  0  0  0
  6  7  2  0  0  0  0
 20 21  1  0  0  0  0
  8  5  1  0  0  0  0
 24 23  1  0  0  0  0
M  END
>  <Mol_ID> (4,485)
4485

>  <Formula> (4,485)
C19H17N3OS

>  <MolWeight> (4,485)
335.42278

>  <COMPOUND_NAME> (4,485)
WAY-613795

>  <BAR_CODE_NO> (4,485)
90447715

$$$$
WAY-613819
csChFnd80/06171916322D

 18 21  0  0  0  0  0  0  0  0999 V2000
    0.0797    0.0560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0797   -1.4613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3858    0.5387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4004    0.8180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3858   -1.9440    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4004   -2.2440    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2617   -0.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7858    2.0180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7142    0.0560    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4004    2.3560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7142   -1.4440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8099   -0.7923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1858    2.6284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1521    0.5180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1521   -1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8099    0.3560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5203    1.8767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0521   -0.7440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
  5  7  1  0  0  0  0
  9 11  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (4,486)
4486

>  <Formula> (4,486)
C14H16N2OS

>  <MolWeight> (4,486)
260.35464

>  <COMPOUND_NAME> (4,486)
WAY-613819

>  <BAR_CODE_NO> (4,486)
90447742

$$$$
WAY-613823
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.3542   -0.4917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542   -1.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583   -0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0750   -0.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583   -1.7292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667   -0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0750   -1.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667   -1.7292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583    0.7458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792    1.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    0.7458    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.7875   -0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7875   -1.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542    1.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792    1.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5083   -0.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542    1.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5083   -1.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667    2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  4  2  0  0  0  0
  8  6  1  0  0  0  0
  9  2  2  0  0  0  0
 10  3  2  0  0  0  0
 11  8  2  0  0  0  0
 12 11  1  0  0  0  0
 13  4  1  0  0  0  0
 14  7  1  0  0  0  0
 15  8  1  0  0  0  0
 16 11  1  0  0  0  0
 17 13  2  0  0  0  0
 18 15  2  0  0  0  0
 19 17  1  0  0  0  0
 20 18  1  0  0  0  0
  7  5  1  0  0  0  0
 20 16  2  0  0  0  0
 14 19  2  0  0  0  0
M  END
>  <Mol_ID> (4,487)
4487

>  <Formula> (4,487)
C15H11ClN2OS

>  <MolWeight> (4,487)
302.77864

>  <COMPOUND_NAME> (4,487)
WAY-613823

>  <BAR_CODE_NO> (4,487)
90447746

$$$$
WAY-613886
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -0.2375    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083   -0.3667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208   -1.0375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2375   -0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292    0.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2750    1.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6042    0.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1875    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8542    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3167    0.7583    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9833   -3.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7250   -2.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0833    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7792   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9292    0.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2750   -1.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6000   -0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4250   -3.8292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3375    2.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833   -3.3917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1458    2.2125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7250    1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9833    2.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833    2.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  5  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8 10  1  0  0  0  0
  9  6  2  0  0  0  0
 10  9  1  0  0  0  0
 11  8  1  0  0  0  0
 12 13  1  0  0  0  0
 13 17  1  0  0  0  0
 14  7  2  0  0  0  0
 15  8  2  0  0  0  0
 16 11  1  0  0  0  0
 17  4  1  0  0  0  0
 18 15  1  0  0  0  0
 19 12  2  0  0  0  0
 20 10  2  0  0  0  0
 21 14  1  0  0  0  0
 22 12  1  0  0  0  0
 23 21  1  0  0  0  0
 24  7  1  0  0  0  0
 25 24  2  0  0  0  0
 26 25  1  0  0  0  0
  3  4  1  0  0  0  0
 26 21  2  0  0  0  0
 16 18  2  0  0  0  0
M  END
>  <Mol_ID> (4,488)
4488

>  <Formula> (4,488)
C19H15ClN2O3S

>  <MolWeight> (4,488)
386.852

>  <COMPOUND_NAME> (4,488)
WAY-613886

>  <BAR_CODE_NO> (4,488)
90447810

$$$$
WAY-613890
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
    0.3292   -0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7333   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292    1.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0750   -0.9292    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.1583    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167    0.9333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167    0.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9833   -1.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750   -2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333   -2.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292   -1.5417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2833   -0.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792    1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9833    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9250   -2.9417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0875   -0.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8333    0.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7958   -2.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5375    1.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6917    2.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958   -0.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958    1.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0500   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958   -0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2208    1.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2042    1.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3667    2.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2208   -0.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6333    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1167    2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  5  2  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  1  2  0  0  0  0
  8  2  2  0  0  0  0
  9 11  1  0  0  0  0
 10  9  1  0  0  0  0
 11  4  1  0  0  0  0
 12  2  1  0  0  0  0
 13  6  1  0  0  0  0
 14  5  1  0  0  0  0
 15  9  2  0  0  0  0
 16 12  2  0  0  0  0
 17 12  1  0  0  0  0
 18  8  1  0  0  0  0
 19 13  1  0  0  0  0
 20 13  2  0  0  0  0
 21 14  2  0  0  0  0
 22 14  1  0  0  0  0
 23 17  1  0  0  0  0
 24 23  1  0  0  0  0
 25 22  2  0  0  0  0
 26 19  2  0  0  0  0
 27 20  1  0  0  0  0
 28 21  1  0  0  0  0
 29 25  1  0  0  0  0
 30 27  2  0  0  0  0
  3  6  1  0  0  0  0
 10  8  1  0  0  0  0
 29 28  2  0  0  0  0
 30 26  1  0  0  0  0
M  END
>  <Mol_ID> (4,489)
4489

>  <Formula> (4,489)
C23H22N4O3

>  <MolWeight> (4,489)
402.44578

>  <COMPOUND_NAME> (4,489)
WAY-613890

>  <BAR_CODE_NO> (4,489)
90447814

$$$$
WAY-613965
csChFnd80/06171916322D

 17 18  0  0  0  0  0  0  0  0999 V2000
    1.4946   -1.2326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0946   -0.5868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2404   -1.2868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2029   -1.9118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4071   -2.0201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4571    0.0757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7696   -2.4076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0429    0.0382    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8679    1.8507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3446   -0.5993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1304    0.6382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2346    2.4632    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.1554    1.8632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2054    1.2257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7846    1.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8346    0.6174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7554    0.0174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  3  1  0  0  0  0
  6  2  2  0  0  0  0
  7  4  1  0  0  0  0
  8 10  1  0  0  0  0
  9 14  1  0  0  0  0
 10  2  1  0  0  0  0
 11 17  1  0  0  0  0
 12  9  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 11  2  0  0  0  0
 16 11  1  0  0  0  0
 17  8  1  0  0  0  0
  5  7  2  0  0  0  0
  9 13  2  0  0  0  0
M  END
>  <Mol_ID> (4,490)
4490

>  <Formula> (4,490)
C13H11ClO2S

>  <MolWeight> (4,490)
266.74324

>  <COMPOUND_NAME> (4,490)
WAY-613965

>  <BAR_CODE_NO> (4,490)
90447890

$$$$
WAY-613970
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    1.8125    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5292    0.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1000    0.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5292   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4750   -0.7667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792    0.8833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8125    1.7083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2417    0.8833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7583   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1000   -0.3542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2417   -0.7667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9000   -1.5917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333    0.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7583    0.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0458   -0.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8125   -0.7667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0458    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1875   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4750   -1.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5292    2.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2417    1.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1875   -2.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9000   -0.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  9  1  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9 15  2  0  0  0  0
 10  3  2  0  0  0  0
 11  4  2  0  0  0  0
 12 23  1  0  0  0  0
 13  6  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16  4  1  0  0  0  0
 17 13  1  0  0  0  0
 18 13  2  0  0  0  0
 19  5  1  0  0  0  0
 20  5  1  0  0  0  0
 21  7  2  0  0  0  0
 22 21  1  0  0  0  0
 23 20  1  0  0  0  0
 24 19  1  0  0  0  0
 22  8  2  0  0  0  0
  9 14  1  0  0  0  0
 12 24  1  0  0  0  0
M  END
>  <Mol_ID> (4,491)
4491

>  <Formula> (4,491)
C16H16N4O4

>  <MolWeight> (4,491)
328.32264

>  <COMPOUND_NAME> (4,491)
WAY-613970

>  <BAR_CODE_NO> (4,491)
90447895

$$$$
WAY-613975
csChFnd80/06171916322D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -0.8067   -0.4726    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2653   -0.4726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1136   -0.0416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1136   -0.9140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0036   -0.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0036   -0.9416    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6343   -0.2036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6343   -0.7416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5450   -0.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8140    0.4584    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8140   -0.4726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3450    0.5170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5933    0.9481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4554    1.0377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9933    1.3067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
  7  8  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (4,492)
4492

>  <Formula> (4,492)
C11H18N2O2

>  <MolWeight> (4,492)
210.27282

>  <COMPOUND_NAME> (4,492)
WAY-613975

>  <BAR_CODE_NO> (4,492)
90447902

$$$$
WAY-613976
csChFnd80/06171916322D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -0.2333   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7125    0.3333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7125   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8292    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4958    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4958   -0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167    1.0458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167   -0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1042    0.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917    1.0958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1042   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2125    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2125   -1.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9250    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9250   -0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  2  1  0  0  0  0
  8  3  1  0  0  0  0
  9  6  1  0  0  0  0
 10  6  2  0  0  0  0
 11  9  1  0  0  0  0
 12  5  2  0  0  0  0
 13 10  1  0  0  0  0
 14  7  1  0  0  0  0
 15  8  1  0  0  0  0
 16 14  2  0  0  0  0
 17 15  2  0  0  0  0
  8  7  2  0  0  0  0
 17 16  1  0  0  0  0
 11 13  2  0  0  0  0
M  END
>  <Mol_ID> (4,493)
4493

>  <Formula> (4,493)
C13H10N2OS

>  <MolWeight> (4,493)
242.2963

>  <COMPOUND_NAME> (4,493)
WAY-613976

>  <BAR_CODE_NO> (4,493)
90447903

$$$$
WAY-613978
csChFnd80/06171916322D

 14 15  0  0  0  0  0  0  0  0999 V2000
    0.1000   -0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8125   -0.5875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6125   -0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6125   -1.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000   -1.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8125   -1.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000    0.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3333   -0.1750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000   -2.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000    2.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6125    1.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8125    1.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8125    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6125    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  3  2  0  0  0  0
  9  5  2  0  0  0  0
 10 13  1  0  0  0  0
 11  7  1  0  0  0  0
 12  7  1  0  0  0  0
 13 12  1  0  0  0  0
 14 11  1  0  0  0  0
  6  5  1  0  0  0  0
 10 14  1  0  0  0  0
M  END
>  <Mol_ID> (4,494)
4494

>  <Formula> (4,494)
C7H11N5O2

>  <MolWeight> (4,494)
197.19454

>  <COMPOUND_NAME> (4,494)
WAY-613978

>  <BAR_CODE_NO> (4,494)
90447905

$$$$
WAY-613981
csChFnd80/06171916322D

 13 14  0  0  0  0  0  0  0  0999 V2000
    0.3667   -0.5042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8500    0.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8500   -1.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6375   -0.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6375   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917   -1.9542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917    0.9458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6958    0.2958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708    0.2083    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.8625    1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333    0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1500    1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  2  0  0  0  0
  8  2  2  0  0  0  0
  9 10  1  0  0  0  0
 10  6  1  0  0  0  0
 11  9  1  0  0  0  0
 12 10  1  0  0  0  0
 13 12  1  0  0  0  0
  5  4  2  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <Mol_ID> (4,495)
4495

>  <Formula> (4,495)
C9H11NO3

>  <MolWeight> (4,495)
181.18854

>  <COMPOUND_NAME> (4,495)
WAY-613981

>  <BAR_CODE_NO> (4,495)
90447908

$$$$
WAY-613982
csChFnd80/06171916322D

 16 17  0  0  0  0  0  0  0  0999 V2000
    3.2667    1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5292    0.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6375    1.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3375    0.2958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    0.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8292    1.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8542    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917    0.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7042    0.7458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5667    2.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2000    2.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000    2.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5542    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3542    0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1000    1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  6  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  1  1  0  0  0  0
  9  8  2  0  0  0  0
 10  5  2  0  0  0  0
 11  6  2  0  0  0  0
 12  3  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15  9  1  0  0  0  0
 16 15  1  0  0  0  0
  7  9  1  0  0  0  0
  5  4  1  0  0  0  0
M  END
>  <Mol_ID> (4,496)
4496

>  <Formula> (4,496)
C11H12N2OS2

>  <MolWeight> (4,496)
252.35578

>  <COMPOUND_NAME> (4,496)
WAY-613982

>  <BAR_CODE_NO> (4,496)
90447909

$$$$
WAY-613991
csChFnd80/06171916322D

 30 34  0  0  0  0  0  0  0  0999 V2000
    1.5917   -0.0792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792    0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1625   -0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5917   -0.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3042    0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1625   -0.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792   -1.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5500    0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0167   -0.0792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4083    0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792    1.1583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3042   -1.3167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6958   -0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708   -0.0792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4083    1.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1958    0.0833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1958    1.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6833    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9833    0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6958    1.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7375    0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3042    1.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9833    1.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5500   -1.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792   -2.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0167    1.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7375    1.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4500   -0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5500   -2.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1625   -2.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  7  2  0  0  0  0
  7  4  1  0  0  0  0
  8  3  2  0  0  0  0
  9  5  1  0  0  0  0
 10 13  1  0  0  0  0
 11  2  2  0  0  0  0
 12  4  2  0  0  0  0
 13 19  2  0  0  0  0
 14  8  1  0  0  0  0
 15 20  1  0  0  0  0
 16 10  1  0  0  0  0
 17 15  1  0  0  0  0
 18 16  1  0  0  0  0
 19 14  1  0  0  0  0
 20 23  2  0  0  0  0
 21  9  2  0  0  0  0
 22  5  2  0  0  0  0
 23 19  1  0  0  0  0
 24  6  1  0  0  0  0
 25  7  1  0  0  0  0
 26 22  1  0  0  0  0
 27 26  2  0  0  0  0
 28 21  1  0  0  0  0
 29 30  1  0  0  0  0
 30 25  2  0  0  0  0
  6  3  1  0  0  0  0
 27 21  1  0  0  0  0
 29 24  2  0  0  0  0
 15 10  2  0  0  0  0
 18 17  1  0  0  0  0
M  END
>  <Mol_ID> (4,497)
4497

>  <Formula> (4,497)
C23H17N3O4

>  <MolWeight> (4,497)
399.39878

>  <COMPOUND_NAME> (4,497)
WAY-613991

>  <BAR_CODE_NO> (4,497)
90447918

$$$$
WAY-614104-A
csChFnd80/06171916322D

 19 22  0  0  0  0  0  0  0  0999 V2000
    3.7917   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7917    0.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5042   -0.5792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0750   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5042    1.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2167   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2167    0.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3625    0.6583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0750    1.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3625   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0750   -1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5042    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9292    1.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9292   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3625   -1.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6500    0.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6500   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  2  0  0  0  0
  7  6  1  0  0  0  0
  8 10  1  0  0  0  0
  9  2  1  0  0  0  0
 10  4  2  0  0  0  0
 11  4  1  0  0  0  0
 12  5  1  0  0  0  0
 13  7  1  0  0  0  0
 14  6  1  0  0  0  0
 15 10  1  0  0  0  0
 16 11  2  0  0  0  0
 17 18  1  0  0  0  0
 18 14  2  0  0  0  0
 19 16  1  0  0  0  0
  8  9  1  0  0  0  0
  7  5  2  0  0  0  0
 19 15  2  0  0  0  0
 17 13  2  0  0  0  0
M  END
>  <Mol_ID> (4,498)
4498

>  <Formula> (4,498)
C17H13NO

>  <MolWeight> (4,498)
247.29122

>  <COMPOUND_NAME> (4,498)
WAY-614104

>  <BAR_CODE_NO> (4,498)
90448032

$$$$
WAY-614111
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -0.6583   -0.0917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.7542    0.7333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4875    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667    0.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667    1.3958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708   -0.5042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4875    1.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0708    0.6208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458   -0.8042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542    1.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667    1.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5250   -0.7167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0875   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708   -1.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0875   -1.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8000   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8000   -1.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  7  1  0  0  0  0
  4  3  1  0  0  0  0
  5  9  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  2  0  0  0  0
  8  1  1  0  0  0  0
  9 13  1  0  0  0  0
 10  1  2  0  0  0  0
 11  1  2  0  0  0  0
 12  6  1  0  0  0  0
 13 12  2  0  0  0  0
 14  4  1  0  0  0  0
 15  8  1  0  0  0  0
 16  8  1  0  0  0  0
 17 16  1  0  0  0  0
 18 15  1  0  0  0  0
 19 17  1  0  0  0  0
 19 18  1  0  0  0  0
  9  3  2  0  0  0  0
  5  2  2  0  0  0  0
M  END
>  <Mol_ID> (4,499)
4499

>  <Formula> (4,499)
C11H14N4O3S

>  <MolWeight> (4,499)
282.31886

>  <COMPOUND_NAME> (4,499)
WAY-614111

>  <BAR_CODE_NO> (4,499)
90448039

$$$$
WAY-614162
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.8583   -0.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458    0.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583    1.2875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0750    0.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0750    1.0333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917   -0.2792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708    0.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8208    0.6208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1125   -0.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3500    0.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7667   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4375   -0.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167   -0.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1917   -0.2417    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.5917   -1.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4083    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4083   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5833    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5833   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3500   -1.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9292   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  4  1  0  0  0  0
  7  2  1  0  0  0  0
  8 17  2  0  0  0  0
  9  1  1  0  0  0  0
 10  6  1  0  0  0  0
 11 13  2  0  0  0  0
 12 11  1  0  0  0  0
 13 10  1  0  0  0  0
 14 12  1  0  0  0  0
 15 21  2  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18  7  1  0  0  0  0
 19  7  2  0  0  0  0
 20 15  1  0  0  0  0
 21 13  1  0  0  0  0
  3  5  1  0  0  0  0
  8 16  1  0  0  0  0
 20 12  2  0  0  0  0
M  END
>  <Mol_ID> (4,500)
4500

>  <Formula> (4,500)
C15H13ClN4S

>  <MolWeight> (4,500)
316.80852

>  <COMPOUND_NAME> (4,500)
WAY-614162

>  <BAR_CODE_NO> (4,500)
90448091

$$$$
WAY-614222
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -1.6000    0.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0833    1.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0833    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1750   -0.6292    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -2.8708    0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8708    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7000   -0.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1125   -1.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3500   -0.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8750   -0.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9375   -1.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1125    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5875   -1.3417    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.8333    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8333   -0.6542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5875    0.0833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9375    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4625   -1.3417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7750    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7000   -2.0542    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.4625    0.0833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5833    1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5833   -0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3625    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2958    0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2958    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  9  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7 10  1  0  0  0  0
  8  7  2  0  0  0  0
  9 17  1  0  0  0  0
 10 21  1  0  0  0  0
 11  8  1  0  0  0  0
 12  7  1  0  0  0  0
 13  4  1  0  0  0  0
 14  2  2  0  0  0  0
 15  3  2  0  0  0  0
 16  4  2  0  0  0  0
 17 12  2  0  0  0  0
 18 10  2  0  0  0  0
 19  1  1  0  0  0  0
 20  8  1  0  0  0  0
 21 24  1  0  0  0  0
 22  6  1  0  0  0  0
 23  5  1  0  0  0  0
 24 19  1  0  0  0  0
 25 23  2  0  0  0  0
 26 22  2  0  0  0  0
  5  6  2  0  0  0  0
 25 26  1  0  0  0  0
  9 11  2  0  0  0  0
M  END
>  <Mol_ID> (4,501)
4501

>  <Formula> (4,501)
C17H11ClN2O6

>  <MolWeight> (4,501)
374.73204

>  <COMPOUND_NAME> (4,501)
WAY-614222

>  <BAR_CODE_NO> (4,501)
90448152

$$$$
WAY-614240
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    1.0901    0.0634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6866    0.9634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5659   -0.8953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0107    0.1323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7625    0.8910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2107    1.9289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9659   -1.7918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6418   -0.9677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5858   -0.7539    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4686    1.1013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3625    1.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8073    2.8254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4418   -2.7608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1211   -1.9332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6548   -0.6849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8866    2.7565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5211   -2.8297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2341    0.2185    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3479   -1.5125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2789   -0.0401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3513   -1.1159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1099    0.6461    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -3.9272    1.7047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1168    0.2668    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 11 16  1  0  0  0  0
 13 17  1  0  0  0  0
 15 18  1  0  0  0  0
 15 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 12 16  2  0  0  0  0
 14 17  2  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (4,502)
4502

>  <Formula> (4,502)
C17H13N3O3S

>  <MolWeight> (4,502)
339.36842

>  <COMPOUND_NAME> (4,502)
WAY-614240

>  <BAR_CODE_NO> (4,502)
90448170

$$$$
WAY-614262
csChFnd80/06171916322D

 32 36  0  0  0  0  0  0  0  0999 V2000
    2.6875    0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6875   -0.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9667   -0.9792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9667    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542    0.2583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542   -0.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4667   -0.8250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4667    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9542   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417   -0.9792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4583   -0.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9667    1.4958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8875   -0.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4583    0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2458   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2458    0.5083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7333   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000   -0.5667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7458   -0.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8875   -1.8042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1708   -0.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417    1.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7458    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1708    1.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0333   -0.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3208   -0.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8042    1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0333    0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7750   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6250    1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1125    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  2  1  0  0  0  0
  8  1  1  0  0  0  0
  9  8  2  0  0  0  0
 10  6  1  0  0  0  0
 11 19  1  0  0  0  0
 12  4  2  0  0  0  0
 13 22  1  0  0  0  0
 14 24  1  0  0  0  0
 15 11  1  0  0  0  0
 16 14  1  0  0  0  0
 17 15  1  0  0  0  0
 18 13  1  0  0  0  0
 19 26  2  0  0  0  0
 20  5  1  0  0  0  0
 21 13  2  0  0  0  0
 22 10  1  0  0  0  0
 23 20  1  0  0  0  0
 24 29  2  0  0  0  0
 25 23  2  0  0  0  0
 26 27  1  0  0  0  0
 27 18  1  0  0  0  0
 28  8  1  0  0  0  0
 29 26  1  0  0  0  0
 30  9  1  0  0  0  0
 31 28  1  0  0  0  0
 32 31  1  0  0  0  0
  9  7  1  0  0  0  0
  3  6  2  0  0  0  0
 32 30  1  0  0  0  0
 14 11  2  0  0  0  0
 17 16  1  0  0  0  0
M  END
>  <Mol_ID> (4,503)
4503

>  <Formula> (4,503)
C23H23N3O4S2

>  <MolWeight> (4,503)
469.57642

>  <COMPOUND_NAME> (4,503)
WAY-614262

>  <BAR_CODE_NO> (4,503)
90448192

$$$$
WAY-614266
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -1.3708    0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708    0.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6500    1.3833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6500   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0625    0.1458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0625    0.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1500   -0.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1500    1.2250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6333    0.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7792    1.3833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.9167    0.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042    1.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6500   -1.0917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750    1.3083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4083   -0.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4917    0.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0042    0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7792   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2292    0.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042    2.2083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8167   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7792   -1.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4917   -1.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8583   -1.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2125   -1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4708   -1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1083   -2.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9125   -2.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  7  2  0  0  0  0
 10  6  1  0  0  0  0
 11 12  1  0  0  0  0
 12 16  1  0  0  0  0
 13  4  2  0  0  0  0
 14 11  1  0  0  0  0
 15  7  1  0  0  0  0
 16 10  1  0  0  0  0
 17 11  2  0  0  0  0
 18  5  1  0  0  0  0
 19 14  1  0  0  0  0
 20 12  2  0  0  0  0
 21 17  1  0  0  0  0
 22 18  1  0  0  0  0
 23 22  2  0  0  0  0
 24 15  2  0  0  0  0
 25 15  1  0  0  0  0
 26 25  2  0  0  0  0
 27 24  1  0  0  0  0
 28 26  1  0  0  0  0
  9  8  1  0  0  0  0
  3  6  2  0  0  0  0
 28 27  2  0  0  0  0
 19 21  2  0  0  0  0
M  END
>  <Mol_ID> (4,504)
4504

>  <Formula> (4,504)
C21H16N2O3S2

>  <MolWeight> (4,504)
408.49334

>  <COMPOUND_NAME> (4,504)
WAY-614266

>  <BAR_CODE_NO> (4,504)
90448196

$$$$
WAY-614421
csChFnd80/06171916322D

 26 30  0  0  0  0  0  0  0  0999 V2000
   -0.6625    0.2250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6625   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542    0.6375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3750    0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3750   -1.0125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667    0.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0958    0.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542   -1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0958   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792    0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3750    1.4625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917    0.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792    1.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8083    0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917    1.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9125    0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9125    1.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542   -1.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792   -1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8083   -1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6250    1.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5208    0.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792   -1.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5208   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  2  0  0  0  0
  6  3  2  0  0  0  0
  7  4  1  0  0  0  0
  8  2  1  0  0  0  0
  9  6  1  0  0  0  0
 10  7  2  0  0  0  0
 11  6  1  0  0  0  0
 12  4  2  0  0  0  0
 13 11  2  0  0  0  0
 14 11  1  0  0  0  0
 15  7  1  0  0  0  0
 16 14  2  0  0  0  0
 17 13  1  0  0  0  0
 18 16  1  0  0  0  0
 19  8  1  0  0  0  0
 20  9  1  0  0  0  0
 21 10  1  0  0  0  0
 22 18  1  0  0  0  0
 23 15  2  0  0  0  0
 24 19  2  0  0  0  0
 25 20  2  0  0  0  0
 26 23  1  0  0  0  0
 10  5  1  0  0  0  0
  9  8  2  0  0  0  0
 21 26  2  0  0  0  0
 25 24  1  0  0  0  0
 18 17  2  0  0  0  0
M  END
>  <Mol_ID> (4,505)
4505

>  <Formula> (4,505)
C22H15N3O

>  <MolWeight> (4,505)
337.374

>  <COMPOUND_NAME> (4,505)
WAY-614421

>  <BAR_CODE_NO> (4,505)
90448353

$$$$
WAY-614448
csChFnd80/06171916322D

 17 19  0  0  0  0  0  0  0  0999 V2000
    1.7150   -0.0918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4219   -0.8401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7909    0.9530    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0082   -0.8401    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4219   -2.3298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9953   -0.3781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4461    1.5392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0082   -2.3298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9953   -2.7918    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7150   -3.0746    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8712   -1.5850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7229    0.6771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2806    2.9806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0539    1.2564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0505    3.5599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2160    2.6978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9022    0.5978    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
  7 12  2  0  0  0  0
  7 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (4,506)
4506

>  <Formula> (4,506)
C12H8ClN3S

>  <MolWeight> (4,506)
261.73002

>  <COMPOUND_NAME> (4,506)
WAY-614448

>  <BAR_CODE_NO> (4,506)
90448380

$$$$
WAY-614523
csChFnd80/06171916322D

 22 25  0  0  0  0  0  0  0  0999 V2000
    1.1792   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2625   -1.4917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4625    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500    0.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9292   -0.3292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4625   -0.2542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4792   -0.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667   -1.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0375    0.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5208    1.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500    1.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0375    2.0583    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1792    0.9833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4625    2.2208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1792    1.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2958   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6500   -2.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7375   -0.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0958   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3583   -1.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8000   -1.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  6  1  0  0  0  0
  4  3  2  0  0  0  0
  5  1  2  0  0  0  0
  6  1  1  0  0  0  0
  7  5  1  0  0  0  0
  8  2  1  0  0  0  0
  9  4  1  0  0  0  0
 10  9  2  0  0  0  0
 11  4  1  0  0  0  0
 12 11  1  0  0  0  0
 13  3  1  0  0  0  0
 14 15  1  0  0  0  0
 15 13  2  0  0  0  0
 16  9  1  0  0  0  0
 17  2  1  0  0  0  0
 18 16  2  0  0  0  0
 19 16  1  0  0  0  0
 20 19  2  0  0  0  0
 21 18  1  0  0  0  0
 22 20  1  0  0  0  0
  7  8  2  0  0  0  0
 14 11  2  0  0  0  0
 10 12  1  0  0  0  0
 22 21  2  0  0  0  0
M  END
>  <Mol_ID> (4,507)
4507

>  <Formula> (4,507)
C14H10N6S2

>  <MolWeight> (4,507)
326.3994

>  <COMPOUND_NAME> (4,507)
WAY-614523

>  <BAR_CODE_NO> (4,507)
90448457

$$$$
WAY-614527
csChFnd80/06171916322D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.4933    0.3519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3588    0.1243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2205   -0.2136    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1692    1.1864    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9692    0.7519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6071   -0.7377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9929    0.3036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7205    1.1864    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8588    0.5416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4795   -0.9584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8205    0.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0968   -0.2964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0032   -0.8757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5170    0.5726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9692   -0.4757    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.8550   -1.1619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3412    0.2864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5308   -0.5895    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  9 12  2  0  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
  7  8  2  0  0  0  0
 10 12  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (4,508)
4508

>  <Formula> (4,508)
C13H8ClN3O

>  <MolWeight> (4,508)
257.67512

>  <COMPOUND_NAME> (4,508)
WAY-614527

>  <BAR_CODE_NO> (4,508)
90448461

$$$$
WAY-614542
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.2458   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7250   -1.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7250    0.1708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083   -0.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917    0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792   -0.5042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4708   -1.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792    0.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208   -2.7375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917    1.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2292    0.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8167    0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792    2.3583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8167    1.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2250   -1.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2250    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1847    1.2201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1860    0.6344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9375   -0.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9375   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  7  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  6  2  0  0  0  0
 10  8  3  0  0  0  0
 11  9  1  0  0  0  0
 12 13  1  0  0  0  0
 13  6  1  0  0  0  0
 14 11  2  0  0  0  0
 15 12  1  0  0  0  0
 16  4  1  0  0  0  0
 17  5  1  0  0  0  0
 18 12  1  0  0  0  0
 19 12  1  0  0  0  0
 20 16  1  0  0  0  0
 21 17  1  0  0  0  0
  4  5  2  0  0  0  0
 20 21  1  0  0  0  0
 11 15  1  0  0  0  0
M  END
>  <Mol_ID> (4,509)
4509

>  <Formula> (4,509)
C17H20N2OS

>  <MolWeight> (4,509)
300.4185

>  <COMPOUND_NAME> (4,509)
WAY-614542

>  <BAR_CODE_NO> (4,509)
90448476

$$$$
WAY-614544
csChFnd80/06171916322D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -0.8375    1.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0500    2.1708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208    2.5833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958    1.1333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8625   -2.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167   -1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542   -2.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958   -1.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5625   -0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5375    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0500    2.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4125   -2.7167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8375    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2167   -2.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  7  1  0  0  0  0
  6 15  1  0  0  0  0
  7 10  2  0  0  0  0
  8  9  1  0  0  0  0
  9  6  2  0  0  0  0
 10  6  1  0  0  0  0
 11  4  1  0  0  0  0
 12  2  1  0  0  0  0
 13  5  1  0  0  0  0
 14  3  1  0  0  0  0
 15 11  1  0  0  0  0
 16 13  1  0  0  0  0
 14 12  1  0  0  0  0
  5  8  2  0  0  0  0
M  END
>  <Mol_ID> (4,510)
4510

>  <Formula> (4,510)
C12H16N2OS

>  <MolWeight> (4,510)
236.33324

>  <COMPOUND_NAME> (4,510)
WAY-614544

>  <BAR_CODE_NO> (4,510)
90448478

$$$$
WAY-614614
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
   -0.8583   -1.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6458   -1.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1875   -1.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1250   -2.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583   -2.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6458   -2.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1875   -0.4917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917   -1.5667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917   -0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792   -0.9042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9750    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7167    1.6750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4167    3.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9125    1.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9500   -2.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8500    0.5458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3542    2.1208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6792    3.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8958   -0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8958   -3.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7792    2.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0375    3.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6167    2.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4792    4.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3625   -2.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3625   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1250    4.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1875   -2.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1875   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6000   -2.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  2  0  0  0  0
  7  3  1  0  0  0  0
  8  3  2  0  0  0  0
  9  7  1  0  0  0  0
 10  8  1  0  0  0  0
 11 12  1  0  0  0  0
 12 14  1  0  0  0  0
 13 11  2  0  0  0  0
 14 19  1  0  0  0  0
 15  4  1  0  0  0  0
 16  9  1  0  0  0  0
 17 14  2  0  0  0  0
 18 13  1  0  0  0  0
 19 16  1  0  0  0  0
 20  2  1  0  0  0  0
 21  6  1  0  0  0  0
 22 11  1  0  0  0  0
 23 22  2  0  0  0  0
 24 13  1  0  0  0  0
 25 23  1  0  0  0  0
 26 15  2  0  0  0  0
 27 15  1  0  0  0  0
 28 18  1  0  0  0  0
 29 26  1  0  0  0  0
 30 27  2  0  0  0  0
 31 30  1  0  0  0  0
  4  6  1  0  0  0  0
  9 10  2  0  0  0  0
 31 29  2  0  0  0  0
 25 18  2  0  0  0  0
M  END
>  <Mol_ID> (4,511)
4511

>  <Formula> (4,511)
C24H24N4O2S

>  <MolWeight> (4,511)
432.53796

>  <COMPOUND_NAME> (4,511)
WAY-614614

>  <BAR_CODE_NO> (4,511)
90448550

$$$$
WAY-614657
csChFnd80/06171916322D

 22 25  0  0  0  0  0  0  0  0999 V2000
   -1.4125   -0.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9167   -0.4625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8958   -0.0917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9167    0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1375    0.6208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1375   -0.7167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8958   -1.4292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6500   -0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6833   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6833   -1.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5875   -0.7667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5875    0.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1750   -0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3958    0.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3958   -1.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3417    0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    1.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1083   -1.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1083   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1667    2.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0042    0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9167    1.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  6  1  0  0  0  0
  3  1  2  0  0  0  0
  4  5  1  0  0  0  0
  5  8  1  0  0  0  0
  6  8  2  0  0  0  0
  7  1  1  0  0  0  0
  8 13  1  0  0  0  0
  9  3  1  0  0  0  0
 10  7  1  0  0  0  0
 11  1  1  0  0  0  0
 12  4  1  0  0  0  0
 13 11  1  0  0  0  0
 14  9  1  0  0  0  0
 15 10  1  0  0  0  0
 16 12  1  0  0  0  0
 17 12  2  0  0  0  0
 18 15  2  0  0  0  0
 19 14  2  0  0  0  0
 20 17  1  0  0  0  0
 21 16  2  0  0  0  0
 22 20  2  0  0  0  0
 10  9  2  0  0  0  0
 18 19  1  0  0  0  0
  4  2  2  0  0  0  0
 22 21  1  0  0  0  0
M  END
>  <Mol_ID> (4,512)
4512

>  <Formula> (4,512)
C16H12N4OS

>  <MolWeight> (4,512)
308.35768

>  <COMPOUND_NAME> (4,512)
WAY-614657

>  <BAR_CODE_NO> (4,512)
90448593

$$$$
WAY-614689
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -0.0458    1.6375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5958    1.0250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3375    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -0.4250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3375   -1.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417   -0.0125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417   -0.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042    2.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583    2.1958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667    1.0875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5958   -1.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542    3.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458   -2.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4000   -2.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083   -3.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958   -3.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6583   -2.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8667    2.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8042    3.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6125    3.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3583   -4.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1667    4.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8083   -4.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  3  1  0  0  0  0
  7  6  1  0  0  0  0
  8  1  1  0  0  0  0
  9  1  2  0  0  0  0
 10  1  2  0  0  0  0
 11  5  1  0  0  0  0
 12  8  2  0  0  0  0
 13  8  1  0  0  0  0
 14 11  1  0  0  0  0
 15 11  2  0  0  0  0
 16 18  2  0  0  0  0
 17 14  2  0  0  0  0
 18 15  1  0  0  0  0
 19 13  2  0  0  0  0
 20 12  1  0  0  0  0
 21 19  1  0  0  0  0
 22 16  1  0  0  0  0
 23 21  1  0  0  0  0
 24 22  1  0  0  0  0
 21 20  2  0  0  0  0
  7  5  2  0  0  0  0
 17 16  1  0  0  0  0
M  END
>  <Mol_ID> (4,513)
4513

>  <Formula> (4,513)
C17H16N2O3S2

>  <MolWeight> (4,513)
360.45054

>  <COMPOUND_NAME> (4,513)
WAY-614689

>  <BAR_CODE_NO> (4,513)
90448625

$$$$
WAY-614707
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    1.8625   -2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417   -2.5625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958    1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5750   -2.5625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958    0.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8625   -1.3250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7125    1.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833   -0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7125   -0.0875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833   -0.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292    0.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417   -0.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7125    2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417   -0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292   -1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417   -3.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8625   -3.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5750   -3.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4250    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958    3.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4250    3.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7125    4.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  5  1  0  0  0  0
  4  1  1  0  0  0  0
  5  8  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  2  0  0  0  0
  8 10  1  0  0  0  0
  9  5  2  0  0  0  0
 10 15  2  0  0  0  0
 11 14  1  0  0  0  0
 12  6  1  0  0  0  0
 13  7  1  0  0  0  0
 14 12  2  0  0  0  0
 15 12  1  0  0  0  0
 16  2  1  0  0  0  0
 17 18  1  0  0  0  0
 18  4  1  0  0  0  0
 19 13  2  0  0  0  0
 20 13  1  0  0  0  0
 21 20  2  0  0  0  0
 22 19  1  0  0  0  0
 23 21  1  0  0  0  0
 17 16  1  0  0  0  0
  8 11  2  0  0  0  0
 23 22  2  0  0  0  0
M  END
>  <Mol_ID> (4,514)
4514

>  <Formula> (4,514)
C19H18N2OS

>  <MolWeight> (4,514)
322.42402

>  <COMPOUND_NAME> (4,514)
WAY-614707

>  <BAR_CODE_NO> (4,514)
90448644

$$$$
WAY-614750
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.4250   -0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1375   -0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2917   -0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8583   -0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1375    0.9958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042   -0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7167   -0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8583    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4250    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4292   -0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1375   -1.4792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4292    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7167    0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7167   -1.4792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5708   -0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1500    0.9958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5708    0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042   -1.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1500    1.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2833   -0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2833    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  9  1  0  0  0  0
  6  3  1  0  0  0  0
  7  6  2  0  0  0  0
  8  5  1  0  0  0  0
  9  1  1  0  0  0  0
 10  7  1  0  0  0  0
 11  2  2  0  0  0  0
 12  6  1  0  0  0  0
 13 14  1  0  0  0  0
 14 12  2  0  0  0  0
 15  7  1  0  0  0  0
 16  4  1  0  0  0  0
 17 13  1  0  0  0  0
 18  8  1  0  0  0  0
 19 15  1  0  0  0  0
 20 17  1  0  0  0  0
 21 16  2  0  0  0  0
 22 18  2  0  0  0  0
  8  4  2  0  0  0  0
 21 22  1  0  0  0  0
 13 10  2  0  0  0  0
M  END
>  <Mol_ID> (4,515)
4515

>  <Formula> (4,515)
C18H16O4

>  <MolWeight> (4,515)
296.31724

>  <COMPOUND_NAME> (4,515)
WAY-614750

>  <BAR_CODE_NO> (4,515)
90448688

$$$$
WAY-614755
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
    0.2167   -0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2625   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2625    1.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042   -1.4167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167   -1.6667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042   -0.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7417    2.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167    1.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333    0.4500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2625    3.1833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208    2.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0875   -1.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333   -2.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3250    0.8958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5667    2.5208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6667   -1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6667   -0.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375    1.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375    3.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458   -2.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167   -3.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9500    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9500    2.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2625   -3.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958   -3.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458   -4.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  8  1  0  0  0  0
  4  6  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  2  0  0  0  0
  7  3  2  0  0  0  0
  8  9  1  0  0  0  0
  9  1  1  0  0  0  0
 10  7  1  0  0  0  0
 11  3  1  0  0  0  0
 12 11  2  0  0  0  0
 13  2  2  0  0  0  0
 14  5  1  0  0  0  0
 15  8  2  0  0  0  0
 16  7  1  0  0  0  0
 17  4  1  0  0  0  0
 18  6  1  0  0  0  0
 19 11  1  0  0  0  0
 20 12  1  0  0  0  0
 21 14  1  0  0  0  0
 22 14  2  0  0  0  0
 23 19  1  0  0  0  0
 24 23  1  0  0  0  0
 25 22  1  0  0  0  0
 26 21  2  0  0  0  0
 27 25  2  0  0  0  0
  4  5  1  0  0  0  0
 12 10  1  0  0  0  0
 27 26  1  0  0  0  0
 24 20  1  0  0  0  0
M  END
>  <Mol_ID> (4,516)
4516

>  <Formula> (4,516)
C20H22N4O2S

>  <MolWeight> (4,516)
382.47928

>  <COMPOUND_NAME> (4,516)
WAY-614755

>  <BAR_CODE_NO> (4,516)
90448694

$$$$
WAY-614810
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
    3.4250   -1.9625    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -2.2875    0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0750    1.5958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2875    1.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0750    0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5583    0.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4250   -1.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7125   -0.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7125   -2.3750    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.9917    0.5125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1417   -2.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5750    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7125    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5750    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792   -0.7250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583    0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458    0.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667    0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583    1.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4083   -0.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3833    0.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1417   -0.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1417    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4250    0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2333   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7208    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 13  1  0  0  0  0
  3  4  1  0  0  0  0
  4 15  1  0  0  0  0
  5  2  1  0  0  0  0
  6  5  2  0  0  0  0
  7  1  1  0  0  0  0
  8  7  2  0  0  0  0
  9 11  1  0  0  0  0
 10  1  1  0  0  0  0
 11 14  1  0  0  0  0
 12  1  2  0  0  0  0
 13 17  2  0  0  0  0
 14  8  1  0  0  0  0
 15 20  2  0  0  0  0
 16  9  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19  9  1  0  0  0  0
 20 17  1  0  0  0  0
 21  5  1  0  0  0  0
 22  6  1  0  0  0  0
 23  7  1  0  0  0  0
 24 23  2  0  0  0  0
 25 24  1  0  0  0  0
 26 21  2  0  0  0  0
 27 26  1  0  0  0  0
 25 14  2  0  0  0  0
  4  2  2  0  0  0  0
  6  3  1  0  0  0  0
 27 22  2  0  0  0  0
M  END
>  <Mol_ID> (4,517)
4517

>  <Formula> (4,517)
C20H14N2O5

>  <MolWeight> (4,517)
362.33556

>  <COMPOUND_NAME> (4,517)
WAY-614810

>  <BAR_CODE_NO> (4,517)
90448749

$$$$
WAY-614824
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -0.7000    0.3458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7292    0.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7292    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7000    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167    1.5833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5167    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5167    1.4250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4125   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4125    1.5833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167   -0.8917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667   -0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5750   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167   -1.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2792   -2.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1333    0.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4750   -2.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8292   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5292   -3.0500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.8458   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1333    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8458    1.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5583    0.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5583    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  6  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7  2  1  0  0  0  0
  8  4  1  0  0  0  0
  9  7  2  0  0  0  0
 10  1  1  0  0  0  0
 11  5  2  0  0  0  0
 12  3  2  0  0  0  0
 13  7  1  0  0  0  0
 14 13  1  0  0  0  0
 15 13  2  0  0  0  0
 16 18  2  0  0  0  0
 17 10  1  0  0  0  0
 18 15  1  0  0  0  0
 19 14  2  0  0  0  0
 20 16  1  0  0  0  0
 21 17  2  0  0  0  0
 22 17  1  0  0  0  0
 23 22  2  0  0  0  0
 24 21  1  0  0  0  0
 25 23  1  0  0  0  0
  4  2  2  0  0  0  0
  8  9  1  0  0  0  0
 25 24  2  0  0  0  0
 19 16  1  0  0  0  0
M  END
>  <Mol_ID> (4,518)
4518

>  <Formula> (4,518)
C19H13ClN2OS2

>  <MolWeight> (4,518)
384.90232

>  <COMPOUND_NAME> (4,518)
WAY-614824

>  <BAR_CODE_NO> (4,518)
90448763

$$$$
WAY-614847
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -0.3000    2.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167    2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000    3.7125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0125   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0125    2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0125    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1292    2.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1292   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1292    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167    4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8417   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1292   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8417   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1292   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  5  1  0  0  0  0
  4  1  1  0  0  0  0
  5  8  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  2  0  0  0  0
  8 11  2  0  0  0  0
  9  5  2  0  0  0  0
 10 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12  6  1  0  0  0  0
 13  7  1  0  0  0  0
 14 13  1  0  0  0  0
 15 12  1  0  0  0  0
 16 12  2  0  0  0  0
 17  2  1  0  0  0  0
 18 14  2  0  0  0  0
 19 20  1  0  0  0  0
 20  4  1  0  0  0  0
 21 22  1  0  0  0  0
 22 13  2  0  0  0  0
 23 21  2  0  0  0  0
 24 18  1  0  0  0  0
 19 17  1  0  0  0  0
 10  8  1  0  0  0  0
 23 18  1  0  0  0  0
M  END
>  <Mol_ID> (4,519)
4519

>  <Formula> (4,519)
C20H20N2OS

>  <MolWeight> (4,519)
336.4506

>  <COMPOUND_NAME> (4,519)
WAY-614847

>  <BAR_CODE_NO> (4,519)
90448787

$$$$
WAY-614850
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.7708   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2500   -1.7667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2500   -0.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0375   -1.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0375   -0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667   -0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7042    1.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917   -0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5292    1.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917    1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667   -1.8167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7042    0.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9417    1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5292    0.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917    2.4708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9417    2.4708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7500   -1.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7500   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667    2.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4708   -1.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4708   -0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8 11  1  0  0  0  0
  9  7  2  0  0  0  0
 10 14  1  0  0  0  0
 11 13  2  0  0  0  0
 12  4  2  0  0  0  0
 13  9  1  0  0  0  0
 14 15  2  0  0  0  0
 15 13  1  0  0  0  0
 16  8  1  0  0  0  0
 17 10  1  0  0  0  0
 18  5  1  0  0  0  0
 19  6  1  0  0  0  0
 20 16  1  0  0  0  0
 21 18  2  0  0  0  0
 22 19  2  0  0  0  0
  5  6  2  0  0  0  0
 21 22  1  0  0  0  0
 10  8  2  0  0  0  0
M  END
>  <Mol_ID> (4,520)
4520

>  <Formula> (4,520)
C18H14O4

>  <MolWeight> (4,520)
294.30136

>  <COMPOUND_NAME> (4,520)
WAY-614850

>  <BAR_CODE_NO> (4,520)
90448790

$$$$
WAY-630389
csChFnd80/06171916322D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -2.1833   -0.7042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7000   -1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7000   -0.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208   -1.1167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208   -0.2917    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.9583   -2.1542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9583    0.7458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500    0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042   -0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667    0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0875    1.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9250    0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5917    0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542    1.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042    1.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  2  0  0  0  0
  7  3  2  0  0  0  0
  8  5  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 10  1  0  0  0  0
 13 12  2  0  0  0  0
 14 11  1  0  0  0  0
 15 13  1  0  0  0  0
  5  4  1  0  0  0  0
 15 14  2  0  0  0  0
M  END
>  <Mol_ID> (4,521)
4521

>  <Formula> (4,521)
C11H12N2O2

>  <MolWeight> (4,521)
204.22518

>  <COMPOUND_NAME> (4,521)
WAY-630389

>  <BAR_CODE_NO> (4,521)
90464722

$$$$
WAY-630525
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -0.8958    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8958    2.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6083    3.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6083    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2500    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2500   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2500   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6083    4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2500   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8958    4.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833    4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2500   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  9  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  3  1  0  0  0  0
  7 13  2  0  0  0  0
  8  1  2  0  0  0  0
  9  2  1  0  0  0  0
 10  3  2  0  0  0  0
 11  6  1  0  0  0  0
 12  6  2  0  0  0  0
 13 12  1  0  0  0  0
 14 11  2  0  0  0  0
 15  7  1  0  0  0  0
 16  5  1  0  0  0  0
 17  4  1  0  0  0  0
 18 15  1  0  0  0  0
 19 15  1  0  0  0  0
 20 21  1  0  0  0  0
 21 17  2  0  0  0  0
 22 19  1  0  0  0  0
 23 18  1  0  0  0  0
 24 22  1  0  0  0  0
 20 16  2  0  0  0  0
  7 14  1  0  0  0  0
 24 23  1  0  0  0  0
M  END
>  <Mol_ID> (4,522)
4522

>  <Formula> (4,522)
C20H21NO3

>  <MolWeight> (4,522)
323.38564

>  <COMPOUND_NAME> (4,522)
WAY-630525

>  <BAR_CODE_NO> (4,522)
90464860

$$$$
WAY-630591
csChFnd80/06171916322D

 22 23  0  0  0  0  0  0  0  0999 V2000
   -1.0458   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3250   -2.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0458   -0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7583   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3250   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7583   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0458   -3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8167    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3875   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042    1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3875    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5292    3.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4708   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8167    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4708   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8167    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5292    2.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2417    4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8167    4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1833   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1833   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  6  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  2  0  0  0  0
  7 12  1  0  0  0  0
  8  1  2  0  0  0  0
  9  7  2  0  0  0  0
 10  5  1  0  0  0  0
 11  7  1  0  0  0  0
 12 10  1  0  0  0  0
 13 18  1  0  0  0  0
 14  4  1  0  0  0  0
 15 17  1  0  0  0  0
 16  6  1  0  0  0  0
 17 11  1  0  0  0  0
 18 15  1  0  0  0  0
 19 13  1  0  0  0  0
 20 13  1  0  0  0  0
 21 14  2  0  0  0  0
 22 21  1  0  0  0  0
  3  5  2  0  0  0  0
 22 16  2  0  0  0  0
M  END
>  <Mol_ID> (4,523)
4523

>  <Formula> (4,523)
C16H22N4O2

>  <MolWeight> (4,523)
302.37148

>  <COMPOUND_NAME> (4,523)
WAY-630591

>  <BAR_CODE_NO> (4,523)
90464926

$$$$
WAY-630621
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -1.0208    0.7208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083    1.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083    0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2875    0.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2875    1.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2792   -0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542   -0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6917   -1.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2500    2.1708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2500   -0.7375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5167   -1.4250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0417   -1.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2792   -2.1417    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.0417    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6917    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0083   -0.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0083    1.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9292   -0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5167    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7208    1.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7208    0.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  7  1  0  0  0  0
  7 15  1  0  0  0  0
  8  6  2  0  0  0  0
  9  2  2  0  0  0  0
 10  3  2  0  0  0  0
 11  8  1  0  0  0  0
 12  7  2  0  0  0  0
 13  1  1  0  0  0  0
 14  8  1  0  0  0  0
 15 19  1  0  0  0  0
 16  6  1  0  0  0  0
 17  4  1  0  0  0  0
 18  5  1  0  0  0  0
 19 13  1  0  0  0  0
 20 21  1  0  0  0  0
 21 16  2  0  0  0  0
 22 18  2  0  0  0  0
 23 17  2  0  0  0  0
  4  5  2  0  0  0  0
 23 22  1  0  0  0  0
 20 11  2  0  0  0  0
M  END
>  <Mol_ID> (4,524)
4524

>  <Formula> (4,524)
C16H11ClN2O4

>  <MolWeight> (4,524)
330.72254

>  <COMPOUND_NAME> (4,524)
WAY-630621

>  <BAR_CODE_NO> (4,524)
90464957

$$$$
WAY-630624
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
    2.3167    0.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5667    0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542    1.2583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8667    0.7208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4542    1.4333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4917   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4333    0.0250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7208    0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8500    0.0250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1583    0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4333    1.6750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0083    0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2958    0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7208    1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5750    0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2750   -0.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8792   -1.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1375    0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8625    0.0250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2958    1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1583    1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0083    1.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5750   -0.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4417   -1.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0500   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8292   -2.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8875   -0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4375   -2.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  1  1  0  0  0  0
  7  8  1  0  0  0  0
  8 12  1  0  0  0  0
  9  2  1  0  0  0  0
 10  7  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 13 15  1  0  0  0  0
 14 22  1  0  0  0  0
 15 18  1  0  0  0  0
 16  6  2  0  0  0  0
 17  6  1  0  0  0  0
 18  9  1  0  0  0  0
 19 10  2  0  0  0  0
 20 13  1  0  0  0  0
 21 11  1  0  0  0  0
 22 20  2  0  0  0  0
 23 15  2  0  0  0  0
 24 16  1  0  0  0  0
 25 17  2  0  0  0  0
 26 25  1  0  0  0  0
 27 16  1  0  0  0  0
 28 25  1  0  0  0  0
  3  5  1  0  0  0  0
 24 26  2  0  0  0  0
 14  8  2  0  0  0  0
 10 21  1  0  0  0  0
M  END
>  <Mol_ID> (4,525)
4525

>  <Formula> (4,525)
C19H17N5O3S

>  <MolWeight> (4,525)
395.43498

>  <COMPOUND_NAME> (4,525)
WAY-630624

>  <BAR_CODE_NO> (4,525)
90464960

$$$$
WAY-630701
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
    0.8792    0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3625   -0.5042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3625    0.8333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1500    0.5833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1500   -0.2417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542    0.1708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583    0.8833    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.1833    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042   -1.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958    1.5958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958    0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542    1.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417   -2.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6625   -1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4042   -2.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833   -0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4208    0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792    1.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583    2.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6000   -2.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583   -2.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8333   -0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917    2.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542    3.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958   -1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4208   -1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792    3.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  2  1  0  0  0  0
 10  9  1  0  0  0  0
 11  8  2  0  0  0  0
 12  8  1  0  0  0  0
 13  7  1  0  0  0  0
 14 10  2  0  0  0  0
 15  9  2  0  0  0  0
 16 15  1  0  0  0  0
 17 12  2  0  0  0  0
 18 12  1  0  0  0  0
 19 13  1  0  0  0  0
 20 13  2  0  0  0  0
 21 16  2  0  0  0  0
 22 14  1  0  0  0  0
 23 18  2  0  0  0  0
 24 19  2  0  0  0  0
 25 20  1  0  0  0  0
 26 17  1  0  0  0  0
 27 23  1  0  0  0  0
 28 25  2  0  0  0  0
  4  5  2  0  0  0  0
 21 14  1  0  0  0  0
 28 24  1  0  0  0  0
 27 26  2  0  0  0  0
M  END
>  <Mol_ID> (4,526)
4526

>  <Formula> (4,526)
C22H18N4OS

>  <MolWeight> (4,526)
386.46952

>  <COMPOUND_NAME> (4,526)
WAY-630701

>  <BAR_CODE_NO> (4,526)
90465039

$$$$
WAY-630728
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    0.0792   -1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667   -1.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333   -1.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3500   -0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667    0.0333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333    0.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458   -1.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1750   -0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0625    0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333   -2.2875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7750    1.4250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5875   -1.3542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0625    1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167   -2.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5875    0.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7750    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4125    0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458    1.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8250    0.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0625    2.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  2  0  0  0  0
  6  2  1  0  0  0  0
  7  2  1  0  0  0  0
  8  9  1  0  0  0  0
  9  4  1  0  0  0  0
 10  5  1  0  0  0  0
 11  8  1  0  0  0  0
 12  4  2  0  0  0  0
 13 15  2  0  0  0  0
 14 10  2  0  0  0  0
 15 11  1  0  0  0  0
 16  3  1  0  0  0  0
 17 10  1  0  0  0  0
 18 13  1  0  0  0  0
 19 17  1  0  0  0  0
 20 15  1  0  0  0  0
 21 19  1  0  0  0  0
 22 23  1  0  0  0  0
 23 20  2  0  0  0  0
  6  5  1  0  0  0  0
  8  7  2  0  0  0  0
 22 18  2  0  0  0  0
M  END
>  <Mol_ID> (4,527)
4527

>  <Formula> (4,527)
C16H15N3O3S

>  <MolWeight> (4,527)
329.3736

>  <COMPOUND_NAME> (4,527)
WAY-630728

>  <BAR_CODE_NO> (4,527)
90465068

$$$$
WAY-630819
csChFnd80/06171916322D

 22 25  0  0  0  0  0  0  0  0999 V2000
    0.3375   -0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9333    0.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458    0.2958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458   -1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1625   -0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9333   -0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5750    0.3375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875   -0.3292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6458    0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875    1.0083    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6458   -1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5750   -1.0917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6667   -0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6667    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3583    0.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3583   -0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042   -1.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6458    1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0750    0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3583    1.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0750    1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  2  2  0  0  0  0
 11  8  1  0  0  0  0
 12  6  2  0  0  0  0
 13  5  2  0  0  0  0
 14  9  1  0  0  0  0
 15 11  1  0  0  0  0
 16 10  1  0  0  0  0
 17 12  1  0  0  0  0
 18  4  1  0  0  0  0
 19 10  1  0  0  0  0
 20 16  1  0  0  0  0
 21 19  2  0  0  0  0
 22 21  1  0  0  0  0
  6  2  1  0  0  0  0
 16 17  2  0  0  0  0
 15 14  2  0  0  0  0
 22 20  2  0  0  0  0
M  END
>  <Mol_ID> (4,528)
4528

>  <Formula> (4,528)
C17H12N2O2S

>  <MolWeight> (4,528)
308.35438

>  <COMPOUND_NAME> (4,528)
WAY-630819

>  <BAR_CODE_NO> (4,528)
90465168

$$$$
WAY-630921
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -1.0750   -2.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583   -2.3667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0750   -1.1292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7875   -2.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583   -1.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7875   -1.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667    0.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0750   -3.6042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667    0.9333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792   -0.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542   -1.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792    1.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792    2.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792    3.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5083   -2.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667    2.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    2.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667    3.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    3.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5083   -1.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792    4.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2208   -2.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2208   -1.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  6  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  2  0  0  0  0
  7 12  1  0  0  0  0
  8  1  2  0  0  0  0
  9  7  1  0  0  0  0
 10  7  2  0  0  0  0
 11  5  1  0  0  0  0
 12 11  1  0  0  0  0
 13  9  1  0  0  0  0
 14 13  1  0  0  0  0
 15 20  2  0  0  0  0
 16  4  1  0  0  0  0
 17 14  1  0  0  0  0
 18 14  2  0  0  0  0
 19 17  2  0  0  0  0
 20 18  1  0  0  0  0
 21  6  1  0  0  0  0
 22 15  1  0  0  0  0
 23 16  2  0  0  0  0
 24 23  1  0  0  0  0
  3  5  2  0  0  0  0
 24 21  2  0  0  0  0
 19 15  1  0  0  0  0
M  END
>  <Mol_ID> (4,529)
4529

>  <Formula> (4,529)
C19H19N3O2

>  <MolWeight> (4,529)
321.37306

>  <COMPOUND_NAME> (4,529)
WAY-630921

>  <BAR_CODE_NO> (4,529)
90465270

$$$$
WAY-630946
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -0.7250    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7250   -0.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083   -0.7375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7250    2.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083    1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083    0.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042   -1.9750    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.4375    0.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083   -1.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042    2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4375    1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042   -2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917    2.9708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4375   -0.7375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542    1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083   -3.2125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    3.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042    2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042   -0.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167   -3.2125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167   -1.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1500    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167   -0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1500    2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167   -4.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8708    0.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292   -4.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8708    1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4 11  2  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  7  9  1  0  0  0  0
  8  1  2  0  0  0  0
  9  3  1  0  0  0  0
 10  5  1  0  0  0  0
 11  8  1  0  0  0  0
 12  7  1  0  0  0  0
 13 10  1  0  0  0  0
 14  2  2  0  0  0  0
 15 10  2  0  0  0  0
 16 12  2  0  0  0  0
 17 13  1  0  0  0  0
 18 15  1  0  0  0  0
 19  3  1  0  0  0  0
 20 12  1  0  0  0  0
 21 23  1  0  0  0  0
 22  8  1  0  0  0  0
 23 19  1  0  0  0  0
 24 11  1  0  0  0  0
 25 20  1  0  0  0  0
 26 22  2  0  0  0  0
 27 25  1  0  0  0  0
 28 26  1  0  0  0  0
  4  5  1  0  0  0  0
 28 24  2  0  0  0  0
 17 18  2  0  0  0  0
 21  7  1  0  0  0  0
M  END
>  <Mol_ID> (4,530)
4530

>  <Formula> (4,530)
C22H22N2O4

>  <MolWeight> (4,530)
378.42108

>  <COMPOUND_NAME> (4,530)
WAY-630946

>  <BAR_CODE_NO> (4,530)
90465295

$$$$
WAY-630997
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.2917    0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4250    1.3333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4250    2.1583    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.2917    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1375    2.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2917   -1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042    1.3333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8583    2.1583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4250   -0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042   -0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042   -1.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4250   -1.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2917   -2.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1375    3.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2917    2.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4250   -2.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042   -2.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4250    3.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2917    3.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042   -3.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4250   -3.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2917   -4.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6 11  2  0  0  0  0
  7  1  2  0  0  0  0
  8  5  2  0  0  0  0
  9  4  1  0  0  0  0
 10  4  2  0  0  0  0
 11 10  1  0  0  0  0
 12  9  2  0  0  0  0
 13  6  1  0  0  0  0
 14  5  1  0  0  0  0
 15  3  1  0  0  0  0
 16 13  1  0  0  0  0
 17 13  2  0  0  0  0
 18 19  1  0  0  0  0
 19 15  1  0  0  0  0
 20 17  1  0  0  0  0
 21 16  2  0  0  0  0
 22 20  2  0  0  0  0
  6 12  1  0  0  0  0
 18 14  1  0  0  0  0
 22 21  1  0  0  0  0
M  END
>  <Mol_ID> (4,531)
4531

>  <Formula> (4,531)
C19H18O3

>  <MolWeight> (4,531)
294.34442

>  <COMPOUND_NAME> (4,531)
WAY-630997

>  <BAR_CODE_NO> (4,531)
90465348

$$$$
WAY-630998
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -1.3750   -0.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6625   -0.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0958   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3083   -0.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5208   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7958    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8083   -0.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3083    0.6833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667    0.4333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5208    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3750   -1.6292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6625    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542   -0.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0958    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9042    0.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8083    0.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542    0.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792    0.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6250    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3375    0.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6250   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3375   -0.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0542    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0542   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5  7  1  0  0  0  0
  6  4  2  0  0  0  0
  7  3  2  0  0  0  0
  8 10  1  0  0  0  0
  9 18  1  0  0  0  0
 10 17  1  0  0  0  0
 11  1  2  0  0  0  0
 12 20  1  0  0  0  0
 13  2  1  0  0  0  0
 14  2  1  0  0  0  0
 15  3  1  0  0  0  0
 16 12  2  0  0  0  0
 17 15  2  0  0  0  0
 18 14  1  0  0  0  0
 19 13  1  0  0  0  0
 20  9  1  0  0  0  0
 21 16  1  0  0  0  0
 22 21  2  0  0  0  0
 23 21  1  0  0  0  0
 24 23  2  0  0  0  0
 25 22  1  0  0  0  0
 26 24  1  0  0  0  0
  9 19  1  0  0  0  0
 10  5  2  0  0  0  0
  6  8  1  0  0  0  0
 26 25  2  0  0  0  0
M  END
>  <Mol_ID> (4,532)
4532

>  <Formula> (4,532)
C21H22N4O

>  <MolWeight> (4,532)
346.42558

>  <COMPOUND_NAME> (4,532)
WAY-630998

>  <BAR_CODE_NO> (4,532)
90465349

$$$$
WAY-630999
csChFnd80/06171916322D

 23 26  0  0  0  0  0  0  0  0999 V2000
    5.0000    8.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    7.3907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7144    6.9783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4289    7.3907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4289    8.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7144    8.6282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2135    7.1357    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.6984    7.8032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2135    8.4706    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5234    7.8032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2379    7.3907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9524    7.8032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9524    8.6282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6669    7.3907    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8805    6.5938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6774    6.3804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2607    6.9636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0472    7.7605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2503    7.9740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2970    6.0104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5105    5.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3075    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8909    5.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
  9  5  1  0  0  0  0
 10  8  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 12  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 19 14  1  0  0  0  0
 20 15  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 23 16  1  0  0  0  0
M  END
>  <Mol_ID> (4,533)
4533

>  <Formula> (4,533)
C19H18N2OS

>  <MolWeight> (4,533)
322.42402

>  <COMPOUND_NAME> (4,533)
WAY-630999

>  <BAR_CODE_NO> (4,533)
90465350

$$$$
WAY-631008
csChFnd80/06171916322D

 22 23  0  0  0  0  0  0  0  0999 V2000
    0.0125    1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4708    2.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0125    2.9583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000    1.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000    2.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542   -1.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042   -1.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583   -2.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458    0.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542   -0.5542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7083   -2.9125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3125    0.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0500    0.6708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083   -1.5125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458    3.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2958    2.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4667    3.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042   -2.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1583   -3.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8125   -1.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6500   -3.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  7  1  0  0  0  0
  7 10  1  0  0  0  0
  8  6  2  0  0  0  0
  9  1  1  0  0  0  0
 10 12  1  0  0  0  0
 11  8  1  0  0  0  0
 12  9  1  0  0  0  0
 13  7  2  0  0  0  0
 14  9  2  0  0  0  0
 15  8  1  0  0  0  0
 16  3  1  0  0  0  0
 17  2  1  0  0  0  0
 18  5  1  0  0  0  0
 19  6  1  0  0  0  0
 20 22  1  0  0  0  0
 21 15  1  0  0  0  0
 22 19  2  0  0  0  0
  3  5  1  0  0  0  0
 20 11  2  0  0  0  0
M  END
>  <Mol_ID> (4,534)
4534

>  <Formula> (4,534)
C16H18N2O3S

>  <MolWeight> (4,534)
318.39072

>  <COMPOUND_NAME> (4,534)
WAY-631008

>  <BAR_CODE_NO> (4,534)
90465359

$$$$
WAY-631011
csChFnd80/06171916322D

 23 26  0  0  0  0  0  0  0  0999 V2000
   -1.7083   -0.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4875   -1.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7083    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9750   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4875    0.2750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208    0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208   -1.0625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3917   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8042    0.3208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6292    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7583   -0.1375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0417    1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0417   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9750    0.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7583    0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8667    1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8667   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8042   -1.1042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2792    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6292   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6292    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1042    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  3  1  0  0  0  0
  7  8  1  0  0  0  0
  8  1  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12  4  1  0  0  0  0
 13 11  1  0  0  0  0
 14 11  2  0  0  0  0
 15  5  1  0  0  0  0
 16 15  2  0  0  0  0
 17 13  2  0  0  0  0
 18 14  1  0  0  0  0
 19  9  2  0  0  0  0
 20 18  2  0  0  0  0
 21 14  1  0  0  0  0
 22 13  1  0  0  0  0
 23 20  1  0  0  0  0
  6  7  2  0  0  0  0
  5  4  1  0  0  0  0
 16 12  1  0  0  0  0
 17 20  1  0  0  0  0
M  END
>  <Mol_ID> (4,535)
4535

>  <Formula> (4,535)
C17H15N3OS2

>  <MolWeight> (4,535)
341.4505

>  <COMPOUND_NAME> (4,535)
WAY-631011

>  <BAR_CODE_NO> (4,535)
90465362

$$$$
WAY-631045
csChFnd80/06171916322D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -1.3845    0.3533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3845    1.5533    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3569   -0.2501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4259   -0.2501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0431    1.6878    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3879    2.7533    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5845    1.5637    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3535   -1.4536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4259   -1.4536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0879    1.0878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0431    2.8878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3845   -2.0536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1293    1.6878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0879   -0.1122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3879   -3.2536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1707    1.0878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1293   -0.7156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9983   -4.2915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1707   -0.1122    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2121   -0.7156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  8 12  2  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
  9 12  1  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (4,536)
4536

>  <Formula> (4,536)
C14H22N2O3S

>  <MolWeight> (4,536)
298.40108

>  <COMPOUND_NAME> (4,536)
WAY-631045

>  <BAR_CODE_NO> (4,536)
90465396

$$$$
WAY-631127
csChFnd80/06171916322D

 31 35  0  0  0  0  0  0  0  0999 V2000
    1.1917   -0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792   -0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792   -1.3042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9500   -0.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333   -0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0875   -1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1917    1.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8083   -0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9500   -0.0750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8083    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5958   -0.3292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5958    1.0083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0833    0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333   -1.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0958   -0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9042    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0958    1.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3833   -0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6625   -0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4917    0.0375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.3833    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -2.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3250   -0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1917    1.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6250    1.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7375   -1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3250   -2.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9042    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6250    1.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  2  2  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  1  0  0  0  0
  9  5  1  0  0  0  0
 10 17  1  0  0  0  0
 11  6  1  0  0  0  0
 12 19  1  0  0  0  0
 13 10  1  0  0  0  0
 14 12  1  0  0  0  0
 15 13  1  0  0  0  0
 16  6  2  0  0  0  0
 17 20  2  0  0  0  0
 18  9  2  0  0  0  0
 19 23  2  0  0  0  0
 20 21  1  0  0  0  0
 21 11  1  0  0  0  0
 22 18  1  0  0  0  0
 23 20  1  0  0  0  0
 24  7  1  0  0  0  0
 25  8  1  0  0  0  0
 26  9  1  0  0  0  0
 27 18  1  0  0  0  0
 28 25  2  0  0  0  0
 29 24  2  0  0  0  0
 30 26  2  0  0  0  0
 31 30  1  0  0  0  0
  8  7  2  0  0  0  0
 28 29  1  0  0  0  0
 31 27  2  0  0  0  0
 12 10  2  0  0  0  0
 15 14  1  0  0  0  0
M  END
>  <Mol_ID> (4,537)
4537

>  <Formula> (4,537)
C24H18ClN3O3

>  <MolWeight> (4,537)
431.87102

>  <COMPOUND_NAME> (4,537)
WAY-631127

>  <BAR_CODE_NO> (4,537)
90465478

$$$$
WAY-631161
csChFnd80/06171916322D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -0.3500   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292    0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167   -0.0875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292   -1.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167   -0.9125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208    0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333    2.5208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208   -1.9542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1750    2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833    1.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292    1.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9333    1.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292   -2.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1750   -3.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  2  1  0  0  0  0
  7 10  2  0  0  0  0
  8  4  1  0  0  0  0
  9 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11  6  1  0  0  0  0
 12  6  2  0  0  0  0
 13  8  1  0  0  0  0
 14 13  1  0  0  0  0
  3  5  1  0  0  0  0
  7  9  1  0  0  0  0
M  END
>  <Mol_ID> (4,538)
4538

>  <Formula> (4,538)
C9H10N4S

>  <MolWeight> (4,538)
206.2675

>  <COMPOUND_NAME> (4,538)
WAY-631161

>  <BAR_CODE_NO> (4,538)
90465513

$$$$
WAY-631195
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
    0.0792   -0.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -0.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000    0.7958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792    1.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333    0.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333   -1.6792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5125    1.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792    2.0333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.6792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0583   -2.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458   -0.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458    1.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333   -2.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458   -2.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0583   -1.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2250    0.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5125    2.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0583    0.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0583   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2250    2.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9417    1.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9417    2.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  7  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  2  0  0  0  0
  8  5  1  0  0  0  0
  9  3  1  0  0  0  0
 10  4  2  0  0  0  0
 11  5  2  0  0  0  0
 12 17  1  0  0  0  0
 13  6  1  0  0  0  0
 14  7  1  0  0  0  0
 15  8  1  0  0  0  0
 16  8  1  0  0  0  0
 17 16  1  0  0  0  0
 18 15  1  0  0  0  0
 19  9  1  0  0  0  0
 20  9  2  0  0  0  0
 21 22  1  0  0  0  0
 22 13  2  0  0  0  0
 23 20  1  0  0  0  0
 24 19  2  0  0  0  0
 25 23  2  0  0  0  0
  4  3  1  0  0  0  0
 21 14  2  0  0  0  0
 12 18  1  0  0  0  0
 25 24  1  0  0  0  0
M  END
>  <Mol_ID> (4,539)
4539

>  <Formula> (4,539)
C19H17N3O3

>  <MolWeight> (4,539)
335.35658

>  <COMPOUND_NAME> (4,539)
WAY-631195

>  <BAR_CODE_NO> (4,539)
90465548

$$$$
WAY-631252
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.2542   -0.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5708   -0.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7417    0.0708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0500   -1.2625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5292   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0500    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5292   -1.0042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7417   -1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917    0.3083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6917    2.4333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5500   -1.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5500    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1042    1.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7750    1.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3542    2.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2708   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2708   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  2  0  0  0  0
  6  2  2  0  0  0  0
  7  8  1  0  0  0  0
  8  1  2  0  0  0  0
  9  4  1  0  0  0  0
 10  6  1  0  0  0  0
 11  5  1  0  0  0  0
 12 16  1  0  0  0  0
 13  9  1  0  0  0  0
 14 10  1  0  0  0  0
 15 11  1  0  0  0  0
 16 15  1  0  0  0  0
 17 12  1  0  0  0  0
 18 13  2  0  0  0  0
 19 14  2  0  0  0  0
  7  5  1  0  0  0  0
  9 10  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (4,540)
4540

>  <Formula> (4,540)
C14H14N2O2S

>  <MolWeight> (4,540)
274.33816

>  <COMPOUND_NAME> (4,540)
WAY-631252

>  <BAR_CODE_NO> (4,540)
90465606

$$$$
WAY-631256
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
    1.0167   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5042   -0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5042    0.6375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2917   -0.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2833   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2917    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5208    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6958   -0.7417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5208   -0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6958    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9333   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208    0.6833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4583   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2833    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0458    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0042   -0.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208   -0.7417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9333   -1.4542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0042    0.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4583    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7167   -0.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2500   -1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7167    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9333    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4292   -0.8542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1500   -0.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6 14  1  0  0  0  0
  7  3  1  0  0  0  0
  8 11  1  0  0  0  0
  9  6  1  0  0  0  0
 10  9  1  0  0  0  0
 11 15  1  0  0  0  0
 12  8  2  0  0  0  0
 13  4  1  0  0  0  0
 14 16  2  0  0  0  0
 15 21  2  0  0  0  0
 16 13  1  0  0  0  0
 17  5  1  0  0  0  0
 18  4  2  0  0  0  0
 19 10  2  0  0  0  0
 20  7  1  0  0  0  0
 21 16  1  0  0  0  0
 22 17  2  0  0  0  0
 23  2  1  0  0  0  0
 24 20  2  0  0  0  0
 25  8  1  0  0  0  0
 26 22  1  0  0  0  0
 27 26  1  0  0  0  0
  5  7  2  0  0  0  0
 24 22  1  0  0  0  0
 11  6  2  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <Mol_ID> (4,541)
4541

>  <Formula> (4,541)
C21H17NO5

>  <MolWeight> (4,541)
363.36338

>  <COMPOUND_NAME> (4,541)
WAY-631256

>  <BAR_CODE_NO> (4,541)
90465610

$$$$
WAY-631262
csChFnd80/06171916322D

 21 24  0  0  0  0  0  0  0  0999 V2000
   -0.1208   -0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458   -0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667   -0.0792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1500   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333   -1.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333   -0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1500   -1.1542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667   -1.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2125   -1.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2125   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8167    0.1583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    2.2833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292    0.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    1.4583    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.9250   -1.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9250    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1792    2.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1792    1.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6667    1.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6458   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6458   -1.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  2  1  0  0  0  0
  6  2  2  0  0  0  0
  7  8  1  0  0  0  0
  8  1  2  0  0  0  0
  9  5  1  0  0  0  0
 10  6  1  0  0  0  0
 11  4  1  0  0  0  0
 12 14  1  0  0  0  0
 13 11  1  0  0  0  0
 14 13  1  0  0  0  0
 15  9  1  0  0  0  0
 16 10  1  0  0  0  0
 17 12  1  0  0  0  0
 18 14  1  0  0  0  0
 19 18  1  0  0  0  0
 20 16  2  0  0  0  0
 21 15  2  0  0  0  0
  7  4  1  0  0  0  0
  9 10  2  0  0  0  0
 21 20  1  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (4,542)
4542

>  <Formula> (4,542)
C16H16N2O2S

>  <MolWeight> (4,542)
300.37544

>  <COMPOUND_NAME> (4,542)
WAY-631262

>  <BAR_CODE_NO> (4,542)
90465616

$$$$
WAY-631268
csChFnd80/06171916322D

 28 30  0  0  0  0  0  0  0  0999 V2000
   -0.2833    1.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833    0.5208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292    1.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8625    2.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958    1.7583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833   -1.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417    1.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292    2.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417    2.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8625    1.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958    0.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5750    2.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7125   -1.1292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4250   -4.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4250   -3.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4250   -5.6667    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.7125   -4.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1458   -4.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1458   -3.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7125   -3.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7125   -1.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4250   -2.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2917    2.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5750    3.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2917    4.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0042    2.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0042    3.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3 12  1  0  0  0  0
  4  1  1  0  0  0  0
  5 10  2  0  0  0  0
  6  1  2  0  0  0  0
  7  3  2  0  0  0  0
  8  4  1  0  0  0  0
  9  4  2  0  0  0  0
 10  9  1  0  0  0  0
 11  8  2  0  0  0  0
 12  2  1  0  0  0  0
 13  5  1  0  0  0  0
 14  3  1  0  0  0  0
 15 18  1  0  0  0  0
 16 23  1  0  0  0  0
 17 15  1  0  0  0  0
 18 21  2  0  0  0  0
 19 20  1  0  0  0  0
 20 16  2  0  0  0  0
 21 16  1  0  0  0  0
 22 14  1  0  0  0  0
 23 22  1  0  0  0  0
 24 13  1  0  0  0  0
 25 13  2  0  0  0  0
 26 25  1  0  0  0  0
 27 24  2  0  0  0  0
 28 26  2  0  0  0  0
  5 11  1  0  0  0  0
 28 27  1  0  0  0  0
 15 19  2  0  0  0  0
M  END
>  <Mol_ID> (4,543)
4543

>  <Formula> (4,543)
C23H21ClN2O2

>  <MolWeight> (4,543)
392.87804

>  <COMPOUND_NAME> (4,543)
WAY-631268

>  <BAR_CODE_NO> (4,543)
90465624

$$$$
WAY-631295
csChFnd80/06171916322D

 33 37  0  0  0  0  0  0  0  0999 V2000
    1.8417    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2875   -0.0167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4292    1.3125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6167    1.1375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6625    0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833   -0.0917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7583    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3250    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0375   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6083   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7583    1.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9917   -0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4708   -0.0917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8958    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4708    1.5583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3250    1.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6083   -0.9167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0375    1.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1417    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042   -0.9125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1833    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1833    1.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417   -1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2417   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8167   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8417   -1.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9667    1.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0167   -2.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4167   -1.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3000    0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042   -2.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10  2  1  0  0  0  0
 11  9  2  0  0  0  0
 12 16  1  0  0  0  0
 13 20  1  0  0  0  0
 14  6  2  0  0  0  0
 15  8  1  0  0  0  0
 16  7  1  0  0  0  0
 17 13  1  0  0  0  0
 18  9  1  0  0  0  0
 19 12  2  0  0  0  0
 20 18  2  0  0  0  0
 21  6  1  0  0  0  0
 22 14  1  0  0  0  0
 23 15  1  0  0  0  0
 24 17  1  0  0  0  0
 25 10  1  0  0  0  0
 26 10  2  0  0  0  0
 27 14  1  0  0  0  0
 28 22  1  0  0  0  0
 29 21  2  0  0  0  0
 30 25  2  0  0  0  0
 31 26  1  0  0  0  0
 32 29  1  0  0  0  0
 33 31  2  0  0  0  0
  4  5  2  0  0  0  0
 32 27  2  0  0  0  0
 33 30  1  0  0  0  0
 13  8  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (4,544)
4544

>  <Formula> (4,544)
C25H21N3O4S

>  <MolWeight> (4,544)
459.51694

>  <COMPOUND_NAME> (4,544)
WAY-631295

>  <BAR_CODE_NO> (4,544)
90465651

$$$$
WAY-631324
csChFnd80/06171916322D

 24 28  0  0  0  0  0  0  0  0999 V2000
   -0.9708    0.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7500    0.2750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708    1.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2583    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7500    1.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2375    0.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4625    0.5333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2583   -0.7042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2583    1.7708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8917   -1.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1750   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4625    1.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8917   -1.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4625   -1.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6042   -0.7042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6042   -2.3542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1750   -2.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4625   -1.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0875    2.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0583    1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3167   -1.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3167   -1.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9083    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3958    1.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8  4  1  0  0  0  0
  9  3  2  0  0  0  0
 10 11  1  0  0  0  0
 11 14  2  0  0  0  0
 12  7  2  0  0  0  0
 13 17  1  0  0  0  0
 14  8  1  0  0  0  0
 15 10  1  0  0  0  0
 16 13  1  0  0  0  0
 17 18  2  0  0  0  0
 18 14  1  0  0  0  0
 19  5  1  0  0  0  0
 20  6  1  0  0  0  0
 21 15  1  0  0  0  0
 22 16  1  0  0  0  0
 23 19  2  0  0  0  0
 24 20  2  0  0  0  0
  6  5  2  0  0  0  0
 12  9  1  0  0  0  0
 24 23  1  0  0  0  0
 13 10  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (4,545)
4545

>  <Formula> (4,545)
C18H13N3O3

>  <MolWeight> (4,545)
319.31412

>  <COMPOUND_NAME> (4,545)
WAY-631324

>  <BAR_CODE_NO> (4,545)
90465682

$$$$
WAY-631335
csChFnd80/06171916322D

 20 23  0  0  0  0  0  0  0  0999 V2000
   -0.9708    0.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833    1.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333   -0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708    1.7458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3417    0.9875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7500    0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917   -0.4292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7500    1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6750    0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8292   -0.6042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4917    0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208   -1.0125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.5042   -2.1125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5333    0.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5333    1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3417   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6500   -0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0208    1.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6792   -2.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9875   -1.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  2  2  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  6  2  0  0  0  0
  9  7  2  0  0  0  0
 10 11  1  0  0  0  0
 11  9  1  0  0  0  0
 12  3  1  0  0  0  0
 13 20  1  0  0  0  0
 14  6  1  0  0  0  0
 15  8  1  0  0  0  0
 16 10  1  0  0  0  0
 17 10  1  0  0  0  0
 18 14  1  0  0  0  0
 19 16  1  0  0  0  0
 20 17  1  0  0  0  0
  8  4  1  0  0  0  0
 18 15  1  0  0  0  0
  9  5  1  0  0  0  0
 13 19  1  0  0  0  0
M  END
>  <Mol_ID> (4,546)
4546

>  <Formula> (4,546)
C14H16ClN3OS

>  <MolWeight> (4,546)
309.81434

>  <COMPOUND_NAME> (4,546)
WAY-631335

>  <BAR_CODE_NO> (4,546)
90465694

$$$$
WAY-631350
csChFnd80/06171916322D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -0.5958   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4208   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1083    0.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792   -0.0542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083    0.2083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083   -1.1292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1083   -1.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6875   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6875   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3417    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3417   -1.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3625    0.9875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7667    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4000    0.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4000   -1.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6792    1.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5167    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1208   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1208   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3417    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1000    1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  2  2  0  0  0  0
  6  8  1  0  0  0  0
  7  2  1  0  0  0  0
  8  1  1  0  0  0  0
  9  5  1  0  0  0  0
 10  7  1  0  0  0  0
 11  4  1  0  0  0  0
 12  6  2  0  0  0  0
 13  3  1  0  0  0  0
 14 11  1  0  0  0  0
 15 14  1  0  0  0  0
 16  9  1  0  0  0  0
 17 10  1  0  0  0  0
 18 15  2  0  0  0  0
 19 15  1  0  0  0  0
 20 17  2  0  0  0  0
 21 16  2  0  0  0  0
 22 19  2  0  0  0  0
 23 18  1  0  0  0  0
 24 22  1  0  0  0  0
  4  6  1  0  0  0  0
 10  9  2  0  0  0  0
 20 21  1  0  0  0  0
 24 23  2  0  0  0  0
M  END
>  <Mol_ID> (4,547)
4547

>  <Formula> (4,547)
C19H17N3OS

>  <MolWeight> (4,547)
335.42278

>  <COMPOUND_NAME> (4,547)
WAY-631350

>  <BAR_CODE_NO> (4,547)
90465709

$$$$
WAY-631360
csChFnd80/06171916322D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -0.3583    0.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292    1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9125    1.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9125    0.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1250    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1250   -0.8042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667   -2.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7167   -2.8125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1875    3.0583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6375   -2.3667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4250   -1.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833    0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9333    2.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4250    2.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667   -3.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6375    3.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0167   -4.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3375   -3.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8 12  1  0  0  0  0
  9  8  1  0  0  0  0
 10 14  1  0  0  0  0
 11  8  2  0  0  0  0
 12  7  1  0  0  0  0
 13  1  1  0  0  0  0
 14  6  2  0  0  0  0
 15  6  1  0  0  0  0
 16  9  1  0  0  0  0
 17 18  1  0  0  0  0
 18 15  2  0  0  0  0
 19 16  1  0  0  0  0
 20 16  1  0  0  0  0
  3  5  1  0  0  0  0
 17 10  2  0  0  0  0
M  END
>  <Mol_ID> (4,548)
4548

>  <Formula> (4,548)
C13H17N5OS

>  <MolWeight> (4,548)
291.37198

>  <COMPOUND_NAME> (4,548)
WAY-631360

>  <BAR_CODE_NO> (4,548)
90465719

$$$$
WAY-631363
csChFnd80/06171916322D

 22 25  0  0  0  0  0  0  0  0999 V2000
    1.2795    0.7859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0619    0.0204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6588    0.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4968    2.3066    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3964    0.7859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0619   -1.5313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7209    1.2273    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0071    2.5618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7205    0.0204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3964   -2.2831    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2795   -2.3072    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2657    1.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8209    3.8652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7205   -1.5313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0412    0.7859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0795    2.4618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3726    3.7963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0412   -2.2831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3895    0.0204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3895   -1.5313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0412   -3.8348    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7205   -4.6037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  2  0  0  0  0
 12 16  2  0  0  0  0
 13 17  2  0  0  0  0
 14 18  2  0  0  0  0
 15 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
  7  8  1  0  0  0  0
 10 14  1  0  0  0  0
 16 17  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (4,549)
4549

>  <Formula> (4,549)
C17H12N2O3

>  <MolWeight> (4,549)
292.28878

>  <COMPOUND_NAME> (4,549)
WAY-631363

>  <BAR_CODE_NO> (4,549)
90465722

$$$$
WAY-631454
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    0.9292   -1.2667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417   -0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1500   -0.7292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7375   -1.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292   -0.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000   -0.1167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292    0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833    1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0125    1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000    0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0125    2.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417    1.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7333    0.7875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7333    2.4375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833    2.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000    2.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667   -2.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4458    1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4458    2.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5875   -2.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8917   -2.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9250   -3.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2292   -3.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  2  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  2  2  0  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
  9 10  1  0  0  0  0
 10  8  2  0  0  0  0
 11 16  1  0  0  0  0
 12  7  2  0  0  0  0
 13  9  1  0  0  0  0
 14 11  1  0  0  0  0
 15  8  1  0  0  0  0
 16 15  2  0  0  0  0
 17  4  1  0  0  0  0
 18 13  1  0  0  0  0
 19 14  1  0  0  0  0
 20 17  1  0  0  0  0
 21 17  1  0  0  0  0
 22 20  1  0  0  0  0
 23 21  1  0  0  0  0
  6  3  1  0  0  0  0
 11  9  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (4,550)
4550

>  <Formula> (4,550)
C16H19N3O3S

>  <MolWeight> (4,550)
333.40536

>  <COMPOUND_NAME> (4,550)
WAY-631454

>  <BAR_CODE_NO> (4,550)
90465815

$$$$
WAY-631460
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    0.0417    0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458    0.1458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2125    1.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417   -0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.5583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -0.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3375    2.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792    2.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2125   -1.3042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7250    3.1708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417    2.0375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3375   -1.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4250   -4.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792   -2.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6833   -5.0542    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792   -4.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9833   -3.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7250   -2.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6375   -3.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9833    3.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6375    3.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4250    4.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792    4.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  2  0  0  0  0
  6  5  1  0  0  0  0
  7  3  1  0  0  0  0
  8  7  1  0  0  0  0
  9  4  1  0  0  0  0
 10  8  2  0  0  0  0
 11  7  2  0  0  0  0
 12  9  1  0  0  0  0
 13 16  1  0  0  0  0
 14 12  1  0  0  0  0
 15 13  1  0  0  0  0
 16 19  2  0  0  0  0
 17 18  1  0  0  0  0
 18 14  2  0  0  0  0
 19 14  1  0  0  0  0
 20 10  1  0  0  0  0
 21  8  1  0  0  0  0
 22 23  1  0  0  0  0
 23 21  2  0  0  0  0
  6  4  2  0  0  0  0
 22 20  2  0  0  0  0
 13 17  2  0  0  0  0
M  END
>  <Mol_ID> (4,551)
4551

>  <Formula> (4,551)
C15H11FN4OS2

>  <MolWeight> (4,551)
346.4024432

>  <COMPOUND_NAME> (4,551)
WAY-631460

>  <BAR_CODE_NO> (4,551)
90465822

$$$$
WAY-631466
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -3.4583   -0.6417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7458   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1750   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4583    1.0083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0333   -0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7458    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083   -0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5417   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8958   -0.6417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -0.6417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1750    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1125   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5417    0.5958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0333    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083   -1.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542   -0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9667   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4000    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1125    1.0083    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6792    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4000   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6792   -0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9667    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4 13  1  0  0  0  0
  5  2  1  0  0  0  0
  6  5  2  0  0  0  0
  7  2  2  0  0  0  0
  8  6  1  0  0  0  0
  9 12  1  0  0  0  0
 10  3  2  0  0  0  0
 11 16  2  0  0  0  0
 12 14  1  0  0  0  0
 13  3  1  0  0  0  0
 14  8  1  0  0  0  0
 15  9  2  0  0  0  0
 16  7  1  0  0  0  0
 17  8  2  0  0  0  0
 18  9  1  0  0  0  0
 19 18  1  0  0  0  0
 20 22  1  0  0  0  0
 21 20  1  0  0  0  0
 22 25  2  0  0  0  0
 23 24  1  0  0  0  0
 24 19  2  0  0  0  0
 25 19  1  0  0  0  0
  4  7  1  0  0  0  0
 11  6  1  0  0  0  0
 20 23  2  0  0  0  0
M  END
>  <Mol_ID> (4,552)
4552

>  <Formula> (4,552)
C18H14ClNO5

>  <MolWeight> (4,552)
359.76046

>  <COMPOUND_NAME> (4,552)
WAY-631466

>  <BAR_CODE_NO> (4,552)
90465828

$$$$
WAY-631509
csChFnd80/06171916322D

 27 31  0  0  0  0  0  0  0  0999 V2000
   -0.1583   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792   -2.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8750    2.0208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8750    0.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708   -1.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8750    2.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8958   -0.4542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2375   -3.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667   -2.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6625   -1.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958    3.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792   -0.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1625    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958    0.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1625    0.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292   -2.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9750   -2.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0542   -2.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000   -2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0500   -2.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1625    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958    4.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1625    4.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8750    4.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3 14  1  0  0  0  0
  4  7  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8 17  1  0  0  0  0
  9 19  1  0  0  0  0
 10 18  1  0  0  0  0
 11  6  2  0  0  0  0
 12  1  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15  4  1  0  0  0  0
 16  4  1  0  0  0  0
 17  2  1  0  0  0  0
 18  2  1  0  0  0  0
 19  2  1  0  0  0  0
 20 10  1  0  0  0  0
 21  9  1  0  0  0  0
 22  9  1  0  0  0  0
 23  6  1  0  0  0  0
 24 11  1  0  0  0  0
 25  7  1  0  0  0  0
 26 23  2  0  0  0  0
 27 26  1  0  0  0  0
  3 13  1  0  0  0  0
 22  8  1  0  0  0  0
 10 21  1  0  0  0  0
 20  8  1  0  0  0  0
 27 24  2  0  0  0  0
M  END
>  <Mol_ID> (4,553)
4553

>  <Formula> (4,553)
C22H32N4O

>  <MolWeight> (4,553)
368.51568

>  <COMPOUND_NAME> (4,553)
WAY-631509

>  <BAR_CODE_NO> (4,553)
90465873

$$$$
WAY-631545
csChFnd80/06171916322D

 17 19  0  0  0  0  0  0  0  0999 V2000
    0.4207   -0.1046    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0627    0.2764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333    0.2644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333    1.0204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0627    1.0264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7107   -0.0956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3647    0.2764    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7107    1.3954    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8753   -0.1136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3647    1.0264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5233    0.2524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8693   -0.8546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7107   -0.8726    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.1683   -0.8756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1713   -0.1196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5203   -1.2476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8133   -1.2536    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  2  2  0  0  0  0
  6  2  1  0  0  0  0
  6  7  2  0  0  0  0
  8  5  1  0  0  0  0
  9  3  1  0  0  0  0
 10  8  2  0  0  0  0
 11  9  1  0  0  0  0
 12  9  2  0  0  0  0
 13  6  1  0  0  0  0
 14 16  2  0  0  0  0
 11 15  2  0  0  0  0
 16 12  1  0  0  0  0
 17 14  1  0  0  0  0
  5  4  1  0  0  0  0
 10  7  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (4,554)
4554

>  <Formula> (4,554)
C12H6ClFN2S

>  <MolWeight> (4,554)
264.7058432

>  <COMPOUND_NAME> (4,554)
WAY-631545

>  <BAR_CODE_NO> (4,554)
90465910

$$$$
WAY-631625
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -0.0333    0.6208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208   -0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542    0.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458   -0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542   -0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8250   -0.7167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6125   -0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8250    0.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6125    0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2875   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167    0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667   -2.1125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2833   -0.9417    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0125   -2.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1750    0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292    1.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042    2.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8417    0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7542    1.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
  9  5  2  0  0  0  0
 10  9  1  0  0  0  0
 11  3  1  0  0  0  0
 12  4  1  0  0  0  0
 13 11  2  0  0  0  0
 14  8  1  0  0  0  0
 15 13  1  0  0  0  0
 16 12  1  0  0  0  0
 17 12  2  0  0  0  0
 18 17  1  0  0  0  0
 19 16  2  0  0  0  0
 20 18  2  0  0  0  0
  6  3  2  0  0  0  0
  8 10  2  0  0  0  0
 20 19  1  0  0  0  0
M  END
>  <Mol_ID> (4,555)
4555

>  <Formula> (4,555)
C14H10ClN3OS

>  <MolWeight> (4,555)
303.7667

>  <COMPOUND_NAME> (4,555)
WAY-631625

>  <BAR_CODE_NO> (4,555)
90465994

$$$$
WAY-631650
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.6833   -0.3167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6833   -1.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292   -1.5542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0292   -2.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4000    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6833    2.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7417   -1.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6833    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292    2.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292    0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4000    0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6833   -2.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7417   -2.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292    3.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7417    2.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7417   -3.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6833   -3.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542    2.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7417    3.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542    3.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292   -4.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  9  1  0  0  0  0
  8  3  1  0  0  0  0
  9 11  1  0  0  0  0
 10  7  1  0  0  0  0
 11  6  1  0  0  0  0
 12  5  1  0  0  0  0
 13  4  1  0  0  0  0
 14  4  2  0  0  0  0
 15 10  2  0  0  0  0
 16 10  1  0  0  0  0
 17 14  1  0  0  0  0
 18 13  2  0  0  0  0
 19 16  2  0  0  0  0
 20 15  1  0  0  0  0
 21 19  1  0  0  0  0
 22 17  2  0  0  0  0
  9 12  1  0  0  0  0
 22 18  1  0  0  0  0
 21 20  2  0  0  0  0
M  END
>  <Mol_ID> (4,556)
4556

>  <Formula> (4,556)
C20H25NO

>  <MolWeight> (4,556)
295.4186

>  <COMPOUND_NAME> (4,556)
WAY-631650

>  <BAR_CODE_NO> (4,556)
90466019

$$$$
WAY-631668
csChFnd80/06171916322D

 33 37  0  0  0  0  0  0  0  0999 V2000
   -1.4583   -1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7375   -1.5250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7375   -2.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4583   -0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4583   -2.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708   -1.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708   -2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7375    0.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6917    0.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4042    1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4583   -3.5875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708    0.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7375    0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0250   -0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6917    0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0250    1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4042    2.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167    0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0250   -2.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8833   -1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8833   -2.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167    0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8292    1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6917    2.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167    2.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5958   -1.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5958   -2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167    3.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8292   -0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5500    0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6917    3.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4042    3.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5500    0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  7  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  2  0  0  0  0
  8  4  1  0  0  0  0
  9 15  1  0  0  0  0
 10  9  1  0  0  0  0
 11  5  2  0  0  0  0
 12  4  2  0  0  0  0
 13  8  1  0  0  0  0
 14  8  1  0  0  0  0
 15 14  1  0  0  0  0
 16 13  1  0  0  0  0
 17 10  1  0  0  0  0
 18 10  1  0  0  0  0
 19  3  1  0  0  0  0
 20  6  1  0  0  0  0
 21  7  1  0  0  0  0
 22 18  1  0  0  0  0
 23 18  2  0  0  0  0
 24 17  2  0  0  0  0
 25 17  1  0  0  0  0
 26 20  2  0  0  0  0
 27 26  1  0  0  0  0
 28 25  2  0  0  0  0
 29 22  2  0  0  0  0
 30 23  1  0  0  0  0
 31 24  1  0  0  0  0
 32 28  1  0  0  0  0
 33 30  2  0  0  0  0
  5  3  1  0  0  0  0
 27 21  2  0  0  0  0
  9 16  1  0  0  0  0
 33 29  1  0  0  0  0
 32 31  2  0  0  0  0
M  END
>  <Mol_ID> (4,557)
4557

>  <Formula> (4,557)
C27H26N4O2

>  <MolWeight> (4,557)
438.52094

>  <COMPOUND_NAME> (4,557)
WAY-631668

>  <BAR_CODE_NO> (4,557)
90466038

$$$$
WAY-631735
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    0.9292   -1.2667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417   -0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1500   -0.7292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7375   -1.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292   -0.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000   -0.1167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292    0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000    0.7875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833    1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0125    1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417    1.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833    2.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667   -2.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0125    2.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000    2.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7333    0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8917   -2.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5875   -2.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7333    2.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9250   -3.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2292   -3.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4458    1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4458    2.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  2  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  2  2  0  0  0  0
  7  5  1  0  0  0  0
  8  9  2  0  0  0  0
  9  7  1  0  0  0  0
 10  8  1  0  0  0  0
 11  7  2  0  0  0  0
 12  9  1  0  0  0  0
 13  4  1  0  0  0  0
 14 15  1  0  0  0  0
 15 12  2  0  0  0  0
 16 10  1  0  0  0  0
 17 13  1  0  0  0  0
 18 13  1  0  0  0  0
 19 14  1  0  0  0  0
 20 18  1  0  0  0  0
 21 17  1  0  0  0  0
 22 16  2  0  0  0  0
 23 19  2  0  0  0  0
  6  3  1  0  0  0  0
 14 10  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (4,558)
4558

>  <Formula> (4,558)
C17H18N4OS

>  <MolWeight> (4,558)
326.41602

>  <COMPOUND_NAME> (4,558)
WAY-631735

>  <BAR_CODE_NO> (4,558)
90466109

$$$$
WAY-631749
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.0625   -0.5667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6500   -0.9792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7917    0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667   -0.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7917   -0.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0792    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3500    0.1458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4750   -1.2875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4958   -0.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667    0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0792   -0.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2083   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2083    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4958    1.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5042    0.6708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0792    1.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5042   -0.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9208   -0.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9208    1.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6375   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6375    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  6  1  0  0  0  0
  5  2  1  0  0  0  0
  6 12  2  0  0  0  0
  7 11  1  0  0  0  0
  8  1  2  0  0  0  0
  9  1  2  0  0  0  0
 10  3  2  0  0  0  0
 11  5  2  0  0  0  0
 12  5  1  0  0  0  0
 13 10  1  0  0  0  0
 14  3  1  0  0  0  0
 15 16  1  0  0  0  0
 16 14  2  0  0  0  0
 17  4  1  0  0  0  0
 18  7  1  0  0  0  0
 19  6  1  0  0  0  0
 20 13  1  0  0  0  0
 21 15  1  0  0  0  0
 22 20  2  0  0  0  0
 23 21  2  0  0  0  0
 15 13  2  0  0  0  0
  4  7  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (4,559)
4559

>  <Formula> (4,559)
C18H17NO3S

>  <MolWeight> (4,559)
327.39748

>  <COMPOUND_NAME> (4,559)
WAY-631749

>  <BAR_CODE_NO> (4,559)
90466124

$$$$
WAY-631752
csChFnd80/06171916322D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -1.9138    2.0096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6483    2.7476    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1517    2.7372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9241    0.5786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6069    2.0096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3965    2.0303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1621   -0.1386    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5862    0.5786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8517    2.7165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4069    0.5889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8517   -0.1180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8828   -1.2593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1000    0.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1724   -1.9559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6483   -2.0386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2345   -3.4180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6897   -3.5007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9793   -4.1869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
  7 10  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (4,560)
4560

>  <Formula> (4,560)
C14H12N2O2

>  <MolWeight> (4,560)
240.25728

>  <COMPOUND_NAME> (4,560)
WAY-631752

>  <BAR_CODE_NO> (4,560)
90466127

$$$$
WAY-631784
csChFnd80/06171916322D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.3000   -0.6542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.0667   -1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792   -0.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792   -1.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958   -1.3167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3000    0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542   -0.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0125   -2.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208    1.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1708    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0125    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1333    0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0125    1.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3000    1.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1333    1.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458    1.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  2  0  0  0  0
  8  3  2  0  0  0  0
  9  4  2  0  0  0  0
 10  7  1  0  0  0  0
 11  1  1  0  0  0  0
 12  6  1  0  0  0  0
 13  7  1  0  0  0  0
 14 12  2  0  0  0  0
 15 14  1  0  0  0  0
 16 10  1  0  0  0  0
 17 13  2  0  0  0  0
 18 17  1  0  0  0  0
  2  4  1  0  0  0  0
 15 10  2  0  0  0  0
 18 16  2  0  0  0  0
M  END
>  <Mol_ID> (4,561)
4561

>  <Formula> (4,561)
C14H12N2O2

>  <MolWeight> (4,561)
240.25728

>  <COMPOUND_NAME> (4,561)
WAY-631784

>  <BAR_CODE_NO> (4,561)
90466160

$$$$
WAY-631794
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -0.2208    0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208    0.1375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9333    1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000   -0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6458    2.6125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9333    2.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000   -1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   -1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000    1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6458    0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   -2.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000    2.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3583    2.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208    2.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417   -2.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8792   -2.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3583    1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -3.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6250   -3.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  6  1  0  0  0  0
  6  3  1  0  0  0  0
  7  4  2  0  0  0  0
  8  4  1  0  0  0  0
  9  8  1  0  0  0  0
 10  1  1  0  0  0  0
 11  3  1  0  0  0  0
 12  9  1  0  0  0  0
 13 10  2  0  0  0  0
 14 18  1  0  0  0  0
 15 13  1  0  0  0  0
 16 12  1  0  0  0  0
 17 12  1  0  0  0  0
 18 11  2  0  0  0  0
 19 16  1  0  0  0  0
 20 17  1  0  0  0  0
 15  6  2  0  0  0  0
 14  5  2  0  0  0  0
 20 19  1  0  0  0  0
M  END
>  <Mol_ID> (4,562)
4562

>  <Formula> (4,562)
C17H20N2O

>  <MolWeight> (4,562)
268.3535

>  <COMPOUND_NAME> (4,562)
WAY-631794

>  <BAR_CODE_NO> (4,562)
90466170

$$$$
WAY-631796
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    2.0042   -0.9167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5250   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042    0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7917    0.1583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7917   -0.6667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542   -1.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833    1.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9417   -1.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   -0.2542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1875    0.4583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1875    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6917   -2.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3042   -2.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0500   -3.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9500    1.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2875    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833    2.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0125    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2417   -3.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1125   -2.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5375    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4250    2.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1875    3.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0125    3.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7 15  1  0  0  0  0
  8  6  1  0  0  0  0
  9  2  1  0  0  0  0
 10  7  2  0  0  0  0
 11  7  1  0  0  0  0
 12  8  2  0  0  0  0
 13  6  2  0  0  0  0
 14 13  1  0  0  0  0
 15 21  1  0  0  0  0
 16  9  1  0  0  0  0
 17 11  1  0  0  0  0
 18 11  2  0  0  0  0
 19 14  2  0  0  0  0
 20 12  1  0  0  0  0
 21 16  1  0  0  0  0
 22 18  1  0  0  0  0
 23 17  2  0  0  0  0
 24 22  2  0  0  0  0
  3  4  1  0  0  0  0
 19 12  1  0  0  0  0
 24 23  1  0  0  0  0
M  END
>  <Mol_ID> (4,563)
4563

>  <Formula> (4,563)
C18H18N4OS

>  <MolWeight> (4,563)
338.42672

>  <COMPOUND_NAME> (4,563)
WAY-631796

>  <BAR_CODE_NO> (4,563)
90466172

$$$$
WAY-631878
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.2458   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9625    0.2458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5375    0.0833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6750   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6750   -0.9917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9625   -1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5375   -1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0167   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9625    1.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3958    0.2458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9625   -2.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917   -2.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8417   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458    1.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542    0.1333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667    1.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458    2.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417   -2.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667    2.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1792    1.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1792    2.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  2  1  0  0  0  0
  8  2  1  0  0  0  0
  9  4  2  0  0  0  0
 10  3  1  0  0  0  0
 11  5  2  0  0  0  0
 12  7  2  0  0  0  0
 13  8  1  0  0  0  0
 14  9  1  0  0  0  0
 15 10  1  0  0  0  0
 16 14  1  0  0  0  0
 17 15  1  0  0  0  0
 18 15  2  0  0  0  0
 19 13  1  0  0  0  0
 20 18  1  0  0  0  0
 21 17  2  0  0  0  0
 22 20  2  0  0  0  0
  9  8  1  0  0  0  0
  6  7  1  0  0  0  0
 22 21  1  0  0  0  0
M  END
>  <Mol_ID> (4,564)
4564

>  <Formula> (4,564)
C15H16N4O3

>  <MolWeight> (4,564)
300.31254

>  <COMPOUND_NAME> (4,564)
WAY-631878

>  <BAR_CODE_NO> (4,564)
90466260

$$$$
WAY-631890
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -0.8458    1.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458    2.7583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333    2.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333    1.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917   -3.4292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792    2.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5625    1.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458    0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5625    2.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917   -2.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6667    3.5833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3375    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5625   -0.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042   -2.1917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4750    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8875    3.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917   -5.0792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333   -0.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792   -3.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042   -3.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792   -2.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2750    1.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2750    2.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042   -4.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792   -4.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333   -0.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792   -1.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9875    1.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9875    2.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  9  2  0  0  0  0
  3  4  2  0  0  0  0
  4  1  1  0  0  0  0
  5 10  1  0  0  0  0
  6  3  1  0  0  0  0
  7  1  2  0  0  0  0
  8  1  1  0  0  0  0
  9  7  1  0  0  0  0
 10 21  1  0  0  0  0
 11  6  1  0  0  0  0
 12  6  2  0  0  0  0
 13  8  2  0  0  0  0
 14 10  2  0  0  0  0
 15 11  1  0  0  0  0
 16 12  1  0  0  0  0
 17 24  1  0  0  0  0
 18  8  1  0  0  0  0
 19  5  1  0  0  0  0
 20  5  1  0  0  0  0
 21 27  1  0  0  0  0
 22  7  1  0  0  0  0
 23  9  1  0  0  0  0
 24 20  1  0  0  0  0
 25 19  1  0  0  0  0
 26 18  1  0  0  0  0
 27 26  1  0  0  0  0
 28 22  2  0  0  0  0
 29 28  1  0  0  0  0
  2  3  1  0  0  0  0
 29 23  2  0  0  0  0
 15 16  2  0  0  0  0
 17 25  1  0  0  0  0
M  END
>  <Mol_ID> (4,565)
4565

>  <Formula> (4,565)
C22H22N2O5

>  <MolWeight> (4,565)
394.42048

>  <COMPOUND_NAME> (4,565)
WAY-631890

>  <BAR_CODE_NO> (4,565)
90466272

$$$$
WAY-631987
csChFnd80/06171916322D

 24 27  0  0  0  0  0  0  0  0999 V2000
    1.1167    0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042   -0.4417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042   -0.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042    0.7875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3125    0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0250    0.7875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.7458    0.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8667    0.7083    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458    2.0250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4583    0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3417   -1.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0250    1.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4583    1.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1667   -1.4542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3125   -0.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1708    0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5042   -2.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1708    2.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8625   -2.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0167   -2.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8833    0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8833    1.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917   -2.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  1  1  0  0  0  0
  9  8  1  0  0  0  0
 10 13  1  0  0  0  0
 11  7  1  0  0  0  0
 12  3  1  0  0  0  0
 13  6  1  0  0  0  0
 14 10  1  0  0  0  0
 15 12  2  0  0  0  0
 16  5  2  0  0  0  0
 17 11  1  0  0  0  0
 18 15  1  0  0  0  0
 19 14  1  0  0  0  0
 20 12  1  0  0  0  0
 21 24  1  0  0  0  0
 22 17  2  0  0  0  0
 23 19  2  0  0  0  0
 24 20  2  0  0  0  0
  9  3  2  0  0  0  0
 14 11  2  0  0  0  0
 21 18  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (4,566)
4566

>  <Formula> (4,566)
C17H13N3O3S

>  <MolWeight> (4,566)
339.36842

>  <COMPOUND_NAME> (4,566)
WAY-631987

>  <BAR_CODE_NO> (4,566)
90466372

$$$$
WAY-632004
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -1.1458   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6333   -1.7542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6333   -0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4208   -1.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4208   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0917   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5667    1.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1542    1.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1542    0.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0917   -1.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292    0.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292    1.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167    1.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3917    1.0583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5667    2.4875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1333   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1333   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8042    0.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1542    3.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8458   -1.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8458   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8 11  1  0  0  0  0
  9  7  2  0  0  0  0
 10 14  1  0  0  0  0
 11 13  2  0  0  0  0
 12  4  2  0  0  0  0
 13  9  1  0  0  0  0
 14 15  2  0  0  0  0
 15 13  1  0  0  0  0
 16  8  1  0  0  0  0
 17 10  1  0  0  0  0
 18  5  1  0  0  0  0
 19  6  1  0  0  0  0
 20 16  1  0  0  0  0
 21 17  1  0  0  0  0
 22 18  2  0  0  0  0
 23 19  2  0  0  0  0
  5  6  2  0  0  0  0
 22 23  1  0  0  0  0
 10  8  2  0  0  0  0
M  END
>  <Mol_ID> (4,567)
4567

>  <Formula> (4,567)
C19H16O4

>  <MolWeight> (4,567)
308.32794

>  <COMPOUND_NAME> (4,567)
WAY-632004

>  <BAR_CODE_NO> (4,567)
90466390

$$$$
WAY-632021
csChFnd80/06171916322D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.8917    0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8917   -0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1792    0.5875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1792   -1.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333   -0.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333    0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6792    0.4333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6792   -0.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1667   -0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2458    0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6750    0.5875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1792   -1.8875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.9708    0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9375   -1.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9917   -0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2458    1.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6750    1.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9708    1.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  6  1  0  0  0  0
  6  3  2  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  7  1  0  0  0  0
 10  6  1  0  0  0  0
 11 13  1  0  0  0  0
 12  4  1  0  0  0  0
 13 10  2  0  0  0  0
 14  8  1  0  0  0  0
 15  9  1  0  0  0  0
 16 10  1  0  0  0  0
 17 18  1  0  0  0  0
 18 16  2  0  0  0  0
  8  9  2  0  0  0  0
  5  4  2  0  0  0  0
 17 11  2  0  0  0  0
M  END
>  <Mol_ID> (4,568)
4568

>  <Formula> (4,568)
C13H10ClN3S

>  <MolWeight> (4,568)
275.7566

>  <COMPOUND_NAME> (4,568)
WAY-632021

>  <BAR_CODE_NO> (4,568)
90466407

$$$$
WAY-632041-A
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -1.8833    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3333    0.6458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2250   -0.5875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3250   -1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6333    2.0375    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.6958    1.0833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1292   -1.0250    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.5875   -0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5250    0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1125    2.7083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6792   -1.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292    0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3875   -0.2417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6333    3.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4292   -2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4917   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458    2.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458    3.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0417   -2.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9792   -3.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7875   -2.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3 13  1  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  2  0  0  0  0
  7  4  1  0  0  0  0
  8  2  1  0  0  0  0
  9  2  1  0  0  0  0
 10  5  1  0  0  0  0
 11  7  1  0  0  0  0
 12  8  1  0  0  0  0
 13  9  1  0  0  0  0
 14  7  1  0  0  0  0
 15 10  1  0  0  0  0
 16 11  1  0  0  0  0
 17 11  2  0  0  0  0
 18  5  1  0  0  0  0
 19 18  1  0  0  0  0
 20 17  1  0  0  0  0
 21 16  2  0  0  0  0
 22 20  2  0  0  0  0
 15 19  1  0  0  0  0
  3 12  1  0  0  0  0
 22 21  1  0  0  0  0
M  END
>  <Mol_ID> (4,569)
4569

>  <Formula> (4,569)
C17H24N2O3

>  <MolWeight> (4,569)
304.38406

>  <COMPOUND_NAME> (4,569)
WAY-632041

>  <BAR_CODE_NO> (4,569)
90466427

$$$$
WAY-632042
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
    2.5417   -2.7625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2625   -2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3125   -0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8292   -2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8292   -1.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2625   -1.5250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3125   -1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0250    0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042   -1.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0250    0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167   -2.7625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5417   -1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167   -1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4583    2.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042    0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042   -2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1708    2.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4583    3.4250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9750   -2.7625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3125    1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458    2.1875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458    1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0250   -1.5250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042    0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458   -0.2875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167    1.3625    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.9750   -1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8833    3.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8833    2.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1708    3.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  7  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  2  1  0  0  0  0
  7  9  1  0  0  0  0
  8  3  2  0  0  0  0
  9 16  1  0  0  0  0
 10  8  1  0  0  0  0
 11  4  1  0  0  0  0
 12  5  1  0  0  0  0
 13  5  1  0  0  0  0
 14 21  1  0  0  0  0
 15  3  1  0  0  0  0
 16 11  2  0  0  0  0
 17 14  2  0  0  0  0
 18 14  1  0  0  0  0
 19  2  2  0  0  0  0
 20 24  1  0  0  0  0
 21 22  1  0  0  0  0
 22 10  1  0  0  0  0
 23  7  2  0  0  0  0
 24 15  2  0  0  0  0
 25  8  1  0  0  0  0
 26 24  1  0  0  0  0
 27  6  1  0  0  0  0
 28 30  1  0  0  0  0
 29 17  1  0  0  0  0
 30 18  2  0  0  0  0
  9 13  2  0  0  0  0
 12  6  1  0  0  0  0
 20 10  2  0  0  0  0
 28 29  2  0  0  0  0
M  END
>  <Mol_ID> (4,570)
4570

>  <Formula> (4,570)
C20H16ClN5O3S

>  <MolWeight> (4,570)
441.89074

>  <COMPOUND_NAME> (4,570)
WAY-632042

>  <BAR_CODE_NO> (4,570)
90466428

$$$$
WAY-632074
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
    0.5792    0.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917   -0.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333    0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917    0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2833    0.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9958    0.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042   -0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042   -1.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8500    0.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5625    0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333   -0.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2833    1.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7250   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4208   -0.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792    1.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9958   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7083    0.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7250   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042    0.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4375   -0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4375   -1.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7083   -0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4208    0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7250   -2.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917    2.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042    1.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5 10  1  0  0  0  0
  6  5  1  0  0  0  0
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  3  1  0  0  0  0
 10  9  1  0  0  0  0
 11  3  2  0  0  0  0
 12  5  2  0  0  0  0
 13  8  2  0  0  0  0
 14 24  1  0  0  0  0
 15  1  1  0  0  0  0
 16  6  1  0  0  0  0
 17  6  1  0  0  0  0
 18  7  2  0  0  0  0
 19  4  1  0  0  0  0
 20 18  1  0  0  0  0
 21  8  1  0  0  0  0
 22 20  2  0  0  0  0
 23 16  1  0  0  0  0
 24 17  1  0  0  0  0
 25 13  1  0  0  0  0
 26 15  2  0  0  0  0
 27 26  1  0  0  0  0
 27 19  2  0  0  0  0
 22 13  1  0  0  0  0
 14 23  1  0  0  0  0
M  END
>  <Mol_ID> (4,571)
4571

>  <Formula> (4,571)
C21H24N2O4

>  <MolWeight> (4,571)
368.42626

>  <COMPOUND_NAME> (4,571)
WAY-632074

>  <BAR_CODE_NO> (4,571)
90466462

$$$$
WAY-632158
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.2333   -1.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333   -2.6792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333   -0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458   -1.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458   -2.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792   -2.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792   -1.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458    0.2083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792    0.2083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2000   -2.6792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792    1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2000    2.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6583   -1.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6583   -2.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2000    1.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792    2.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9125    2.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3708   -1.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3708   -2.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9125    3.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792    3.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2000    3.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  6  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  7  1  0  0  0  0
  7  1  2  0  0  0  0
  8  3  2  0  0  0  0
  9  3  1  0  0  0  0
 10  6  1  0  0  0  0
 11  9  1  0  0  0  0
 12 15  1  0  0  0  0
 13  4  1  0  0  0  0
 14  5  1  0  0  0  0
 15 11  1  0  0  0  0
 16 12  2  0  0  0  0
 17 12  1  0  0  0  0
 18 13  2  0  0  0  0
 19 18  1  0  0  0  0
 20 17  2  0  0  0  0
 21 16  1  0  0  0  0
 22 20  1  0  0  0  0
  2  5  1  0  0  0  0
 19 14  2  0  0  0  0
 22 21  2  0  0  0  0
M  END
>  <Mol_ID> (4,572)
4572

>  <Formula> (4,572)
C18H16N2O2

>  <MolWeight> (4,572)
292.33184

>  <COMPOUND_NAME> (4,572)
WAY-632158

>  <BAR_CODE_NO> (4,572)
90466548

$$$$
WAY-632218
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.4583   -0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458   -0.0792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458   -1.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667   -0.7417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7792   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7250   -1.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7250   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042   -0.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667    0.6833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042    1.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6875   -2.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7792    1.3958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458   -1.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8417    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167    2.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667    2.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375   -2.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583   -1.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2542    1.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8417    2.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  8  1  0  0  0  0
 10  5  2  0  0  0  0
 11  9  2  0  0  0  0
 12  3  1  0  0  0  0
 13 11  1  0  0  0  0
 14  6  1  0  0  0  0
 15  7  1  0  0  0  0
 16  9  1  0  0  0  0
 17 11  1  0  0  0  0
 18 13  1  0  0  0  0
 19 12  1  0  0  0  0
 20 14  2  0  0  0  0
 21 15  2  0  0  0  0
 22 16  2  0  0  0  0
 23 22  1  0  0  0  0
  6  7  2  0  0  0  0
 20 21  1  0  0  0  0
 23 17  2  0  0  0  0
M  END
>  <Mol_ID> (4,573)
4573

>  <Formula> (4,573)
C17H18N4O2

>  <MolWeight> (4,573)
310.35042

>  <COMPOUND_NAME> (4,573)
WAY-632218

>  <BAR_CODE_NO> (4,573)
90466611

$$$$
WAY-632267
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -0.3083    2.0833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1792    1.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9625    1.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9625    2.4875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1792    2.7458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667   -1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1333    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167   -2.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833    0.6250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167   -0.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667   -2.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5792   -1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458    1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4750    0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5875   -0.9417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8750   -2.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292   -1.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958   -2.3417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3708    1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458    2.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4292   -3.2250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3708    2.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7833    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7833    0.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458   -1.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2292   -3.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6 10  1  0  0  0  0
  7  1  1  0  0  0  0
  8  6  2  0  0  0  0
  9  2  1  0  0  0  0
 10 14  1  0  0  0  0
 11  8  1  0  0  0  0
 12  6  1  0  0  0  0
 13  7  2  0  0  0  0
 14  9  1  0  0  0  0
 15 10  2  0  0  0  0
 16 17  1  0  0  0  0
 17 12  2  0  0  0  0
 18  8  1  0  0  0  0
 19 13  1  0  0  0  0
 20  7  1  0  0  0  0
 21 16  1  0  0  0  0
 22 20  2  0  0  0  0
 23 22  1  0  0  0  0
 24 19  1  0  0  0  0
 25 18  1  0  0  0  0
 26 21  1  0  0  0  0
  4  3  1  0  0  0  0
 23 19  2  0  0  0  0
 16 11  2  0  0  0  0
M  END
>  <Mol_ID> (4,574)
4574

>  <Formula> (4,574)
C18H18N4O3S

>  <MolWeight> (4,574)
370.42552

>  <COMPOUND_NAME> (4,574)
WAY-632267

>  <BAR_CODE_NO> (4,574)
90466661

$$$$
WAY-632284
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
    1.8542    0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667    0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8542    1.5958    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.6375    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6375    1.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417    0.9333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -1.0375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5917   -0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917   -0.6917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6333   -1.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292    1.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5708   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1833   -0.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417    2.3583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375   -0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5375   -1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3042    0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3042    1.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9333    0.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8833   -1.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958    1.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9875   -0.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4833    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6958   -2.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2458   -1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  2  1  0  0  0  0
  7 12  1  0  0  0  0
  8  1  1  0  0  0  0
  9  8  1  0  0  0  0
 10  7  1  0  0  0  0
 11  6  1  0  0  0  0
 12 17  1  0  0  0  0
 13 16  1  0  0  0  0
 14 10  2  0  0  0  0
 15 11  2  0  0  0  0
 16  9  1  0  0  0  0
 17  9  1  0  0  0  0
 18  4  1  0  0  0  0
 19  5  1  0  0  0  0
 20 14  1  0  0  0  0
 21 10  1  0  0  0  0
 22 11  1  0  0  0  0
 23 14  1  0  0  0  0
 24 20  1  0  0  0  0
 25 21  2  0  0  0  0
 26 25  1  0  0  0  0
  3  5  1  0  0  0  0
  7 13  1  0  0  0  0
 26 23  2  0  0  0  0
M  END
>  <Mol_ID> (4,575)
4575

>  <Formula> (4,575)
C20H27N3O2S

>  <MolWeight> (4,575)
373.51228

>  <COMPOUND_NAME> (4,575)
WAY-632284

>  <BAR_CODE_NO> (4,575)
90466680

$$$$
WAY-632323
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
    2.1667   -0.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6792    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1667    1.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9542    1.0458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9542    0.2208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8625    0.6833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6458    0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6458    1.7583    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9125   -0.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3833    1.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542    0.6333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8625    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3208    0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417    1.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542   -1.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4667   -1.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2125   -2.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0708    0.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2333   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4042   -2.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417   -1.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8958   -0.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7375    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6500   -0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6 10  1  0  0  0  0
  7  6  2  0  0  0  0
  8 12  1  0  0  0  0
  9  1  1  0  0  0  0
 10 15  1  0  0  0  0
 11  2  1  0  0  0  0
 12 10  2  0  0  0  0
 13  7  1  0  0  0  0
 14  9  1  0  0  0  0
 15 11  1  0  0  0  0
 16 14  2  0  0  0  0
 17  9  2  0  0  0  0
 18 17  1  0  0  0  0
 19 13  1  0  0  0  0
 20 13  2  0  0  0  0
 21 18  2  0  0  0  0
 22 16  1  0  0  0  0
 23 20  1  0  0  0  0
 24 19  2  0  0  0  0
 25 23  2  0  0  0  0
  3  4  1  0  0  0  0
 21 16  1  0  0  0  0
  7  8  1  0  0  0  0
 25 24  1  0  0  0  0
M  END
>  <Mol_ID> (4,576)
4576

>  <Formula> (4,576)
C18H15N5S2

>  <MolWeight> (4,576)
365.4752

>  <COMPOUND_NAME> (4,576)
WAY-632323

>  <BAR_CODE_NO> (4,576)
90466719

$$$$
WAY-632360
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
    1.9667   -0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6792    0.9250    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.6792   -0.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9667    0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0333   -0.7250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3208   -0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7458   -0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0333    0.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6083   -0.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7458    0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3208    0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542   -0.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542    0.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4000    0.5125    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.6792    1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8875   -0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417   -0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1750   -0.7250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4583   -0.7250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0917   -0.0042    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667   -1.4375    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.4000   -1.1375    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6083    0.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417    0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8875    0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  6  1  0  0  0  0
  6  9  1  0  0  0  0
  7  5  1  0  0  0  0
  8 11  1  0  0  0  0
  9 16  2  0  0  0  0
 10  8  2  0  0  0  0
 11 23  1  0  0  0  0
 12  1  1  0  0  0  0
 13  4  1  0  0  0  0
 14  2  1  0  0  0  0
 15  2  2  0  0  0  0
 16 18  1  0  0  0  0
 17 12  2  0  0  0  0
 18 17  1  0  0  0  0
 19  7  2  0  0  0  0
 20  3  1  0  0  0  0
 21  3  1  0  0  0  0
 22  3  1  0  0  0  0
 23 25  2  0  0  0  0
 24 17  1  0  0  0  0
 25 16  1  0  0  0  0
 24 13  2  0  0  0  0
 11  6  2  0  0  0  0
  7 10  1  0  0  0  0
M  END
>  <Mol_ID> (4,577)
4577

>  <Formula> (4,577)
C16H8F3NO5

>  <MolWeight> (4,577)
351.2336296

>  <COMPOUND_NAME> (4,577)
WAY-632360

>  <BAR_CODE_NO> (4,577)
90466758

$$$$
WAY-632378
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    2.4375   -0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7250   -0.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4375    0.6375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0625    0.8958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1333   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5458    0.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2833   -0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1542   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8500   -0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0625   -0.4417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042   -0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2833    0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5625   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8667   -0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208   -0.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1333   -1.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8500    0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042    0.6375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5625    1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8667    0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1542    1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2917   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1542   -1.4250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    1.0500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4 12  1  0  0  0  0
  5 15  1  0  0  0  0
  6 10  1  0  0  0  0
  7 13  1  0  0  0  0
  8  1  2  0  0  0  0
  9  5  1  0  0  0  0
 10  7  1  0  0  0  0
 11  2  1  0  0  0  0
 12 19  1  0  0  0  0
 13  9  2  0  0  0  0
 14  8  1  0  0  0  0
 15 22  1  0  0  0  0
 16  5  2  0  0  0  0
 17  9  1  0  0  0  0
 18 11  2  0  0  0  0
 19 17  2  0  0  0  0
 20 14  2  0  0  0  0
 21  3  2  0  0  0  0
 22 11  1  0  0  0  0
 23  8  1  0  0  0  0
 24 20  1  0  0  0  0
 21 20  1  0  0  0  0
 12  7  2  0  0  0  0
  6  4  2  0  0  0  0
M  END
>  <Mol_ID> (4,578)
4578

>  <Formula> (4,578)
C15H9Cl2N3O3S

>  <MolWeight> (4,578)
382.22126

>  <COMPOUND_NAME> (4,578)
WAY-632378

>  <BAR_CODE_NO> (4,578)
90466776

$$$$
WAY-632416
csChFnd80/06171916322D

 30 34  0  0  0  0  0  0  0  0999 V2000
    2.3000    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3000   -0.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0792    0.2750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5167    0.2750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2708    1.0333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5167   -1.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0792   -1.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5667   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9208    1.0333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6833    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4458    1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5083    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5083    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6833    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083    0.3208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9208    2.4625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333    1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083   -1.1042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3417    1.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3917   -0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4167   -1.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2708   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9208   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7250   -1.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2417   -1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6833   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5083   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5 12  1  0  0  0  0
  6  4  1  0  0  0  0
  7  2  1  0  0  0  0
  8  2  1  0  0  0  0
  9  3  1  0  0  0  0
 10 13  1  0  0  0  0
 11  5  1  0  0  0  0
 12 18  1  0  0  0  0
 13 16  1  0  0  0  0
 14  6  1  0  0  0  0
 15 11  2  0  0  0  0
 16  5  1  0  0  0  0
 17 14  1  0  0  0  0
 18 17  1  0  0  0  0
 19 13  2  0  0  0  0
 20 12  2  0  0  0  0
 21 14  2  0  0  0  0
 22  3  1  0  0  0  0
 23  9  1  0  0  0  0
 24  8  1  0  0  0  0
 25 11  1  0  0  0  0
 26 15  1  0  0  0  0
 27 23  2  0  0  0  0
 28 24  2  0  0  0  0
 29 25  2  0  0  0  0
 30 29  1  0  0  0  0
  9  8  2  0  0  0  0
  7  6  2  0  0  0  0
 27 28  1  0  0  0  0
 10 15  1  0  0  0  0
 30 26  2  0  0  0  0
M  END
>  <Mol_ID> (4,579)
4579

>  <Formula> (4,579)
C22H17N3O4S

>  <MolWeight> (4,579)
419.45308

>  <COMPOUND_NAME> (4,579)
WAY-632416

>  <BAR_CODE_NO> (4,579)
90466814

$$$$
WAY-632458
csChFnd80/06171916322D

 23 24  0  0  0  0  0  0  0  0999 V2000
    2.1667    0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1125    0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4000   -0.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6875    0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1667    0.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6000    0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7417    0.1458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1125    0.9708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542   -1.0917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6875    0.9708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8333   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6000    0.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875   -1.0917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875    1.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3167    1.3833    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.5458    0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8333   -1.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5458   -1.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2583   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2583   -1.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  6  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  2  0  0  0  0
  6 15  1  0  0  0  0
  7  1  1  0  0  0  0
  8  5  1  0  0  0  0
  9  4  1  0  0  0  0
 10  2  2  0  0  0  0
 11  4  2  0  0  0  0
 12  6  2  0  0  0  0
 13  2  1  0  0  0  0
 14 17  1  0  0  0  0
 15  9  1  0  0  0  0
 16  5  1  0  0  0  0
 17  7  2  0  0  0  0
 18 14  1  0  0  0  0
 19 13  1  0  0  0  0
 20 13  1  0  0  0  0
 21 20  1  0  0  0  0
 22 19  1  0  0  0  0
 23 21  1  0  0  0  0
 14  8  2  0  0  0  0
 23 22  1  0  0  0  0
M  END
>  <Mol_ID> (4,580)
4580

>  <Formula> (4,580)
C16H18ClNO5

>  <MolWeight> (4,580)
339.77082

>  <COMPOUND_NAME> (4,580)
WAY-632458

>  <BAR_CODE_NO> (4,580)
90466860

$$$$
WAY-632475
csChFnd80/06171916322D

 31 35  0  0  0  0  0  0  0  0999 V2000
   -0.0583   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292   -0.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9542    2.2833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   -0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667    2.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208    2.6958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667    1.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208    1.8708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667    0.2208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667   -2.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7250    3.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7250    0.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7250   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333   -2.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3375   -4.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667   -4.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8875   -3.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5958   -5.0417    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2958   -0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2958   -1.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5292    3.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667    4.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292    5.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1208   -0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1208   -1.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7875    4.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2292    5.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5333   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  9  2  0  0  0  0
  6  4  2  0  0  0  0
  7  5  1  0  0  0  0
  8 10  1  0  0  0  0
  9 15  1  0  0  0  0
 10  9  1  0  0  0  0
 11  4  1  0  0  0  0
 12  2  1  0  0  0  0
 13  1  1  0  0  0  0
 14  7  1  0  0  0  0
 15 11  1  0  0  0  0
 16 12  1  0  0  0  0
 17 12  2  0  0  0  0
 18 20  2  0  0  0  0
 19 16  2  0  0  0  0
 20 17  1  0  0  0  0
 21 18  1  0  0  0  0
 22 13  1  0  0  0  0
 23 13  2  0  0  0  0
 24 14  1  0  0  0  0
 25 14  2  0  0  0  0
 26 25  1  0  0  0  0
 27 22  2  0  0  0  0
 28 23  1  0  0  0  0
 29 24  2  0  0  0  0
 30 26  2  0  0  0  0
 31 28  2  0  0  0  0
  6  3  1  0  0  0  0
 31 27  1  0  0  0  0
 19 18  1  0  0  0  0
  8  7  2  0  0  0  0
 30 29  1  0  0  0  0
M  END
>  <Mol_ID> (4,581)
4581

>  <Formula> (4,581)
C23H16FN5OS

>  <MolWeight> (4,581)
429.4694432

>  <COMPOUND_NAME> (4,581)
WAY-632475

>  <BAR_CODE_NO> (4,581)
90466877

$$$$
WAY-649289
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
    1.5667    0.9750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542    1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5667    0.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1417    0.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542   -0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1417    0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5750   -2.7375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542    2.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542   -1.0875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0083   -3.5625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1417   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1417   -2.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5750    1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5750   -3.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2875   -2.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5750   -0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2875   -3.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0083   -2.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5667    2.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1417    2.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2875    0.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2875    0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1417    3.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5667    3.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542    3.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  2  0  0  0  0
  7 12  1  0  0  0  0
  8  2  1  0  0  0  0
  9  5  1  0  0  0  0
 10 18  1  0  0  0  0
 11  9  1  0  0  0  0
 12 11  1  0  0  0  0
 13  4  1  0  0  0  0
 14  7  1  0  0  0  0
 15  7  1  0  0  0  0
 16  6  1  0  0  0  0
 17 14  1  0  0  0  0
 18 15  1  0  0  0  0
 19  8  1  0  0  0  0
 20  8  2  0  0  0  0
 21 13  2  0  0  0  0
 22 16  2  0  0  0  0
 23 20  1  0  0  0  0
 24 19  2  0  0  0  0
 25 23  2  0  0  0  0
  6  4  1  0  0  0  0
 22 21  1  0  0  0  0
 25 24  1  0  0  0  0
 10 17  1  0  0  0  0
M  END
>  <Mol_ID> (4,582)
4582

>  <Formula> (4,582)
C20H22N4O

>  <MolWeight> (4,582)
334.41488

>  <COMPOUND_NAME> (4,582)
WAY-649289

>  <BAR_CODE_NO> (4,582)
90483933

$$$$
WAY-649386
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -1.1833    0.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3667   -1.5667    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.6958    1.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833    2.1958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9708    1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208    0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5625   -1.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9708    1.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6167   -2.3542    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.9167   -0.9542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4750   -0.5417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3042   -0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042   -2.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1417   -0.8792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9417   -1.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2000   -1.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -0.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6750    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6750    2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3958    1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3958    1.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7 13  1  0  0  0  0
  8  5  2  0  0  0  0
  9  2  1  0  0  0  0
 10  2  2  0  0  0  0
 11  6  1  0  0  0  0
 12  6  2  0  0  0  0
 13 18  2  0  0  0  0
 14 17  1  0  0  0  0
 15 11  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 16  1  0  0  0  0
 19  5  1  0  0  0  0
 20  8  1  0  0  0  0
 21 19  2  0  0  0  0
 22 21  1  0  0  0  0
  8  4  1  0  0  0  0
 22 20  2  0  0  0  0
  7 14  2  0  0  0  0
M  END
>  <Mol_ID> (4,583)
4583

>  <Formula> (4,583)
C16H12N2O4

>  <MolWeight> (4,583)
296.27748

>  <COMPOUND_NAME> (4,583)
WAY-649386

>  <BAR_CODE_NO> (4,583)
90484034

$$$$
WAY-649599
csChFnd80/06171916322D

 33 37  0  0  0  0  0  0  0  0999 V2000
    1.1750   -0.0250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7250    0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3125    1.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167    0.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042    1.1333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5417    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958   -0.1042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708    0.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4375    0.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1500   -0.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3417   -0.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7250   -0.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708    1.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833   -0.1042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8792   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083    0.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    1.5458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4375    1.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7250   -0.9292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1500    1.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7042   -0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0292    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0375   -1.0917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8500    1.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2958    0.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2958    1.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7292   -1.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292   -1.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875    0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8542   -1.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3000   -1.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042   -2.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6875   -2.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10  9  2  0  0  0  0
 11  1  1  0  0  0  0
 12 16  1  0  0  0  0
 13 20  1  0  0  0  0
 14  8  1  0  0  0  0
 15  6  1  0  0  0  0
 16  7  1  0  0  0  0
 17 13  1  0  0  0  0
 18  9  1  0  0  0  0
 19 12  2  0  0  0  0
 20 18  2  0  0  0  0
 21 15  2  0  0  0  0
 22  6  2  0  0  0  0
 23 21  1  0  0  0  0
 24 22  1  0  0  0  0
 25 14  1  0  0  0  0
 26 17  1  0  0  0  0
 27 11  1  0  0  0  0
 28 11  2  0  0  0  0
 29 24  2  0  0  0  0
 30 23  1  0  0  0  0
 31 28  1  0  0  0  0
 32 27  2  0  0  0  0
 33 31  2  0  0  0  0
  5  3  1  0  0  0  0
 33 32  1  0  0  0  0
 29 21  1  0  0  0  0
 13  8  2  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (4,584)
4584

>  <Formula> (4,584)
C25H21N3O4S

>  <MolWeight> (4,584)
459.51694

>  <COMPOUND_NAME> (4,584)
WAY-649599

>  <BAR_CODE_NO> (4,584)
90484249

$$$$
WAY-649626
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
    2.0417    2.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0417    1.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7542    2.7083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4750    1.4625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4750    2.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7542    1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2625    2.5458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2625    1.2083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7750    1.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042    0.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9875   -2.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875    2.7083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7542    0.2250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5375   -2.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2458   -3.4042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1833   -2.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3458   -2.1750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583    0.8625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7542    3.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875    1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2833   -1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583   -0.5292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9250   -1.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4750   -1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8625   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0500   -3.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6000   -2.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208   -1.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  7  2  0  0  0  0
 10  8  1  0  0  0  0
 11 17  1  0  0  0  0
 12  5  2  0  0  0  0
 13  6  2  0  0  0  0
 14 10  1  0  0  0  0
 15 22  1  0  0  0  0
 16 11  1  0  0  0  0
 17 24  2  0  0  0  0
 18 15  1  0  0  0  0
 19 14  2  0  0  0  0
 20  3  1  0  0  0  0
 21  4  1  0  0  0  0
 22 25  2  0  0  0  0
 23 14  1  0  0  0  0
 24 29  1  0  0  0  0
 25 24  1  0  0  0  0
 26 23  1  0  0  0  0
 27 16  1  0  0  0  0
 28 18  1  0  0  0  0
 29 26  1  0  0  0  0
  8  9  1  0  0  0  0
  4  6  1  0  0  0  0
 15 11  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (4,585)
4585

>  <Formula> (4,585)
C19H21N5O5

>  <MolWeight> (4,585)
399.40054

>  <COMPOUND_NAME> (4,585)
WAY-649626

>  <BAR_CODE_NO> (4,585)
90484276

$$$$
WAY-649701
csChFnd80/06171916322D

 22 25  0  0  0  0  0  0  0  0999 V2000
   -1.2708   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7500    0.4458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7500   -0.8917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417    0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5375    0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5375   -0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0292   -0.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0292    1.2083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2667    0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333    0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333   -0.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917    0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917   -0.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2500    0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2500   -1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4375    0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8542   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8542    1.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9708   -0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9708    0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  7  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7 13  1  0  0  0  0
  8  1  1  0  0  0  0
  9  4  2  0  0  0  0
 10  4  1  0  0  0  0
 11  8  1  0  0  0  0
 12  8  2  0  0  0  0
 13 15  2  0  0  0  0
 14 11  2  0  0  0  0
 15 12  1  0  0  0  0
 16  5  1  0  0  0  0
 17  6  1  0  0  0  0
 18 20  1  0  0  0  0
 19 10  1  0  0  0  0
 20 10  1  0  0  0  0
 21 17  2  0  0  0  0
 22 16  2  0  0  0  0
  6  5  2  0  0  0  0
 14 13  1  0  0  0  0
 21 22  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (4,586)
4586

>  <Formula> (4,586)
C18H16N2OS

>  <MolWeight> (4,586)
308.39744

>  <COMPOUND_NAME> (4,586)
WAY-649701

>  <BAR_CODE_NO> (4,586)
90484351

$$$$
WAY-649757
csChFnd80/06171916322D

 19 22  0  0  0  0  0  0  0  0999 V2000
   -0.2750    0.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7625   -0.2417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208    0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7625   -1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042    1.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208   -1.3250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2750    2.1333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0625    1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083   -0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4292   -1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2167   -1.3000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0625    1.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4292   -2.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7000   -1.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2167   -2.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833    0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833    2.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4958    1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4958    1.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  1  2  0  0  0  0
  6  9  1  0  0  0  0
  7  5  1  0  0  0  0
  8  1  1  0  0  0  0
  9  3  2  0  0  0  0
 10  4  1  0  0  0  0
 11 10  1  0  0  0  0
 12  8  2  0  0  0  0
 13 10  2  0  0  0  0
 14 11  1  0  0  0  0
 15 13  1  0  0  0  0
 16  8  1  0  0  0  0
 17 12  1  0  0  0  0
 18 16  2  0  0  0  0
 19 18  1  0  0  0  0
 12  7  1  0  0  0  0
  6  4  1  0  0  0  0
 19 17  2  0  0  0  0
 14 15  2  0  0  0  0
M  END
>  <Mol_ID> (4,587)
4587

>  <Formula> (4,587)
C15H10N2S2

>  <MolWeight> (4,587)
282.3833

>  <COMPOUND_NAME> (4,587)
WAY-649757

>  <BAR_CODE_NO> (4,587)
90484407

$$$$
WAY-650086
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -1.4250    2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6833    1.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1250    0.8500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208   -0.3750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4250    3.5833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083    2.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6375    2.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292   -0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4875    1.2958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6375    3.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3833    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6292   -2.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1875   -2.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8333   -0.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292    0.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9917   -2.6542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2750   -1.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3375   -0.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -2.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8875   -1.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9292   -3.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4 16  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  7  1  1  0  0  0  0
  8  4  1  0  0  0  0
  9  2  2  0  0  0  0
 10  7  2  0  0  0  0
 11  3  1  0  0  0  0
 12  3  1  0  0  0  0
 13 21  1  0  0  0  0
 14 13  1  0  0  0  0
 15 11  1  0  0  0  0
 16 12  1  0  0  0  0
 17 14  2  0  0  0  0
 18  8  2  0  0  0  0
 19  8  1  0  0  0  0
 20 18  1  0  0  0  0
 21 19  2  0  0  0  0
 22 14  1  0  0  0  0
  5 10  1  0  0  0  0
  4 15  1  0  0  0  0
 13 20  2  0  0  0  0
M  END
>  <Mol_ID> (4,588)
4588

>  <Formula> (4,588)
C16H18N4O2

>  <MolWeight> (4,588)
298.33972

>  <COMPOUND_NAME> (4,588)
WAY-650086

>  <BAR_CODE_NO> (4,588)
90484739

$$$$
WAY-650087
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
    2.4042   -0.3125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6917    0.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0750   -0.4292    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.2167   -1.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000   -1.1917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0708   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583   -0.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0708    0.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6167    0.9333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7625   -1.7375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7125   -0.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542    0.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7125    1.3208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2500   -0.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8750    0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5208   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5208    1.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  3  1  0  0  0  0
  7  8  1  0  0  0  0
  8  6  2  0  0  0  0
  9 15  1  0  0  0  0
 10  2  2  0  0  0  0
 11  4  2  0  0  0  0
 12  7  1  0  0  0  0
 13  6  1  0  0  0  0
 14  9  1  0  0  0  0
 15 13  2  0  0  0  0
 16  3  1  0  0  0  0
 17 18  1  0  0  0  0
 18 12  1  0  0  0  0
 19 14  1  0  0  0  0
  5  3  1  0  0  0  0
  9  7  2  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (4,589)
4589

>  <Formula> (4,589)
C13H14N2O4

>  <MolWeight> (4,589)
262.26126

>  <COMPOUND_NAME> (4,589)
WAY-650087

>  <BAR_CODE_NO> (4,589)
90484740

$$$$
WAY-650092
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -1.1875    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1875   -0.0250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4708    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4708   -0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9708    1.0583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417   -0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9708   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9542   -0.4375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4583    0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6667   -0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4708    2.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4708    2.8625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4708   -1.2625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6667    0.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792   -0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3083   -1.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2750    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792   -1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1000   -0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1250   -1.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6125   -0.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8167   -0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1000   -1.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8167   -1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  7  2  0  0  0  0
  7  3  1  0  0  0  0
  8  2  1  0  0  0  0
  9  6  1  0  0  0  0
 10  5  1  0  0  0  0
 11  9  1  0  0  0  0
 12  3  1  0  0  0  0
 13 12  3  0  0  0  0
 14  4  2  0  0  0  0
 15 11  2  0  0  0  0
 16 11  1  0  0  0  0
 17  8  1  0  0  0  0
 18 10  1  0  0  0  0
 19 16  1  0  0  0  0
 20 16  2  0  0  0  0
 21 17  2  0  0  0  0
 22 18  2  0  0  0  0
 23 20  1  0  0  0  0
 24 19  2  0  0  0  0
 25 23  2  0  0  0  0
  8 10  2  0  0  0  0
  6  4  1  0  0  0  0
 21 22  1  0  0  0  0
 25 24  1  0  0  0  0
M  END
>  <Mol_ID> (4,590)
4590

>  <Formula> (4,590)
C19H12N4O2

>  <MolWeight> (4,590)
328.32418

>  <COMPOUND_NAME> (4,590)
WAY-650092

>  <BAR_CODE_NO> (4,590)
90484746

$$$$
WAY-650098
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -2.9833   -0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5583   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2708    0.9875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2708   -0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5583    0.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9833    0.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5875   -0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1250   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458   -0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458    0.9875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1250    0.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042    0.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167   -0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2708   -1.4875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7000    0.9875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5875   -1.4875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167    0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7292   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7292    0.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5875    0.9875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4417   -0.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1625   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  2  1  0  0  0  0
 11  5  1  0  0  0  0
 12 11  2  0  0  0  0
 13  7  2  0  0  0  0
 14  7  1  0  0  0  0
 15  4  2  0  0  0  0
 16  6  2  0  0  0  0
 17  8  2  0  0  0  0
 18 13  1  0  0  0  0
 19 14  2  0  0  0  0
 20 19  1  0  0  0  0
 21 13  1  0  0  0  0
 22 19  1  0  0  0  0
 23 22  1  0  0  0  0
  5  2  2  0  0  0  0
 12  9  1  0  0  0  0
 18 20  2  0  0  0  0
M  END
>  <Mol_ID> (4,591)
4591

>  <Formula> (4,591)
C15H11N3O5

>  <MolWeight> (4,591)
313.26494

>  <COMPOUND_NAME> (4,591)
WAY-650098

>  <BAR_CODE_NO> (4,591)
90611286

$$$$
WAY-650444
csChFnd80/06171916322D

 24 27  0  0  0  0  0  0  0  0999 V2000
    0.0750    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0750   -1.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7083   -1.0125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7083   -0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292    0.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167    2.5083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167    3.3333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208    1.4708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292    3.5833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4500    2.9208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3792   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8667    0.0708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3750   -1.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1375    1.0250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8667   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6542   -0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6542   -1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1333   -1.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2958   -2.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9583   -2.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8000   -1.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7125   -2.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  1  2  0  0  0  0
  7  1  1  0  0  0  0
  8  5  2  0  0  0  0
  9  8  1  0  0  0  0
 10  7  1  0  0  0  0
 11 12  1  0  0  0  0
 12  5  1  0  0  0  0
 13  2  1  0  0  0  0
 14 13  1  0  0  0  0
 15  4  1  0  0  0  0
 16  7  2  0  0  0  0
 17 13  2  0  0  0  0
 18 14  1  0  0  0  0
 19 17  1  0  0  0  0
 20 15  1  0  0  0  0
 21 15  2  0  0  0  0
 22 21  1  0  0  0  0
 23 20  2  0  0  0  0
 24 22  2  0  0  0  0
  3  4  1  0  0  0  0
 18 19  2  0  0  0  0
 11  9  2  0  0  0  0
 24 23  1  0  0  0  0
M  END
>  <Mol_ID> (4,592)
4592

>  <Formula> (4,592)
C15H11N7OS

>  <MolWeight> (4,592)
337.35914

>  <COMPOUND_NAME> (4,592)
WAY-650444

>  <BAR_CODE_NO> (4,592)
90485102

$$$$
WAY-650463
csChFnd80/06171916322D

 35 39  0  0  0  0  0  0  0  0999 V2000
   -2.4583    3.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4583    2.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1708    3.4583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8833    2.2208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8833    3.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1708    1.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1625   -1.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6708    3.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6708    1.9708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9875   -2.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7042   -2.4417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042   -0.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3167   -1.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9792   -1.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7875   -0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542    0.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1875    2.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583    0.2250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667    0.6083    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4208    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6000    3.4583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1708    0.9833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7917   -3.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583    1.6208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1708    4.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6000    1.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2292   -2.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1250   -2.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167   -3.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5417   -3.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6292   -4.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042   -4.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9625   -4.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7 12  1  0  0  0  0
  8  1  1  0  0  0  0
  9  2  1  0  0  0  0
 10  7  2  0  0  0  0
 11 10  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  2  0  0  0  0
 14  7  1  0  0  0  0
 15 16  2  0  0  0  0
 16 18  1  0  0  0  0
 17  8  2  0  0  0  0
 18 21  1  0  0  0  0
 19 16  1  0  0  0  0
 20 19  1  0  0  0  0
 21 22  1  0  0  0  0
 22  9  1  0  0  0  0
 23  5  2  0  0  0  0
 24  6  2  0  0  0  0
 25 11  1  0  0  0  0
 26 21  2  0  0  0  0
 27  3  1  0  0  0  0
 28  4  1  0  0  0  0
 29 10  1  0  0  0  0
 30 13  1  0  0  0  0
 31 25  1  0  0  0  0
 32 25  2  0  0  0  0
 33 32  1  0  0  0  0
 34 31  2  0  0  0  0
 35 33  2  0  0  0  0
 17  9  1  0  0  0  0
  4  6  1  0  0  0  0
 20 12  2  0  0  0  0
 11 13  1  0  0  0  0
 35 34  1  0  0  0  0
M  END
>  <Mol_ID> (4,593)
4593

>  <Formula> (4,593)
C24H23N7O3S

>  <MolWeight> (4,593)
489.54952

>  <COMPOUND_NAME> (4,593)
WAY-650463

>  <BAR_CODE_NO> (4,593)
90485122

$$$$
WAY-650109
csChFnd80/06171916322D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -0.1583    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6375   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6375    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4250   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4250    0.4125    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.6667    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3833   -1.4500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3833    1.4583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792   -0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2083   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9042    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9042   -0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2083    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1417    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.6958    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  2  0  0  0  0
  8  3  2  0  0  0  0
  9  6  2  0  0  0  0
 10  6  1  0  0  0  0
 11  4  1  0  0  0  0
 12 13  1  0  0  0  0
 13 10  2  0  0  0  0
 14  9  1  0  0  0  0
 15  5  1  0  0  0  0
 16 12  1  0  0  0  0
 17 15  1  0  0  0  0
  4  5  1  0  0  0  0
 12 14  2  0  0  0  0
 17 11  1  0  0  0  0
M  END
>  <Mol_ID> (4,594)
4594

>  <Formula> (4,594)
C12H11ClN2OS

>  <MolWeight> (4,594)
266.74654

>  <COMPOUND_NAME> (4,594)
WAY-650109

>  <BAR_CODE_NO> (4,594)
90484763

$$$$
WAY-650313
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -0.7833    0.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417    0.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708    0.7708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708   -0.5625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542    0.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0500    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0500   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792    0.8208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417   -1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417    1.5333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6917    1.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833   -1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1958   -2.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0208   -2.0375    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.5167    1.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7625    0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7625   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417   -2.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542   -2.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833   -2.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9292    0.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9292    2.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4833    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4833   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7542    2.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7542    0.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1667    1.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  2  2  0  0  0  0
  7  3  1  0  0  0  0
  8  4  1  0  0  0  0
  9  5  1  0  0  0  0
 10  6  1  0  0  0  0
 11  5  2  0  0  0  0
 12  9  1  0  0  0  0
 13 10  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 12  1  0  0  0  0
 17  7  1  0  0  0  0
 18  8  1  0  0  0  0
 19 20  1  0  0  0  0
 20 10  2  0  0  0  0
 21 19  2  0  0  0  0
 22 16  1  0  0  0  0
 23 16  2  0  0  0  0
 24 17  2  0  0  0  0
 25 18  2  0  0  0  0
 26 23  1  0  0  0  0
 27 22  2  0  0  0  0
 28 26  2  0  0  0  0
  8  7  2  0  0  0  0
 25 24  1  0  0  0  0
 21 14  1  0  0  0  0
 28 27  1  0  0  0  0
M  END
>  <Mol_ID> (4,595)
4595

>  <Formula> (4,595)
C23H18FN3O

>  <MolWeight> (4,595)
371.4069232

>  <COMPOUND_NAME> (4,595)
WAY-650313

>  <BAR_CODE_NO> (4,595)
90484970

$$$$
WAY-650326
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.4042    2.2458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0750    2.9083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042    3.5833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1917    3.3208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583   -1.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1917    2.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3125   -2.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083   -0.8917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667   -2.9625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542    1.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958   -2.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3125   -3.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958   -3.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042    0.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583    1.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583   -0.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4500    0.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  6  2  0  0  0  0
  5  8  1  0  0  0  0
  6  1  1  0  0  0  0
  7  5  1  0  0  0  0
  8 17  1  0  0  0  0
  9  7  1  0  0  0  0
 10  1  1  0  0  0  0
 11  7  2  0  0  0  0
 12  5  2  0  0  0  0
 13  9  1  0  0  0  0
 14 11  1  0  0  0  0
 15 10  1  0  0  0  0
 16 10  2  0  0  0  0
 17 19  2  0  0  0  0
 18 15  2  0  0  0  0
 19 16  1  0  0  0  0
  3  4  1  0  0  0  0
 18 17  1  0  0  0  0
 13 14  2  0  0  0  0
M  END
>  <Mol_ID> (4,596)
4596

>  <Formula> (4,596)
C12H9N5OS

>  <MolWeight> (4,596)
271.29776

>  <COMPOUND_NAME> (4,596)
WAY-650326

>  <BAR_CODE_NO> (4,596)
90484983

$$$$
WAY-650334
csChFnd80/06171916322D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.8390   -0.7814    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5640   -0.3689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8390    0.8853    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1265    0.4686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1223   -0.3689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5640    0.4686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0235    0.8728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5902    0.8811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3027    0.4603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5902   -0.7772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2765   -0.7814    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3027   -0.3647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7360    0.4603    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8390   -1.6064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0235    1.6978    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2765    0.8728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1223   -2.0189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  9  1  0  0  0  0
  8  4  2  0  0  0  0
  9 12  2  0  0  0  0
 10  5  2  0  0  0  0
 11  2  2  0  0  0  0
 12 10  1  0  0  0  0
 13  7  2  0  0  0  0
 14  1  1  0  0  0  0
 15  7  1  0  0  0  0
 16  6  1  0  0  0  0
 17 14  1  0  0  0  0
  3  6  2  0  0  0  0
  9  8  1  0  0  0  0
M  END
>  <Mol_ID> (4,597)
4597

>  <Formula> (4,597)
C12H12N2O3

>  <MolWeight> (4,597)
232.23528

>  <COMPOUND_NAME> (4,597)
WAY-650334

>  <BAR_CODE_NO> (4,597)
90484991

$$$$
WAY-650481
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    0.0667    1.1708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333   -0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8917    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1792   -0.0667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333   -1.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1792    0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2500   -0.0667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1792   -1.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2500   -1.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333   -2.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1792   -2.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2500   -2.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333   -3.7792    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3458    1.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3458    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8917    1.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042    0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708    1.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042    2.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167    1.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5833    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  1  0  0  0  0
  4  6  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  2  2  0  0  0  0
  8  5  1  0  0  0  0
  9  5  2  0  0  0  0
 10 12  2  0  0  0  0
 11  8  2  0  0  0  0
 12  9  1  0  0  0  0
 13 10  1  0  0  0  0
 14  1  1  0  0  0  0
 15  1  1  0  0  0  0
 16  3  1  0  0  0  0
 17  3  1  0  0  0  0
 18 15  1  0  0  0  0
 19 14  1  0  0  0  0
 20 17  1  0  0  0  0
 21 16  1  0  0  0  0
 22 20  1  0  0  0  0
 23 18  1  0  0  0  0
 23 19  1  0  0  0  0
 22 21  1  0  0  0  0
 11 10  1  0  0  0  0
M  END
>  <Mol_ID> (4,598)
4598

>  <Formula> (4,598)
C19H27FN2O

>  <MolWeight> (4,598)
318.4288832

>  <COMPOUND_NAME> (4,598)
WAY-650481

>  <BAR_CODE_NO> (4,598)
90485140

$$$$
WAY-650482
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -1.6772    1.2171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4600    1.6689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6738    0.3137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8944    1.6689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4600    2.5723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2462    1.2137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4565   -0.1415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8910   -0.1415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1117    1.2171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2462    3.0240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0289    1.6654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4565   -1.0484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8910   -1.0484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1117    0.3137    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6745    1.6723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0289    2.5723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6738   -1.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6780   -0.1415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6780   -1.0449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4573    0.3137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4607   -1.4967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2400   -0.1415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2435   -1.0449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0297   -1.4967    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0297   -2.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8125   -1.0415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8125   -2.8518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5952   -1.4932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5952   -2.4001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  1  0  0  0  0
  9 15  2  0  0  0  0
 10 16  2  0  0  0  0
 12 17  2  0  0  0  0
 14 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 11 16  1  0  0  0  0
 13 17  1  0  0  0  0
 22 23  2  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (4,599)
4599

>  <Formula> (4,599)
C25H26N2O2

>  <MolWeight> (4,599)
386.48614

>  <COMPOUND_NAME> (4,599)
WAY-650482

>  <BAR_CODE_NO> (4,599)
90485141

$$$$
WAY-650538
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -2.7083    0.5833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9250   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9250    0.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1958   -0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7083   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3625   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2083    0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7917    0.3250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2083   -0.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167   -0.9125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292    0.3250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958    0.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9625    1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3625    0.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0792   -0.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0792    0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7917   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0208   -0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0458   -1.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5042    0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4125    1.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5042    1.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3500   -0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8625   -1.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2167    1.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6 11  1  0  0  0  0
  7 13  1  0  0  0  0
  8  3  1  0  0  0  0
  9 20  1  0  0  0  0
 10  2  1  0  0  0  0
 11 12  1  0  0  0  0
 12 15  1  0  0  0  0
 13  6  1  0  0  0  0
 14  6  2  0  0  0  0
 15  8  2  0  0  0  0
 16  1  1  0  0  0  0
 17  7  1  0  0  0  0
 18  7  1  0  0  0  0
 19 17  1  0  0  0  0
 20 18  1  0  0  0  0
 21  4  1  0  0  0  0
 22  5  1  0  0  0  0
 23  9  1  0  0  0  0
 24 16  1  0  0  0  0
 25 23  1  0  0  0  0
 26 21  2  0  0  0  0
 27 26  1  0  0  0  0
 28 25  1  0  0  0  0
  2  5  1  0  0  0  0
 27 22  2  0  0  0  0
 12 10  2  0  0  0  0
 19  9  1  0  0  0  0
M  END
>  <Mol_ID> (4,600)
4600

>  <Formula> (4,600)
C23H30N4O

>  <MolWeight> (4,600)
378.5105

>  <COMPOUND_NAME> (4,600)
WAY-650538

>  <BAR_CODE_NO> (4,600)
90485197

$$$$
WAY-650661
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    1.4917    0.1625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9042   -0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6875   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6000   -0.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3542   -1.1667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1125   -1.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8292    0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7292   -0.6375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.6500    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2583   -0.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9875    1.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2583   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0750    0.5458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8333   -0.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458   -1.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9708   -1.2417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9708    0.4083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8042    1.8458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458    0.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8333   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    2.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6833   -0.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6833   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  2  0  0  0  0
  7  1  1  0  0  0  0
  8  2  2  0  0  0  0
  9  7  1  0  0  0  0
 10 15  1  0  0  0  0
 11  9  1  0  0  0  0
 12 19  1  0  0  0  0
 13  3  2  0  0  0  0
 14  6  1  0  0  0  0
 15 14  2  0  0  0  0
 16 10  1  0  0  0  0
 17 12  1  0  0  0  0
 18 11  2  0  0  0  0
 19 20  2  0  0  0  0
 20 14  1  0  0  0  0
 21 11  1  0  0  0  0
 22 16  1  0  0  0  0
 23 17  1  0  0  0  0
  5  4  1  0  0  0  0
 12 10  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (4,601)
4601

>  <Formula> (4,601)
C15H13NO5S2

>  <MolWeight> (4,601)
351.39742

>  <COMPOUND_NAME> (4,601)
WAY-650661

>  <BAR_CODE_NO> (4,601)
90485322

$$$$
WAY-650686
csChFnd80/06171916322D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -0.5083   -0.1542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7292   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   -0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0958   -0.8667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.2792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.4542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   -1.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208    0.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042    0.2583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208   -0.5667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458    0.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9542    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6667    0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1583   -0.1542    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.9542   -2.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1583    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208    1.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458    1.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  7  2  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8  1  1  0  0  0  0
  9  1  2  0  0  0  0
 10  1  2  0  0  0  0
 11  8  2  0  0  0  0
 12  3  1  0  0  0  0
 13  6  1  0  0  0  0
 14 11  1  0  0  0  0
 15  7  1  0  0  0  0
 16  8  1  0  0  0  0
 17 11  1  0  0  0  0
 18 16  2  0  0  0  0
 19 18  1  0  0  0  0
 19 17  2  0  0  0  0
  6  5  1  0  0  0  0
M  END
>  <Mol_ID> (4,602)
4602

>  <Formula> (4,602)
C12H14FN3O2S

>  <MolWeight> (4,602)
283.3218632

>  <COMPOUND_NAME> (4,602)
WAY-650686

>  <BAR_CODE_NO> (4,602)
90485347

$$$$
WAY-650732
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
    1.3542   -1.7167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3542   -0.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3542   -2.5417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0750    0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0750    1.5833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083    1.5833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6375   -0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958    1.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6375    0.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292   -1.7167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1792   -1.7167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2208    1.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667   -0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958    0.3458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3542    0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667    0.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2208    2.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083    3.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958    2.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667   -2.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6375   -2.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9333    1.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7792   -0.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9333    3.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6375   -3.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667   -3.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6500    1.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6500    2.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3542   -4.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  9  1  0  0  0  0
  5  4  1  0  0  0  0
  6  8  2  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  7  2  0  0  0  0
 10  1  2  0  0  0  0
 11  1  2  0  0  0  0
 12  6  1  0  0  0  0
 13  2  2  0  0  0  0
 14  4  2  0  0  0  0
 15 16  2  0  0  0  0
 16 13  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19  8  1  0  0  0  0
 20  3  1  0  0  0  0
 21  3  1  0  0  0  0
 22 12  1  0  0  0  0
 23 13  1  0  0  0  0
 24 17  1  0  0  0  0
 25 21  1  0  0  0  0
 26 20  1  0  0  0  0
 27 22  2  0  0  0  0
 28 24  2  0  0  0  0
 29 25  1  0  0  0  0
 29 26  1  0  0  0  0
  9 15  1  0  0  0  0
 17 12  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (4,603)
4603

>  <Formula> (4,603)
C22H23N3O3S

>  <MolWeight> (4,603)
409.50132

>  <COMPOUND_NAME> (4,603)
WAY-650732

>  <BAR_CODE_NO> (4,603)
90485393

$$$$
WAY-650743-A
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
    4.5042    0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2167    0.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7917    0.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5042    1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7917    2.2250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2167   -0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0750    0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0750    1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9292   -0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9292    0.9875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7917   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9292   -1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2167    2.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2167   -1.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3625    0.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3625    2.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6500   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0750   -0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5042   -0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6500   -1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2167   -2.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3625   -0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3625   -1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0750   -1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5042   -1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7917   -1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  5  1  0  0  0  0
  9  6  1  0  0  0  0
 10  2  2  0  0  0  0
 11  3  1  0  0  0  0
 12  9  2  0  0  0  0
 13  4  1  0  0  0  0
 14 12  1  0  0  0  0
 15  7  1  0  0  0  0
 16  8  1  0  0  0  0
 17  9  1  0  0  0  0
 18 11  1  0  0  0  0
 19 11  2  0  0  0  0
 20 12  1  0  0  0  0
 21 14  1  0  0  0  0
 22 15  2  0  0  0  0
 23 16  2  0  0  0  0
 24 17  2  0  0  0  0
 25 24  1  0  0  0  0
 26 18  2  0  0  0  0
 27 19  1  0  0  0  0
 28 26  1  0  0  0  0
  8  7  2  0  0  0  0
 22 23  1  0  0  0  0
 27 28  2  0  0  0  0
 25 20  2  0  0  0  0
M  END
>  <Mol_ID> (4,604)
4604

>  <Formula> (4,604)
C24H20N2O2

>  <MolWeight> (4,604)
368.4278

>  <COMPOUND_NAME> (4,604)
WAY-650743

>  <BAR_CODE_NO> (4,604)
90485404

$$$$
WAY-650775
csChFnd80/06171916322D

 21 24  0  0  0  0  0  0  0  0999 V2000
   -0.3583    0.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458    0.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667    0.7958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083   -0.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167   -0.6292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000    0.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458    1.5458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6250    0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6250    1.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6167   -0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9875   -1.2125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9292    0.5333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1042    0.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4083    0.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4083    1.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9542   -0.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8958    0.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2625   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583   -1.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7792   -0.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1375   -2.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  2  0  0  0  0
  5  6  2  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  7  1  0  0  0  0
 10  6  1  0  0  0  0
 11  4  1  0  0  0  0
 12 13  1  0  0  0  0
 13 10  2  0  0  0  0
 14  8  1  0  0  0  0
 15  9  1  0  0  0  0
 16 10  1  0  0  0  0
 17 15  1  0  0  0  0
 18 20  1  0  0  0  0
 19 11  1  0  0  0  0
 20 16  2  0  0  0  0
 21 19  1  0  0  0  0
  8  9  2  0  0  0  0
  5  4  1  0  0  0  0
 17 14  1  0  0  0  0
 18 12  2  0  0  0  0
M  END
>  <Mol_ID> (4,605)
4605

>  <Formula> (4,605)
C16H16N4S

>  <MolWeight> (4,605)
296.39004

>  <COMPOUND_NAME> (4,605)
WAY-650775

>  <BAR_CODE_NO> (4,605)
90485436

$$$$
WAY-650844
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -0.0875    2.3583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0875    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3917    1.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708    1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167   -1.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667   -2.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4042   -0.5667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667    0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542   -1.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000   -1.1542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000   -3.9917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5542    0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667    3.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5875    2.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5875    0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042   -3.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0500   -2.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5375   -3.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6167   -4.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3833    3.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3000    1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6 10  1  0  0  0  0
  7  3  1  0  0  0  0
  8 12  1  0  0  0  0
  9  2  1  0  0  0  0
 10 11  1  0  0  0  0
 11 15  1  0  0  0  0
 12  6  1  0  0  0  0
 13  6  2  0  0  0  0
 14 21  1  0  0  0  0
 15  7  2  0  0  0  0
 16  1  1  0  0  0  0
 17  4  1  0  0  0  0
 18  5  1  0  0  0  0
 19  8  1  0  0  0  0
 20  8  1  0  0  0  0
 21 20  1  0  0  0  0
 22 19  1  0  0  0  0
 23 16  1  0  0  0  0
 24 17  2  0  0  0  0
 25 24  1  0  0  0  0
  2  5  1  0  0  0  0
 25 18  2  0  0  0  0
 11  9  2  0  0  0  0
 14 22  1  0  0  0  0
M  END
>  <Mol_ID> (4,606)
4606

>  <Formula> (4,606)
C20H23N3O2

>  <MolWeight> (4,606)
337.41552

>  <COMPOUND_NAME> (4,606)
WAY-650844

>  <BAR_CODE_NO> (4,606)
90485505

$$$$
WAY-650876
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.2292   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2583    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2583   -0.9167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0458    0.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0500   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0458   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3792    0.5833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792    1.1708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7583   -1.0792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7583    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6917    0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5292   -0.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4708    0.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4708   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5125    0.0958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7583    1.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1833   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  5  1  0  0  0  0
  8  2  1  0  0  0  0
  9  7  1  0  0  0  0
 10  6  1  0  0  0  0
 11  4  1  0  0  0  0
 12  7  1  0  0  0  0
 13 12  1  0  0  0  0
 14  5  2  0  0  0  0
 15 11  2  0  0  0  0
 16 10  2  0  0  0  0
 17 13  2  0  0  0  0
 18 13  1  0  0  0  0
 19 11  1  0  0  0  0
 20 16  1  0  0  0  0
  6  4  2  0  0  0  0
  9  8  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (4,607)
4607

>  <Formula> (4,607)
C13H11N3O3S

>  <MolWeight> (4,607)
289.30974

>  <COMPOUND_NAME> (4,607)
WAY-650876

>  <BAR_CODE_NO> (4,607)
90485537

$$$$
WAY-650886
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -0.1708    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9500    0.7583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1708    1.8333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9500    1.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0875   -0.2792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4625   -0.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083   -1.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083   -3.0167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5750   -2.7625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5750   -1.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958   -2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6625    0.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6625    1.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708   -0.7250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3833    0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3833    1.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2417   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5208   -2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5542    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5542    1.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792    1.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7917    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  2  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9 12  2  0  0  0  0
 10 11  1  0  0  0  0
 11  8  2  0  0  0  0
 12  8  1  0  0  0  0
 13  2  1  0  0  0  0
 14  5  1  0  0  0  0
 15  7  2  0  0  0  0
 16  4  1  0  0  0  0
 17 13  2  0  0  0  0
 18 17  1  0  0  0  0
 19 11  1  0  0  0  0
 20 12  1  0  0  0  0
 21 16  1  0  0  0  0
 22 16  2  0  0  0  0
 23 22  1  0  0  0  0
 24 21  2  0  0  0  0
 25 23  2  0  0  0  0
  5  3  2  0  0  0  0
 18 14  2  0  0  0  0
 10  9  1  0  0  0  0
 25 24  1  0  0  0  0
M  END
>  <Mol_ID> (4,608)
4608

>  <Formula> (4,608)
C19H16N4O2

>  <MolWeight> (4,608)
332.35594

>  <COMPOUND_NAME> (4,608)
WAY-650886

>  <BAR_CODE_NO> (4,608)
90485547

$$$$
WAY-651023
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -0.4083    0.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3794    1.0592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3712    1.8817    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8928    1.4675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4104    2.1368    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6625    0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2652    2.1356    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7187    1.4618    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4427    2.1388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0487    0.5768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4708   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3873   -0.3879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6101    2.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1399    2.1765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9666    2.1650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1938    1.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2088    2.8674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3712    1.4446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3829    2.8731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1125   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4692    0.4313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6312   -0.7315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7999    0.9137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9619   -0.2491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0208    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7250   -0.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708   -1.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708   -1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  1  1  0  0  0  0
  7  9  3  0  0  0  0
  8  4  1  0  0  0  0
  9 13  1  0  0  0  0
 10  2  1  0  0  0  0
 11  6  2  0  0  0  0
 12 22  2  0  0  0  0
 13 17  1  0  0  0  0
 14  8  1  0  0  0  0
 15 14  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 15  2  0  0  0  0
 19 15  1  0  0  0  0
 20  6  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 10  1  0  0  0  0
 24 10  2  0  0  0  0
 25 11  1  0  0  0  0
 26 11  1  0  0  0  0
 27 20  2  0  0  0  0
 28 27  1  0  0  0  0
  3  5  1  0  0  0  0
 28 26  2  0  0  0  0
 12 21  1  0  0  0  0
 13 16  2  0  0  0  0
M  END
>  <Mol_ID> (4,609)
4609

>  <Formula> (4,609)
C22H17N5S

>  <MolWeight> (4,609)
383.46888

>  <COMPOUND_NAME> (4,609)
WAY-651023

>  <BAR_CODE_NO> (4,609)
90485685

$$$$
WAY-651026
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -0.6708   -3.9917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833   -3.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6125    2.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583    1.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542    0.2583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833   -4.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6000   -3.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6000   -4.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458   -2.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4500    1.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4208    2.7833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583    3.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458   -1.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167   -0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1125   -1.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2458   -2.3667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458   -5.4417    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    3.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3125    4.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375    4.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3000    3.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0417    4.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4 12  1  0  0  0  0
  5  7  1  0  0  0  0
  6  1  1  0  0  0  0
  7 17  1  0  0  0  0
  8  2  2  0  0  0  0
  9  6  2  0  0  0  0
 10  2  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13  5  1  0  0  0  0
 14  5  1  0  0  0  0
 15  3  2  0  0  0  0
 16  3  1  0  0  0  0
 17 19  1  0  0  0  0
 18  7  2  0  0  0  0
 19 10  1  0  0  0  0
 20 10  2  0  0  0  0
 21  6  1  0  0  0  0
 22 16  1  0  0  0  0
 23 16  2  0  0  0  0
 24 23  1  0  0  0  0
 25 22  2  0  0  0  0
 26 24  2  0  0  0  0
  8  9  1  0  0  0  0
  4 11  1  0  0  0  0
 26 25  1  0  0  0  0
M  END
>  <Mol_ID> (4,610)
4610

>  <Formula> (4,610)
C19H19ClN2O3S

>  <MolWeight> (4,610)
390.88376

>  <COMPOUND_NAME> (4,610)
WAY-651026

>  <BAR_CODE_NO> (4,610)
90485688

$$$$
WAY-651187
csChFnd80/06171916322D

 23 24  0  0  0  0  0  0  0  0999 V2000
   -0.4375   -0.6542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0250   -1.3667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667   -1.7792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667   -0.9542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792   -2.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8500    0.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4375    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8500    1.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2750   -0.2417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1583   -1.0667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4375    2.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6750    0.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6750    1.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0875    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7375   -0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292   -2.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1583    2.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2750    1.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0250    2.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0875   -0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  7  2  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8  1  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11  1  2  0  0  0  0
 12  1  2  0  0  0  0
 13 10  1  0  0  0  0
 14  8  2  0  0  0  0
 15 16  2  0  0  0  0
 16 14  1  0  0  0  0
 17  3  1  0  0  0  0
 18  6  1  0  0  0  0
 19  7  1  0  0  0  0
 20 13  1  0  0  0  0
 21 13  1  0  0  0  0
 22 13  1  0  0  0  0
 23 14  1  0  0  0  0
 15 10  1  0  0  0  0
  6  5  1  0  0  0  0
M  END
>  <Mol_ID> (4,611)
4611

>  <Formula> (4,611)
C17H25N3O2S

>  <MolWeight> (4,611)
335.4643

>  <COMPOUND_NAME> (4,611)
WAY-651187

>  <BAR_CODE_NO> (4,611)
90485851

$$$$
WAY-651223
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -0.0583   -0.3042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583    0.5208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7708   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8042   -1.9542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7708    0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4833   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4833    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0875   -1.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3917   -2.6667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5167   -2.3667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7708   -1.5417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7708    1.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2167   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0875   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3750   -1.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542   -1.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3750   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2000   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2000    0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583    2.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4833    2.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9125    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9125   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4833    2.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583    2.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7708    3.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  8  1  0  0  0  0
  5  2  2  0  0  0  0
  6  3  1  0  0  0  0
  7  6  2  0  0  0  0
  8 15  1  0  0  0  0
  9  1  1  0  0  0  0
 10  4  2  0  0  0  0
 11  4  2  0  0  0  0
 12  3  2  0  0  0  0
 13  5  1  0  0  0  0
 14  4  1  0  0  0  0
 15 18  2  0  0  0  0
 16 17  1  0  0  0  0
 17  9  2  0  0  0  0
 18  9  1  0  0  0  0
 19  6  1  0  0  0  0
 20  7  1  0  0  0  0
 21 13  1  0  0  0  0
 22 13  2  0  0  0  0
 23 24  1  0  0  0  0
 24 19  2  0  0  0  0
 25 22  1  0  0  0  0
 26 21  2  0  0  0  0
 27 25  2  0  0  0  0
  8 16  2  0  0  0  0
  7  5  1  0  0  0  0
 23 20  2  0  0  0  0
 27 26  1  0  0  0  0
M  END
>  <Mol_ID> (4,612)
4612

>  <Formula> (4,612)
C20H15N3O3S

>  <MolWeight> (4,612)
377.4164

>  <COMPOUND_NAME> (4,612)
WAY-651223

>  <BAR_CODE_NO> (4,612)
90485888

$$$$
WAY-651282
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
    0.6625    4.3542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6625    5.6917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1792    5.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583   -0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042    3.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917   -0.7875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4500    4.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4500    5.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708   -3.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708   -0.3417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4000    3.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9625    2.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5250   -3.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292   -2.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -2.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375   -1.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583    1.2250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917    0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1000    2.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917   -2.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5708   -1.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583    2.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042    2.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3333   -4.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0250   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333   -5.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5875   -4.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0375   -5.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  1  1  0  0  0  0
  4 18  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  2  0  0  0  0
  9 15  1  0  0  0  0
 10  4  2  0  0  0  0
 11  5  2  0  0  0  0
 12  5  1  0  0  0  0
 13  9  1  0  0  0  0
 14 20  1  0  0  0  0
 15 21  2  0  0  0  0
 16  6  1  0  0  0  0
 17 19  1  0  0  0  0
 18 17  1  0  0  0  0
 19 23  1  0  0  0  0
 20 16  2  0  0  0  0
 21 16  1  0  0  0  0
 22 11  1  0  0  0  0
 23 12  2  0  0  0  0
 24 13  1  0  0  0  0
 25 13  2  0  0  0  0
 26 25  1  0  0  0  0
 27 24  2  0  0  0  0
 28 26  2  0  0  0  0
  2  8  1  0  0  0  0
 19 22  2  0  0  0  0
  9 14  2  0  0  0  0
 28 27  1  0  0  0  0
M  END
>  <Mol_ID> (4,613)
4613

>  <Formula> (4,613)
C23H19N3O2

>  <MolWeight> (4,613)
369.41586

>  <COMPOUND_NAME> (4,613)
WAY-651282

>  <BAR_CODE_NO> (4,613)
90485947

$$$$
WAY-651296
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.7917   -2.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417   -1.6542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8375   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0917   -1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3125   -3.1042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542   -0.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5792   -2.6917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3250    0.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917   -3.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542    0.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5792   -3.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8375    1.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9000   -1.2125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5250    2.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6125    1.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1958    2.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417   -4.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083    3.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9458    2.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6208    2.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833    3.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5333    3.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  2  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8  3  2  0  0  0  0
  9  5  1  0  0  0  0
 10  6  1  0  0  0  0
 11  7  1  0  0  0  0
 12  8  1  0  0  0  0
 13  4  2  0  0  0  0
 14 15  1  0  0  0  0
 15 10  1  0  0  0  0
 16 14  1  0  0  0  0
 17  9  1  0  0  0  0
 18 16  1  0  0  0  0
 19 16  2  0  0  0  0
 20 19  1  0  0  0  0
 21 18  2  0  0  0  0
 22 20  2  0  0  0  0
 11  9  2  0  0  0  0
 10 12  2  0  0  0  0
 22 21  1  0  0  0  0
M  END
>  <Mol_ID> (4,614)
4614

>  <Formula> (4,614)
C16H14N2O3S

>  <MolWeight> (4,614)
314.35896

>  <COMPOUND_NAME> (4,614)
WAY-651296

>  <BAR_CODE_NO> (4,614)
90485962

$$$$
WAY-651359
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.5958    0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917    0.6083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958   -1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458   -0.4292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917    1.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5500   -1.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0750    1.0208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5958    1.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8625    1.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3583   -2.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5125   -0.8750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7750    2.7375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083   -1.3917    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0042   -2.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4417    3.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6167    1.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6083   -2.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500   -3.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917    2.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2792    2.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0583   -3.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9  5  1  0  0  0  0
 10  6  2  0  0  0  0
 11  3  2  0  0  0  0
 12  9  2  0  0  0  0
 13 10  1  0  0  0  0
 14  6  1  0  0  0  0
 15 12  1  0  0  0  0
 16  9  1  0  0  0  0
 17 10  1  0  0  0  0
 18 14  2  0  0  0  0
 19 20  1  0  0  0  0
 20 16  2  0  0  0  0
 21 18  1  0  0  0  0
  8  5  2  0  0  0  0
 21 17  2  0  0  0  0
 19 15  2  0  0  0  0
M  END
>  <Mol_ID> (4,615)
4615

>  <Formula> (4,615)
C15H10ClN3OS

>  <MolWeight> (4,615)
315.7774

>  <COMPOUND_NAME> (4,615)
WAY-651359

>  <BAR_CODE_NO> (4,615)
90486026

$$$$
WAY-651380
csChFnd80/06171916322D

 24 27  0  0  0  0  0  0  0  0999 V2000
    1.5500    0.0333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9250   -1.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1375    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4125   -0.7292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5500    1.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7875    0.7458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4125   -2.0625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1000   -1.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3750    0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3125   -0.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1958   -0.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3750    1.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1958   -1.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1375   -0.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3125    0.7458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1000    0.0333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1375    2.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9125   -0.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9125   -2.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7875    2.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5500    2.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6250   -1.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6250   -0.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3750    2.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  8  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  9  2  0  0  0  0
  7  2  1  0  0  0  0
  8 10  1  0  0  0  0
  9  1  1  0  0  0  0
 10 14  1  0  0  0  0
 11  4  1  0  0  0  0
 12  6  1  0  0  0  0
 13  7  1  0  0  0  0
 14  1  1  0  0  0  0
 15  3  2  0  0  0  0
 16 10  2  0  0  0  0
 17  5  1  0  0  0  0
 18 11  1  0  0  0  0
 19 13  1  0  0  0  0
 20 12  1  0  0  0  0
 21 17  2  0  0  0  0
 22 19  2  0  0  0  0
 23 18  2  0  0  0  0
 24 20  2  0  0  0  0
 12  5  2  0  0  0  0
 21 24  1  0  0  0  0
 13 11  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (4,616)
4616

>  <Formula> (4,616)
C17H12N4O2S

>  <MolWeight> (4,616)
336.36778

>  <COMPOUND_NAME> (4,616)
WAY-651380

>  <BAR_CODE_NO> (4,616)
90486047

$$$$
WAY-651400
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.2958    0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0375   -0.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958    1.6833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0750    0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0750    1.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667   -0.6042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.5875   -1.0500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7958    1.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0250   -1.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167    0.0083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7958    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5083    0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5083    1.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7958    2.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4750   -2.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8292   -1.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0750    3.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6792    0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0875   -2.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7292   -2.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5292   -2.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  2  0  0  0  0
  5  1  1  0  0  0  0
  6  5  2  0  0  0  0
  7  2  1  0  0  0  0
  8  2  2  0  0  0  0
  9  6  1  0  0  0  0
 10  7  1  0  0  0  0
 11  7  1  0  0  0  0
 12  5  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15  9  1  0  0  0  0
 16 10  1  0  0  0  0
 17 10  2  0  0  0  0
 18 11  1  0  0  0  0
 19 15  1  0  0  0  0
 20 18  1  0  0  0  0
 21 17  1  0  0  0  0
 22 16  2  0  0  0  0
 23 21  2  0  0  0  0
  6  3  1  0  0  0  0
 14  9  2  0  0  0  0
 23 22  1  0  0  0  0
M  END
>  <Mol_ID> (4,617)
4617

>  <Formula> (4,617)
C20H22N2O

>  <MolWeight> (4,617)
306.40148

>  <COMPOUND_NAME> (4,617)
WAY-651400

>  <BAR_CODE_NO> (4,617)
90486067

$$$$
WAY-651445
csChFnd80/06171916322D

 24 27  0  0  0  0  0  0  0  0999 V2000
    0.6099    0.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1176    0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6099   -0.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4099    0.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1176    1.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8659    0.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1176   -1.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4099   -0.9276    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.8858   -0.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6824    1.2483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8176    1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5306    1.9862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8659   -0.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7479   -0.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6038    2.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2306    2.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6038   -1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1824    0.4655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1824   -1.0034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3176   -0.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6038   -1.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0659   -1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3176   -2.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0659   -1.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 14 19  2  0  0  0  0
 17 20  1  0  0  0  0
 17 21  2  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
  7 13  2  0  0  0  0
  8  9  1  0  0  0  0
 15 16  2  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (4,618)
4618

>  <Formula> (4,618)
C18H13N3O2S

>  <MolWeight> (4,618)
335.37972

>  <COMPOUND_NAME> (4,618)
WAY-651445

>  <BAR_CODE_NO> (4,618)
90486112

$$$$
WAY-651492
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -2.5682   -1.6581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5682   -0.5547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5131   -1.9926    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5200   -2.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5200   -0.2133    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5269   -0.0098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8717   -1.0995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4786   -1.6684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4820   -0.5616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2283   -1.0926    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7731   -0.1374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8800   -0.1340    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2214    0.8109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4283    0.8178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5283    0.8247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8697    1.7695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0835    1.7764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0869   -0.1271    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.7281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5249    2.7316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  6  9  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  2  0  0  0  0
 17 20  2  0  0  0  0
  5  7  2  0  0  0  0
  8  9  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (4,619)
4619

>  <Formula> (4,619)
C14H11FN4O

>  <MolWeight> (4,619)
270.2617432

>  <COMPOUND_NAME> (4,619)
WAY-651492

>  <BAR_CODE_NO> (4,619)
90486161

$$$$
WAY-651526
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    0.5917    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917    0.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3125   -0.2792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208    1.3708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208   -0.2792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8333    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0250    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0250    0.9583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3125    1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8333    0.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6333   -1.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.7375   -0.2792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458    1.3708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3125    2.1958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3000    0.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8583   -0.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3125   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208    2.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917   -1.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917   -2.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208   -2.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  2  0  0  0  0
  7  3  1  0  0  0  0
  8  7  1  0  0  0  0
  9  2  1  0  0  0  0
 10  6  1  0  0  0  0
 11  6  1  0  0  0  0
 12 11  1  0  0  0  0
 13  7  2  0  0  0  0
 14 10  2  0  0  0  0
 15  9  2  0  0  0  0
 16 11  2  0  0  0  0
 17 12  1  0  0  0  0
 18 16  1  0  0  0  0
 19  3  1  0  0  0  0
 20  4  1  0  0  0  0
 21 19  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
  8  9  1  0  0  0  0
 10  4  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (4,620)
4620

>  <Formula> (4,620)
C15H16N4O3S

>  <MolWeight> (4,620)
332.37754

>  <COMPOUND_NAME> (4,620)
WAY-651526

>  <BAR_CODE_NO> (4,620)
90486195

$$$$
WAY-651596
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.3125    0.9458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1000    0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3125    1.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3583   -0.0917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5833    1.3583    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1000    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667    3.0708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042   -0.5417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0583   -1.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083   -2.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6000   -3.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1500   -3.9500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542   -2.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083   -3.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583   -2.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042   -1.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292    3.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042    1.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6875    3.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7750    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  2  0  0  0  0
  7  4  1  0  0  0  0
  8  3  1  0  0  0  0
  9  8  2  0  0  0  0
 10  7  2  0  0  0  0
 11  7  1  0  0  0  0
 12 11  1  0  0  0  0
 13 15  1  0  0  0  0
 14 13  1  0  0  0  0
 15 18  2  0  0  0  0
 16 17  1  0  0  0  0
 17 12  2  0  0  0  0
 18 12  1  0  0  0  0
 19  9  1  0  0  0  0
 20  8  1  0  0  0  0
 21 22  1  0  0  0  0
 22 20  2  0  0  0  0
  5  6  1  0  0  0  0
 21 19  2  0  0  0  0
 13 16  2  0  0  0  0
M  END
>  <Mol_ID> (4,621)
4621

>  <Formula> (4,621)
C16H12FN3OS

>  <MolWeight> (4,621)
313.3493832

>  <COMPOUND_NAME> (4,621)
WAY-651596

>  <BAR_CODE_NO> (4,621)
90486265

$$$$
CL-212170
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -4.1427   -2.0822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6841   -1.5996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1427   -3.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4820   -1.3068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7731   -2.8522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2015   -0.1356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6841   -4.0885    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4820   -4.3921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8322   -2.0822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7103    0.1627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2317    0.9977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8322   -3.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2277    1.6321    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3037   -0.9543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2580    1.9521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2937    0.8134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7406    3.4215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8065    1.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2534    3.7469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2837    2.6082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7965    2.9118    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8322    1.7731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2737    4.3921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  6 10  1  0  0  0  0
  6 11  2  0  0  0  0
  8 12  2  0  0  0  0
 10 13  1  0  0  0  0
 10 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
  5  7  1  0  0  0  0
  9 12  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (4,622)
4622

>  <Formula> (4,622)
C18H17N3O2

>  <MolWeight> (4,622)
307.34648

>  <COMPOUND_NAME> (4,622)
CL-212170

>  <BAR_CODE_NO> (4,622)
396139

$$$$
GI-523358
csChFnd80/06171916322D

 17 19  0  0  0  0  0  0  0  0999 V2000
    1.0116    0.4093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1013   -0.0769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0495   -0.2769    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6426    1.5507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2185   -1.2597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0599    0.6058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8953    0.4196    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5298    1.5507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3116   -1.7597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1530    0.1196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0539    0.1852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2702   -1.0631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4470   -0.9321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8436    1.0921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6160   -1.1700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0125    0.8679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4194   -0.2631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
  7  8  1  0  0  0  0
 10 12  2  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (4,623)
4623

>  <Formula> (4,623)
C15H14N2

>  <MolWeight> (4,623)
222.28506

>  <COMPOUND_NAME> (4,623)
GI-523358

>  <BAR_CODE_NO> (4,623)
90434856

$$$$
GI-555736
csChFnd80/06171916322D

 16 18  0  0  0  0  0  0  0  0999 V2000
   -0.9759    0.7276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4034    0.2862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9759    2.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2483   -0.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9345   -1.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2621    1.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4034    2.6483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2483    2.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5172    0.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3621   -1.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0034   -2.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7345    1.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5172    2.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8931   -2.6621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5241   -3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9621   -3.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  8 13  2  0  0  0  0
 10 14  2  0  0  0  0
 11 15  1  0  0  0  0
 14 16  1  0  0  0  0
  6  7  2  0  0  0  0
  9 13  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <Mol_ID> (4,624)
4624

>  <Formula> (4,624)
C14H12N2

>  <MolWeight> (4,624)
208.25848

>  <COMPOUND_NAME> (4,624)
GI-555736

>  <BAR_CODE_NO> (4,624)
396598

$$$$
SD-220651
csChFnd80/06171916322D

 16 21  0  0  0  0  0  0  0  0999 V2000
    0.5737   -0.5770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2266   -0.1550    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.6957    1.1013    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.1135   -0.5638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1055   -2.0443    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1201    1.9718    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.0410   -0.6825    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.1748    2.2026    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.0231    0.4616    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.6015   -2.0278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3585   -2.9444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6015    0.8639    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.0429   -1.1145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5243    2.9444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0881    1.3189    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.0320   -2.3740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 13 16  2  0  0  0  0
  6  8  1  0  0  0  0
  7 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 12 15  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (4,625)
4625

>  <Formula> (4,625)
C13H14O3

>  <MolWeight> (4,625)
218.24846

>  <COMPOUND_NAME> (4,625)
SD-220651

>  <BAR_CODE_NO> (4,625)
90434164

$$$$
SD-90118
csChFnd80/06171916322D

 19 22  0  0  0  0  0  0  0  0999 V2000
    0.2140    0.7966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4412   -0.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6105    0.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5101    1.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8377   -0.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2830   -1.6138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3450   -0.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2761    2.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1485    3.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5722    0.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5032   -1.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6795   -1.5759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7209   -0.5966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5450    3.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9722    0.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8998   -1.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6450   -2.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9036   -1.9828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6343   -0.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
 10 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 13 18  1  0  0  0  0
 15 19  1  0  0  0  0
  7 12  1  0  0  0  0
  9 14  2  0  0  0  0
 16 19  2  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (4,626)
4626

>  <Formula> (4,626)
C15H10N4

>  <MolWeight> (4,626)
246.2667

>  <COMPOUND_NAME> (4,626)
SD-90118

>  <BAR_CODE_NO> (4,626)
90434921

$$$$
SD-91193
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -0.7833    1.9458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    2.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6667    1.8958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708    1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5125    1.5333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042    2.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2458    1.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9708    1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4625    3.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0958    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7208    1.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9000    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3208    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    4.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208    0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542    3.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542    4.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4875    3.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  2  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  6  2  0  0  0  0
  9  8  1  0  0  0  0
 10  2  2  0  0  0  0
 11  9  1  0  0  0  0
 12  9  2  0  0  0  0
 13 11  1  0  0  0  0
 14 12  1  0  0  0  0
 15  5  1  0  0  0  0
 16  4  1  0  0  0  0
 17  7  1  0  0  0  0
 18 15  2  0  0  0  0
 19 17  2  0  0  0  0
  5  7  2  0  0  0  0
 14 13  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (4,627)
4627

>  <Formula> (4,627)
C14H11N3O2

>  <MolWeight> (4,627)
253.25604

>  <COMPOUND_NAME> (4,627)
SD-91193

>  <BAR_CODE_NO> (4,627)
90434349

$$$$
WAY-110555
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    1.2021    0.3254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4521    0.3824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5381   -0.3496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6341    0.9464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0369   -0.1816    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0591    1.0214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2701   -0.4066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3841    0.8894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7299    0.1004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6729    0.8504    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.7021    0.2144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6091   -1.0816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3689   -0.2926    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4521    0.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3591   -1.1356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0229    0.0644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7881   -0.5176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6619   -0.3316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0439    0.8144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3369    0.0254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9729   -0.3676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9549   -1.1176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6479   -0.0106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 15 17  1  0  0  0  0
  9 10  1  0  0  0  0
 11  8  2  0  0  0  0
 21 23  2  0  0  0  0
 21 22  1  0  0  0  0
 20 21  1  0  0  0  0
 18 20  1  0  0  0  0
 16 19  2  0  0  0  0
 16 18  1  0  0  0  0
 17 14  2  0  0  0  0
 13 16  1  0  0  0  0
 12 15  2  0  0  0  0
 11 14  1  0  0  0  0
  9 13  1  0  0  0  0
  7 12  1  0  0  0  0
  7 11  1  0  0  0  0
  6 10  1  0  0  0  0
  9  5  2  0  0  0  0
  4  8  1  0  0  0  0
  3  7  2  0  0  0  0
  2  6  2  0  0  0  0
  2  5  1  0  0  0  0
  4  1  2  0  0  0  0
  1  3  1  0  0  0  0
  1  2  1  0  0  0  0
M  END
>  <Mol_ID> (4,628)
4628

>  <Formula> (4,628)
C17H14N2O3S

>  <MolWeight> (4,628)
326.36966

>  <COMPOUND_NAME> (4,628)
WAY-110555

>  <BAR_CODE_NO> (4,628)
396618

$$$$
WAY-269114
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -3.1958    2.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208    1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9250    2.6833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7083    1.5958    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7125    2.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1375    1.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0208    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458    2.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583    2.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667    2.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4250    1.5333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4375    2.9625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5875    1.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792    2.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9750    3.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8167    2.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4125    1.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4042    2.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6500    2.2833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2583    1.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0083    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0667    1.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6583    0.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4083    0.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  2  0  0  0  0
  6  2  2  0  0  0  0
  7  1  1  0  0  0  0
  8  3  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11  7  1  0  0  0  0
 12  7  2  0  0  0  0
 13 10  2  0  0  0  0
 14 10  1  0  0  0  0
 15  5  1  0  0  0  0
 16 18  1  0  0  0  0
 17 13  1  0  0  0  0
 18 14  2  0  0  0  0
 19 16  1  0  0  0  0
 20 11  1  0  0  0  0
 21 11  1  0  0  0  0
 22 19  1  0  0  0  0
 23 20  1  0  0  0  0
 24 21  1  0  0  0  0
  2  3  1  0  0  0  0
  9  6  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (4,629)
4629

>  <Formula> (4,629)
C18H21N3O2S

>  <MolWeight> (4,629)
343.44324

>  <COMPOUND_NAME> (4,629)
WAY-269114

>  <BAR_CODE_NO> (4,629)
394983

$$$$
WAY-269270
csChFnd80/06171916322D

 33 36  0  0  0  0  0  0  0  0999 V2000
   -9.0917   -2.4500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6292   -1.7167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7500   -4.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.4000    6.3292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9792   -1.3167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
  -10.3792   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7292    0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1792   -4.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3417   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.8792    4.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6833   -3.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0333   -3.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4792    1.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8000    5.8417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.9292    7.9292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4792   -6.0667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9792   -5.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9583   -3.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0333   -1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3833   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8500   -5.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5333   -4.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7333   -0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1000    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9792    2.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7292    3.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0000    6.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.2292    1.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1000    3.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3500   -4.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3833   -2.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6833   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6833   -3.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4 10  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  2  0  0  0  0
  7  5  1  0  0  0  0
  8  3  1  0  0  0  0
  9  5  1  0  0  0  0
 10 26  1  0  0  0  0
 11  9  2  0  0  0  0
 12 11  1  0  0  0  0
 13  6  1  0  0  0  0
 14  4  2  0  0  0  0
 15  4  2  0  0  0  0
 16  8  1  0  0  0  0
 17  3  2  0  0  0  0
 18  8  2  0  0  0  0
 19 23  1  0  0  0  0
 20  9  1  0  0  0  0
 21 16  1  0  0  0  0
 22 18  1  0  0  0  0
 23 20  2  0  0  0  0
 24 13  1  0  0  0  0
 25 13  2  0  0  0  0
 26 29  2  0  0  0  0
 27  4  1  0  0  0  0
 28 24  2  0  0  0  0
 29 25  1  0  0  0  0
 30 12  1  0  0  0  0
 31 19  1  0  0  0  0
 32 30  1  0  0  0  0
 33 31  1  0  0  0  0
  7  6  1  0  0  0  0
 21 22  2  0  0  0  0
 19 12  2  0  0  0  0
 26 28  1  0  0  0  0
M  END
>  <Mol_ID> (4,630)
4630

>  <Formula> (4,630)
C23H23N3O6S

>  <MolWeight> (4,630)
469.51022

>  <COMPOUND_NAME> (4,630)
WAY-269270

>  <BAR_CODE_NO> (4,630)
395139

$$$$
WAY-269271
csChFnd80/06171916322D

 33 36  0  0  0  0  0  0  0  0999 V2000
   -9.0917   -2.4500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6292   -1.7167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7500   -4.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.4000    6.3292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9792   -1.3167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
  -10.3792   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7292    0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1792   -4.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3417   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.8792    4.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4792   -6.0667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6833   -3.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0333   -3.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4792    1.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.9292    7.9292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8000    5.8417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9792   -5.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9583   -3.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0333   -1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8500   -5.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3833   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5333   -4.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7333   -0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1000    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9792    2.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7292    3.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0000    6.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.2292    1.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1000    3.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3500   -4.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3833   -2.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6833   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6833   -3.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4 10  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  2  0  0  0  0
  7  5  1  0  0  0  0
  8  3  1  0  0  0  0
  9  5  1  0  0  0  0
 10 26  1  0  0  0  0
 11  8  1  0  0  0  0
 12  9  2  0  0  0  0
 13 12  1  0  0  0  0
 14  6  1  0  0  0  0
 15  4  2  0  0  0  0
 16  4  2  0  0  0  0
 17  3  2  0  0  0  0
 18  8  2  0  0  0  0
 19 23  1  0  0  0  0
 20 11  1  0  0  0  0
 21  9  1  0  0  0  0
 22 18  1  0  0  0  0
 23 21  2  0  0  0  0
 24 14  1  0  0  0  0
 25 14  2  0  0  0  0
 26 29  2  0  0  0  0
 27  4  1  0  0  0  0
 28 24  2  0  0  0  0
 29 25  1  0  0  0  0
 30 13  1  0  0  0  0
 31 19  1  0  0  0  0
 32 30  1  0  0  0  0
 33 31  1  0  0  0  0
  7  6  1  0  0  0  0
 20 22  2  0  0  0  0
 19 13  2  0  0  0  0
 26 28  1  0  0  0  0
M  END
>  <Mol_ID> (4,631)
4631

>  <Formula> (4,631)
C23H23N3O5S2

>  <MolWeight> (4,631)
485.57582

>  <COMPOUND_NAME> (4,631)
WAY-269271

>  <BAR_CODE_NO> (4,631)
395140

$$$$
WAY-269272
csChFnd80/06171916322D

 34 37  0  0  0  0  0  0  0  0999 V2000
   -9.0917   -2.4500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6292   -1.7167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -14.4000    6.3292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9792   -1.3167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -8.7500   -4.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3792   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7292    0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3417   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.8792    4.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6833   -3.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0333   -3.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4792    1.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.9292    7.9292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8000    5.8417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9792   -5.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1792   -4.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0333   -1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3833   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7333   -0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1000    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9792    2.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7292    3.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0000    6.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.2292    1.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1000    3.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3500   -4.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3833   -2.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7917   -6.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9583   -3.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6833   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6833   -3.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3833   -3.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2333   -6.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0333   -5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  9  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  2  0  0  0  0
  7  4  1  0  0  0  0
  8  4  1  0  0  0  0
  9 22  1  0  0  0  0
 10  8  2  0  0  0  0
 11 10  1  0  0  0  0
 12  6  1  0  0  0  0
 13  3  2  0  0  0  0
 14  3  2  0  0  0  0
 15  5  2  0  0  0  0
 16  5  1  0  0  0  0
 17 19  1  0  0  0  0
 18  8  1  0  0  0  0
 19 18  2  0  0  0  0
 20 12  1  0  0  0  0
 21 12  2  0  0  0  0
 22 25  2  0  0  0  0
 23  3  1  0  0  0  0
 24 20  2  0  0  0  0
 25 21  1  0  0  0  0
 26 11  1  0  0  0  0
 27 17  1  0  0  0  0
 28 16  2  0  0  0  0
 29 16  1  0  0  0  0
 30 26  1  0  0  0  0
 31 27  1  0  0  0  0
 32 29  2  0  0  0  0
 33 28  1  0  0  0  0
 34 32  1  0  0  0  0
  7  6  1  0  0  0  0
 33 34  2  0  0  0  0
 17 11  2  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <Mol_ID> (4,632)
4632

>  <Formula> (4,632)
C25H25N3O5S

>  <MolWeight> (4,632)
479.5481

>  <COMPOUND_NAME> (4,632)
WAY-269272

>  <BAR_CODE_NO> (4,632)
395141

$$$$
WAY-269273
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
    8.6792  -13.4417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6167  -12.9375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4792  -12.6542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.9250  -14.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9625   -7.3042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.7917  -11.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9542  -11.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6250  -12.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0375  -14.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6417   -8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0125  -10.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0792   -7.6250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2917   -6.1667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5167  -16.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0667  -15.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4042  -12.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8875  -14.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6542  -15.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8875  -14.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3625   -9.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8750  -11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4500   -9.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8417   -6.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5750   -8.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0917  -10.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0625  -10.9417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9875  -14.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5292  -12.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9292  -10.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1125  -14.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9000  -13.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5 10  1  0  0  0  0
  6  2  2  0  0  0  0
  7  3  1  0  0  0  0
  8  3  1  0  0  0  0
  9  4  1  0  0  0  0
 10 22  1  0  0  0  0
 11  6  1  0  0  0  0
 12  5  2  0  0  0  0
 13  5  2  0  0  0  0
 14  9  1  0  0  0  0
 15  4  2  0  0  0  0
 16  8  1  0  0  0  0
 17  9  2  0  0  0  0
 18 14  1  0  0  0  0
 19 17  1  0  0  0  0
 20 11  2  0  0  0  0
 21 11  1  0  0  0  0
 22 25  1  0  0  0  0
 23  5  1  0  0  0  0
 24 20  1  0  0  0  0
 25 21  2  0  0  0  0
 26 16  1  0  0  0  0
 27  8  2  0  0  0  0
 28 16  2  0  0  0  0
 29 26  1  0  0  0  0
 30 27  1  0  0  0  0
 31 30  2  0  0  0  0
  7  6  1  0  0  0  0
 18 19  2  0  0  0  0
 31 28  1  0  0  0  0
 22 24  2  0  0  0  0
M  END
>  <Mol_ID> (4,633)
4633

>  <Formula> (4,633)
C22H21N3O5S

>  <MolWeight> (4,633)
439.48424

>  <COMPOUND_NAME> (4,633)
WAY-269273

>  <BAR_CODE_NO> (4,633)
395142

$$$$
WAY-269274
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
    8.6792  -13.4417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6167  -12.9375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4792  -12.6542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.9250  -14.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9625   -7.3042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.7917  -11.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9542  -11.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6250  -12.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0375  -14.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6417   -8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5167  -16.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.0125  -10.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2917   -6.1667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0792   -7.6250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0667  -15.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4042  -12.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8875  -14.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6542  -15.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8875  -14.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3625   -9.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8750  -11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4500   -9.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8417   -6.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5750   -8.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0917  -10.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0625  -10.9417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9875  -14.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5292  -12.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9292  -10.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1125  -14.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9000  -13.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5 10  1  0  0  0  0
  6  2  2  0  0  0  0
  7  3  1  0  0  0  0
  8  3  1  0  0  0  0
  9  4  1  0  0  0  0
 10 22  1  0  0  0  0
 11  9  1  0  0  0  0
 12  6  1  0  0  0  0
 13  5  2  0  0  0  0
 14  5  2  0  0  0  0
 15  4  2  0  0  0  0
 16  8  1  0  0  0  0
 17  9  2  0  0  0  0
 18 11  1  0  0  0  0
 19 17  1  0  0  0  0
 20 12  2  0  0  0  0
 21 12  1  0  0  0  0
 22 25  1  0  0  0  0
 23  5  1  0  0  0  0
 24 20  1  0  0  0  0
 25 21  2  0  0  0  0
 26 16  1  0  0  0  0
 27  8  2  0  0  0  0
 28 16  2  0  0  0  0
 29 26  1  0  0  0  0
 30 27  1  0  0  0  0
 31 30  2  0  0  0  0
  7  6  1  0  0  0  0
 18 19  2  0  0  0  0
 31 28  1  0  0  0  0
 22 24  2  0  0  0  0
M  END
>  <Mol_ID> (4,634)
4634

>  <Formula> (4,634)
C22H21N3O4S2

>  <MolWeight> (4,634)
455.54984

>  <COMPOUND_NAME> (4,634)
WAY-269274

>  <BAR_CODE_NO> (4,634)
395143

$$$$
WAY-269275
csChFnd80/06171916322D

 32 35  0  0  0  0  0  0  0  0999 V2000
    8.5000  -13.0875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4625  -12.5750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2792  -12.3000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8542   -7.0542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.7417  -14.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6292  -11.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7667  -11.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3917  -12.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5375   -8.1292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8667  -10.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1792   -5.9375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9542   -7.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8917  -14.9792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8375  -14.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0750  -11.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2042   -9.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7500  -10.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3292   -8.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7542   -6.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4375   -8.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9875  -10.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6167  -10.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8667  -13.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2042  -11.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0792  -15.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6667  -13.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4875  -10.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0042  -13.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6792  -12.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1750  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7500  -14.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0042  -15.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  9  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  2  0  0  0  0
  7  3  1  0  0  0  0
  8  3  1  0  0  0  0
  9 18  1  0  0  0  0
 10  6  1  0  0  0  0
 11  4  2  0  0  0  0
 12  4  2  0  0  0  0
 13  5  2  0  0  0  0
 14  5  1  0  0  0  0
 15  8  1  0  0  0  0
 16 10  2  0  0  0  0
 17 10  1  0  0  0  0
 18 21  1  0  0  0  0
 19  4  1  0  0  0  0
 20 16  1  0  0  0  0
 21 17  2  0  0  0  0
 22 15  1  0  0  0  0
 23  8  2  0  0  0  0
 24 15  2  0  0  0  0
 25 14  2  0  0  0  0
 26 14  1  0  0  0  0
 27 22  1  0  0  0  0
 28 23  1  0  0  0  0
 29 28  2  0  0  0  0
 30 25  1  0  0  0  0
 31 26  2  0  0  0  0
 32 31  1  0  0  0  0
  7  6  1  0  0  0  0
 30 32  2  0  0  0  0
 29 24  1  0  0  0  0
 18 20  2  0  0  0  0
M  END
>  <Mol_ID> (4,635)
4635

>  <Formula> (4,635)
C24H23N3O4S

>  <MolWeight> (4,635)
449.52212

>  <COMPOUND_NAME> (4,635)
WAY-269275

>  <BAR_CODE_NO> (4,635)
395144

$$$$
WAY-269276
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
    8.0667  -12.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0875  -12.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8125  -11.7667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.5667  -13.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6125   -6.7917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.8750  -11.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2500  -10.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3250  -10.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1500  -14.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3167   -7.8042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8792  -15.4167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.5167  -10.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9250   -5.7375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6542   -7.0917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4875  -13.5167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6042  -11.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2042  -13.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2250  -14.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7750  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6000  -15.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8417   -9.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4625  -10.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0667   -8.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5667   -6.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2792  -10.1500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.4875  -13.8292    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.1125   -8.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7375   -9.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9917  -12.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2625  -13.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6417  -11.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5 10  1  0  0  0  0
  6  3  1  0  0  0  0
  7  2  2  0  0  0  0
  8  3  1  0  0  0  0
  9  4  1  0  0  0  0
 10 23  1  0  0  0  0
 11  9  1  0  0  0  0
 12  7  1  0  0  0  0
 13  5  2  0  0  0  0
 14  5  2  0  0  0  0
 15  4  2  0  0  0  0
 16  6  1  0  0  0  0
 17  6  2  0  0  0  0
 18  9  2  0  0  0  0
 19 11  1  0  0  0  0
 20 18  1  0  0  0  0
 21 12  2  0  0  0  0
 22 12  1  0  0  0  0
 23 28  1  0  0  0  0
 24  5  1  0  0  0  0
 25 16  1  0  0  0  0
 26 17  1  0  0  0  0
 27 21  1  0  0  0  0
 28 22  2  0  0  0  0
 29 30  2  0  0  0  0
 30 17  1  0  0  0  0
 31 16  2  0  0  0  0
  8  7  1  0  0  0  0
 19 20  2  0  0  0  0
 31 29  1  0  0  0  0
 27 23  2  0  0  0  0
M  END
>  <Mol_ID> (4,636)
4636

>  <Formula> (4,636)
C21H17ClFN3O3S2

>  <MolWeight> (4,636)
477.9593832

>  <COMPOUND_NAME> (4,636)
WAY-269276

>  <BAR_CODE_NO> (4,636)
395145

$$$$
WAY-269277
csChFnd80/06171916322D

 32 35  0  0  0  0  0  0  0  0999 V2000
    8.6625  -13.4417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6042  -12.9375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4625  -12.6542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.9042  -14.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9417   -7.3042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.7792  -11.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9375  -11.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5792  -12.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0167  -14.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6250   -8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9917  -10.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0667   -7.6250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2792   -6.1667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000  -16.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0417  -15.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2792  -11.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8667  -14.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6417  -15.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8667  -14.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3417   -9.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8542  -11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4292   -9.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8250   -6.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5542   -8.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0792  -10.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8167  -10.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0750  -13.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4417  -11.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6667  -10.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2292  -13.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3625   -9.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9167  -13.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5 10  1  0  0  0  0
  6  2  2  0  0  0  0
  7  3  1  0  0  0  0
  8  3  1  0  0  0  0
  9  4  1  0  0  0  0
 10 22  1  0  0  0  0
 11  6  1  0  0  0  0
 12  5  2  0  0  0  0
 13  5  2  0  0  0  0
 14  9  1  0  0  0  0
 15  4  2  0  0  0  0
 16  8  1  0  0  0  0
 17  9  2  0  0  0  0
 18 14  1  0  0  0  0
 19 17  1  0  0  0  0
 20 11  2  0  0  0  0
 21 11  1  0  0  0  0
 22 25  1  0  0  0  0
 23  5  1  0  0  0  0
 24 20  1  0  0  0  0
 25 21  2  0  0  0  0
 26 16  1  0  0  0  0
 27  8  2  0  0  0  0
 28 16  2  0  0  0  0
 29 26  1  0  0  0  0
 30 27  1  0  0  0  0
 31 29  1  0  0  0  0
 32 30  2  0  0  0  0
  7  6  1  0  0  0  0
 18 19  2  0  0  0  0
 32 28  1  0  0  0  0
 22 24  2  0  0  0  0
M  END
>  <Mol_ID> (4,637)
4637

>  <Formula> (4,637)
C23H23N3O5S

>  <MolWeight> (4,637)
453.51082

>  <COMPOUND_NAME> (4,637)
WAY-269277

>  <BAR_CODE_NO> (4,637)
395146

$$$$
WAY-269278
csChFnd80/06171916322D

 32 35  0  0  0  0  0  0  0  0999 V2000
    8.6625  -13.4417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6042  -12.9375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4625  -12.6542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.9042  -14.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9417   -7.3042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.7792  -11.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9375  -11.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5792  -12.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0167  -14.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6250   -8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000  -16.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.9917  -10.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2792   -6.1667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0667   -7.6250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0417  -15.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2792  -11.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8667  -14.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6417  -15.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8667  -14.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3417   -9.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8542  -11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4292   -9.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8250   -6.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5542   -8.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0792  -10.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8167  -10.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0750  -13.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4417  -11.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6667  -10.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2292  -13.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3625   -9.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9167  -13.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5 10  1  0  0  0  0
  6  2  2  0  0  0  0
  7  3  1  0  0  0  0
  8  3  1  0  0  0  0
  9  4  1  0  0  0  0
 10 22  1  0  0  0  0
 11  9  1  0  0  0  0
 12  6  1  0  0  0  0
 13  5  2  0  0  0  0
 14  5  2  0  0  0  0
 15  4  2  0  0  0  0
 16  8  1  0  0  0  0
 17  9  2  0  0  0  0
 18 11  1  0  0  0  0
 19 17  1  0  0  0  0
 20 12  2  0  0  0  0
 21 12  1  0  0  0  0
 22 25  1  0  0  0  0
 23  5  1  0  0  0  0
 24 20  1  0  0  0  0
 25 21  2  0  0  0  0
 26 16  1  0  0  0  0
 27  8  2  0  0  0  0
 28 16  2  0  0  0  0
 29 26  1  0  0  0  0
 30 27  1  0  0  0  0
 31 29  1  0  0  0  0
 32 30  2  0  0  0  0
  7  6  1  0  0  0  0
 18 19  2  0  0  0  0
 32 28  1  0  0  0  0
 22 24  2  0  0  0  0
M  END
>  <Mol_ID> (4,638)
4638

>  <Formula> (4,638)
C23H23N3O4S2

>  <MolWeight> (4,638)
469.57642

>  <COMPOUND_NAME> (4,638)
WAY-269278

>  <BAR_CODE_NO> (4,638)
395147

$$$$
WAY-269279
csChFnd80/06171916322D

 33 36  0  0  0  0  0  0  0  0999 V2000
    8.1875  -13.4417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1292  -12.9375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9875  -12.6542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.4292  -14.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4667   -7.3042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.3042  -11.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1167  -12.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4625  -11.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5500  -14.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8125  -11.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1500   -8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5250  -10.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5917   -7.6250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8042   -6.1667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0292  -16.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5750  -15.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3917  -14.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9667  -11.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1667  -15.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3917  -14.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8750   -9.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3792  -11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9542   -9.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3500   -6.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3417  -10.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6000  -13.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0792   -8.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6042  -10.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6375  -11.0292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7542  -13.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4417  -13.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1917  -10.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1667   -9.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5 11  1  0  0  0  0
  6  2  2  0  0  0  0
  7  3  1  0  0  0  0
  8  3  1  0  0  0  0
  9  4  1  0  0  0  0
 10  7  1  0  0  0  0
 11 23  1  0  0  0  0
 12  6  1  0  0  0  0
 13  5  2  0  0  0  0
 14  5  2  0  0  0  0
 15  9  1  0  0  0  0
 16  4  2  0  0  0  0
 17  9  2  0  0  0  0
 18 10  2  0  0  0  0
 19 15  1  0  0  0  0
 20 17  1  0  0  0  0
 21 12  2  0  0  0  0
 22 12  1  0  0  0  0
 23 28  1  0  0  0  0
 24  5  1  0  0  0  0
 25 10  1  0  0  0  0
 26  7  2  0  0  0  0
 27 21  1  0  0  0  0
 28 22  2  0  0  0  0
 29 18  1  0  0  0  0
 30 26  1  0  0  0  0
 31 30  2  0  0  0  0
 32 25  1  0  0  0  0
 33 29  1  0  0  0  0
  8  6  1  0  0  0  0
 19 20  2  0  0  0  0
 31 18  1  0  0  0  0
 27 23  2  0  0  0  0
M  END
>  <Mol_ID> (4,639)
4639

>  <Formula> (4,639)
C23H23N3O6S

>  <MolWeight> (4,639)
469.51022

>  <COMPOUND_NAME> (4,639)
WAY-269279

>  <BAR_CODE_NO> (4,639)
395148

$$$$
WAY-269280
csChFnd80/06171916322D

 33 36  0  0  0  0  0  0  0  0999 V2000
    5.4375   -9.4667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1167   -8.8375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6792  -10.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8500   -1.8792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.4125   -8.4917    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.3375   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7625   -7.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5750  -11.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4375   -3.2292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3750   -6.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2375   -2.2792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542   -0.4792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0125  -11.3792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8167  -13.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8167   -8.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9750   -6.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -5.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4292   -4.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5375   -1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7167  -14.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000   -5.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8417   -3.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2375  -11.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9667  -15.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292  -12.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4042   -9.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6667   -7.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3667  -13.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3042  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833   -0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8292  -10.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0917   -7.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6917   -8.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  9  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  2  0  0  0  0
  7  5  1  0  0  0  0
  8  3  1  0  0  0  0
  9 18  1  0  0  0  0
 10  6  1  0  0  0  0
 11  4  2  0  0  0  0
 12  4  2  0  0  0  0
 13  3  2  0  0  0  0
 14  8  1  0  0  0  0
 15  5  1  0  0  0  0
 16 10  1  0  0  0  0
 17 10  2  0  0  0  0
 18 22  2  0  0  0  0
 19  4  1  0  0  0  0
 20 14  2  0  0  0  0
 21 16  2  0  0  0  0
 22 17  1  0  0  0  0
 23  8  2  0  0  0  0
 24 20  1  0  0  0  0
 25 23  1  0  0  0  0
 26 15  2  0  0  0  0
 27 15  1  0  0  0  0
 28 25  2  0  0  0  0
 29 24  1  0  0  0  0
 30 19  1  0  0  0  0
 31 26  1  0  0  0  0
 32 27  2  0  0  0  0
 33 32  1  0  0  0  0
  7  6  1  0  0  0  0
 33 31  2  0  0  0  0
 28 20  1  0  0  0  0
 18 21  1  0  0  0  0
M  END
>  <Mol_ID> (4,640)
4640

>  <Formula> (4,640)
C25H25N3O4S

>  <MolWeight> (4,640)
463.5487

>  <COMPOUND_NAME> (4,640)
WAY-269280

>  <BAR_CODE_NO> (4,640)
395149

$$$$
WAY-269281
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
    8.0167  -11.4417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6292  -10.7792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2792  -12.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1375   -3.3792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.0667  -10.4125    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.8542   -9.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3792   -9.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1042  -13.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7125   -4.8167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8292   -8.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6042   -3.8042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5750   -1.8917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2042  -15.4375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7000  -13.4792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6375  -13.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5500  -10.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8167  -14.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2917   -6.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3292   -8.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7750   -5.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6625   -2.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3125   -7.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2542   -5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4625   -9.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1875  -11.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9792   -9.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7042  -12.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6125  -10.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  9  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  2  0  0  0  0
  7  5  1  0  0  0  0
  8  3  1  0  0  0  0
  9 21  1  0  0  0  0
 10  6  1  0  0  0  0
 11  4  2  0  0  0  0
 12  4  2  0  0  0  0
 13  8  1  0  0  0  0
 14  3  2  0  0  0  0
 15  8  2  0  0  0  0
 16  5  1  0  0  0  0
 17 13  1  0  0  0  0
 18 15  1  0  0  0  0
 19 10  2  0  0  0  0
 20 10  1  0  0  0  0
 21 23  1  0  0  0  0
 22  4  1  0  0  0  0
 23 20  2  0  0  0  0
 24 19  1  0  0  0  0
 25 16  1  0  0  0  0
 26 16  2  0  0  0  0
 27 22  1  0  0  0  0
 28 25  2  0  0  0  0
 29 26  1  0  0  0  0
 30 29  2  0  0  0  0
  7  6  1  0  0  0  0
 17 18  2  0  0  0  0
 30 28  1  0  0  0  0
 21 24  2  0  0  0  0
M  END
>  <Mol_ID> (4,641)
4641

>  <Formula> (4,641)
C22H21N3O4S

>  <MolWeight> (4,641)
423.48484

>  <COMPOUND_NAME> (4,641)
WAY-269281

>  <BAR_CODE_NO> (4,641)
395150

$$$$
WAY-269282
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
    8.9875   -5.4042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2292   -4.5667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3042   -7.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8667    4.7042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.2875   -4.1042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.5167   -2.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4250   -2.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8292   -8.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167    2.9083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9542  -10.4125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.2375   -1.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4042    6.5750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7167    4.1667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0875   -7.9542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9917   -8.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1667   -4.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1875  -11.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9667   -9.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8125    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3667   -1.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6417    1.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0167    5.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0667   -0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5250    1.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2917   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9417   -6.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542    7.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2000   -2.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8542   -6.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -4.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  9  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  2  0  0  0  0
  7  5  1  0  0  0  0
  8  3  1  0  0  0  0
  9 21  1  0  0  0  0
 10  8  1  0  0  0  0
 11  6  1  0  0  0  0
 12  4  2  0  0  0  0
 13  4  2  0  0  0  0
 14  3  2  0  0  0  0
 15  8  2  0  0  0  0
 16  5  1  0  0  0  0
 17 10  1  0  0  0  0
 18 15  1  0  0  0  0
 19 11  2  0  0  0  0
 20 11  1  0  0  0  0
 21 23  1  0  0  0  0
 22  4  1  0  0  0  0
 23 20  2  0  0  0  0
 24 19  1  0  0  0  0
 25 16  1  0  0  0  0
 26 16  2  0  0  0  0
 27 22  1  0  0  0  0
 28 25  2  0  0  0  0
 29 26  1  0  0  0  0
 30 29  2  0  0  0  0
  7  6  1  0  0  0  0
 17 18  2  0  0  0  0
 30 28  1  0  0  0  0
 21 24  2  0  0  0  0
M  END
>  <Mol_ID> (4,642)
4642

>  <Formula> (4,642)
C22H21N3O3S2

>  <MolWeight> (4,642)
439.55044

>  <COMPOUND_NAME> (4,642)
WAY-269282

>  <BAR_CODE_NO> (4,642)
395151

$$$$
WAY-269283
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
    5.4875   -9.5875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5167   -8.6375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9542   -8.1167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.8417  -11.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4000    1.8083    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.8417   -6.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9792   -6.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0542   -8.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875  -13.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0083   -0.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792   -4.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792    1.1958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8083    3.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3292  -15.2042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8417  -12.4417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3292   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167  -12.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3375  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9625  -14.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0292   -2.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2917   -5.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5125   -1.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4750    2.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4667   -4.6292    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.5875   -1.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1583   -3.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9417  -10.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4792   -6.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9958    4.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0917  -10.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3542   -8.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5 10  1  0  0  0  0
  6  2  2  0  0  0  0
  7  3  1  0  0  0  0
  8  3  1  0  0  0  0
  9  4  1  0  0  0  0
 10 22  1  0  0  0  0
 11  6  1  0  0  0  0
 12  5  2  0  0  0  0
 13  5  2  0  0  0  0
 14  9  1  0  0  0  0
 15  4  2  0  0  0  0
 16  8  1  0  0  0  0
 17  9  2  0  0  0  0
 18 14  1  0  0  0  0
 19 17  1  0  0  0  0
 20 11  2  0  0  0  0
 21 11  1  0  0  0  0
 22 26  1  0  0  0  0
 23  5  1  0  0  0  0
 24 16  1  0  0  0  0
 25 20  1  0  0  0  0
 26 21  2  0  0  0  0
 27  8  2  0  0  0  0
 28 16  2  0  0  0  0
 29 23  1  0  0  0  0
 30 27  1  0  0  0  0
 31 30  2  0  0  0  0
  7  6  1  0  0  0  0
 18 19  2  0  0  0  0
 28 31  1  0  0  0  0
 22 25  2  0  0  0  0
M  END
>  <Mol_ID> (4,643)
4643

>  <Formula> (4,643)
C22H20FN3O4S

>  <MolWeight> (4,643)
441.4753032

>  <COMPOUND_NAME> (4,643)
WAY-269283

>  <BAR_CODE_NO> (4,643)
395152

$$$$
WAY-269284
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
    9.4667  -10.8167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8792  -10.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6625   -9.6292    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.7625  -12.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9042   -1.6042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.1417   -8.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8750   -8.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3542   -9.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4167  -13.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4167   -3.2625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5375  -15.3542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.9625   -7.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3875    0.0833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5875   -2.1042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3792  -13.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3917   -8.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7500  -13.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9250  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8167  -14.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4875   -5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2625   -7.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6250   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2292   -1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6917   -6.8125    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.3250   -4.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1000   -6.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0750  -11.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1250   -8.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8042  -11.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8292  -10.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5 10  1  0  0  0  0
  6  2  2  0  0  0  0
  7  3  1  0  0  0  0
  8  3  1  0  0  0  0
  9  4  1  0  0  0  0
 10 22  1  0  0  0  0
 11  9  1  0  0  0  0
 12  6  1  0  0  0  0
 13  5  2  0  0  0  0
 14  5  2  0  0  0  0
 15  4  2  0  0  0  0
 16  8  1  0  0  0  0
 17  9  2  0  0  0  0
 18 11  1  0  0  0  0
 19 17  1  0  0  0  0
 20 12  2  0  0  0  0
 21 12  1  0  0  0  0
 22 26  1  0  0  0  0
 23  5  1  0  0  0  0
 24 16  1  0  0  0  0
 25 20  1  0  0  0  0
 26 21  2  0  0  0  0
 27  8  2  0  0  0  0
 28 16  2  0  0  0  0
 29 23  1  0  0  0  0
 30 27  1  0  0  0  0
 31 30  2  0  0  0  0
  7  6  1  0  0  0  0
 18 19  2  0  0  0  0
 28 31  1  0  0  0  0
 22 25  2  0  0  0  0
M  END
>  <Mol_ID> (4,644)
4644

>  <Formula> (4,644)
C22H20FN3O3S2

>  <MolWeight> (4,644)
457.5409032

>  <COMPOUND_NAME> (4,644)
WAY-269284

>  <BAR_CODE_NO> (4,644)
395153

$$$$
WAY-269285
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
    7.1375   -6.8375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4000   -5.9875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4625   -8.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0417    3.2458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4500   -5.5250    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.6875   -4.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5875   -3.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9917   -9.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167    1.4375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2917   -5.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4042   -2.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8792    2.7083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5875    5.1042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1167  -11.8125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2292   -9.3667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1667   -9.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3542  -12.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1417  -11.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9792   -0.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0917   -7.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4375   -4.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5375   -3.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8375    0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958    3.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1167   -6.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6875    0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2625   -1.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3292   -4.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9875   -7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.3417    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2458    5.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  9  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  2  0  0  0  0
  7  5  1  0  0  0  0
  8  3  1  0  0  0  0
  9 23  1  0  0  0  0
 10  5  1  0  0  0  0
 11  6  1  0  0  0  0
 12  4  2  0  0  0  0
 13  4  2  0  0  0  0
 14  8  1  0  0  0  0
 15  3  2  0  0  0  0
 16  8  2  0  0  0  0
 17 14  1  0  0  0  0
 18 16  1  0  0  0  0
 19 11  2  0  0  0  0
 20 10  2  0  0  0  0
 21 10  1  0  0  0  0
 22 11  1  0  0  0  0
 23 27  1  0  0  0  0
 24  4  1  0  0  0  0
 25 28  1  0  0  0  0
 26 19  1  0  0  0  0
 27 22  2  0  0  0  0
 28 21  2  0  0  0  0
 29 20  1  0  0  0  0
 30 25  1  0  0  0  0
 31 24  1  0  0  0  0
  7  6  1  0  0  0  0
 25 29  2  0  0  0  0
 17 18  2  0  0  0  0
 23 26  2  0  0  0  0
M  END
>  <Mol_ID> (4,645)
4645

>  <Formula> (4,645)
C22H20FN3O4S

>  <MolWeight> (4,645)
441.4753032

>  <COMPOUND_NAME> (4,645)
WAY-269285

>  <BAR_CODE_NO> (4,645)
395154

$$$$
WAY-269286
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
    6.5042  -11.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0125  -10.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7792  -12.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667   -2.4500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.6292  -10.0042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.2542   -8.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8917   -8.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5250  -13.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8125   -4.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6292  -15.3917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.2167  -10.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1542   -7.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7375   -0.8625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8417   -2.9167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3042  -13.2917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9500  -13.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1167  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0667  -14.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6500   -6.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9042  -11.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2000   -8.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5500   -7.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9500   -5.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5042  -10.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5375   -4.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542   -6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8292   -9.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5292  -11.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1167  -10.6917    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7000   -0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  9  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  2  0  0  0  0
  7  5  1  0  0  0  0
  8  3  1  0  0  0  0
  9 23  1  0  0  0  0
 10  8  1  0  0  0  0
 11  5  1  0  0  0  0
 12  6  1  0  0  0  0
 13  4  2  0  0  0  0
 14  4  2  0  0  0  0
 15  3  2  0  0  0  0
 16  8  2  0  0  0  0
 17 10  1  0  0  0  0
 18 16  1  0  0  0  0
 19 12  2  0  0  0  0
 20 11  2  0  0  0  0
 21 11  1  0  0  0  0
 22 12  1  0  0  0  0
 23 27  1  0  0  0  0
 24  4  1  0  0  0  0
 25 28  1  0  0  0  0
 26 19  1  0  0  0  0
 27 22  2  0  0  0  0
 28 21  2  0  0  0  0
 29 20  1  0  0  0  0
 30 25  1  0  0  0  0
 31 24  1  0  0  0  0
  7  6  1  0  0  0  0
 25 29  2  0  0  0  0
 17 18  2  0  0  0  0
 23 26  2  0  0  0  0
M  END
>  <Mol_ID> (4,646)
4646

>  <Formula> (4,646)
C22H20FN3O3S2

>  <MolWeight> (4,646)
457.5409032

>  <COMPOUND_NAME> (4,646)
WAY-269286

>  <BAR_CODE_NO> (4,646)
395155

$$$$
WAY-269287
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
    6.6792   -8.5542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8417   -7.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0167  -10.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667    2.0500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.0542   -7.1750    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1500   -5.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1417   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4667  -11.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958    0.1583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0042   -7.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7875   -4.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042    1.4833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    4.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6042  -13.7917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8792  -11.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5417  -11.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500  -14.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4667  -12.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3917   -2.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8292   -9.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2000   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8417   -4.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0917   -1.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6708    2.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917   -3.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0542   -0.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8292   -9.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1917   -5.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0125   -7.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1500    4.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  9  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  2  0  0  0  0
  7  5  1  0  0  0  0
  8  3  1  0  0  0  0
  9 23  1  0  0  0  0
 10  5  1  0  0  0  0
 11  6  1  0  0  0  0
 12  4  2  0  0  0  0
 13  4  2  0  0  0  0
 14  8  1  0  0  0  0
 15  3  2  0  0  0  0
 16  8  2  0  0  0  0
 17 14  1  0  0  0  0
 18 16  1  0  0  0  0
 19 11  2  0  0  0  0
 20 10  2  0  0  0  0
 21 10  1  0  0  0  0
 22 11  1  0  0  0  0
 23 25  1  0  0  0  0
 24  4  1  0  0  0  0
 25 22  2  0  0  0  0
 26 19  1  0  0  0  0
 27 20  1  0  0  0  0
 28 21  2  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 31 24  1  0  0  0  0
  7  6  1  0  0  0  0
 17 18  2  0  0  0  0
 29 27  2  0  0  0  0
 23 26  2  0  0  0  0
M  END
>  <Mol_ID> (4,647)
4647

>  <Formula> (4,647)
C23H23N3O4S

>  <MolWeight> (4,647)
437.51142

>  <COMPOUND_NAME> (4,647)
WAY-269287

>  <BAR_CODE_NO> (4,647)
395156

$$$$
WAY-269288
csChFnd80/06171916322D

 32 35  0  0  0  0  0  0  0  0999 V2000
    4.3292   -9.3792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2875   -8.3875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7000  -11.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7750    2.3708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.8417   -7.8542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.6250   -6.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8375   -5.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9917  -12.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4083    0.2708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1375  -15.1792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.0167   -8.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1375   -4.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1458    4.5417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333    1.7458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7667  -12.3292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542  -12.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3375  -14.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042   -2.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9250  -10.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3292   -6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333   -5.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8708   -1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9208    3.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4667   -8.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3125   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5375   -3.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5417   -6.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1375  -10.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6542   -8.8042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9542   -7.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4583    5.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  9  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  2  0  0  0  0
  7  5  1  0  0  0  0
  8  3  1  0  0  0  0
  9 23  1  0  0  0  0
 10  8  1  0  0  0  0
 11  5  1  0  0  0  0
 12  6  1  0  0  0  0
 13  4  2  0  0  0  0
 14  4  2  0  0  0  0
 15  3  2  0  0  0  0
 16  8  2  0  0  0  0
 17 10  1  0  0  0  0
 18 16  1  0  0  0  0
 19 12  2  0  0  0  0
 20 11  2  0  0  0  0
 21 11  1  0  0  0  0
 22 12  1  0  0  0  0
 23 27  1  0  0  0  0
 24  4  1  0  0  0  0
 25 28  1  0  0  0  0
 26 19  1  0  0  0  0
 27 22  2  0  0  0  0
 28 21  2  0  0  0  0
 29 20  1  0  0  0  0
 30 25  1  0  0  0  0
 31 30  1  0  0  0  0
 32 24  1  0  0  0  0
  7  6  1  0  0  0  0
 25 29  2  0  0  0  0
 17 18  2  0  0  0  0
 23 26  2  0  0  0  0
M  END
>  <Mol_ID> (4,648)
4648

>  <Formula> (4,648)
C23H23N3O4S2

>  <MolWeight> (4,648)
469.57642

>  <COMPOUND_NAME> (4,648)
WAY-269288

>  <BAR_CODE_NO> (4,648)
395157

$$$$
WAY-269289
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
    8.3917   -8.1417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5042   -7.2250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7500  -10.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8250   -6.7250    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.7625    2.8375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.8167   -5.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8792   -4.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1542  -11.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8375   -6.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1875    0.8708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4167   -3.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7625    2.2458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542    4.8417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2875  -13.5542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6792  -10.8917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1625  -10.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0792   -5.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3667  -14.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0417  -12.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0417   -1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3875   -4.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6250   -0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458    3.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6375   -0.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7000   -8.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2417   -3.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1417   -5.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7333    5.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7667   -9.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5 10  1  0  0  0  0
  6  2  2  0  0  0  0
  7  4  1  0  0  0  0
  8  3  1  0  0  0  0
  9  4  1  0  0  0  0
 10 22  1  0  0  0  0
 11  6  1  0  0  0  0
 12  5  2  0  0  0  0
 13  5  2  0  0  0  0
 14  8  1  0  0  0  0
 15  3  2  0  0  0  0
 16  8  2  0  0  0  0
 17  9  1  0  0  0  0
 18 14  1  0  0  0  0
 19 16  1  0  0  0  0
 20 11  2  0  0  0  0
 21 11  1  0  0  0  0
 22 24  1  0  0  0  0
 23  5  1  0  0  0  0
 24 21  2  0  0  0  0
 25 20  1  0  0  0  0
 26  9  2  0  0  0  0
 27 17  1  0  0  0  0
 28 17  2  0  0  0  0
 29 23  1  0  0  0  0
 30 26  1  0  0  0  0
 31 30  2  0  0  0  0
  7  6  1  0  0  0  0
 18 19  2  0  0  0  0
 28 31  1  0  0  0  0
 22 25  2  0  0  0  0
M  END
>  <Mol_ID> (4,649)
4649

>  <Formula> (4,649)
C23H23N3O4S

>  <MolWeight> (4,649)
437.51142

>  <COMPOUND_NAME> (4,649)
WAY-269289

>  <BAR_CODE_NO> (4,649)
395158

$$$$
WAY-269290
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
    9.3500   -8.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6875   -7.8917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6542  -10.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5917   -7.4542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.5375    0.9250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.9625   -6.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7667   -5.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2542  -11.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3667   -7.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0250   -0.8042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3750  -13.4417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.7250   -4.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0375    2.6958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2917    0.4083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3417  -11.1167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5042  -11.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6917  -14.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4417   -6.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5292  -12.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2750   -3.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9542   -5.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2875   -2.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792    1.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7375   -3.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0542   -1.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1167   -9.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7167   -4.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2542   -6.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3417    3.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9292   -9.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5 10  1  0  0  0  0
  6  2  2  0  0  0  0
  7  4  1  0  0  0  0
  8  3  1  0  0  0  0
  9  4  1  0  0  0  0
 10 22  1  0  0  0  0
 11  8  1  0  0  0  0
 12  6  1  0  0  0  0
 13  5  2  0  0  0  0
 14  5  2  0  0  0  0
 15  3  2  0  0  0  0
 16  8  2  0  0  0  0
 17 11  1  0  0  0  0
 18  9  1  0  0  0  0
 19 16  1  0  0  0  0
 20 12  2  0  0  0  0
 21 12  1  0  0  0  0
 22 24  1  0  0  0  0
 23  5  1  0  0  0  0
 24 21  2  0  0  0  0
 25 20  1  0  0  0  0
 26  9  2  0  0  0  0
 27 18  1  0  0  0  0
 28 18  2  0  0  0  0
 29 23  1  0  0  0  0
 30 26  1  0  0  0  0
 31 30  2  0  0  0  0
  7  6  1  0  0  0  0
 17 19  2  0  0  0  0
 28 31  1  0  0  0  0
 22 25  2  0  0  0  0
M  END
>  <Mol_ID> (4,650)
4650

>  <Formula> (4,650)
C23H23N3O3S2

>  <MolWeight> (4,650)
453.57702

>  <COMPOUND_NAME> (4,650)
WAY-269290

>  <BAR_CODE_NO> (4,650)
395159

$$$$
WAY-269291
csChFnd80/06171916322D

 32 35  0  0  0  0  0  0  0  0999 V2000
    9.0542   -6.9625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3167   -6.1125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3542   -5.6542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.3667   -8.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9792    3.0875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.6000   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4917   -3.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2042   -5.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9042  -10.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417    1.2958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3125   -2.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8125    2.5583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5042    4.9417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0292  -11.9167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1375   -9.4792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3292   -4.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0792   -9.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2750  -12.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0625  -11.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8792   -1.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4667   -3.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7625   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417    3.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1875   -1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6042    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5667   -2.5917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9875   -7.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2250   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6875   -2.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6875    5.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8792   -7.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5 10  1  0  0  0  0
  6  2  2  0  0  0  0
  7  3  1  0  0  0  0
  8  3  1  0  0  0  0
  9  4  1  0  0  0  0
 10 22  1  0  0  0  0
 11  6  1  0  0  0  0
 12  5  2  0  0  0  0
 13  5  2  0  0  0  0
 14  9  1  0  0  0  0
 15  4  2  0  0  0  0
 16  8  1  0  0  0  0
 17  9  2  0  0  0  0
 18 14  1  0  0  0  0
 19 17  1  0  0  0  0
 20 11  2  0  0  0  0
 21 11  1  0  0  0  0
 22 24  1  0  0  0  0
 23  5  1  0  0  0  0
 24 21  2  0  0  0  0
 25 20  1  0  0  0  0
 26 16  1  0  0  0  0
 27  8  2  0  0  0  0
 28 16  2  0  0  0  0
 29 26  1  0  0  0  0
 30 23  1  0  0  0  0
 31 27  1  0  0  0  0
 32 31  2  0  0  0  0
  7  6  1  0  0  0  0
 18 19  2  0  0  0  0
 28 32  1  0  0  0  0
 22 25  2  0  0  0  0
M  END
>  <Mol_ID> (4,651)
4651

>  <Formula> (4,651)
C23H23N3O5S

>  <MolWeight> (4,651)
453.51082

>  <COMPOUND_NAME> (4,651)
WAY-269291

>  <BAR_CODE_NO> (4,651)
395160

$$$$
WAY-269292
csChFnd80/06171916322D

 32 35  0  0  0  0  0  0  0  0999 V2000
    9.6917   -9.6042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1250   -8.8292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8750   -8.4167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.9792  -11.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875   -0.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.3792   -7.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0917   -6.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5417   -8.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6542  -12.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125   -2.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7667  -14.0917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2250   -5.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6792    1.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8417   -0.9792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5792  -11.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5750   -7.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0042  -11.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1792  -14.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0792  -13.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7417   -4.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5375   -6.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9042   -3.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5250   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3792   -5.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5750   -3.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8792   -5.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2625  -10.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2875   -7.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1792   -5.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167    1.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9750  -10.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5 10  1  0  0  0  0
  6  2  2  0  0  0  0
  7  3  1  0  0  0  0
  8  3  1  0  0  0  0
  9  4  1  0  0  0  0
 10 22  1  0  0  0  0
 11  9  1  0  0  0  0
 12  6  1  0  0  0  0
 13  5  2  0  0  0  0
 14  5  2  0  0  0  0
 15  4  2  0  0  0  0
 16  8  1  0  0  0  0
 17  9  2  0  0  0  0
 18 11  1  0  0  0  0
 19 17  1  0  0  0  0
 20 12  2  0  0  0  0
 21 12  1  0  0  0  0
 22 24  1  0  0  0  0
 23  5  1  0  0  0  0
 24 21  2  0  0  0  0
 25 20  1  0  0  0  0
 26 16  1  0  0  0  0
 27  8  2  0  0  0  0
 28 16  2  0  0  0  0
 29 26  1  0  0  0  0
 30 23  1  0  0  0  0
 31 27  1  0  0  0  0
 32 31  2  0  0  0  0
  7  6  1  0  0  0  0
 18 19  2  0  0  0  0
 28 32  1  0  0  0  0
 22 25  2  0  0  0  0
M  END
>  <Mol_ID> (4,652)
4652

>  <Formula> (4,652)
C23H23N3O4S2

>  <MolWeight> (4,652)
469.57642

>  <COMPOUND_NAME> (4,652)
WAY-269292

>  <BAR_CODE_NO> (4,652)
395161

$$$$
WAY-269297
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
    9.1000  -14.1125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0292  -13.5875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9000  -13.3042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.3625   -7.9250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.2042  -12.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3667  -12.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0417  -13.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2917  -15.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0292   -9.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5750  -14.5292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.4125  -11.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6792   -6.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4875   -8.2542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8750  -12.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7250  -14.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3792  -15.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9125  -13.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7667  -10.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2792  -11.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8417   -9.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2292   -7.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4917  -10.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9792   -9.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3917  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9500   -6.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  9  1  0  0  0  0
  5  2  2  0  0  0  0
  6  3  1  0  0  0  0
  7  3  1  0  0  0  0
  8  1  1  0  0  0  0
  9 20  1  0  0  0  0
 10  7  1  0  0  0  0
 11  5  1  0  0  0  0
 12  4  2  0  0  0  0
 13  4  2  0  0  0  0
 14  7  2  0  0  0  0
 15 10  1  0  0  0  0
 16  8  2  0  0  0  0
 17 14  1  0  0  0  0
 18 11  2  0  0  0  0
 19 11  1  0  0  0  0
 20 22  1  0  0  0  0
 21  4  1  0  0  0  0
 22 19  2  0  0  0  0
 23 18  1  0  0  0  0
 24  8  1  0  0  0  0
 25 21  1  0  0  0  0
  6  5  1  0  0  0  0
 17 15  2  0  0  0  0
 20 23  2  0  0  0  0
M  END
>  <Mol_ID> (4,653)
4653

>  <Formula> (4,653)
C17H19N3O3S2

>  <MolWeight> (4,653)
377.48106

>  <COMPOUND_NAME> (4,653)
WAY-269297

>  <BAR_CODE_NO> (4,653)
395166

$$$$
WAY-269303
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   11.3167  -14.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1292  -13.4792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2000  -13.1667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.2125   -9.9292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.3292  -12.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6167  -12.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4667  -13.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2917  -15.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0750  -10.8792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4667  -11.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0542  -14.5125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.2042   -8.6417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3167   -9.2750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3875  -12.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2042  -11.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3292  -10.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3167  -14.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3917  -16.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5292  -13.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9542  -10.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1667  -15.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8542  -10.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9792   -9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7167   -9.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0875   -9.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  9  1  0  0  0  0
  5  2  2  0  0  0  0
  6  3  1  0  0  0  0
  7  3  1  0  0  0  0
  8  1  1  0  0  0  0
  9 16  1  0  0  0  0
 10  5  1  0  0  0  0
 11  7  1  0  0  0  0
 12  4  2  0  0  0  0
 13  4  2  0  0  0  0
 14  7  2  0  0  0  0
 15 10  1  0  0  0  0
 16 15  2  0  0  0  0
 17 11  1  0  0  0  0
 18  8  2  0  0  0  0
 19 14  1  0  0  0  0
 20  4  1  0  0  0  0
 21  8  1  0  0  0  0
 22 10  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 25 20  1  0  0  0  0
  6  5  1  0  0  0  0
 19 17  2  0  0  0  0
 24 16  1  0  0  0  0
M  END
>  <Mol_ID> (4,654)
4654

>  <Formula> (4,654)
C17H19N3O3S2

>  <MolWeight> (4,654)
377.48106

>  <COMPOUND_NAME> (4,654)
WAY-269303

>  <BAR_CODE_NO> (4,654)
395172

$$$$
WAY-269522
csChFnd80/06171916322D

 30 32  0  0  0  0  0  0  0  0999 V2000
   -3.8458    2.1458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1333    0.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4208    1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8458    1.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1333    2.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4208    2.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7000    0.9083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7083    2.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958    2.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9875    1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7125    3.3833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833    3.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5625    0.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1375    3.3833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708    0.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000    3.8000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.2833    2.5708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5583    2.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1333    0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708    0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167    3.8083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1625    0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4375   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8792   -0.3167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083    4.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417    3.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6000    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958    5.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  6  2  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7  3  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11  8  1  0  0  0  0
 12 16  1  0  0  0  0
 13  4  2  0  0  0  0
 14  5  2  0  0  0  0
 15 10  1  0  0  0  0
 16 11  1  0  0  0  0
 17 12  2  0  0  0  0
 18  1  1  0  0  0  0
 19  2  1  0  0  0  0
 20 15  1  0  0  0  0
 21 15  2  0  0  0  0
 22 12  1  0  0  0  0
 23 24  2  0  0  0  0
 24 21  1  0  0  0  0
 25 20  2  0  0  0  0
 26 23  1  0  0  0  0
 27 16  1  0  0  0  0
 28 22  1  0  0  0  0
 29 26  1  0  0  0  0
 30 27  1  0  0  0  0
  3  2  1  0  0  0  0
 10  7  2  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (4,655)
4655

>  <Formula> (4,655)
C20H22N4O5S

>  <MolWeight> (4,655)
430.47748

>  <COMPOUND_NAME> (4,655)
WAY-269522

>  <BAR_CODE_NO> (4,655)
395391

$$$$
WAY-269726
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -3.1833    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1833    2.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5833    1.5250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8250    1.4458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5833    2.1958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8208    1.8625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8250    2.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4625    2.0708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4625    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0958    2.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7208    1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8250    2.6958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1333    1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    1.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9458    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3583    0.8083    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.3750    1.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2583    0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4083    1.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6625    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8083    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0125    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708    2.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208    1.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3750    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8  9  1  0  0  0  0
  9  4  2  0  0  0  0
 10  8  1  0  0  0  0
 11  3  1  0  0  0  0
 12  7  2  0  0  0  0
 13 10  1  0  0  0  0
 14 11  1  0  0  0  0
 15 13  2  0  0  0  0
 16 22  2  0  0  0  0
 17 16  1  0  0  0  0
 18 15  1  0  0  0  0
 19 14  1  0  0  0  0
 20 14  2  0  0  0  0
 21 19  2  0  0  0  0
 22 20  1  0  0  0  0
 23 24  2  0  0  0  0
 24 13  1  0  0  0  0
 25 23  1  0  0  0  0
 26 18  1  0  0  0  0
  6  5  2  0  0  0  0
  7  8  1  0  0  0  0
 21 16  1  0  0  0  0
 18 25  2  0  0  0  0
M  END
>  <Mol_ID> (4,656)
4656

>  <Formula> (4,656)
C19H16ClN5O

>  <MolWeight> (4,656)
365.81624

>  <COMPOUND_NAME> (4,656)
WAY-269726

>  <BAR_CODE_NO> (4,656)
395595

$$$$
WAY-270038
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -1.5958    0.7250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1500    1.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4208    1.4958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1583    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458    1.9083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458    1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1000    1.8333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5333    1.9833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8583    0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6333   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3375    2.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0208    2.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083   -0.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4583    0.6458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2583    0.7958    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0458   -1.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3000   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4083   -1.5917    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.7250    2.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1000    3.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3375   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7083   -1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542    1.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8000    3.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4958    3.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  9  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  2  0  0  0  0
  6  1  1  0  0  0  0
  7  6  2  0  0  0  0
  8  4  1  0  0  0  0
  9  2  1  0  0  0  0
 10  1  1  0  0  0  0
 11  3  1  0  0  0  0
 12 11  2  0  0  0  0
 13 10  1  0  0  0  0
 14  4  2  0  0  0  0
 15  6  1  0  0  0  0
 16 13  2  0  0  0  0
 17 10  2  0  0  0  0
 18 16  1  0  0  0  0
 19 11  1  0  0  0  0
 20 12  1  0  0  0  0
 21 17  1  0  0  0  0
 22 21  2  0  0  0  0
 23 15  1  0  0  0  0
 24 19  2  0  0  0  0
 25 24  1  0  0  0  0
  5  7  1  0  0  0  0
 22 16  1  0  0  0  0
  8 12  1  0  0  0  0
 20 25  2  0  0  0  0
M  END
>  <Mol_ID> (4,657)
4657

>  <Formula> (4,657)
C17H13ClN4OS2

>  <MolWeight> (4,657)
388.89432

>  <COMPOUND_NAME> (4,657)
WAY-270038

>  <BAR_CODE_NO> (4,657)
395907

$$$$
WAY-270089
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
    5.9667   -8.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2542   -7.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5375   -8.0875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6917   -7.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500   -9.3375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5292   -8.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9667   -8.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4042   -8.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8167   -7.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1250   -7.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2542   -6.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7000   -6.8542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8167   -9.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1125   -8.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1125   -8.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1292   -6.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8375   -8.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4042   -6.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8417   -6.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5500   -7.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5542   -6.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  7  1  0  0  0  0
  6  5  2  0  0  0  0
  7  1  2  0  0  0  0
  8  4  1  0  0  0  0
  9  3  1  0  0  0  0
 10  8  1  0  0  0  0
 11  2  2  0  0  0  0
 12  4  2  0  0  0  0
 13  6  1  0  0  0  0
 14  9  2  0  0  0  0
 15 13  2  0  0  0  0
 16 10  1  0  0  0  0
 17 10  2  0  0  0  0
 18 16  1  0  0  0  0
 19 16  2  0  0  0  0
 20 17  1  0  0  0  0
 21 20  2  0  0  0  0
  6  3  1  0  0  0  0
 15 14  1  0  0  0  0
 21 19  1  0  0  0  0
M  END
>  <Mol_ID> (4,658)
4658

>  <Formula> (4,658)
C16H13N3O2

>  <MolWeight> (4,658)
279.29332

>  <COMPOUND_NAME> (4,658)
WAY-270089

>  <BAR_CODE_NO> (4,658)
395958

$$$$
WAY-270091
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.7198   -0.4081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8740    0.2711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0365   -0.3956    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4427    0.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8865   -2.4081    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0365   -1.7331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7198   -1.7456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5885   -0.4164    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1865    0.2794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8698    1.5961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1865   -2.3914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4427    1.5961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3323   -0.3956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3323   -1.7331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7427    0.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0760    1.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8927   -0.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7635    1.5794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0552    0.2294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9260    2.2294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2510    2.2086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  7  1  0  0  0  0
  6  5  2  0  0  0  0
  7  1  2  0  0  0  0
  8  4  1  0  0  0  0
  9  3  1  0  0  0  0
 10  2  2  0  0  0  0
 11  6  1  0  0  0  0
 12  4  2  0  0  0  0
 13  9  2  0  0  0  0
 14 11  2  0  0  0  0
 15  8  1  0  0  0  0
 16 20  1  0  0  0  0
 17 15  2  0  0  0  0
 18 15  1  0  0  0  0
 19 17  1  0  0  0  0
 20 18  2  0  0  0  0
 21 16  1  0  0  0  0
  3  6  1  0  0  0  0
 13 14  1  0  0  0  0
 16 19  2  0  0  0  0
M  END
>  <Mol_ID> (4,659)
4659

>  <Formula> (4,659)
C16H13N3O2

>  <MolWeight> (4,659)
279.29332

>  <COMPOUND_NAME> (4,659)
WAY-270091

>  <BAR_CODE_NO> (4,659)
395960

$$$$
WAY-270233
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -2.0250    2.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208    2.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458    2.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2375    3.5083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833    1.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8500    2.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1083    1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3875    2.0958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8750    3.6875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792    3.4208    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.5708    4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3958    2.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9125    1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167    2.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667    4.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833    4.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2083    2.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4583    1.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7292    4.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  2  0  0  0  0
  6  5  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  2  0  0  0  0
  9  2  2  0  0  0  0
 10  3  2  0  0  0  0
 11  4  1  0  0  0  0
 12  4  1  0  0  0  0
 13  7  1  0  0  0  0
 14  8  1  0  0  0  0
 15 11  1  0  0  0  0
 16 11  1  0  0  0  0
 17 12  1  0  0  0  0
 18 13  2  0  0  0  0
 19 18  1  0  0  0  0
 20 17  1  0  0  0  0
  8  6  1  0  0  0  0
 19 14  2  0  0  0  0
 20 16  1  0  0  0  0
M  END
>  <Mol_ID> (4,660)
4660

>  <Formula> (4,660)
C16H18N2O2

>  <MolWeight> (4,660)
270.32632

>  <COMPOUND_NAME> (4,660)
WAY-270233

>  <BAR_CODE_NO> (4,660)
396103

$$$$
WAY-270234
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -2.0250    2.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208    2.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458    2.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2375    3.5083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833    1.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8500    2.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1083    1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792    3.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3875    2.0958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8750    3.6875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5708    4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667    4.0792    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.3958    2.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833    4.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9125    1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7375    4.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8792    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2083    2.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4583    1.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  2  0  0  0  0
  6  5  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  2  0  0  0  0
  9  4  1  0  0  0  0
 10  2  2  0  0  0  0
 11  3  2  0  0  0  0
 12  4  1  0  0  0  0
 13  9  1  0  0  0  0
 14  7  1  0  0  0  0
 15 12  1  0  0  0  0
 16  8  1  0  0  0  0
 17 15  1  0  0  0  0
 18 13  1  0  0  0  0
 19 14  2  0  0  0  0
 20 19  1  0  0  0  0
  8  6  1  0  0  0  0
 20 16  2  0  0  0  0
 17 13  1  0  0  0  0
M  END
>  <Mol_ID> (4,661)
4661

>  <Formula> (4,661)
C16H18N2O2

>  <MolWeight> (4,661)
270.32632

>  <COMPOUND_NAME> (4,661)
WAY-270234

>  <BAR_CODE_NO> (4,661)
396104

$$$$
WAY-270237
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -2.0250    2.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208    2.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458    2.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2375    3.5083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833    1.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8500    2.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667    4.0875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.5792    3.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8875    4.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1083    1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3875    2.0958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8750    3.6875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3667    4.6667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5708    4.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2167    3.2583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7375    4.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3958    2.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833    4.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9125    1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0417    3.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2083    2.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3667    2.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4583    1.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  2  0  0  0  0
  6  5  1  0  0  0  0
  7  1  1  0  0  0  0
  8  9  1  0  0  0  0
  9  4  1  0  0  0  0
 10  8  1  0  0  0  0
 11  7  2  0  0  0  0
 12  2  2  0  0  0  0
 13  3  2  0  0  0  0
 14 10  2  0  0  0  0
 15  4  1  0  0  0  0
 16 10  1  0  0  0  0
 17 19  1  0  0  0  0
 18  7  1  0  0  0  0
 19 15  1  0  0  0  0
 20 11  1  0  0  0  0
 21 16  1  0  0  0  0
 22 18  2  0  0  0  0
 23 21  1  0  0  0  0
 24 22  1  0  0  0  0
 11  6  1  0  0  0  0
 20 24  2  0  0  0  0
 17  8  1  0  0  0  0
M  END
>  <Mol_ID> (4,662)
4662

>  <Formula> (4,662)
C18H20N2O4

>  <MolWeight> (4,662)
328.3624

>  <COMPOUND_NAME> (4,662)
WAY-270237

>  <BAR_CODE_NO> (4,662)
396107

$$$$
WAY-270245
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -2.0250    2.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458    2.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208    2.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833    1.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2375    3.5083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8500    2.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7375    4.8417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1083    1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2292    5.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3875    2.0958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8750    3.6875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792    3.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5708    4.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0750    4.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833    4.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0417    5.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8917    6.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917    6.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3750    6.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5292    6.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3958    2.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6792    7.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9125    1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    7.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2083    2.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4583    1.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  2  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  7  1  1  0  0  0  0
  8 16  1  0  0  0  0
  9  7  2  0  0  0  0
 10  8  1  0  0  0  0
 11  3  2  0  0  0  0
 12  2  2  0  0  0  0
 13  5  1  0  0  0  0
 14  5  1  0  0  0  0
 15 13  1  0  0  0  0
 16 14  1  0  0  0  0
 17 10  2  0  0  0  0
 18 10  1  0  0  0  0
 19 20  1  0  0  0  0
 20 18  2  0  0  0  0
 21 17  1  0  0  0  0
 22  7  1  0  0  0  0
 23 19  1  0  0  0  0
 24  9  1  0  0  0  0
 25 23  1  0  0  0  0
 26 22  2  0  0  0  0
 27 26  1  0  0  0  0
  9  6  1  0  0  0  0
 27 24  2  0  0  0  0
 15  8  1  0  0  0  0
 19 21  2  0  0  0  0
M  END
>  <Mol_ID> (4,663)
4663

>  <Formula> (4,663)
C21H21N3O3

>  <MolWeight> (4,663)
363.40974

>  <COMPOUND_NAME> (4,663)
WAY-270245

>  <BAR_CODE_NO> (4,663)
396116

$$$$
WAY-270248
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    6.2917   -8.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7792   -8.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5500   -9.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8750   -9.9917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4667   -8.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6042   -8.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2042   -9.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0917   -7.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4500   -7.2917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9417   -8.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7542   -6.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2042   -4.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2375   -6.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6917   -4.0500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.3792   -4.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5417   -5.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9000   -5.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0542   -6.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9167   -8.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4000   -9.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1125   -8.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8500   -9.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  5  2  0  0  0  0
  8  6  1  0  0  0  0
  9  2  2  0  0  0  0
 10  6  2  0  0  0  0
 11  8  1  0  0  0  0
 12 16  2  0  0  0  0
 13 11  1  0  0  0  0
 14 12  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 13  1  0  0  0  0
 18 13  2  0  0  0  0
 19  5  1  0  0  0  0
 20  7  1  0  0  0  0
 21 19  2  0  0  0  0
 22 21  1  0  0  0  0
  7  4  1  0  0  0  0
 22 20  2  0  0  0  0
 12 15  1  0  0  0  0
M  END
>  <Mol_ID> (4,664)
4664

>  <Formula> (4,664)
C17H13FN2O2

>  <MolWeight> (4,664)
296.2957232

>  <COMPOUND_NAME> (4,664)
WAY-270248

>  <BAR_CODE_NO> (4,664)
396119

$$$$
WAY-270250
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    6.2917   -8.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7792   -8.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5500   -9.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8750  -10.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4667   -8.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6042   -8.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2042   -9.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0917   -7.4792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4500   -7.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9417   -8.9042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7542   -6.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2375   -6.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2042   -4.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0542   -6.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9000   -5.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3792   -4.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5417   -5.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9167   -8.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4000   -9.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6917   -4.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1125   -8.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8500   -9.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  5  2  0  0  0  0
  8  6  1  0  0  0  0
  9  2  2  0  0  0  0
 10  6  2  0  0  0  0
 11  8  1  0  0  0  0
 12 11  1  0  0  0  0
 13 16  1  0  0  0  0
 14 12  2  0  0  0  0
 15 12  1  0  0  0  0
 16 15  2  0  0  0  0
 17 14  1  0  0  0  0
 18  5  1  0  0  0  0
 19  7  1  0  0  0  0
 20 13  1  0  0  0  0
 21 18  2  0  0  0  0
 22 21  1  0  0  0  0
  7  4  1  0  0  0  0
 22 19  2  0  0  0  0
 13 17  2  0  0  0  0
M  END
>  <Mol_ID> (4,665)
4665

>  <Formula> (4,665)
C18H16N2O2

>  <MolWeight> (4,665)
292.33184

>  <COMPOUND_NAME> (4,665)
WAY-270250

>  <BAR_CODE_NO> (4,665)
396121

$$$$
WAY-270251
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    6.2167   -8.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7042   -8.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5292   -8.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4750   -9.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8000   -9.9875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3917   -8.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0167   -7.4667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1292   -9.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6875   -6.7167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.8667   -8.8917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3667   -7.2875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1667   -6.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8417   -8.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3250   -9.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8625   -6.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9792   -6.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8375   -5.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0375   -8.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7750   -9.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3167   -4.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4667   -5.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1375   -4.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  2  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  6  2  0  0  0  0
  9  7  1  0  0  0  0
 10  3  2  0  0  0  0
 11  2  2  0  0  0  0
 12  9  1  0  0  0  0
 13  6  1  0  0  0  0
 14  8  1  0  0  0  0
 15  9  1  0  0  0  0
 16 12  2  0  0  0  0
 17 12  1  0  0  0  0
 18 13  2  0  0  0  0
 19 18  1  0  0  0  0
 20 17  2  0  0  0  0
 21 16  1  0  0  0  0
 22 20  1  0  0  0  0
  8  5  1  0  0  0  0
 19 14  2  0  0  0  0
 22 21  2  0  0  0  0
M  END
>  <Mol_ID> (4,666)
4666

>  <Formula> (4,666)
C18H16N2O2

>  <MolWeight> (4,666)
292.33184

>  <COMPOUND_NAME> (4,666)
WAY-270251

>  <BAR_CODE_NO> (4,666)
396122

$$$$
WAY-270252
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    6.2917   -8.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7792   -8.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5500   -9.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8750   -9.9875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4667   -8.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6042   -8.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2042   -9.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0917   -7.4667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4500   -7.2875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9417   -8.8917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7542   -6.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1917   -4.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2292   -6.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6667   -4.0292    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.3667   -4.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5292   -5.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8917   -5.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0542   -6.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9167   -8.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4000   -9.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1125   -8.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8500   -9.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  5  2  0  0  0  0
  8  6  1  0  0  0  0
  9  2  2  0  0  0  0
 10  6  2  0  0  0  0
 11  8  1  0  0  0  0
 12 16  2  0  0  0  0
 13 11  1  0  0  0  0
 14 12  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 13  1  0  0  0  0
 18 13  2  0  0  0  0
 19  5  1  0  0  0  0
 20  7  1  0  0  0  0
 21 19  2  0  0  0  0
 22 21  1  0  0  0  0
  7  4  1  0  0  0  0
 22 20  2  0  0  0  0
 12 15  1  0  0  0  0
M  END
>  <Mol_ID> (4,667)
4667

>  <Formula> (4,667)
C17H13ClN2O2

>  <MolWeight> (4,667)
312.75032

>  <COMPOUND_NAME> (4,667)
WAY-270252

>  <BAR_CODE_NO> (4,667)
396123

$$$$
WAY-270253
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -2.0250    2.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333    7.9417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833    1.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458    2.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8500    2.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208    2.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958    7.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1083    1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0708    7.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9458    8.5875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458    8.6042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8750    3.6875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3875    2.0958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2375    3.5083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5833    6.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2750    7.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667    6.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2458    5.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208    5.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5708    4.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3958    2.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9125    1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0875    4.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2083    2.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4583    1.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  8  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8 16  1  0  0  0  0
  9  6  2  0  0  0  0
 10  2  2  0  0  0  0
 11  2  2  0  0  0  0
 12  2  1  0  0  0  0
 13  4  2  0  0  0  0
 14  7  2  0  0  0  0
 15  7  1  0  0  0  0
 16 19  2  0  0  0  0
 17 18  1  0  0  0  0
 18 20  2  0  0  0  0
 19 20  1  0  0  0  0
 20 24  1  0  0  0  0
 21 15  1  0  0  0  0
 22  6  1  0  0  0  0
 23  9  1  0  0  0  0
 24 21  1  0  0  0  0
 25 22  2  0  0  0  0
 26 25  1  0  0  0  0
  9  5  1  0  0  0  0
 23 26  2  0  0  0  0
 17  8  2  0  0  0  0
M  END
>  <Mol_ID> (4,668)
4668

>  <Formula> (4,668)
C18H17N3O4S

>  <MolWeight> (4,668)
371.41028

>  <COMPOUND_NAME> (4,668)
WAY-270253

>  <BAR_CODE_NO> (4,668)
396124

$$$$
WAY-270255
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.5857   -1.5447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7961   -1.1827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5857   -2.8240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833   -0.9344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5064   -2.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2271    0.0277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7961   -3.1723    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833   -3.4240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5833   -1.5447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4064    0.9553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4374    0.2346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5833   -2.8240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1961    0.7346    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7961    2.1277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6246    1.6656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8350    1.4449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1626    2.8760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6557    2.4449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2936    0.2346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9729    3.8346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1833    3.5863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4729   -0.5723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  6 10  1  0  0  0  0
  6 11  2  0  0  0  0
  8 12  2  0  0  0  0
 10 13  1  0  0  0  0
 10 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
  5  7  1  0  0  0  0
  9 12  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (4,669)
4669

>  <Formula> (4,669)
C18H16N2O2

>  <MolWeight> (4,669)
292.33184

>  <COMPOUND_NAME> (4,669)
WAY-270255

>  <BAR_CODE_NO> (4,669)
396126

$$$$
WAY-270258
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
    6.2167   -9.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7042   -8.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5292   -8.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4667   -9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917  -10.2792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3875   -9.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0125   -7.7625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1292   -9.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6792   -7.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8625   -9.1792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3667   -7.5792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1750   -6.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9917   -6.4375    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8417   -8.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8542   -6.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3167   -9.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8375   -5.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0292   -8.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5250   -6.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7667   -9.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0167   -5.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  2  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  6  2  0  0  0  0
  9  7  1  0  0  0  0
 10  3  2  0  0  0  0
 11  2  2  0  0  0  0
 12  9  2  0  0  0  0
 13 12  1  0  0  0  0
 14  6  1  0  0  0  0
 15  9  1  0  0  0  0
 16  8  1  0  0  0  0
 17 12  1  0  0  0  0
 18 14  2  0  0  0  0
 19 15  2  0  0  0  0
 20 18  1  0  0  0  0
 21 19  1  0  0  0  0
  8  5  1  0  0  0  0
 20 16  2  0  0  0  0
 21 17  2  0  0  0  0
M  END
>  <Mol_ID> (4,670)
4670

>  <Formula> (4,670)
C16H11FN2O2

>  <MolWeight> (4,670)
282.2691432

>  <COMPOUND_NAME> (4,670)
WAY-270258

>  <BAR_CODE_NO> (4,670)
396129

$$$$
WAY-270259
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -2.0250    2.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458    2.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208    2.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833    1.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8500    2.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2375    3.5083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1083    1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3875    2.0958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5708    4.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8750    3.6875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3833    4.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7125    5.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5250    5.2042    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3958    2.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4083    5.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0750    4.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9125    1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208    5.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2083    2.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4583    1.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  2  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  6  2  0  0  0  0
  9  3  2  0  0  0  0
 10  7  1  0  0  0  0
 11  2  2  0  0  0  0
 12 10  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15  6  1  0  0  0  0
 16 17  1  0  0  0  0
 17 10  2  0  0  0  0
 18  8  1  0  0  0  0
 19 16  2  0  0  0  0
 20 15  2  0  0  0  0
 21 20  1  0  0  0  0
  8  5  1  0  0  0  0
 21 18  2  0  0  0  0
 19 13  1  0  0  0  0
M  END
>  <Mol_ID> (4,671)
4671

>  <Formula> (4,671)
C16H11FN2O2

>  <MolWeight> (4,671)
282.2691432

>  <COMPOUND_NAME> (4,671)
WAY-270259

>  <BAR_CODE_NO> (4,671)
396130

$$$$
WAY-270260
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -2.0250    2.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458    2.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208    2.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833    1.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8500    2.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2375    3.5083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1083    1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3875    2.0958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8750    3.6875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5708    4.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2333    5.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5583    6.5250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958    4.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833    4.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208    5.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    5.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3958    2.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9125    1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2083    2.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4583    1.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  2  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  6  2  0  0  0  0
  9  3  2  0  0  0  0
 10  2  2  0  0  0  0
 11  7  1  0  0  0  0
 12 17  2  0  0  0  0
 13 12  1  0  0  0  0
 14 11  1  0  0  0  0
 15 11  2  0  0  0  0
 16 14  2  0  0  0  0
 17 15  1  0  0  0  0
 18  6  1  0  0  0  0
 19  8  1  0  0  0  0
 20 18  2  0  0  0  0
 21 20  1  0  0  0  0
  8  5  1  0  0  0  0
 21 19  2  0  0  0  0
 16 12  1  0  0  0  0
M  END
>  <Mol_ID> (4,672)
4672

>  <Formula> (4,672)
C16H11FN2O2

>  <MolWeight> (4,672)
282.2691432

>  <COMPOUND_NAME> (4,672)
WAY-270260

>  <BAR_CODE_NO> (4,672)
396131

$$$$
WAY-270261
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
    1.5283    1.5842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9731    0.7394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5007    1.3187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2697    2.5636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6076   -0.0502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0338    0.6877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5524    0.3084    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2248    2.0325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9903    3.2739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4993   -0.2123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5821    1.5394    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9662    3.0084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4683   -0.1813    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0076   -1.1020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9303   -1.0882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4269   -1.9640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9441   -1.0882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9303   -2.8399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4510   -1.9640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9441   -2.8399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4097   -3.7261    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  6 10  1  0  0  0  0
  6 11  2  0  0  0  0
  8 12  2  0  0  0  0
 10 13  1  0  0  0  0
 10 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
  5  7  1  0  0  0  0
  9 12  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (4,673)
4673

>  <Formula> (4,673)
C16H11ClN2O2

>  <MolWeight> (4,673)
298.72374

>  <COMPOUND_NAME> (4,673)
WAY-270261

>  <BAR_CODE_NO> (4,673)
396132

$$$$
WAY-270262
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -2.0250    2.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458    2.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208    2.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833    1.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8500    2.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2375    3.5083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1083    1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3875    2.0958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8750    3.6875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5708    4.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208    5.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5500    6.5292    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.3833    4.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0750    4.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7125    5.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4083    5.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3958    2.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9125    1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2083    2.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4583    1.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  2  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  6  2  0  0  0  0
  9  3  2  0  0  0  0
 10  2  2  0  0  0  0
 11  7  1  0  0  0  0
 12 17  2  0  0  0  0
 13 12  1  0  0  0  0
 14 11  1  0  0  0  0
 15 11  2  0  0  0  0
 16 14  2  0  0  0  0
 17 15  1  0  0  0  0
 18  6  1  0  0  0  0
 19  8  1  0  0  0  0
 20 18  2  0  0  0  0
 21 20  1  0  0  0  0
  8  5  1  0  0  0  0
 21 19  2  0  0  0  0
 16 12  1  0  0  0  0
M  END
>  <Mol_ID> (4,674)
4674

>  <Formula> (4,674)
C16H11ClN2O2

>  <MolWeight> (4,674)
298.72374

>  <COMPOUND_NAME> (4,674)
WAY-270262

>  <BAR_CODE_NO> (4,674)
396133

$$$$
WAY-270269
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -2.0250    2.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458    2.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208    2.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833    1.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8500    2.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2375    3.5083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1083    1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4083    5.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0875    6.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3875    2.0958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8750    3.6875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5708    4.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0750    4.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000    6.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3958    2.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2250    5.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208    5.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3875    4.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458    7.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9125    1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2083    2.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4583    1.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  2  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  6  2  0  0  0  0
  9 14  1  0  0  0  0
 10  9  1  0  0  0  0
 11  3  2  0  0  0  0
 12  2  2  0  0  0  0
 13  7  1  0  0  0  0
 14 13  2  0  0  0  0
 15 10  2  0  0  0  0
 16  6  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 13  1  0  0  0  0
 20 10  1  0  0  0  0
 21  8  1  0  0  0  0
 22 16  2  0  0  0  0
 23 22  1  0  0  0  0
  8  5  1  0  0  0  0
 21 23  2  0  0  0  0
 17  9  2  0  0  0  0
M  END
>  <Mol_ID> (4,675)
4675

>  <Formula> (4,675)
C18H14N2O3

>  <MolWeight> (4,675)
306.31536

>  <COMPOUND_NAME> (4,675)
WAY-270269

>  <BAR_CODE_NO> (4,675)
396141

$$$$
WAY-270273
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -2.6558    0.4193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1730    0.4193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6558   -0.4187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3971    0.8365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1730   -0.4187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3937    0.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9144   -0.8428    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3971   -0.8428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1385    0.4193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3649    0.4193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4075    1.8365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1385   -0.4187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1304    0.9262    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3649   -0.4876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9235    0.4744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9235   -0.4359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7270    0.9365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7132   -0.8911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5304    0.4744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5201   -0.4359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6960   -1.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5511   -0.9428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  6 10  1  0  0  0  0
  6 11  2  0  0  0  0
  8 12  2  0  0  0  0
 10 13  1  0  0  0  0
 10 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 20 22  1  0  0  0  0
  5  7  1  0  0  0  0
  9 12  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (4,676)
4676

>  <Formula> (4,676)
C18H16N2O2

>  <MolWeight> (4,676)
292.33184

>  <COMPOUND_NAME> (4,676)
WAY-270273

>  <BAR_CODE_NO> (4,676)
396145

$$$$
WAY-270275
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -2.0250    2.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458    2.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208    2.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833    1.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8500    2.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2375    3.5083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1083    1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3875    4.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208    5.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5708    4.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3875    2.0958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8750    3.6875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375    5.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208    5.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0875    4.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5458    5.1917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5708    6.5167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3958    2.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9125    1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0333    4.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3958    6.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2083    2.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4583    1.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  2  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  6  2  0  0  0  0
  9 11  1  0  0  0  0
 10  9  2  0  0  0  0
 11  7  1  0  0  0  0
 12  3  2  0  0  0  0
 13  2  2  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 11  2  0  0  0  0
 17 10  1  0  0  0  0
 18 14  1  0  0  0  0
 19  6  1  0  0  0  0
 20  8  1  0  0  0  0
 21 17  1  0  0  0  0
 22 18  1  0  0  0  0
 23 19  2  0  0  0  0
 24 23  1  0  0  0  0
  8  5  1  0  0  0  0
 20 24  2  0  0  0  0
 14 10  1  0  0  0  0
M  END
>  <Mol_ID> (4,677)
4677

>  <Formula> (4,677)
C18H16N2O4

>  <MolWeight> (4,677)
324.33064

>  <COMPOUND_NAME> (4,677)
WAY-270275

>  <BAR_CODE_NO> (4,677)
396147

$$$$
WAY-270315
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -3.0333    2.3958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4208    2.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7500    3.6875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7458    2.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0333    1.5583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5708    3.6083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7458    1.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4583    2.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6208    2.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4583    1.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1708    0.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7458    0.3208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1625    1.1458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0708    3.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708    1.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4583   -0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8833   -0.0792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0125    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5625    1.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2625    3.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917    2.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  2  0  0  0  0
  7  5  2  0  0  0  0
  8  4  1  0  0  0  0
  9  2  1  0  0  0  0
 10  7  1  0  0  0  0
 11 16  1  0  0  0  0
 12  7  1  0  0  0  0
 13 11  2  0  0  0  0
 14  9  2  0  0  0  0
 15  9  1  0  0  0  0
 16 12  1  0  0  0  0
 17 11  1  0  0  0  0
 18 19  1  0  0  0  0
 19 15  2  0  0  0  0
 20 14  1  0  0  0  0
 21 18  1  0  0  0  0
  6  3  1  0  0  0  0
 10  8  2  0  0  0  0
 20 18  2  0  0  0  0
M  END
>  <Mol_ID> (4,678)
4678

>  <Formula> (4,678)
C13H10FN5OS

>  <MolWeight> (4,678)
303.3148032

>  <COMPOUND_NAME> (4,678)
WAY-270315

>  <BAR_CODE_NO> (4,678)
396187

$$$$
WAY-270318
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -3.0333    2.3958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4208    2.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7500    3.6875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7458    2.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0333    1.5583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5708    3.6083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7458    1.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4583    2.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6208    2.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4583    1.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0708    3.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708    1.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7458    0.3208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0125    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5625    1.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2625    3.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4583   -0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3375    2.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1417    2.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  2  0  0  0  0
  7  5  2  0  0  0  0
  8  4  1  0  0  0  0
  9  2  1  0  0  0  0
 10  7  1  0  0  0  0
 11  9  2  0  0  0  0
 12  9  1  0  0  0  0
 13  7  1  0  0  0  0
 14 15  1  0  0  0  0
 15 12  2  0  0  0  0
 16 11  1  0  0  0  0
 17 14  1  0  0  0  0
 18 13  1  0  0  0  0
 19 17  1  0  0  0  0
 20 19  1  0  0  0  0
  6  3  1  0  0  0  0
 10  8  2  0  0  0  0
 16 14  2  0  0  0  0
M  END
>  <Mol_ID> (4,679)
4679

>  <Formula> (4,679)
C14H14N4OS

>  <MolWeight> (4,679)
286.35216

>  <COMPOUND_NAME> (4,679)
WAY-270318

>  <BAR_CODE_NO> (4,679)
396190

$$$$
WAY-270329
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -3.0333    2.3958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4208    2.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7500    3.6875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7458    2.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0333    1.5583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5708    3.6083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7458    1.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4583    2.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6208    2.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4583    1.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1625    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8708   -0.0917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7458    0.3208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1708    1.1458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708    1.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0708    3.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4583   -0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5792    0.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0042    1.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0125    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5625    1.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2625    3.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7292    1.5083    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5875    1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2792   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0000    0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3042    1.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3375    2.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1417    2.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  2  0  0  0  0
  7  5  2  0  0  0  0
  8  4  1  0  0  0  0
  9  2  1  0  0  0  0
 10  7  1  0  0  0  0
 11 17  1  0  0  0  0
 12 11  1  0  0  0  0
 13  7  1  0  0  0  0
 14 11  2  0  0  0  0
 15  9  1  0  0  0  0
 16  9  2  0  0  0  0
 17 13  1  0  0  0  0
 18 12  1  0  0  0  0
 19 26  1  0  0  0  0
 20 22  2  0  0  0  0
 21 15  2  0  0  0  0
 22 16  1  0  0  0  0
 23 19  1  0  0  0  0
 24 18  2  0  0  0  0
 25 18  1  0  0  0  0
 26 25  2  0  0  0  0
 27 24  1  0  0  0  0
 28 20  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
  6  3  1  0  0  0  0
 10  8  2  0  0  0  0
 20 21  1  0  0  0  0
 19 27  2  0  0  0  0
M  END
>  <Mol_ID> (4,680)
4680

>  <Formula> (4,680)
C21H18FN5O2S

>  <MolWeight> (4,680)
423.4633232

>  <COMPOUND_NAME> (4,680)
WAY-270329

>  <BAR_CODE_NO> (4,680)
396201

$$$$
WAY-270334
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -0.5958   -2.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4500   -2.4375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9500   -1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1500   -2.7542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5500   -1.3167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0875   -1.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8500   -1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9042   -1.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2958   -2.4792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6875   -2.9375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2875    0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667   -0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708    0.4833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8292    0.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1958   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2958   -0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1500    1.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5500   -0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6583   -1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1958   -0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  5  1  0  0  0  0
  9  3  1  0  0  0  0
 10  8  1  0  0  0  0
 11  8  2  0  0  0  0
 12  9  1  0  0  0  0
 13  5  2  0  0  0  0
 14 15  2  0  0  0  0
 15 11  1  0  0  0  0
 16 10  2  0  0  0  0
 17 16  1  0  0  0  0
 18 15  1  0  0  0  0
 19 12  2  0  0  0  0
 20  9  2  0  0  0  0
 21 17  1  0  0  0  0
 22 18  1  0  0  0  0
 23 24  2  0  0  0  0
 24 20  1  0  0  0  0
  3  7  2  0  0  0  0
 16 14  1  0  0  0  0
 19 23  1  0  0  0  0
M  END
>  <Mol_ID> (4,681)
4681

>  <Formula> (4,681)
C17H15N3O3S

>  <MolWeight> (4,681)
341.3843

>  <COMPOUND_NAME> (4,681)
WAY-270334

>  <BAR_CODE_NO> (4,681)
396206

$$$$
WAY-270335
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.3958    0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1958    0.2333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5500    0.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292   -0.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9875    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500    1.1500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708    1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1000   -2.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4875   -1.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3333    1.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6292   -0.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8500    0.4500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1292    0.9125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792   -0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4875   -1.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8667   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0042   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1042   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6500    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6500    1.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9708    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4500    1.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  9  3  0  0  0  0
  9 16  1  0  0  0  0
 10  3  1  0  0  0  0
 11  5  1  0  0  0  0
 12 10  1  0  0  0  0
 13  5  2  0  0  0  0
 14 11  2  0  0  0  0
 15 11  1  0  0  0  0
 16 18  1  0  0  0  0
 17 14  1  0  0  0  0
 18 15  2  0  0  0  0
 19 12  2  0  0  0  0
 20 10  2  0  0  0  0
 21 22  2  0  0  0  0
 22 20  1  0  0  0  0
  3  7  2  0  0  0  0
 16 17  2  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <Mol_ID> (4,682)
4682

>  <Formula> (4,682)
C16H10N4OS

>  <MolWeight> (4,682)
306.3418

>  <COMPOUND_NAME> (4,682)
WAY-270335

>  <BAR_CODE_NO> (4,682)
396207

$$$$
WAY-270353-A
csChFnd80/06171916322D

 28 30  0  0  0  0  0  0  0  0999 V2000
    1.5875   -1.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3125    1.2208    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.0708   -0.6792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1333    0.7625    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4042   -2.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9583    1.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5125    0.7625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667   -2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5667   -0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3125    2.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708   -0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4292   -3.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2292   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0500   -1.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6958   -0.6792    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -4.1583   -0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5125   -0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0667   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9333    2.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0500   -2.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2500   -3.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1125    2.6458    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.9500   -3.3000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6958   -1.6167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9708   -0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3500   -0.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1125    3.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  1  0  0  0  0
  3 15  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7 18  1  0  0  0  0
  8  1  1  0  0  0  0
  9  1  1  0  0  0  0
 10  2  1  0  0  0  0
 11  3  1  0  0  0  0
 12  5  1  0  0  0  0
 13  5  2  0  0  0  0
 14  8  1  0  0  0  0
 15  9  1  0  0  0  0
 16 11  1  0  0  0  0
 17  4  1  0  0  0  0
 18 16  1  0  0  0  0
 19 21  2  0  0  0  0
 20 23  1  0  0  0  0
 21 13  1  0  0  0  0
 22 12  2  0  0  0  0
 23 10  1  0  0  0  0
 24 19  1  0  0  0  0
 25 16  1  0  0  0  0
 26 17  1  0  0  0  0
 27 17  1  0  0  0  0
 28 23  1  0  0  0  0
  3 14  1  0  0  0  0
 22 19  1  0  0  0  0
  6 20  1  0  0  0  0
M  END
>  <Mol_ID> (4,683)
4683

>  <Formula> (4,683)
C23H37FN2O2

>  <MolWeight> (4,683)
392.5504832

>  <COMPOUND_NAME> (4,683)
WAY-270353

>  <BAR_CODE_NO> (4,683)
396225

$$$$
WAY-270356-A
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -2.9708   -0.6375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6708   -0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5708   -1.1542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2500   -0.8542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3958   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8500   -1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6875   -1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708   -1.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4875   -2.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9667   -0.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042   -0.8167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1500   -1.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6958   -0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2875   -0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042   -1.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958   -0.9792    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.0875   -1.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042   -1.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958   -0.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8125    0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9583   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5500   -0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5875   -2.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5208    0.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0708    0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3 12  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7 11  1  0  0  0  0
  8  3  1  0  0  0  0
  9 15  1  0  0  0  0
 10 14  2  0  0  0  0
 11 18  1  0  0  0  0
 12  6  1  0  0  0  0
 13  5  1  0  0  0  0
 14  7  1  0  0  0  0
 15  7  2  0  0  0  0
 16  8  1  0  0  0  0
 17  9  2  0  0  0  0
 18 16  1  0  0  0  0
 19 16  1  0  0  0  0
 20  2  2  0  0  0  0
 21  4  2  0  0  0  0
 22 10  1  0  0  0  0
 23  9  1  0  0  0  0
 24 20  1  0  0  0  0
 25 24  2  0  0  0  0
  3 13  1  0  0  0  0
 21 25  1  0  0  0  0
 17 10  1  0  0  0  0
M  END
>  <Mol_ID> (4,684)
4684

>  <Formula> (4,684)
C20H27N3O2

>  <MolWeight> (4,684)
341.44728

>  <COMPOUND_NAME> (4,684)
WAY-270356

>  <BAR_CODE_NO> (4,684)
396228

$$$$
WAY-270360
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
    0.2542    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8167    0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542    0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0792    0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4625    0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4625    1.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    1.3333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0167    1.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7167    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5375    0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1542    0.5333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167    1.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792    0.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6375    1.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7375    1.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4792    1.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8792    0.1958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3792    1.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4375    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2167    1.1125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8625    0.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8625    1.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4167    0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4792    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2625    1.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2625    0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5  9  1  0  0  0  0
  6  4  2  0  0  0  0
  7  2  1  0  0  0  0
  8  3  1  0  0  0  0
  9 16  1  0  0  0  0
 10  4  1  0  0  0  0
 11  1  1  0  0  0  0
 12  6  1  0  0  0  0
 13  5  2  0  0  0  0
 14 11  1  0  0  0  0
 15 11  2  0  0  0  0
 16 21  2  0  0  0  0
 17 18  1  0  0  0  0
 18 10  2  0  0  0  0
 19  6  1  0  0  0  0
 20 14  2  0  0  0  0
 21 15  1  0  0  0  0
 22 17  1  0  0  0  0
 23  7  1  0  0  0  0
 24  8  1  0  0  0  0
 25 19  1  0  0  0  0
 26 22  1  0  0  0  0
 27 24  2  0  0  0  0
 28 23  2  0  0  0  0
  7  8  2  0  0  0  0
 16 20  1  0  0  0  0
 28 27  1  0  0  0  0
 12 17  2  0  0  0  0
M  END
>  <Mol_ID> (4,685)
4685

>  <Formula> (4,685)
C22H19N3O3

>  <MolWeight> (4,685)
373.40456

>  <COMPOUND_NAME> (4,685)
WAY-270360

>  <BAR_CODE_NO> (4,685)
396232

$$$$
WAY-270374
csChFnd80/06171916322D

 23 24  0  0  0  0  0  0  0  0999 V2000
    0.1042    1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958    1.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958    1.3833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6875    1.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1708    2.2833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7333    2.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667    1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5500    1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3333    1.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6875    0.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8292    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042    1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7958    1.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0500    2.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958    0.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708    2.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5292    0.3208    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.5042    2.3000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.6667    1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792    1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9125    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9708    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7  4  1  0  0  0  0
  8  7  1  0  0  0  0
  9  2  1  0  0  0  0
 10  7  2  0  0  0  0
 11  8  2  0  0  0  0
 12  8  1  0  0  0  0
 13  9  2  0  0  0  0
 14  5  1  0  0  0  0
 15  9  1  0  0  0  0
 16  6  1  0  0  0  0
 17 11  1  0  0  0  0
 18 12  1  0  0  0  0
 19 21  1  0  0  0  0
 20 11  1  0  0  0  0
 21 12  2  0  0  0  0
 22 15  1  0  0  0  0
 23 22  1  0  0  0  0
  6  2  2  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (4,686)
4686

>  <Formula> (4,686)
C15H14F2N2O3S

>  <MolWeight> (4,686)
340.3450664

>  <COMPOUND_NAME> (4,686)
WAY-270374

>  <BAR_CODE_NO> (4,686)
396246

$$$$
WAY-270379
csChFnd80/06171916322D

 23 26  0  0  0  0  0  0  0  0999 V2000
   -0.2684    0.4729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6972    0.4557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7546   -0.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7304    1.3177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1661   -0.3788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1937    1.2867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7235   -0.3340    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2891   -1.1961    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2442    2.1488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1351   -0.3926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6696   -1.2064    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7213    2.1315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2235   -1.1616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1925    0.5039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6040   -1.2409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6316    0.4315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1891   -1.1478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1615    0.5212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5696   -1.2547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5972    0.4143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6546   -0.3029    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0661   -0.4271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6201   -0.2892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 19 22  1  0  0  0  0
 21 23  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  2  0  0  0  0
 18 21  1  0  0  0  0
 20 22  2  0  0  0  0
M  END
>  <Mol_ID> (4,687)
4687

>  <Formula> (4,687)
C19H20N4

>  <MolWeight> (4,687)
304.3889

>  <COMPOUND_NAME> (4,687)
WAY-270379

>  <BAR_CODE_NO> (4,687)
396251

$$$$
WAY-270382
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.0333    0.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6167    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8125    1.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333    2.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542    2.3000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0625    2.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5167    1.3625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0500   -2.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6333    0.9833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0500   -1.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792   -3.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3708    3.1833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7167   -0.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8333   -0.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8333   -1.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7167   -1.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9333    2.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958   -3.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4833    3.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7000    2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2625    1.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1458    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  2  0  0  0  0
  7  1  1  0  0  0  0
  8  2  2  0  0  0  0
  9 11  1  0  0  0  0
 10  3  2  0  0  0  0
 11 16  2  0  0  0  0
 12  9  2  0  0  0  0
 13 20  2  0  0  0  0
 14  7  1  0  0  0  0
 15  7  2  0  0  0  0
 16 15  1  0  0  0  0
 17 14  2  0  0  0  0
 18  6  1  0  0  0  0
 19  9  1  0  0  0  0
 20 18  1  0  0  0  0
 21 23  2  0  0  0  0
 22 18  2  0  0  0  0
 23 22  1  0  0  0  0
  5  4  1  0  0  0  0
 11 17  1  0  0  0  0
 21 13  1  0  0  0  0
M  END
>  <Mol_ID> (4,688)
4688

>  <Formula> (4,688)
C16H10N2O3S2

>  <MolWeight> (4,688)
342.3922

>  <COMPOUND_NAME> (4,688)
WAY-270382

>  <BAR_CODE_NO> (4,688)
396254

$$$$
WAY-270444
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.2276   -1.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1931   -1.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1379   -0.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5069   -2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9483    0.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8655   -2.4621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3931    1.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3310   -1.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7828   -3.4724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8517   -3.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9483    1.6828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2172   -0.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7207    1.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7379   -0.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2172    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6759    2.4379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5138    0.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9345    0.9310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5138    1.6828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3448    1.4517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7931    2.4379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4828    0.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  1  0  0  0  0
 12 17  2  0  0  0  0
 13 18  1  0  0  0  0
 15 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
  6  9  1  0  0  0  0
 14 18  2  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (4,689)
4689

>  <Formula> (4,689)
C17H16N2O3

>  <MolWeight> (4,689)
296.32054

>  <COMPOUND_NAME> (4,689)
WAY-270444

>  <BAR_CODE_NO> (4,689)
396316

$$$$
WAY-270468
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -2.2083    2.6833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9375    1.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3458    1.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6208    3.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000    2.0083    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958    2.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1000    1.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9958    0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6208    3.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6458    0.0208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2708    5.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2708    4.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6208    5.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8917    0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8250    5.5292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5000    0.8708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833    6.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5000    0.7458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5208    6.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708    4.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6500    0.2625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708    5.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7500    0.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2500    0.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4083    0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3583    1.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6000    1.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6583    0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5292   -0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  2  0  0  0  0
  7  3  2  0  0  0  0
  8  3  1  0  0  0  0
  9  4  1  0  0  0  0
 10  8  3  0  0  0  0
 11 12  1  0  0  0  0
 12  9  2  0  0  0  0
 13 22  1  0  0  0  0
 14 16  1  0  0  0  0
 15 11  1  0  0  0  0
 16 23  1  0  0  0  0
 17 13  1  0  0  0  0
 18  7  1  0  0  0  0
 19 15  1  0  0  0  0
 20  9  1  0  0  0  0
 21 14  2  0  0  0  0
 22 20  2  0  0  0  0
 23 25  1  0  0  0  0
 24 18  1  0  0  0  0
 25 28  2  0  0  0  0
 26 27  1  0  0  0  0
 27 24  2  0  0  0  0
 28 24  1  0  0  0  0
 29 14  1  0  0  0  0
  5  6  1  0  0  0  0
 13 11  2  0  0  0  0
 17 19  1  0  0  0  0
 26 23  2  0  0  0  0
M  END
>  <Mol_ID> (4,690)
4690

>  <Formula> (4,690)
C21H16N4O3S

>  <MolWeight> (4,690)
404.44174

>  <COMPOUND_NAME> (4,690)
WAY-270468

>  <BAR_CODE_NO> (4,690)
396340

$$$$
WAY-270481
csChFnd80/06171916322D

 22 23  0  0  0  0  0  0  0  0999 V2000
   -0.8313   -1.0538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5854   -1.0538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1313   -0.6288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8146   -1.8746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1313   -2.2746    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5854   -1.8538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1313    0.1879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5521   -0.6288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3062   -0.6288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3021   -0.2121    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0229   -0.2121    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5687    0.6087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3062   -2.2746    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5687    1.4087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8313    0.6087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1313    1.8337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5396   -2.3121    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8313    1.4254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3062    1.8337    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1521    2.6462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0062    1.4087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8771    3.0462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  3  1  0  0  0  0
  8  1  1  0  0  0  0
  9  2  1  0  0  0  0
 10  8  3  0  0  0  0
 11  9  3  0  0  0  0
 12  7  2  0  0  0  0
 13  6  2  0  0  0  0
 14 12  1  0  0  0  0
 15  7  1  0  0  0  0
 16 18  1  0  0  0  0
 17  4  1  0  0  0  0
 18 15  2  0  0  0  0
 19 14  1  0  0  0  0
 20 16  1  0  0  0  0
 21 19  1  0  0  0  0
 22 20  1  0  0  0  0
  2  6  1  0  0  0  0
 14 16  2  0  0  0  0
M  END
>  <Mol_ID> (4,691)
4691

>  <Formula> (4,691)
C15H12N4O2S

>  <MolWeight> (4,691)
312.34638

>  <COMPOUND_NAME> (4,691)
WAY-270481

>  <BAR_CODE_NO> (4,691)
396353

$$$$
WAY-270502
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -1.3252    0.9909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4459    0.9046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8080    0.2874    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8080    1.6667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0438    1.6046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0976    0.1357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6390    0.5460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6390    1.4081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9127    1.5288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7679    0.0495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3769    0.1184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3769    1.8357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2644    0.7495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1287    0.5460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1287    1.4081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1403    0.6805    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8907    0.1357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5058   -0.1091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0093   -0.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3817   -0.1816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3782   -1.6091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1403   -0.7402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8713   -2.3160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2507   -1.6816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6438   -1.4471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0093   -2.2367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6093   -2.4747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7369   -0.9781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 19 22  2  0  0  0  0
 21 23  2  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
 23 26  1  0  0  0  0
 24 27  1  0  0  0  0
 24 28  2  0  0  0  0
  7  8  2  0  0  0  0
 10 13  2  0  0  0  0
 14 15  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <Mol_ID> (4,692)
4692

>  <Formula> (4,692)
C22H16N2O3S

>  <MolWeight> (4,692)
388.43904

>  <COMPOUND_NAME> (4,692)
WAY-270502

>  <BAR_CODE_NO> (4,692)
396374

$$$$
WAY-270507
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -2.2382   -0.4730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2382    0.3787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9382   -0.8730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5348   -0.8730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5348    0.7787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9382    0.7787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6589   -0.4730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9520   -1.6765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8106   -0.4523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8106    0.3787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6589    0.3787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6727   -2.1006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0900   -0.8730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0900    0.7787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6618    0.4477    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0106    1.6235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2100    1.0718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8100    1.7787    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0411    0.9787    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3652    0.2270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2100    0.1477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8894   -0.4282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5273   -0.6213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6756    0.8235    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2135   -1.1765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0618   -1.2765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5100    0.7270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  2  0  0  0  0
 10 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
 23 26  1  0  0  0  0
 24 27  1  0  0  0  0
  7 11  2  0  0  0  0
  9 10  1  0  0  0  0
 17 18  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <Mol_ID> (4,693)
4693

>  <Formula> (4,693)
C20H16N2O4S

>  <MolWeight> (4,693)
380.41704

>  <COMPOUND_NAME> (4,693)
WAY-270507

>  <BAR_CODE_NO> (4,693)
396379

$$$$
WAY-270510
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
    2.0411    0.0136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0859    1.5446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6859   -0.7243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3376   -0.7933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7687    2.3515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4307    2.2722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6279    0.0895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6894   -0.0657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5796    1.6205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7342    1.4722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9831   -0.6347    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0894    2.2032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3382   -1.3692    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6727   -1.4450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9382    0.9101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1273    3.7446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6555   -0.5485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3762   -2.9071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0106   -1.2795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7451   -3.6347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0624   -2.8209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
 11 15  2  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (4,694)
4694

>  <Formula> (4,694)
C16H19NO3S

>  <MolWeight> (4,694)
305.39196

>  <COMPOUND_NAME> (4,694)
WAY-270510

>  <BAR_CODE_NO> (4,694)
396382

$$$$
WAY-270582
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -1.1958    1.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958    0.8458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5125    1.9125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792    1.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4375    2.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4167    1.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2000    1.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667    2.5333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1500    1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333    1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4500    1.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7667    1.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7500    3.1208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4500    1.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4375    0.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792    0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7167    2.5458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7792    0.2708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000    0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4500    0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8125    0.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7125    2.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667    1.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3667    2.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4667   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3125    1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3833    1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5  8  1  0  0  0  0
  6  4  1  0  0  0  0
  7  2  1  0  0  0  0
  8 14  1  0  0  0  0
  9  3  1  0  0  0  0
 10  1  1  0  0  0  0
 11  4  2  0  0  0  0
 12  6  2  0  0  0  0
 13  5  2  0  0  0  0
 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
 16 17  2  0  0  0  0
 17 11  1  0  0  0  0
 18  6  1  0  0  0  0
 19 16  1  0  0  0  0
 20 10  2  0  0  0  0
 21 20  1  0  0  0  0
 22  7  1  0  0  0  0
 23  9  1  0  0  0  0
 24 21  2  0  0  0  0
 25 18  1  0  0  0  0
 26 19  1  0  0  0  0
 27 23  2  0  0  0  0
 28 22  2  0  0  0  0
  7  9  2  0  0  0  0
 14 24  1  0  0  0  0
 28 27  1  0  0  0  0
 16 12  1  0  0  0  0
M  END
>  <Mol_ID> (4,695)
4695

>  <Formula> (4,695)
C22H19N3O3

>  <MolWeight> (4,695)
373.40456

>  <COMPOUND_NAME> (4,695)
WAY-270582

>  <BAR_CODE_NO> (4,695)
396455

$$$$
WAY-270588
csChFnd80/06171916322D

 23 26  0  0  0  0  0  0  0  0999 V2000
   -0.4625    0.9708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3833    0.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1792    0.2708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1625    1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6625    1.8500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208    2.3958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792    0.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542    2.0500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458    0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3792    1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7167   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8000    0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6167   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4375   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2625   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9542   -1.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0542   -1.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2542   -0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2083   -0.6667    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6000   -2.3042    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.3833   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458   -1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8000   -1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  2  0  0  0  0
  6  4  2  0  0  0  0
  7  3  2  0  0  0  0
  8  4  1  0  0  0  0
  9  2  1  0  0  0  0
 10  8  1  0  0  0  0
 11  7  1  0  0  0  0
 12  9  2  0  0  0  0
 13 11  1  0  0  0  0
 14 11  2  0  0  0  0
 15 12  1  0  0  0  0
 16 17  2  0  0  0  0
 17 14  1  0  0  0  0
 18 13  2  0  0  0  0
 19 15  1  0  0  0  0
 20 16  1  0  0  0  0
 21  9  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
  5  6  1  0  0  0  0
 10  7  1  0  0  0  0
 18 16  1  0  0  0  0
 23 15  2  0  0  0  0
M  END
>  <Mol_ID> (4,696)
4696

>  <Formula> (4,696)
C16H10BrClN4S

>  <MolWeight> (4,696)
405.6994

>  <COMPOUND_NAME> (4,696)
WAY-270588

>  <BAR_CODE_NO> (4,696)
396461

$$$$
WAY-270596
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
    1.8054   -0.9713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7434   -1.5851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8054    0.2459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8675   -1.5920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7434   -2.8093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3118   -0.9713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7330    0.8666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8606    0.8597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8675   -2.7989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9434   -1.0093    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8054   -3.4231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3118   -3.4231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3842   -1.5920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7330    2.0838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8606    2.0838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9503    0.2356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3842   -2.7989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3601    2.7080    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8054    2.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4325    2.0735    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5152    1.4424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0635    3.1562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7980    1.0011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5221    0.2183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5946    2.0562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5566   -0.3955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6497    1.4321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6394    0.2080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  6 13  2  0  0  0  0
  7 14  1  0  0  0  0
  8 15  2  0  0  0  0
  8 16  1  0  0  0  0
 12 17  2  0  0  0  0
 14 18  1  0  0  0  0
 14 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 20 23  2  0  0  0  0
 21 24  2  0  0  0  0
 21 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  2  0  0  0  0
 26 28  2  0  0  0  0
  9 11  1  0  0  0  0
 13 17  1  0  0  0  0
 15 19  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (4,697)
4697

>  <Formula> (4,697)
C22H17NO4S

>  <MolWeight> (4,697)
391.43968

>  <COMPOUND_NAME> (4,697)
WAY-270596

>  <BAR_CODE_NO> (4,697)
396469

$$$$
WAY-270598
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -2.0000    2.7083    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5625    2.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2208    3.1458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458    2.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    2.4625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7625    2.2708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208    2.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5625    3.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7208    3.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9708    3.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458    2.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458    3.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208    3.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000    2.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9458    3.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1833    3.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208    1.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000    2.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6625    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  1  2  0  0  0  0
  6  1  2  0  0  0  0
  7  4  1  0  0  0  0
  8  2  1  0  0  0  0
  9  3  1  0  0  0  0
 10  3  1  0  0  0  0
 11  4  1  0  0  0  0
 12  8  2  0  0  0  0
 13 12  1  0  0  0  0
 14  7  1  0  0  0  0
 15  9  1  0  0  0  0
 16 10  1  0  0  0  0
 17 11  2  0  0  0  0
 18 17  1  0  0  0  0
 19 16  1  0  0  0  0
 19 15  1  0  0  0  0
 13  7  2  0  0  0  0
 14 18  2  0  0  0  0
M  END
>  <Mol_ID> (4,698)
4698

>  <Formula> (4,698)
C15H17NO2S

>  <MolWeight> (4,698)
275.36598

>  <COMPOUND_NAME> (4,698)
WAY-270598

>  <BAR_CODE_NO> (4,698)
396471

$$$$
WAY-270599
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -1.1338   -0.6794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5338   -0.4173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2165   -1.3415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6545   -0.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0165   -0.8173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4545    0.2378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8545   -1.4622    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6717   -1.7173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1924   -0.6794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5717    0.3585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6076   -0.5622    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0924   -1.4622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9717    0.6206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7924   -0.4001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2076   -0.3001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8662   -1.1622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3455    0.0585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2835    0.3585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9076    0.6378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7662    0.7585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9662    1.2827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8283    1.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4283    1.6827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4662    1.5689    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4835    2.3378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
  6 13  2  0  0  0  0
  9 14  2  0  0  0  0
 11 15  1  0  0  0  0
 11 16  2  0  0  0  0
 11 17  2  0  0  0  0
 15 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
 21 24  1  0  0  0  0
 23 25  1  0  0  0  0
  7  9  1  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (4,699)
4699

>  <Formula> (4,699)
C17H11ClN2O4S

>  <MolWeight> (4,699)
374.79824

>  <COMPOUND_NAME> (4,699)
WAY-270599

>  <BAR_CODE_NO> (4,699)
396472

$$$$
WAY-270603
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -3.4125    1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7333    1.3458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7333    2.2708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8500    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8500    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5875    1.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2708    1.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2708    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1333    1.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    1.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0125    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8500    1.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1333    0.7208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5958    1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5333    2.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7125    1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4292    1.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8875    2.2208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667    0.2208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0333    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9708    2.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7500    1.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7500    2.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6875    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042    2.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4500    0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500    1.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4 11  1  0  0  0  0
  5  4  1  0  0  0  0
  6  7  1  0  0  0  0
  7 13  2  0  0  0  0
  8 12  1  0  0  0  0
  9  2  1  0  0  0  0
 10  3  1  0  0  0  0
 11 18  1  0  0  0  0
 12  5  2  0  0  0  0
 13  5  1  0  0  0  0
 14  1  1  0  0  0  0
 15  4  2  0  0  0  0
 16 14  2  0  0  0  0
 17 14  1  0  0  0  0
 18 23  1  0  0  0  0
 19  6  1  0  0  0  0
 20  8  1  0  0  0  0
 21  7  1  0  0  0  0
 22 16  1  0  0  0  0
 23 17  2  0  0  0  0
 24  9  1  0  0  0  0
 25 10  1  0  0  0  0
 26 19  1  0  0  0  0
 27 20  1  0  0  0  0
 28 21  1  0  0  0  0
 29 25  2  0  0  0  0
 30 24  2  0  0  0  0
 10  9  2  0  0  0  0
 22 18  2  0  0  0  0
 29 30  1  0  0  0  0
  8  6  2  0  0  0  0
M  END
>  <Mol_ID> (4,700)
4700

>  <Formula> (4,700)
C23H21N3O4

>  <MolWeight> (4,700)
403.43054

>  <COMPOUND_NAME> (4,700)
WAY-270603

>  <BAR_CODE_NO> (4,700)
396476

$$$$
WAY-270611
csChFnd80/06171916322D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -2.3000    0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5500   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3708   -0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0625   -0.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    1.3333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4458   -1.4875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8208   -0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8500    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2000    0.7208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2208   -0.0542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8208   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5208   -1.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2625    1.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042    1.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5708    0.3333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8333   -1.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9500   -1.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7500   -0.5792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667    0.8625    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333    2.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    2.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0875    0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542    3.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9500    3.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  9  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  2  0  0  0  0
  5  1  1  0  0  0  0
  6 12  1  0  0  0  0
  7 10  1  0  0  0  0
  8  5  1  0  0  0  0
  9  1  1  0  0  0  0
 10  3  1  0  0  0  0
 11  4  1  0  0  0  0
 12  3  2  0  0  0  0
 13  8  1  0  0  0  0
 14 13  2  0  0  0  0
 15  8  2  0  0  0  0
 16 17  2  0  0  0  0
 17 11  1  0  0  0  0
 18  7  1  0  0  0  0
 19 14  1  0  0  0  0
 20 13  1  0  0  0  0
 21 14  1  0  0  0  0
 22 18  1  0  0  0  0
 23 20  2  0  0  0  0
 24 23  1  0  0  0  0
  2 11  2  0  0  0  0
 16 12  1  0  0  0  0
  7  6  2  0  0  0  0
 21 24  2  0  0  0  0
M  END
>  <Mol_ID> (4,701)
4701

>  <Formula> (4,701)
C16H10ClN3OS3

>  <MolWeight> (4,701)
391.9181

>  <COMPOUND_NAME> (4,701)
WAY-270611

>  <BAR_CODE_NO> (4,701)
396484

$$$$
WAY-270613
csChFnd80/06171916322D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -2.3333    2.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7208    2.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5000    3.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8208    1.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4458    2.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9708    3.2708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6208    4.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9833    1.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8500    3.0208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7458    4.0167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6958    1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2833    2.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833    1.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792    0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4458    0.7625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2708    1.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4708    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1292    4.8375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833   -0.0292    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542    2.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792    0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7208    5.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542    2.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7167    1.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  9  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  2  0  0  0  0
  5  1  1  0  0  0  0
  6 12  1  0  0  0  0
  7 10  1  0  0  0  0
  8  5  1  0  0  0  0
  9  1  1  0  0  0  0
 10  3  1  0  0  0  0
 11  4  1  0  0  0  0
 12  3  2  0  0  0  0
 13  8  1  0  0  0  0
 14 13  2  0  0  0  0
 15  8  2  0  0  0  0
 16 17  2  0  0  0  0
 17 11  1  0  0  0  0
 18  7  1  0  0  0  0
 19 14  1  0  0  0  0
 20 13  1  0  0  0  0
 21 14  1  0  0  0  0
 22 18  1  0  0  0  0
 23 20  2  0  0  0  0
 24 23  1  0  0  0  0
  2 11  2  0  0  0  0
 16 12  1  0  0  0  0
  7  6  2  0  0  0  0
 24 21  2  0  0  0  0
M  END
>  <Mol_ID> (4,702)
4702

>  <Formula> (4,702)
C16H10FN3OS3

>  <MolWeight> (4,702)
375.4635032

>  <COMPOUND_NAME> (4,702)
WAY-270613

>  <BAR_CODE_NO> (4,702)
396486

$$$$
WAY-270623
csChFnd80/06171916322D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -1.3708   -0.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6708   -0.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8500   -0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8500   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708   -1.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3500   -1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2333   -0.6042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.0292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333    1.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167   -0.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167   -0.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2125    2.1833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5708    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5125    1.5458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2125    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958    1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6000   -0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6000   -1.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792   -0.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  2  0  0  0  0
  7  2  2  0  0  0  0
  8  4  2  0  0  0  0
  9 16  1  0  0  0  0
 10 11  1  0  0  0  0
 11  6  1  0  0  0  0
 12  9  2  0  0  0  0
 13  1  1  0  0  0  0
 14  9  1  0  0  0  0
 15 13  1  0  0  0  0
 16 15  1  0  0  0  0
 17 10  2  0  0  0  0
 18 11  2  0  0  0  0
 19 20  2  0  0  0  0
 20 18  1  0  0  0  0
  3  5  1  0  0  0  0
 19 17  1  0  0  0  0
M  END
>  <Mol_ID> (4,703)
4703

>  <Formula> (4,703)
C13H12N2O3S2

>  <MolWeight> (4,703)
308.37598

>  <COMPOUND_NAME> (4,703)
WAY-270623

>  <BAR_CODE_NO> (4,703)
396496

$$$$
WAY-270630
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -0.1708   -0.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458   -1.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6500   -0.6500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.6625    0.8000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2000   -0.0042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.9833   -1.3875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.9125    1.5708    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.3375   -1.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2333    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2708   -0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2208    0.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6000    2.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -2.6542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667    1.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1500   -2.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2875   -0.7542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3167    1.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0500    2.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4875    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8  5  1  0  0  0  0
  9  6  1  0  0  0  0
 10  8  1  0  0  0  0
 11  7  1  0  0  0  0
 12  7  1  0  0  0  0
 13  2  2  0  0  0  0
 14  3  2  0  0  0  0
 15  6  1  0  0  0  0
 16  9  2  0  0  0  0
 17  9  1  0  0  0  0
 18 15  1  0  0  0  0
 19 18  1  0  0  0  0
 20 18  1  0  0  0  0
  4  5  1  0  0  0  0
  8 12  1  0  0  0  0
 10 11  2  0  0  0  0
M  END
>  <Mol_ID> (4,704)
4704

>  <Formula> (4,704)
C15H19NO4

>  <MolWeight> (4,704)
277.31566

>  <COMPOUND_NAME> (4,704)
WAY-270630

>  <BAR_CODE_NO> (4,704)
396505

$$$$
WAY-270631
csChFnd80/06171916322D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -1.5208    0.7833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8708    1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0125    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7500    0.5000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.7500    1.1625    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.4000    1.6208    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.5000    0.0458    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -4.0833    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0833    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0500    0.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208    2.1125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7500   -0.5542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2000    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    0.1833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8125    1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5500    1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  5  1  0  0  0  0
  7  4  1  0  0  0  0
  8  6  1  0  0  0  0
  9  7  1  0  0  0  0
 10  7  1  0  0  0  0
 11  2  2  0  0  0  0
 12  3  2  0  0  0  0
 13 18  1  0  0  0  0
 14 13  2  0  0  0  0
 15  1  1  0  0  0  0
 16 13  1  0  0  0  0
 17 15  1  0  0  0  0
 18 17  1  0  0  0  0
  5  4  1  0  0  0  0
 10  6  1  0  0  0  0
  9  8  2  0  0  0  0
M  END
>  <Mol_ID> (4,705)
4705

>  <Formula> (4,705)
C13H15NO4

>  <MolWeight> (4,705)
249.2625

>  <COMPOUND_NAME> (4,705)
WAY-270631

>  <BAR_CODE_NO> (4,705)
396502

$$$$
WAY-270632
csChFnd80/06171916322D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -1.5208    0.7833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8708    1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0125    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7500    0.5000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.7500    1.1625    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.4000    1.6208    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.5000    0.0458    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.8125    0.8208    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -4.0833    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0833    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0500    0.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000    0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208    2.1125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7500   -0.5542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4625   -0.0792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3000    0.5708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7708    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  5  1  0  0  0  0
  7  4  1  0  0  0  0
  8  1  1  0  0  0  0
  9  7  1  0  0  0  0
 10  6  1  0  0  0  0
 11  7  1  0  0  0  0
 12  8  1  0  0  0  0
 13  2  2  0  0  0  0
 14  3  2  0  0  0  0
 15 12  2  0  0  0  0
 16 12  1  0  0  0  0
 17  8  1  0  0  0  0
  4  5  1  0  0  0  0
  6 11  1  0  0  0  0
 10  9  2  0  0  0  0
M  END
>  <Mol_ID> (4,706)
4706

>  <Formula> (4,706)
C12H13NO4

>  <MolWeight> (4,706)
235.23592

>  <COMPOUND_NAME> (4,706)
WAY-270632

>  <BAR_CODE_NO> (4,706)
396508

$$$$
WAY-270645
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    3.1167   -2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417   -2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8542   -3.5750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417   -1.4792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792   -2.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292   -1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0292   -3.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9167   -2.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0167   -1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292   -0.2417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5167   -3.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0167   -2.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042   -1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1042   -1.7750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042   -2.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -2.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9750   -2.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792   -4.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1375   -2.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167   -3.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792   -4.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  3  1  0  0  0  0
  8  1  1  0  0  0  0
  9  6  1  0  0  0  0
 10  6  2  0  0  0  0
 11  8  2  0  0  0  0
 12  9  1  0  0  0  0
 13  9  2  0  0  0  0
 14  8  1  0  0  0  0
 15 13  1  0  0  0  0
 16 12  2  0  0  0  0
 17 15  2  0  0  0  0
 18  5  1  0  0  0  0
 19  7  1  0  0  0  0
 20 17  1  0  0  0  0
 21 18  2  0  0  0  0
 22 19  2  0  0  0  0
  7  5  2  0  0  0  0
 21 22  1  0  0  0  0
 17 16  1  0  0  0  0
M  END
>  <Mol_ID> (4,707)
4707

>  <Formula> (4,707)
C17H14N2O3

>  <MolWeight> (4,707)
294.30466

>  <COMPOUND_NAME> (4,707)
WAY-270645

>  <BAR_CODE_NO> (4,707)
396520

$$$$
WAY-270646
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    3.5542   -1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8792   -1.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2875   -2.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8792   -0.2292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042   -1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1625    0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4625   -2.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3542   -1.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4417   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1792    0.9375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9542   -1.8917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7250    0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5417   -0.5250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000   -1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9042   -2.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4417   -1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7292   -1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042   -1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7125    0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417   -1.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1000   -2.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  3  1  0  0  0  0
  8  1  1  0  0  0  0
  9  6  1  0  0  0  0
 10  6  2  0  0  0  0
 11  8  2  0  0  0  0
 12  9  2  0  0  0  0
 13  8  1  0  0  0  0
 14 12  1  0  0  0  0
 15  5  1  0  0  0  0
 16  7  1  0  0  0  0
 17  9  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 14  1  0  0  0  0
 21 15  2  0  0  0  0
 22 16  2  0  0  0  0
  7  5  2  0  0  0  0
 21 22  1  0  0  0  0
 14 19  2  0  0  0  0
M  END
>  <Mol_ID> (4,708)
4708

>  <Formula> (4,708)
C17H14N2O3

>  <MolWeight> (4,708)
294.30466

>  <COMPOUND_NAME> (4,708)
WAY-270646

>  <BAR_CODE_NO> (4,708)
396521

$$$$
WAY-270647
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -3.1958    2.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708    2.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4250    1.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708    3.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5208    2.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    4.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2375    1.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4375    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1625    5.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    3.7958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833    2.2833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708    5.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3125    3.6208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8583    6.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    6.7000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -5.3208    2.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7708    1.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    5.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    6.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1708    6.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8625    1.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5958    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  3  1  0  0  0  0
  8  1  1  0  0  0  0
  9  6  1  0  0  0  0
 10  6  2  0  0  0  0
 11  8  2  0  0  0  0
 12  9  1  0  0  0  0
 13  8  1  0  0  0  0
 14 12  2  0  0  0  0
 15 14  1  0  0  0  0
 16  5  1  0  0  0  0
 17  7  1  0  0  0  0
 18  9  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 16  2  0  0  0  0
 22 17  2  0  0  0  0
  7  5  2  0  0  0  0
 21 22  1  0  0  0  0
 20 14  1  0  0  0  0
M  END
>  <Mol_ID> (4,709)
4709

>  <Formula> (4,709)
C16H11ClN2O3

>  <MolWeight> (4,709)
314.72314

>  <COMPOUND_NAME> (4,709)
WAY-270647

>  <BAR_CODE_NO> (4,709)
396522

$$$$
WAY-270648
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -3.1958    2.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708    2.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4250    1.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708    3.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    4.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5208    2.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1500    5.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2375    1.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4375    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708    5.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    3.8083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833    2.2833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3125    3.6208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    5.0292    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -5.3208    2.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    5.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7708    1.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8750    6.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4583    6.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8625    1.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5958    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1708    6.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  2  1  0  0  0  0
  7  5  1  0  0  0  0
  8  3  1  0  0  0  0
  9  1  1  0  0  0  0
 10  7  1  0  0  0  0
 11  5  2  0  0  0  0
 12  9  2  0  0  0  0
 13  9  1  0  0  0  0
 14 10  1  0  0  0  0
 15  6  1  0  0  0  0
 16  7  2  0  0  0  0
 17  8  1  0  0  0  0
 18 10  2  0  0  0  0
 19 16  1  0  0  0  0
 20 15  2  0  0  0  0
 21 17  2  0  0  0  0
 22 19  2  0  0  0  0
  8  6  2  0  0  0  0
 20 21  1  0  0  0  0
 22 18  1  0  0  0  0
M  END
>  <Mol_ID> (4,710)
4710

>  <Formula> (4,710)
C16H11ClN2O3

>  <MolWeight> (4,710)
314.72314

>  <COMPOUND_NAME> (4,710)
WAY-270648

>  <BAR_CODE_NO> (4,710)
396523

$$$$
WAY-270649
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
    3.1167   -3.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417   -2.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8542   -3.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417   -1.6917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1625   -1.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0292   -3.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9167   -2.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1625   -0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1667    2.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1625    1.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8792   -1.6917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5167   -3.3417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8750   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8750    0.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417    0.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1042   -1.9792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9750   -2.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792   -4.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3417    2.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9917    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1792    2.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167   -3.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792   -4.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  3  1  0  0  0  0
  8  1  1  0  0  0  0
  9  6  1  0  0  0  0
 10 11  1  0  0  0  0
 11 17  1  0  0  0  0
 12  6  2  0  0  0  0
 13  8  2  0  0  0  0
 14  9  2  0  0  0  0
 15  9  1  0  0  0  0
 16 14  1  0  0  0  0
 17 15  2  0  0  0  0
 18  8  1  0  0  0  0
 19  5  1  0  0  0  0
 20  7  1  0  0  0  0
 21 10  1  0  0  0  0
 22 10  1  0  0  0  0
 23 10  1  0  0  0  0
 24 19  2  0  0  0  0
 25 20  2  0  0  0  0
  7  5  2  0  0  0  0
 24 25  1  0  0  0  0
 16 11  2  0  0  0  0
M  END
>  <Mol_ID> (4,711)
4711

>  <Formula> (4,711)
C20H20N2O3

>  <MolWeight> (4,711)
336.3844

>  <COMPOUND_NAME> (4,711)
WAY-270649

>  <BAR_CODE_NO> (4,711)
396524

$$$$
WAY-270650
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -3.1958    2.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708    2.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4250    1.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708    3.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5208    2.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    4.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2375    1.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4375    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1833    5.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4583    3.7833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833    2.2833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4625    5.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8750    5.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3125    3.6208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1708    6.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4750    6.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9000    6.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3208    2.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7708    1.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1375    7.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4083    7.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8625    1.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5958    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  3  1  0  0  0  0
  8  1  1  0  0  0  0
  9  6  1  0  0  0  0
 10  6  2  0  0  0  0
 11  8  2  0  0  0  0
 12  9  2  0  0  0  0
 13  9  1  0  0  0  0
 14  8  1  0  0  0  0
 15 17  1  0  0  0  0
 16 12  1  0  0  0  0
 17 13  2  0  0  0  0
 18  5  1  0  0  0  0
 19  7  1  0  0  0  0
 20 15  1  0  0  0  0
 21 20  1  0  0  0  0
 22 18  2  0  0  0  0
 23 19  2  0  0  0  0
  7  5  2  0  0  0  0
 22 23  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <Mol_ID> (4,712)
4712

>  <Formula> (4,712)
C17H14N2O4

>  <MolWeight> (4,712)
310.30406

>  <COMPOUND_NAME> (4,712)
WAY-270650

>  <BAR_CODE_NO> (4,712)
396525

$$$$
WAY-270651
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -3.1958    2.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708    2.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4250    1.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708    3.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5208    2.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    4.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2375    1.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4375    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1833    5.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4583    3.7833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833    2.2833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708    5.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3125    3.6208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8958    6.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3208    2.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6333    6.6042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7708    1.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4625    5.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4708    6.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1708    6.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6833    7.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8625    1.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5958    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  3  1  0  0  0  0
  8  1  1  0  0  0  0
  9  6  1  0  0  0  0
 10  6  2  0  0  0  0
 11  8  2  0  0  0  0
 12  9  1  0  0  0  0
 13  8  1  0  0  0  0
 14 12  2  0  0  0  0
 15  5  1  0  0  0  0
 16 14  1  0  0  0  0
 17  7  1  0  0  0  0
 18  9  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 16  1  0  0  0  0
 22 15  2  0  0  0  0
 23 17  2  0  0  0  0
  7  5  2  0  0  0  0
 22 23  1  0  0  0  0
 14 20  1  0  0  0  0
M  END
>  <Mol_ID> (4,713)
4713

>  <Formula> (4,713)
C17H14N2O4

>  <MolWeight> (4,713)
310.30406

>  <COMPOUND_NAME> (4,713)
WAY-270651

>  <BAR_CODE_NO> (4,713)
396526

$$$$
WAY-270652
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    3.0667   -2.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3917   -2.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000   -3.5792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3917   -1.4875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6792   -1.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667   -1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7250   -2.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9792   -3.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8625   -2.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2500   -1.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667   -2.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4708   -1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6792   -0.2417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4625   -3.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4708   -2.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0500   -1.7792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2500   -0.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.2542   -2.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1958   -2.7292    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.9167   -2.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4250   -4.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667   -3.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6250   -4.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  2  1  0  0  0  0
  8  3  1  0  0  0  0
  9  1  1  0  0  0  0
 10  6  2  0  0  0  0
 11  6  1  0  0  0  0
 12 10  1  0  0  0  0
 13  5  2  0  0  0  0
 14  9  2  0  0  0  0
 15 18  1  0  0  0  0
 16  9  1  0  0  0  0
 17 10  1  0  0  0  0
 18 11  2  0  0  0  0
 19 15  1  0  0  0  0
 20  7  1  0  0  0  0
 21  8  1  0  0  0  0
 22 20  2  0  0  0  0
 23 21  2  0  0  0  0
  8  7  2  0  0  0  0
 22 23  1  0  0  0  0
 15 12  2  0  0  0  0
M  END
>  <Mol_ID> (4,714)
4714

>  <Formula> (4,714)
C16H10Cl2N2O3

>  <MolWeight> (4,714)
349.1682

>  <COMPOUND_NAME> (4,714)
WAY-270652

>  <BAR_CODE_NO> (4,714)
396527

$$$$
WAY-270653
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    3.0292   -2.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542   -1.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7625   -3.1625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542   -1.0667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6875   -2.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6417   -0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9417   -3.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8250   -2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292   -1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292   -1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2125   -0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6417    0.1708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083   -1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167   -2.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083   -1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4250   -2.7167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0125   -1.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0250   -3.1875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.2250   -0.6500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.8792   -2.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3875   -3.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292   -2.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5875   -3.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  3  1  0  0  0  0
  8  1  1  0  0  0  0
  9  6  1  0  0  0  0
 10  9  1  0  0  0  0
 11  9  2  0  0  0  0
 12  6  2  0  0  0  0
 13 11  1  0  0  0  0
 14 10  2  0  0  0  0
 15 13  2  0  0  0  0
 16  8  2  0  0  0  0
 17  8  1  0  0  0  0
 18 14  1  0  0  0  0
 19 13  1  0  0  0  0
 20  5  1  0  0  0  0
 21  7  1  0  0  0  0
 22 20  2  0  0  0  0
 23 21  2  0  0  0  0
  7  5  2  0  0  0  0
 22 23  1  0  0  0  0
 15 14  1  0  0  0  0
M  END
>  <Mol_ID> (4,715)
4715

>  <Formula> (4,715)
C16H10Cl2N2O3

>  <MolWeight> (4,715)
349.1682

>  <COMPOUND_NAME> (4,715)
WAY-270653

>  <BAR_CODE_NO> (4,715)
396528

$$$$
WAY-270654
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -3.1958    2.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708    2.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4250    1.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708    3.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5208    2.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    4.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2375    1.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4375    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    5.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    3.8083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833    2.2833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8583    5.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4250    5.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3125    3.6208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1500    6.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8583    6.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4250    6.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3208    2.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7708    1.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1500    7.4917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8583    7.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8625    1.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5958    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8583    8.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  3  1  0  0  0  0
  8  1  1  0  0  0  0
  9  6  1  0  0  0  0
 10  6  2  0  0  0  0
 11  8  2  0  0  0  0
 12  9  1  0  0  0  0
 13  9  2  0  0  0  0
 14  8  1  0  0  0  0
 15 17  2  0  0  0  0
 16 12  2  0  0  0  0
 17 13  1  0  0  0  0
 18  5  1  0  0  0  0
 19  7  1  0  0  0  0
 20 15  1  0  0  0  0
 21 20  1  0  0  0  0
 22 18  2  0  0  0  0
 23 19  2  0  0  0  0
 24 21  1  0  0  0  0
  7  5  2  0  0  0  0
 22 23  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (4,716)
4716

>  <Formula> (4,716)
C18H16N2O4

>  <MolWeight> (4,716)
324.33064

>  <COMPOUND_NAME> (4,716)
WAY-270654

>  <BAR_CODE_NO> (4,716)
396529

$$$$
WAY-270661
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -3.1958    2.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708    2.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4250    1.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708    3.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    4.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    5.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5208    2.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2375    1.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4375    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4708    5.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8958    5.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4625    3.8083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833    2.2833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4750    6.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3125    3.6208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8958    6.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458    5.0292    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.1708    6.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6250    6.6667    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -5.3208    2.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7708    1.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8625    1.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5958    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  2  1  0  0  0  0
  8  3  1  0  0  0  0
  9  1  1  0  0  0  0
 10  6  2  0  0  0  0
 11  6  1  0  0  0  0
 12  5  2  0  0  0  0
 13  9  2  0  0  0  0
 14 10  1  0  0  0  0
 15  9  1  0  0  0  0
 16 11  2  0  0  0  0
 17 10  1  0  0  0  0
 18 16  1  0  0  0  0
 19 16  1  0  0  0  0
 20  7  1  0  0  0  0
 21  8  1  0  0  0  0
 22 20  2  0  0  0  0
 23 21  2  0  0  0  0
  8  7  2  0  0  0  0
 22 23  1  0  0  0  0
 18 14  2  0  0  0  0
M  END
>  <Mol_ID> (4,717)
4717

>  <Formula> (4,717)
C16H10Cl2N2O3

>  <MolWeight> (4,717)
349.1682

>  <COMPOUND_NAME> (4,717)
WAY-270661

>  <BAR_CODE_NO> (4,717)
396536

$$$$
WAY-270664
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -3.1958    2.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708    2.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4250    1.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708    3.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    4.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5208    2.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    5.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2375    1.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4375    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    5.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4500    3.8083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833    2.2833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3125    3.6208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7500    4.9625    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3208    2.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8583    5.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7708    1.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4333    6.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8833    6.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8625    1.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5958    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1333    6.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  2  1  0  0  0  0
  7  5  1  0  0  0  0
  8  3  1  0  0  0  0
  9  1  1  0  0  0  0
 10  7  2  0  0  0  0
 11  5  2  0  0  0  0
 12  9  2  0  0  0  0
 13  9  1  0  0  0  0
 14 10  1  0  0  0  0
 15  6  1  0  0  0  0
 16  7  1  0  0  0  0
 17  8  1  0  0  0  0
 18 10  1  0  0  0  0
 19 16  2  0  0  0  0
 20 15  2  0  0  0  0
 21 17  2  0  0  0  0
 22 19  1  0  0  0  0
  8  6  2  0  0  0  0
 20 21  1  0  0  0  0
 22 18  2  0  0  0  0
M  END
>  <Mol_ID> (4,718)
4718

>  <Formula> (4,718)
C16H11IN2O3

>  <MolWeight> (4,718)
406.17461

>  <COMPOUND_NAME> (4,718)
WAY-270664

>  <BAR_CODE_NO> (4,718)
396539

$$$$
WAY-270665
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -3.1958    2.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708    2.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4250    1.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    4.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708    3.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5208    2.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    5.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2375    1.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4375    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4500    3.8083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4375    5.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8583    5.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833    2.2833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3125    3.6208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3208    2.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7583    4.9542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5500    5.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7708    1.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1333    6.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708    6.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4250    6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2833    5.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7958    4.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8625    1.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5958    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5  2  1  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8  3  1  0  0  0  0
  9  1  1  0  0  0  0
 10  4  2  0  0  0  0
 11  7  2  0  0  0  0
 12  7  1  0  0  0  0
 13  9  2  0  0  0  0
 14  9  1  0  0  0  0
 15  6  1  0  0  0  0
 16 11  1  0  0  0  0
 17 12  1  0  0  0  0
 18  8  1  0  0  0  0
 19 20  1  0  0  0  0
 20 12  2  0  0  0  0
 21 11  1  0  0  0  0
 22 17  1  0  0  0  0
 23 16  1  0  0  0  0
 24 15  2  0  0  0  0
 25 18  2  0  0  0  0
  8  6  2  0  0  0  0
 24 25  1  0  0  0  0
 21 19  2  0  0  0  0
M  END
>  <Mol_ID> (4,719)
4719

>  <Formula> (4,719)
C18H16N2O5

>  <MolWeight> (4,719)
340.33004

>  <COMPOUND_NAME> (4,719)
WAY-270665

>  <BAR_CODE_NO> (4,719)
396540

$$$$
WAY-270711
csChFnd80/06171916322D

 21 24  0  0  0  0  0  0  0  0999 V2000
   -2.3208   -0.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083   -1.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000    1.2625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458    0.5208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000   -1.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2000    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2625    0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208   -0.3000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.4000   -1.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667    0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7792   -1.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917   -0.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792    0.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6875   -1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1000   -0.4875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.9458   -0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0625    1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7708   -0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8208    0.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  2  0  0  0  0
  9  6  1  0  0  0  0
 10  3  2  0  0  0  0
 11  9  1  0  0  0  0
 12 11  1  0  0  0  0
 13 11  2  0  0  0  0
 14 16  2  0  0  0  0
 15 12  2  0  0  0  0
 16 13  1  0  0  0  0
 17 14  1  0  0  0  0
 18  7  1  0  0  0  0
 19  8  1  0  0  0  0
 20 18  2  0  0  0  0
 21 20  1  0  0  0  0
  8  4  1  0  0  0  0
  5  9  1  0  0  0  0
 21 19  2  0  0  0  0
 15 14  1  0  0  0  0
M  END
>  <Mol_ID> (4,720)
4720

>  <Formula> (4,720)
C16H11ClN2OS

>  <MolWeight> (4,720)
314.78934

>  <COMPOUND_NAME> (4,720)
WAY-270711

>  <BAR_CODE_NO> (4,720)
396587

$$$$
WAY-270724
csChFnd80/06171916322D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -0.1819    1.0501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1284    0.6363    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1819    2.4328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3578    0.3570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9146    1.7191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6146   -0.7016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1284    2.8466    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3578    3.1225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5543    1.0501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2939    1.6949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7146   -1.7361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5543    2.4328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1974   -3.0051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5992   -1.4844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3250   -4.0637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4957   -2.5430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0336   -3.8085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  8 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
  5  7  2  0  0  0  0
  9 12  2  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (4,721)
4721

>  <Formula> (4,721)
C15H14N2

>  <MolWeight> (4,721)
222.28506

>  <COMPOUND_NAME> (4,721)
WAY-270724

>  <BAR_CODE_NO> (4,721)
396602

$$$$
WAY-270745
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
    4.9750   -1.3667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3417   -2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0292   -2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7625   -2.6792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.1625   -1.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2917   -2.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167   -1.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1750   -2.1042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8375   -2.5250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6000   -2.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667   -1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5542   -1.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000   -1.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5792   -0.9042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8250   -2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542   -1.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1250   -2.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958   -2.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7708   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1500   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5875   -1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5917   -2.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4042   -1.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4167   -2.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9708   -2.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  5  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  2  0  0  0  0
  7  9  1  0  0  0  0
  8  2  1  0  0  0  0
  9 10  1  0  0  0  0
 10  6  1  0  0  0  0
 11 12  1  0  0  0  0
 12 10  2  0  0  0  0
 13  7  1  0  0  0  0
 14  5  2  0  0  0  0
 15 24  1  0  0  0  0
 16 13  2  0  0  0  0
 17 13  1  0  0  0  0
 18 17  2  0  0  0  0
 19 16  1  0  0  0  0
 20 18  1  0  0  0  0
 21  8  1  0  0  0  0
 22  8  1  0  0  0  0
 23 21  1  0  0  0  0
 24 22  1  0  0  0  0
 25 20  1  0  0  0  0
  4  3  1  0  0  0  0
 23 15  1  0  0  0  0
  7 11  2  0  0  0  0
 20 19  2  0  0  0  0
M  END
>  <Mol_ID> (4,722)
4722

>  <Formula> (4,722)
C19H18N2O3S

>  <MolWeight> (4,722)
354.42282

>  <COMPOUND_NAME> (4,722)
WAY-270745

>  <BAR_CODE_NO> (4,722)
396624

$$$$
WAY-270749
csChFnd80/06171916322D

 28 30  0  0  0  0  0  0  0  0999 V2000
    3.1167   -1.8667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.1167   -1.0417    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.8292   -0.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5417   -1.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2917   -1.8625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9417   -1.8667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1167   -2.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -0.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2542   -0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5500   -1.8542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6792   -1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9667   -1.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2417    0.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667    0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6750    0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667   -0.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6792    0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9542    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6792   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542    0.6125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.3875    0.6375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3917   -3.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8167   -3.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3792    1.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792   -3.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8167   -3.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1000   -4.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  2  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  4  1  0  0  0  0
 10  4  2  0  0  0  0
 11  8  1  0  0  0  0
 12  8  2  0  0  0  0
 13  9  2  0  0  0  0
 14  9  1  0  0  0  0
 15 17  2  0  0  0  0
 16 19  1  0  0  0  0
 17 12  1  0  0  0  0
 18 11  2  0  0  0  0
 19 14  2  0  0  0  0
 20 13  1  0  0  0  0
 21 15  1  0  0  0  0
 22 16  1  0  0  0  0
 23  7  2  0  0  0  0
 24  7  1  0  0  0  0
 25 22  1  0  0  0  0
 26 23  1  0  0  0  0
 27 24  2  0  0  0  0
 28 27  1  0  0  0  0
 28 26  2  0  0  0  0
 15 18  1  0  0  0  0
 16 20  2  0  0  0  0
M  END
>  <Mol_ID> (4,723)
4723

>  <Formula> (4,723)
C22H19ClO4S

>  <MolWeight> (4,723)
414.90186

>  <COMPOUND_NAME> (4,723)
WAY-270749

>  <BAR_CODE_NO> (4,723)
396628

$$$$
WAY-270751
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
    0.0292    0.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5875    0.4708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5875   -0.1667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292    1.4333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5500    0.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5500   -0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292   -1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5875   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292    2.7333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5875   -2.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5875    1.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5500    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292   -2.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5500   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5500   -2.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5500    2.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5875    2.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1125    0.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1125   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292    3.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667   -2.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292   -3.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6708    0.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6708   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  7  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  2  0  0  0  0
  8  4  1  0  0  0  0
  9  8  1  0  0  0  0
 10 17  1  0  0  0  0
 11  9  2  0  0  0  0
 12  5  1  0  0  0  0
 13  5  1  0  0  0  0
 14 16  2  0  0  0  0
 15  8  2  0  0  0  0
 16 15  1  0  0  0  0
 17 13  1  0  0  0  0
 18 12  1  0  0  0  0
 19  6  1  0  0  0  0
 20  7  1  0  0  0  0
 21 10  1  0  0  0  0
 22 11  1  0  0  0  0
 23 14  1  0  0  0  0
 24 19  2  0  0  0  0
 25 24  1  0  0  0  0
  3  4  2  0  0  0  0
 18 10  1  0  0  0  0
 20 25  2  0  0  0  0
 14 11  1  0  0  0  0
M  END
>  <Mol_ID> (4,724)
4724

>  <Formula> (4,724)
C21H24N4

>  <MolWeight> (4,724)
332.44206

>  <COMPOUND_NAME> (4,724)
WAY-270751

>  <BAR_CODE_NO> (4,724)
396630

$$$$
WAY-270756
csChFnd80/06171916322D

 23 27  0  0  0  0  0  0  0  0999 V2000
   -1.7958    0.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708    0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3125    0.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4125   -0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6333    0.2958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9500   -0.4500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0125    0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5333    0.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0125   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667   -0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8125    0.3333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667    0.6125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958   -0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042    0.0708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0958   -0.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7958    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8500    1.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0958    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6125    1.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  2  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  2  0  0  0  0
  9  4  2  0  0  0  0
 10 17  2  0  0  0  0
 11 18  2  0  0  0  0
 12  3  2  0  0  0  0
 13 10  1  0  0  0  0
 14  9  1  0  0  0  0
 15 11  1  0  0  0  0
 16 13  1  0  0  0  0
 17 14  1  0  0  0  0
 18 19  1  0  0  0  0
 19 14  2  0  0  0  0
 20  7  1  0  0  0  0
 21  8  1  0  0  0  0
 22 20  2  0  0  0  0
 23 22  1  0  0  0  0
  8  5  1  0  0  0  0
  6  4  1  0  0  0  0
 21 23  2  0  0  0  0
 11 10  1  0  0  0  0
 16 15  1  0  0  0  0
M  END
>  <Mol_ID> (4,725)
4725

>  <Formula> (4,725)
C17H10N2O3S

>  <MolWeight> (4,725)
322.3379

>  <COMPOUND_NAME> (4,725)
WAY-270756

>  <BAR_CODE_NO> (4,725)
396635

$$$$
WAY-270770
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.0574    0.3400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5849    1.2538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0047    0.3400    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5849   -0.5738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6367    1.2538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0539    2.1711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0047   -0.7220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0116    1.4021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0668    0.3400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6367   -0.5738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1643    0.3366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1643    2.1711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5849    3.0814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9219   -1.2565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0909   -1.2496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6367    3.0814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9185   -2.3220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0840   -2.3117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9978   -2.8496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0047   -3.9117    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  3  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  2  0  0  0  0
  7 14  1  0  0  0  0
  7 15  2  0  0  0  0
 12 16  2  0  0  0  0
 14 17  2  0  0  0  0
 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 10 11  1  0  0  0  0
 13 16  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (4,726)
4726

>  <Formula> (4,726)
C15H14FNO2S

>  <MolWeight> (4,726)
291.3405632

>  <COMPOUND_NAME> (4,726)
WAY-270770

>  <BAR_CODE_NO> (4,726)
396650

$$$$
WAY-270775
csChFnd80/06171916322D

 32 35  0  0  0  0  0  0  0  0999 V2000
    7.6917    4.6542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2917    4.8042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3917    3.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0917    2.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0167    6.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2542    5.9167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2292    6.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4417    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7667    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4875    0.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7542    6.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5542    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6625    8.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3542    8.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6042    6.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1792    2.7583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4042    6.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917    7.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7542    7.0417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5875    5.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1167    7.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5375    5.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3292    6.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9375    5.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4667    7.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0292    0.1458    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.1667   10.1167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792    8.4875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6417    6.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1792    8.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8625   10.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  2  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  4  1  0  0  0  0
  9  8  1  0  0  0  0
 10  4  2  0  0  0  0
 11  5  1  0  0  0  0
 12 10  1  0  0  0  0
 13 11  2  0  0  0  0
 14 13  1  0  0  0  0
 15  6  1  0  0  0  0
 16  3  2  0  0  0  0
 17 24  2  0  0  0  0
 18 23  1  0  0  0  0
 19 17  1  0  0  0  0
 20 11  1  0  0  0  0
 21 15  1  0  0  0  0
 22 15  2  0  0  0  0
 23 20  2  0  0  0  0
 24 22  1  0  0  0  0
 25 21  2  0  0  0  0
 26  9  1  0  0  0  0
 27 14  1  0  0  0  0
 28 18  1  0  0  0  0
 29 19  1  0  0  0  0
 30 19  1  0  0  0  0
 31 27  1  0  0  0  0
 32 28  1  0  0  0  0
  7  5  1  0  0  0  0
 17 25  1  0  0  0  0
  9 12  2  0  0  0  0
 18 14  2  0  0  0  0
M  END
>  <Mol_ID> (4,727)
4727

>  <Formula> (4,727)
C24H24BrN3O4

>  <MolWeight> (4,727)
498.36906

>  <COMPOUND_NAME> (4,727)
WAY-270775

>  <BAR_CODE_NO> (4,727)
396655

$$$$
WAY-270778
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    0.1138   -0.2238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5862    0.0451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3448    0.0451    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1138   -0.7618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5862    0.5865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0448   -0.2238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8138   -0.2238    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5862   -1.0342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0448    0.8555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1138    0.8555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0448   -0.7618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2862   -0.4928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5448   -0.6928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0862    0.2451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0448    1.3865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5138    0.5865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7448   -0.2238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2862   -1.0342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5138    1.6555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9862    0.8555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2138   -0.4928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7448   -1.3031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9862    1.3865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2138   -1.0342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  7 13  2  0  0  0  0
  7 14  2  0  0  0  0
  9 15  2  0  0  0  0
  9 16  1  0  0  0  0
 12 17  2  0  0  0  0
 12 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  2  0  0  0  0
 17 21  1  0  0  0  0
 18 22  2  0  0  0  0
 19 23  2  0  0  0  0
 21 24  2  0  0  0  0
  8 11  1  0  0  0  0
 20 23  1  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <Mol_ID> (4,728)
4728

>  <Formula> (4,728)
C19H15NO3S

>  <MolWeight> (4,728)
337.3923

>  <COMPOUND_NAME> (4,728)
WAY-270778

>  <BAR_CODE_NO> (4,728)
396658

$$$$
WAY-270780
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
    0.8042   -1.2750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8042   -2.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792   -0.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0875   -2.5250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333   -1.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333   -2.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5250   -2.5167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.3792   -4.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0750   -0.0292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6667   -4.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5167   -0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0917   -4.5667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2292   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6625   -3.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9542   -4.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9417   -0.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5250   -3.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2417   -3.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3875   -5.8042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3500   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2375   -4.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9500   -3.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3500   -2.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750   -6.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0625   -1.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0625   -2.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  2  1  0  0  0  0
  8 10  1  0  0  0  0
  9  3  2  0  0  0  0
 10 14  1  0  0  0  0
 11  1  1  0  0  0  0
 12  8  2  0  0  0  0
 13 11  1  0  0  0  0
 14 22  2  0  0  0  0
 15 21  1  0  0  0  0
 16 13  2  0  0  0  0
 17  7  1  0  0  0  0
 18 17  1  0  0  0  0
 19  8  1  0  0  0  0
 20  5  2  0  0  0  0
 21 18  2  0  0  0  0
 22 18  1  0  0  0  0
 23  6  2  0  0  0  0
 24 19  1  0  0  0  0
 25 20  1  0  0  0  0
 26 25  2  0  0  0  0
  4  6  1  0  0  0  0
 26 23  1  0  0  0  0
 10 15  2  0  0  0  0
M  END
>  <Mol_ID> (4,729)
4729

>  <Formula> (4,729)
C20H18N2O3S

>  <MolWeight> (4,729)
366.43352

>  <COMPOUND_NAME> (4,729)
WAY-270780

>  <BAR_CODE_NO> (4,729)
396660

$$$$
WAY-270781
csChFnd80/06171916322D

 29 31  0  0  0  0  0  0  0  0999 V2000
   -1.4833   -0.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5208   -1.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7458   -0.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2458   -0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2833   -1.6375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5625   -0.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7375    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9625   -1.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1167    0.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8625   -1.9167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7208   -2.4375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9542    0.3833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4833    0.4833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3375    0.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3833   -2.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7042    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7833   -1.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0208   -2.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542   -0.9792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8625   -0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3167    1.4500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.5667    0.6208    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.5542    1.6458    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833   -0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542    0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2542   -0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6292   -0.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8542   -0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  2  0  0  0  0
  7  9  1  0  0  0  0
  8  6  1  0  0  0  0
  9 15  1  0  0  0  0
 10  2  2  0  0  0  0
 11  8  1  0  0  0  0
 12 26  1  0  0  0  0
 13 12  1  0  0  0  0
 14  4  2  0  0  0  0
 15 17  2  0  0  0  0
 16 11  1  0  0  0  0
 17 13  1  0  0  0  0
 18  8  2  0  0  0  0
 19 18  1  0  0  0  0
 20 12  2  0  0  0  0
 21  1  1  0  0  0  0
 22  7  1  0  0  0  0
 23  7  1  0  0  0  0
 24  7  1  0  0  0  0
 25 21  1  0  0  0  0
 26 25  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 17  1  0  0  0  0
  3  5  1  0  0  0  0
 19 16  2  0  0  0  0
 27  9  2  0  0  0  0
M  END
>  <Mol_ID> (4,730)
4730

>  <Formula> (4,730)
C19H15F3N2O2S3

>  <MolWeight> (4,730)
456.5248096

>  <COMPOUND_NAME> (4,730)
WAY-270781

>  <BAR_CODE_NO> (4,730)
396661

$$$$
WAY-270784
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
    4.0292   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7000   -0.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2917    0.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7000   -1.6167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3667   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4167   -2.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1167    0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2292   -0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4167   -2.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1292   -1.6167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0417   -1.3250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7000   -3.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1292   -3.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6292    0.0333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4167   -4.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7000   -4.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1292   -4.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1750   -0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6667    1.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4250   -5.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7167   -5.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7167   -6.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0042   -6.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7292    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4667    0.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0042   -7.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  3  1  0  0  0  0
  8  1  1  0  0  0  0
  9  6  1  0  0  0  0
 10  6  2  0  0  0  0
 11  8  2  0  0  0  0
 12  9  2  0  0  0  0
 13  9  1  0  0  0  0
 14  8  1  0  0  0  0
 15 17  1  0  0  0  0
 16 12  1  0  0  0  0
 17 13  2  0  0  0  0
 18  5  1  0  0  0  0
 19  7  1  0  0  0  0
 20 15  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 18  2  0  0  0  0
 25 19  2  0  0  0  0
 26 23  1  0  0  0  0
  5  7  2  0  0  0  0
 24 25  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <Mol_ID> (4,731)
4731

>  <Formula> (4,731)
C20H20N2O4

>  <MolWeight> (4,731)
352.3838

>  <COMPOUND_NAME> (4,731)
WAY-270784

>  <BAR_CODE_NO> (4,731)
396664

$$$$
WAY-270790
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
    3.5997    0.0302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3480    0.7923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0100   -0.5629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4583    0.0130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5204    0.9509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0376    1.2302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1721   -0.3767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6997    0.7751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9583    0.3751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5618   -0.9491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7480   -0.7491    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5376    0.0130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1687   -1.3008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3003    0.2130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6417   -1.1249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8900   -0.3629    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7520   -0.1836    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6003    0.0130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5762    0.6233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9417   -0.9491    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1693   -0.5870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8762    0.7751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9934   -0.4491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7037    0.9233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2762    0.3302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1003    0.5371    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 17 20  2  0  0  0  0
 18 21  2  0  0  0  0
 18 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  2  0  0  0  0
 25 26  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
 15 16  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (4,732)
4732

>  <Formula> (4,732)
C18H19ClN2O4S

>  <MolWeight> (4,732)
394.87246

>  <COMPOUND_NAME> (4,732)
WAY-270790

>  <BAR_CODE_NO> (4,732)
396669

$$$$
WAY-270812
csChFnd80/06171916322D

 23 24  0  0  0  0  0  0  0  0999 V2000
    3.4042   -3.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0500   -3.5542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.4042   -4.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7042   -3.9375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7042   -4.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0500   -5.0667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7542   -3.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0542   -2.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7042   -2.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7042   -1.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0500   -1.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4042   -2.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7500   -2.8167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3542   -5.0667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4000   -1.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1042   -3.9417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7542   -5.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3500   -1.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0500   -0.5625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542   -3.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3417   -0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4000   -0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8125   -3.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  6  1  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 15  1  0  0  0  0
 12  8  1  0  0  0  0
 13  7  2  0  0  0  0
 14  5  1  0  0  0  0
 15 12  2  0  0  0  0
 16  7  1  0  0  0  0
 17  3  1  0  0  0  0
 18 10  1  0  0  0  0
 19 11  1  0  0  0  0
 20 16  1  0  0  0  0
 21 18  1  0  0  0  0
 22 19  1  0  0  0  0
 23 20  1  0  0  0  0
  5  4  2  0  0  0  0
 11 10  2  0  0  0  0
M  END
>  <Mol_ID> (4,733)
4733

>  <Formula> (4,733)
C16H20N2O4S

>  <MolWeight> (4,733)
336.406

>  <COMPOUND_NAME> (4,733)
WAY-270812

>  <BAR_CODE_NO> (4,733)
396692

$$$$
WAY-270822
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    0.8167    0.2833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7417    1.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0500    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1917   -0.9167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2500    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5125    1.4333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4542   -1.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0792   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8750    0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8917   -0.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542    1.5458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9042   -0.6917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9292   -1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2792   -2.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6625    0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6500   -0.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9292   -2.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792   -1.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6500   -2.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3625   -1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3625   -2.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7  2  1  0  0  0  0
  8 11  2  0  0  0  0
  9  6  2  0  0  0  0
 10  3  2  0  0  0  0
 11  6  1  0  0  0  0
 12  2  2  0  0  0  0
 13  4  2  0  0  0  0
 14  5  1  0  0  0  0
 15  1  1  0  0  0  0
 16  8  1  0  0  0  0
 17  9  1  0  0  0  0
 18 14  1  0  0  0  0
 19 14  2  0  0  0  0
 20 15  1  0  0  0  0
 21 19  1  0  0  0  0
 22 18  2  0  0  0  0
 23 21  2  0  0  0  0
  7  3  1  0  0  0  0
  8  5  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (4,734)
4734

>  <Formula> (4,734)
C18H18N2OS2

>  <MolWeight> (4,734)
342.47832

>  <COMPOUND_NAME> (4,734)
WAY-270822

>  <BAR_CODE_NO> (4,734)
396703

$$$$
WAY-270824-A
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -1.9041   -0.0515    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9041    0.8278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0904   -0.3239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6628   -0.4860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0904    1.0933    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6628    1.2761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5904    0.3933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4248   -0.0515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4248    0.8278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3096    0.3933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2041   -0.5067    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7579   -0.3722    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6372   -0.3722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0752   -1.1515    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0752    0.3933    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9579   -1.1515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9579    0.3933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3959   -0.3722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3959   -1.9067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3959    1.1485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  6  9  2  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
  5  7  1  0  0  0  0
  8  9  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (4,735)
4735

>  <Formula> (4,735)
C14H13ClN4S

>  <MolWeight> (4,735)
304.79782

>  <COMPOUND_NAME> (4,735)
WAY-270824

>  <BAR_CODE_NO> (4,735)
396705

$$$$
WAY-270832
csChFnd80/06171916322D

 28 30  0  0  0  0  0  0  0  0999 V2000
   10.6167  -11.3542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6167  -12.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2792  -10.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9417  -11.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2792  -13.6792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9417  -12.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9750  -13.6875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.3125   -3.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3125   -2.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2792   -9.0417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3125   -6.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6417   -5.9292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.6417   -4.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6417   -1.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9750   -5.9292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9750  -10.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -2.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -3.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6125  -10.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9750   -1.2875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6417    0.2583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6125  -13.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9750   -9.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3125   -8.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9750    0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9792    1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2667  -11.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2667  -12.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  2  2  0  0  0  0
  8 13  1  0  0  0  0
  9  8  2  0  0  0  0
 10  3  2  0  0  0  0
 11 24  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 17  2  0  0  0  0
 15 11  2  0  0  0  0
 16  1  1  0  0  0  0
 17 18  1  0  0  0  0
 18 13  2  0  0  0  0
 19  4  2  0  0  0  0
 20  9  1  0  0  0  0
 21 14  1  0  0  0  0
 22  6  2  0  0  0  0
 23 16  1  0  0  0  0
 24 23  1  0  0  0  0
 25 20  1  0  0  0  0
 26 21  1  0  0  0  0
 27 19  1  0  0  0  0
 28 27  2  0  0  0  0
  5  6  1  0  0  0  0
 28 22  1  0  0  0  0
 14  9  1  0  0  0  0
M  END
>  <Mol_ID> (4,736)
4736

>  <Formula> (4,736)
C20H21N3O4S

>  <MolWeight> (4,736)
399.46344

>  <COMPOUND_NAME> (4,736)
WAY-270832

>  <BAR_CODE_NO> (4,736)
396713

$$$$
WAY-271224
csChFnd80/06171916322D

 32 34  0  0  0  0  0  0  0  0999 V2000
   -6.0000    2.5958    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7292    2.1833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0583    6.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    4.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    3.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458    4.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0458    5.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2708    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458    5.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4042    3.3083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6000    1.8708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708    3.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333    3.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4417    2.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    5.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333    5.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2708    3.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    2.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5708    4.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708    2.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333    4.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    6.5792    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208    7.0667    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208    6.7292    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208    2.9125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -8.1417    2.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7167    1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1542    1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8542    2.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8667    0.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5792    2.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5792    1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  7  1  0  0  0  0
  4 12  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  9  2  0  0  0  0
  8  1  1  0  0  0  0
  9  6  1  0  0  0  0
 10  1  2  0  0  0  0
 11  1  2  0  0  0  0
 12 20  2  0  0  0  0
 13  6  2  0  0  0  0
 14  2  1  0  0  0  0
 15  4  2  0  0  0  0
 16 21  2  0  0  0  0
 17  8  1  0  0  0  0
 18  8  2  0  0  0  0
 19 17  2  0  0  0  0
 20 18  1  0  0  0  0
 21 13  1  0  0  0  0
 22  3  1  0  0  0  0
 23  3  1  0  0  0  0
 24  3  1  0  0  0  0
 25 13  1  0  0  0  0
 26 14  1  0  0  0  0
 27  2  1  0  0  0  0
 28 26  1  0  0  0  0
 29 26  2  0  0  0  0
 30 28  2  0  0  0  0
 31 29  1  0  0  0  0
 32 31  2  0  0  0  0
 12 19  1  0  0  0  0
 32 30  1  0  0  0  0
 16  7  1  0  0  0  0
M  END
>  <Mol_ID> (4,737)
4737

>  <Formula> (4,737)
C22H18ClF3N2O3S

>  <MolWeight> (4,737)
482.9031296

>  <COMPOUND_NAME> (4,737)
WAY-271224

>  <BAR_CODE_NO> (4,737)
397107

$$$$
WAY-271278
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
    6.2917    2.4333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9417    2.7083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9917    3.6458    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8000    4.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0625    4.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9000    1.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3917    3.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5875    4.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0917    4.9792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3250    2.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0625    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4917    4.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6292    3.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3750    4.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5875    6.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1625    4.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3750    6.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1625    6.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2542    0.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  1  0  0  0  0
  9  7  1  0  0  0  0
 10  7  2  0  0  0  0
 11  6  2  0  0  0  0
 12  9  1  0  0  0  0
 13 10  1  0  0  0  0
 14  8  2  0  0  0  0
 15  8  1  0  0  0  0
 16 14  1  0  0  0  0
 17 15  2  0  0  0  0
 18 17  1  0  0  0  0
 19  6  1  0  0  0  0
 20 18  1  0  0  0  0
  4  5  1  0  0  0  0
 13 12  2  0  0  0  0
 18 16  2  0  0  0  0
M  END
>  <Mol_ID> (4,738)
4738

>  <Formula> (4,738)
C16H16N2O2

>  <MolWeight> (4,738)
268.31044

>  <COMPOUND_NAME> (4,738)
WAY-271278

>  <BAR_CODE_NO> (4,738)
397162

$$$$
WAY-271280
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    1.0970    0.3621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8832    0.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3832   -0.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8211    1.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5556    0.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0349   -0.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2789    0.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3832   -1.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0030    1.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3832    1.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3590    0.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8556   -1.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0582    0.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5176   -0.5759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7927    0.5483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1893   -0.8276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3349   -0.9345    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5893    0.1862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2651    0.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6824   -0.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0789    0.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4893   -1.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1824   -0.5276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
  7  9  1  0  0  0  0
 12 14  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (4,739)
4739

>  <Formula> (4,739)
C18H21FN2O2

>  <MolWeight> (4,739)
316.3699432

>  <COMPOUND_NAME> (4,739)
WAY-271280

>  <BAR_CODE_NO> (4,739)
397164

$$$$
WAY-271303
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -0.9373    0.4145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9373   -0.3683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6201    0.8145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1753    0.6524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6201   -0.7683    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1753   -0.6165    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2960    0.4145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2765    0.0145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0627    1.4041    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2960   -0.3683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9753    0.8145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0558    0.0145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9753   -0.7683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6580    0.4145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9753    1.6041    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4558   -0.6683    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4558    0.6835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6580   -0.3683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2316   -0.6683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6316    0.0145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6316   -1.3476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4247    0.0145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4247   -1.3476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8247   -0.6683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8247    0.6835    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12 16  1  0  0  0  0
 12 17  2  0  0  0  0
 13 18  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
  6  8  1  0  0  0  0
  7 10  1  0  0  0  0
 14 18  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (4,740)
4740

>  <Formula> (4,740)
C18H14ClN3O2S

>  <MolWeight> (4,740)
371.84066

>  <COMPOUND_NAME> (4,740)
WAY-271303

>  <BAR_CODE_NO> (4,740)
397187

$$$$
WAY-271304
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -0.8963    0.5063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8963   -0.2661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5583    0.8856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1790    0.7339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5583   -0.6316    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1790   -0.4696    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2169    0.5063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2555    0.1304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0589    1.4684    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2169   -0.2661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8583    0.8856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0106    0.1304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8583   -0.6316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5169    0.5063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8583    1.6546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4037   -0.5316    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4037    0.7856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5169   -0.2661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1555   -0.5316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5348   -1.1937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5348    0.1063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3037   -1.1937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3037    0.1063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6727   -0.5316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6727   -1.8937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12 16  1  0  0  0  0
 12 17  2  0  0  0  0
 13 18  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
 22 25  1  0  0  0  0
  6  8  1  0  0  0  0
  7 10  1  0  0  0  0
 14 18  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (4,741)
4741

>  <Formula> (4,741)
C19H17N3O2S

>  <MolWeight> (4,741)
351.42218

>  <COMPOUND_NAME> (4,741)
WAY-271304

>  <BAR_CODE_NO> (4,741)
397188

$$$$
WAY-271362
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    0.3542    1.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542   -0.1167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6000    0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458    1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7375    1.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9167    1.1625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5167    1.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3375    2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7000   -0.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6458   -1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7375   -1.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4375    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542   -2.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7375   -2.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6208   -2.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542   -3.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7000    1.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5167    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0792    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9000   -0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7375   -3.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  9  1  0  0  0  0
  9  6  1  0  0  0  0
 10  6  2  0  0  0  0
 11 23  1  0  0  0  0
 12  7  2  0  0  0  0
 13  7  1  0  0  0  0
 14  2  1  0  0  0  0
 15  4  1  0  0  0  0
 16 17  1  0  0  0  0
 17 13  2  0  0  0  0
 18 12  1  0  0  0  0
 19 16  1  0  0  0  0
 20  8  1  0  0  0  0
 21  8  1  0  0  0  0
 22 20  1  0  0  0  0
 23 21  1  0  0  0  0
 24 19  1  0  0  0  0
  4  3  1  0  0  0  0
 11 22  1  0  0  0  0
 16 18  2  0  0  0  0
M  END
>  <Mol_ID> (4,742)
4742

>  <Formula> (4,742)
C19H24N2O3

>  <MolWeight> (4,742)
328.40546

>  <COMPOUND_NAME> (4,742)
WAY-271362

>  <BAR_CODE_NO> (4,742)
397246

$$$$
WAY-270846
csChFnd80/06171916322D

 17 19  0  0  0  0  0  0  0  0999 V2000
    3.8875    6.1042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8875    8.3792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6417    7.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4625    6.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4625    7.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5500    4.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8875    3.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4625    1.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4625    3.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5500    2.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8875    1.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7042    2.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2292    5.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2292    8.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7042    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8 11  1  0  0  0  0
  9  7  2  0  0  0  0
 10  7  1  0  0  0  0
 11 10  2  0  0  0  0
 12  9  1  0  0  0  0
 13  4  1  0  0  0  0
 14  5  1  0  0  0  0
 15  8  1  0  0  0  0
 16 13  2  0  0  0  0
 17 16  1  0  0  0  0
  5  2  1  0  0  0  0
  8 12  2  0  0  0  0
 17 14  2  0  0  0  0
M  END
>  <Mol_ID> (4,743)
4743

>  <Formula> (4,743)
C15H14N2

>  <MolWeight> (4,743)
222.28506

>  <COMPOUND_NAME> (4,743)
WAY-270846

>  <BAR_CODE_NO> (4,743)
396727

$$$$
WAY-270863
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
    0.0125  -20.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6125  -21.2750    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.0250  -20.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167  -21.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0917  -22.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167  -22.1042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6208  -22.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3250  -20.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6667  -19.6292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0875  -23.3417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583  -19.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0458  -21.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167  -19.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7458  -20.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5167  -20.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9250  -18.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4708  -21.2417    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.3917  -18.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917  -19.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1500  -17.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9417  -19.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708  -20.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750  -17.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0208  -19.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7458  -20.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6542  -16.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  6  1  0  0  0  0
  6  4  1  0  0  0  0
  7  2  1  0  0  0  0
  8  2  1  0  0  0  0
  9  3  1  0  0  0  0
 10  5  2  0  0  0  0
 11  3  2  0  0  0  0
 12  8  1  0  0  0  0
 13  9  1  0  0  0  0
 14 12  2  0  0  0  0
 15  4  1  0  0  0  0
 16 21  2  0  0  0  0
 17 14  1  0  0  0  0
 18 13  1  0  0  0  0
 19 13  2  0  0  0  0
 20 18  2  0  0  0  0
 21 19  1  0  0  0  0
 22  8  2  0  0  0  0
 23 16  1  0  0  0  0
 24 22  1  0  0  0  0
 25 24  2  0  0  0  0
 26 23  1  0  0  0  0
  7  5  1  0  0  0  0
 20 16  1  0  0  0  0
 14 25  1  0  0  0  0
M  END
>  <Mol_ID> (4,744)
4744

>  <Formula> (4,744)
C19H18ClN3O2S

>  <MolWeight> (4,744)
387.88312

>  <COMPOUND_NAME> (4,744)
WAY-270863

>  <BAR_CODE_NO> (4,744)
396744

$$$$
WAY-270880
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
   10.7917   -6.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7542   -5.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6000   -6.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1667   -6.7292    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.8667   -7.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5917   -7.5625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1542   -7.5542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4417   -5.0875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4542   -6.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8667   -8.8042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.0167   -5.1542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7375   -6.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4625   -5.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1917   -4.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2917   -6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7042   -3.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0375   -5.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7542   -5.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0250   -6.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4542   -3.2542    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.1750   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9750   -5.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292   -3.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7167   -4.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3292   -5.0500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3375   -4.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  7  1  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8  2  1  0  0  0  0
  9  4  1  0  0  0  0
 10  5  2  0  0  0  0
 11  2  2  0  0  0  0
 12  9  1  0  0  0  0
 13  9  2  0  0  0  0
 14  8  1  0  0  0  0
 15  3  1  0  0  0  0
 16 24  2  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 19 12  2  0  0  0  0
 20 16  1  0  0  0  0
 21 14  1  0  0  0  0
 22 14  2  0  0  0  0
 23 21  2  0  0  0  0
 24 22  1  0  0  0  0
 25 17  1  0  0  0  0
 26 25  1  0  0  0  0
  5  6  1  0  0  0  0
 19 17  1  0  0  0  0
 23 16  1  0  0  0  0
M  END
>  <Mol_ID> (4,745)
4745

>  <Formula> (4,745)
C19H18ClN3O2S

>  <MolWeight> (4,745)
387.88312

>  <COMPOUND_NAME> (4,745)
WAY-270880

>  <BAR_CODE_NO> (4,745)
396761

$$$$
WAY-270882
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   11.3792   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7542   -0.4417    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.3417    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1917   -0.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4625   -1.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1875   -1.2750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7500   -1.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0417   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0375    1.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2875   -0.3667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.6125    1.1333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4542   -2.5167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9542    0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7375    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1417    0.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7875    1.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8875   -0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2917    2.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0417    3.0333    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   13.5667    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7667    2.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3125    1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5167    2.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  6  1  0  0  0  0
  6  4  1  0  0  0  0
  7  2  1  0  0  0  0
  8  2  1  0  0  0  0
  9  3  1  0  0  0  0
 10  8  1  0  0  0  0
 11  3  2  0  0  0  0
 12  5  2  0  0  0  0
 13  8  2  0  0  0  0
 14 10  1  0  0  0  0
 15 13  1  0  0  0  0
 16  9  1  0  0  0  0
 17  4  1  0  0  0  0
 18 23  1  0  0  0  0
 19 18  1  0  0  0  0
 20 16  2  0  0  0  0
 21 16  1  0  0  0  0
 22 20  1  0  0  0  0
 23 21  2  0  0  0  0
  7  5  1  0  0  0  0
 15 14  2  0  0  0  0
 22 18  2  0  0  0  0
M  END
>  <Mol_ID> (4,746)
4746

>  <Formula> (4,746)
C16H14ClN3O2S

>  <MolWeight> (4,746)
347.81926

>  <COMPOUND_NAME> (4,746)
WAY-270882

>  <BAR_CODE_NO> (4,746)
396763

$$$$
WAY-270896
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
    8.5707    6.6639    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8465    6.2468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5707    7.4890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4301    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7242    5.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4301    6.2376    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1452    5.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.8603    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2767    7.9015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1315    6.6502    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2767    6.2514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8557    7.9015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.2376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7242    6.6502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9918    6.6639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9918    7.4890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2767    8.7266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8557    8.7266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5707    9.1392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  7  1  0  0  0  0
  5  4  1  0  0  0  0
  6  4  2  0  0  0  0
  7  8  1  0  0  0  0
  8  2  1  0  0  0  0
  9  3  2  0  0  0  0
 10  2  2  0  0  0  0
 11  1  1  0  0  0  0
 12  3  1  0  0  0  0
 13 14  2  0  0  0  0
 14  6  1  0  0  0  0
 15  5  2  0  0  0  0
 16 11  1  0  0  0  0
 17 16  1  0  0  0  0
 18  9  1  0  0  0  0
 19 12  2  0  0  0  0
 20 19  1  0  0  0  0
  9 17  1  0  0  0  0
 20 18  2  0  0  0  0
 15 13  1  0  0  0  0
M  END
>  <Mol_ID> (4,747)
4747

>  <Formula> (4,747)
C15H15N3OS

>  <MolWeight> (4,747)
285.3641

>  <COMPOUND_NAME> (4,747)
WAY-270896

>  <BAR_CODE_NO> (4,747)
396779

$$$$
WAY-270918
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    0.0139    1.4242    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0139    0.0967    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1551    2.0656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1449    2.0760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0139   -1.2240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3447    0.0967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3346    0.1242    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2861    1.4173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3035    1.4242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1171   -1.8827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1725   -1.8551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3654    0.0863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4758    2.0656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4346    2.1173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3035    0.0967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1171   -3.2033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1725   -3.2033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5068   -0.5551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6378    1.4449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6035    1.4553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4725   -0.4930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0553   -3.8344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6378    0.1242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6035    0.1346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  1  0  0  0  0
  9 15  2  0  0  0  0
 10 16  1  0  0  0  0
 11 17  2  0  0  0  0
 12 18  2  0  0  0  0
 13 19  1  0  0  0  0
 14 20  2  0  0  0  0
 15 21  1  0  0  0  0
 16 22  2  0  0  0  0
 18 23  1  0  0  0  0
 20 24  1  0  0  0  0
 17 22  1  0  0  0  0
 19 23  2  0  0  0  0
 21 24  2  0  0  0  0
M  END
>  <Mol_ID> (4,748)
4748

>  <Formula> (4,748)
C20H19NO2S

>  <MolWeight> (4,748)
337.43536

>  <COMPOUND_NAME> (4,748)
WAY-270918

>  <BAR_CODE_NO> (4,748)
396801

$$$$
WAY-270922
csChFnd80/06171916322D

 28 30  0  0  0  0  0  0  0  0999 V2000
   -1.1500   -0.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0708   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8333    0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708   -0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6958   -0.9667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8500   -0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333    0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292    0.6708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667    0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4500   -0.9875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2875   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1125    0.7958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1500   -0.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9292   -0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1958   -1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708   -1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8500   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2208   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1958   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6875    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3292    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667   -0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417    0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667   -1.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2208   -2.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8500   -3.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  2  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11  2  2  0  0  0  0
 12 10  1  0  0  0  0
 13  3  2  0  0  0  0
 14  8  2  0  0  0  0
 15 12  2  0  0  0  0
 16  6  1  0  0  0  0
 17 21  1  0  0  0  0
 18 16  2  0  0  0  0
 19 16  1  0  0  0  0
 20 18  1  0  0  0  0
 21 19  2  0  0  0  0
 22 10  2  0  0  0  0
 23 22  1  0  0  0  0
 24 12  1  0  0  0  0
 25 23  2  0  0  0  0
 26 15  1  0  0  0  0
 27 17  1  0  0  0  0
 28 27  1  0  0  0  0
  4  5  1  0  0  0  0
 17 20  2  0  0  0  0
 15 25  1  0  0  0  0
M  END
>  <Mol_ID> (4,749)
4749

>  <Formula> (4,749)
C22H22N2O2S2

>  <MolWeight> (4,749)
410.55228

>  <COMPOUND_NAME> (4,749)
WAY-270922

>  <BAR_CODE_NO> (4,749)
396805

$$$$
WAY-270924
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -2.3958   -0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1500    0.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8708   -0.9667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958    0.5333    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.1708   -0.4042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1125   -0.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1500    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7958    0.8125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4125    0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1500    2.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333    2.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6708    1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958    1.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6125   -1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667   -1.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8500   -2.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333    3.5208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292   -2.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9500    3.1708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6500    2.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6667   -1.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333   -2.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9500   -3.1292    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.3500    3.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7125    3.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8875    3.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  7  2  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  2  0  0  0  0
  7  4  1  0  0  0  0
  8  5  1  0  0  0  0
  9  2  1  0  0  0  0
 10 12  2  0  0  0  0
 11  6  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  2  0  0  0  0
 14  8  1  0  0  0  0
 15  8  2  0  0  0  0
 16  7  1  0  0  0  0
 17 16  1  0  0  0  0
 18 16  2  0  0  0  0
 19 10  1  0  0  0  0
 20 24  2  0  0  0  0
 21 13  1  0  0  0  0
 22 12  1  0  0  0  0
 23 17  2  0  0  0  0
 24 18  1  0  0  0  0
 25 20  1  0  0  0  0
 26 19  1  0  0  0  0
 27 21  1  0  0  0  0
 28 22  1  0  0  0  0
  9 11  2  0  0  0  0
  3  5  1  0  0  0  0
 23 20  1  0  0  0  0
 13 10  1  0  0  0  0
M  END
>  <Mol_ID> (4,750)
4750

>  <Formula> (4,750)
C20H19ClN4O3

>  <MolWeight> (4,750)
398.84286

>  <COMPOUND_NAME> (4,750)
WAY-270924

>  <BAR_CODE_NO> (4,750)
396807

$$$$
WAY-270926
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
    5.3042   -2.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0500   -3.0875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5542   -3.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8000   -2.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8167   -2.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0500   -3.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3042   -1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4500   -4.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0875   -3.0875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7875   -1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1167   -5.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8167   -1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5542   -1.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5542   -3.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2000   -1.2042    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.5292   -3.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3375   -2.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5167   -5.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1667   -4.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5292   -1.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0875   -1.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2792   -2.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3375   -1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2375   -5.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5667   -5.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2667   -1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  6  1  0  0  0  0
  9  5  1  0  0  0  0
 10  4  1  0  0  0  0
 11  8  2  0  0  0  0
 12 13  1  0  0  0  0
 13  7  2  0  0  0  0
 14  3  1  0  0  0  0
 15 10  1  0  0  0  0
 16  4  2  0  0  0  0
 17  9  2  0  0  0  0
 18 11  1  0  0  0  0
 19  8  1  0  0  0  0
 20 10  2  0  0  0  0
 21 12  1  0  0  0  0
 22 16  1  0  0  0  0
 23 21  2  0  0  0  0
 24 25  1  0  0  0  0
 25 19  2  0  0  0  0
 26 22  2  0  0  0  0
 12  5  2  0  0  0  0
 17 23  1  0  0  0  0
 26 20  1  0  0  0  0
 18 24  2  0  0  0  0
M  END
>  <Mol_ID> (4,751)
4751

>  <Formula> (4,751)
C21H16FN3O

>  <MolWeight> (4,751)
345.3696432

>  <COMPOUND_NAME> (4,751)
WAY-270926

>  <BAR_CODE_NO> (4,751)
396809

$$$$
WAY-270947
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
    3.6167   -4.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6250   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0417   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3292   -3.7042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.8417   -5.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0417   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3292   -5.3542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7625   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8292   -3.8667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3500   -4.5417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4750   -4.1292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3375   -2.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7667   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9000   -2.4792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0542   -2.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6250   -2.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1917   -3.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3417   -1.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7625   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6250   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0542   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3417   -0.4042    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    7.1875   -2.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6167   -2.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9000   -4.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6167   -3.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  2  0  0  0  0
  6  3  2  0  0  0  0
  7  2  1  0  0  0  0
  8  3  1  0  0  0  0
  9  1  1  0  0  0  0
 10  9  2  0  0  0  0
 11  8  1  0  0  0  0
 12  4  1  0  0  0  0
 13  8  2  0  0  0  0
 14 23  2  0  0  0  0
 15 12  2  0  0  0  0
 16 12  1  0  0  0  0
 17 11  1  0  0  0  0
 18 20  1  0  0  0  0
 19  6  1  0  0  0  0
 20 16  2  0  0  0  0
 21 15  1  0  0  0  0
 22 18  1  0  0  0  0
 23 17  1  0  0  0  0
 24 26  2  0  0  0  0
 25 17  2  0  0  0  0
 26 25  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
 18 21  2  0  0  0  0
 24 14  1  0  0  0  0
M  END
>  <Mol_ID> (4,752)
4752

>  <Formula> (4,752)
C17H14BrN7O

>  <MolWeight> (4,752)
412.24336

>  <COMPOUND_NAME> (4,752)
WAY-270947

>  <BAR_CODE_NO> (4,752)
396830

$$$$
WAY-270966
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   10.9042  -22.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9125  -22.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2542  -23.3625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.5542  -21.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6125  -22.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5542  -23.3542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6125  -22.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2042  -22.2292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5542  -21.1042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.1917  -19.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2042  -22.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8417  -19.6042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5500  -19.6125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2000  -20.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8417  -18.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8417  -17.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8417  -16.6167    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   12.1917  -18.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4875  -18.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1917  -17.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4875  -17.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9625  -23.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3125  -22.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  5  2  0  0  0  0
  8  4  2  0  0  0  0
  9  4  1  0  0  0  0
 10 14  1  0  0  0  0
 11  8  1  0  0  0  0
 12 10  1  0  0  0  0
 13 10  2  0  0  0  0
 14  9  1  0  0  0  0
 15 12  1  0  0  0  0
 16 21  2  0  0  0  0
 17 16  1  0  0  0  0
 18 15  1  0  0  0  0
 19 15  2  0  0  0  0
 20 18  2  0  0  0  0
 21 19  1  0  0  0  0
 22  7  1  0  0  0  0
 23 22  1  0  0  0  0
  3  7  1  0  0  0  0
 11  6  2  0  0  0  0
 16 20  1  0  0  0  0
M  END
>  <Mol_ID> (4,753)
4753

>  <Formula> (4,753)
C16H14BrN3OS2

>  <MolWeight> (4,753)
408.33586

>  <COMPOUND_NAME> (4,753)
WAY-270966

>  <BAR_CODE_NO> (4,753)
396849

$$$$
WAY-270968
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   11.6417   -9.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6375   -8.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9875   -9.4417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.3417   -8.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3417   -9.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2792   -7.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2875   -9.4417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292   -8.3167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2792   -7.1917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.9375   -9.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9250   -6.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5750   -5.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292   -6.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2792   -5.6917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2167   -6.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5667   -4.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8667   -4.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7542   -7.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2167   -4.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8667   -5.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5167   -4.5750    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.6917   -9.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8 10  1  0  0  0  0
  9  6  1  0  0  0  0
 10  7  2  0  0  0  0
 11 13  1  0  0  0  0
 12 11  1  0  0  0  0
 13  9  1  0  0  0  0
 14 11  2  0  0  0  0
 15 12  2  0  0  0  0
 16 12  1  0  0  0  0
 17 19  1  0  0  0  0
 18  4  1  0  0  0  0
 19 16  2  0  0  0  0
 20 15  1  0  0  0  0
 21 17  1  0  0  0  0
 22  5  1  0  0  0  0
  5  4  2  0  0  0  0
  6  8  2  0  0  0  0
 17 20  2  0  0  0  0
M  END
>  <Mol_ID> (4,754)
4754

>  <Formula> (4,754)
C16H13FN2OS2

>  <MolWeight> (4,754)
332.4156232

>  <COMPOUND_NAME> (4,754)
WAY-270968

>  <BAR_CODE_NO> (4,754)
396851

$$$$
WAY-271002
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -1.4224    0.0488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3293    0.0488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1431   -0.7892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7983    0.7419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6086   -0.8202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0914    0.5902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8742   -1.3512    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2362   -0.9823    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0879    0.5488    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0569    1.6246    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5224   -0.8202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8293    0.0488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3638   -0.3133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2914   -0.4892    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.8741    0.2040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7672    0.0419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3603    0.7177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0603   -0.8133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2465    0.5488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8603    1.2143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  8 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
  5  7  1  0  0  0  0
  9 13  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (4,755)
4755

>  <Formula> (4,755)
C13H15N3O2S2

>  <MolWeight> (4,755)
309.4071

>  <COMPOUND_NAME> (4,755)
WAY-271002

>  <BAR_CODE_NO> (4,755)
396885

$$$$
WAY-271030
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
    2.3792   -1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3792   -1.9292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5667   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1375   -1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3625    0.1458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3833   -0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3625   -2.0667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4375   -2.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3833   -1.5167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.7375    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000   -1.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458   -2.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3333   -0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3333   -1.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458    0.1125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542    0.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000   -0.4167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9875    1.4833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0042    0.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2375   -1.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3000    0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3000   -2.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1792    2.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292    1.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2708   -1.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2708   -0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  7  1  0  0  0  0
  7 10  1  0  0  0  0
  8 10  1  0  0  0  0
  9  1  1  0  0  0  0
 10 13  1  0  0  0  0
 11  2  1  0  0  0  0
 12  9  1  0  0  0  0
 13 12  1  0  0  0  0
 14 15  2  0  0  0  0
 15  8  1  0  0  0  0
 16  7  2  0  0  0  0
 17 11  2  0  0  0  0
 18 12  2  0  0  0  0
 19 11  1  0  0  0  0
 20  4  1  0  0  0  0
 21  5  1  0  0  0  0
 22 14  1  0  0  0  0
 23 15  1  0  0  0  0
 24 19  1  0  0  0  0
 25 24  1  0  0  0  0
 26 23  2  0  0  0  0
 27 26  1  0  0  0  0
  5  4  2  0  0  0  0
  6 14  1  0  0  0  0
 22 27  2  0  0  0  0
M  END
>  <Mol_ID> (4,756)
4756

>  <Formula> (4,756)
C19H21N3O4S

>  <MolWeight> (4,756)
387.45274

>  <COMPOUND_NAME> (4,756)
WAY-271030

>  <BAR_CODE_NO> (4,756)
396913

$$$$
WAY-271039
csChFnd80/06171916322D

 34 37  0  0  0  0  0  0  0  0999 V2000
   -0.9272    1.2169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9272    0.0790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9306    1.7894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0625    1.7894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0625   -0.4900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9306   -0.4900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9237    1.2169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9306    2.9583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0590    1.2169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0590    0.0790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0625   -1.6486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9237    0.0790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9444    1.7480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1479    3.4928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0901    1.7480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9487   -0.6279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9720    1.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9893    3.1135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1479    4.6411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1073    2.3238    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.6556    0.7238    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.5556    2.7825    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0176   -1.7624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0142   -0.2003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7996    1.8549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9720    0.1031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1073   -2.0900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7211   -1.0900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9728   -3.1796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9659   -3.7520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9797   -3.7796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9935   -4.8900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0176   -4.9279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0142   -5.4865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 14 19  2  0  0  0  0
 15 20  1  0  0  0  0
 15 21  1  0  0  0  0
 15 22  1  0  0  0  0
 16 23  2  0  0  0  0
 16 24  1  0  0  0  0
 17 25  1  0  0  0  0
 17 26  2  0  0  0  0
 23 27  1  0  0  0  0
 24 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
 30 32  2  0  0  0  0
 31 33  1  0  0  0  0
 32 34  1  0  0  0  0
  7 12  1  0  0  0  0
  9 10  2  0  0  0  0
 27 28  1  0  0  0  0
 33 34  2  0  0  0  0
M  END
>  <Mol_ID> (4,757)
4757

>  <Formula> (4,757)
C23H15F3N2O6

>  <MolWeight> (4,757)
472.3702096

>  <COMPOUND_NAME> (4,757)
WAY-271039

>  <BAR_CODE_NO> (4,757)
396922

$$$$
WAY-271045
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    5.1167   -0.0792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8625   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4500    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7792   -0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0375   -0.8667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.9917    0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3417   -1.5375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4417    1.2250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792   -0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0042   -2.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3375   -3.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542   -1.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5542   -1.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875   -2.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4917   -2.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1625   -3.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8542   -3.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9500   -1.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9875   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -4.5417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417   -2.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  2  0  0  0  0
  7  2  1  0  0  0  0
  8  3  2  0  0  0  0
  9  6  1  0  0  0  0
 10  7  1  0  0  0  0
 11 17  1  0  0  0  0
 12 19  1  0  0  0  0
 13  9  2  0  0  0  0
 14  9  1  0  0  0  0
 15 10  2  0  0  0  0
 16 10  1  0  0  0  0
 17 16  2  0  0  0  0
 18 15  1  0  0  0  0
 19 14  2  0  0  0  0
 20 13  1  0  0  0  0
 21 11  1  0  0  0  0
 22 12  1  0  0  0  0
  4  5  1  0  0  0  0
 11 18  2  0  0  0  0
 12 20  2  0  0  0  0
M  END
>  <Mol_ID> (4,758)
4758

>  <Formula> (4,758)
C17H14N2O2S

>  <MolWeight> (4,758)
310.37026

>  <COMPOUND_NAME> (4,758)
WAY-271045

>  <BAR_CODE_NO> (4,758)
396928

$$$$
WAY-271049
csChFnd80/06171916322D

 18 19  0  0  0  0  0  0  0  0999 V2000
    7.4042   -5.4417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3292   -4.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6625   -4.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5792   -5.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5417   -4.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9917   -4.1750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.3667   -3.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5875   -3.3417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4500   -4.4042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0917   -6.1125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4167   -2.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9792   -3.0417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6292   -2.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4542   -1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6750   -1.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8542   -1.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0292   -1.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0750   -0.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  2  0  0  0  0
  6  3  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
  9  3  2  0  0  0  0
 10  4  2  0  0  0  0
 11  8  1  0  0  0  0
 12  7  2  0  0  0  0
 13 11  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 17  1  0  0  0  0
 17 11  2  0  0  0  0
 18 16  2  0  0  0  0
  2  6  1  0  0  0  0
 18 14  1  0  0  0  0
M  END
>  <Mol_ID> (4,759)
4759

>  <Formula> (4,759)
C11H8N2O4S

>  <MolWeight> (4,759)
264.25722

>  <COMPOUND_NAME> (4,759)
WAY-271049

>  <BAR_CODE_NO> (4,759)
396932

$$$$
WAY-271051
csChFnd80/06171916322D

 17 18  0  0  0  0  0  0  0  0999 V2000
    7.1792   -5.6042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4375   -4.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3542   -5.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1042   -4.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7667   -4.3292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.3167   -4.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8667   -6.2667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.1917   -2.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1417   -3.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2250   -4.5625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8042   -2.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3667   -3.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5917   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7625   -3.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4042   -2.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6292   -1.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2292   -1.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  2  0  0  0  0
  7  3  2  0  0  0  0
  8 12  2  0  0  0  0
  9  6  1  0  0  0  0
 10  2  2  0  0  0  0
 11 13  2  0  0  0  0
 12  9  1  0  0  0  0
 13 14  1  0  0  0  0
 14  9  2  0  0  0  0
 15  8  1  0  0  0  0
 16 11  1  0  0  0  0
 17 15  1  0  0  0  0
  5  4  1  0  0  0  0
  8 11  1  0  0  0  0
M  END
>  <Mol_ID> (4,760)
4760

>  <Formula> (4,760)
C11H9NO3S2

>  <MolWeight> (4,760)
267.32406

>  <COMPOUND_NAME> (4,760)
WAY-271051

>  <BAR_CODE_NO> (4,760)
396934

$$$$
WAY-271053
csChFnd80/06171916322D

 17 18  0  0  0  0  0  0  0  0999 V2000
    7.9292   -4.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5917   -4.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6750   -5.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2625   -3.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8125   -4.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8500   -5.1875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.1917   -4.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4125   -4.4417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1542   -5.8542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2542   -3.0917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3667   -5.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2417   -3.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8542   -3.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4542   -3.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2792   -2.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6792   -2.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9000   -2.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  2  0  0  0  0
  6  3  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
  9  3  2  0  0  0  0
 10  4  2  0  0  0  0
 11  7  2  0  0  0  0
 12  8  1  0  0  0  0
 13 12  2  0  0  0  0
 14 12  1  0  0  0  0
 15 14  2  0  0  0  0
 16 13  1  0  0  0  0
 17 15  1  0  0  0  0
  6  2  1  0  0  0  0
 17 16  2  0  0  0  0
M  END
>  <Mol_ID> (4,761)
4761

>  <Formula> (4,761)
C11H8N2O3S

>  <MolWeight> (4,761)
248.25782

>  <COMPOUND_NAME> (4,761)
WAY-271053

>  <BAR_CODE_NO> (4,761)
396936

$$$$
WAY-271087
csChFnd80/06171916322D

 32 35  0  0  0  0  0  0  0  0999 V2000
    9.6542    5.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5792    6.5292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1792    5.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3917    6.0625    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.1792    3.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8875    7.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9667    3.2708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5292    7.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9292    4.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9667    6.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7542    3.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7542    5.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5417    3.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4417    9.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5292    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3292    4.3792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8875    2.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7417    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3917    3.2708    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.5417    6.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6542   10.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8417    9.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    3.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6250    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6125   11.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3167    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    5.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4500   10.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2042   11.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1250   12.5917    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.1625    3.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  2  0  0  0  0
  7  5  2  0  0  0  0
  8  4  1  0  0  0  0
  9  1  1  0  0  0  0
 10  3  2  0  0  0  0
 11 12  1  0  0  0  0
 12 10  1  0  0  0  0
 13 11  2  0  0  0  0
 14  6  1  0  0  0  0
 15 24  1  0  0  0  0
 16  9  2  0  0  0  0
 17  9  1  0  0  0  0
 18 15  2  0  0  0  0
 19  5  1  0  0  0  0
 20 12  2  0  0  0  0
 21 14  1  0  0  0  0
 22 14  2  0  0  0  0
 23 27  2  0  0  0  0
 24 17  1  0  0  0  0
 25 28  2  0  0  0  0
 26 15  1  0  0  0  0
 27 20  1  0  0  0  0
 28 22  1  0  0  0  0
 29 21  2  0  0  0  0
 30 25  1  0  0  0  0
 31 23  1  0  0  0  0
 32 31  1  0  0  0  0
  8  6  1  0  0  0  0
  7 11  1  0  0  0  0
 25 29  1  0  0  0  0
 13 23  1  0  0  0  0
M  END
>  <Mol_ID> (4,762)
4762

>  <Formula> (4,762)
C23H19Cl2N3O4

>  <MolWeight> (4,762)
472.32066

>  <COMPOUND_NAME> (4,762)
WAY-271087

>  <BAR_CODE_NO> (4,762)
396970

$$$$
WAY-271127
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.8958   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1500   -0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958    0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3125   -0.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1500    0.4958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4958   -0.4667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7875    0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2333    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6958    1.3333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6958   -1.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9333    0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7500   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667   -0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3333   -1.2292    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.5500   -0.1292    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.7042   -1.1292    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.1500    0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7042   -0.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5333   -1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9708    0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7875    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667   -0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  3  1  0  0  0  0
  9  8  3  0  0  0  0
 10  6  1  0  0  0  0
 11  6  1  0  0  0  0
 12 15  1  0  0  0  0
 13  7  1  0  0  0  0
 14 10  1  0  0  0  0
 15 11  1  0  0  0  0
 16 13  1  0  0  0  0
 17  7  2  0  0  0  0
 18 13  2  0  0  0  0
 19 14  1  0  0  0  0
 20 15  1  0  0  0  0
 21 17  1  0  0  0  0
 22 21  2  0  0  0  0
  2  5  2  0  0  0  0
 12 14  1  0  0  0  0
 22 18  1  0  0  0  0
M  END
>  <Mol_ID> (4,763)
4763

>  <Formula> (4,763)
C16H16FN3O2

>  <MolWeight> (4,763)
301.3155432

>  <COMPOUND_NAME> (4,763)
WAY-271127

>  <BAR_CODE_NO> (4,763)
397010

$$$$
WAY-271131-A
csChFnd80/06171916322D

 19 20  0  0  0  0  0  0  0  0999 V2000
    4.2917   -2.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000   -1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1667   -1.7292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.1042   -2.6750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4750   -1.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7167   -3.1167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0292   -0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3917   -0.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9125   -2.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4750   -3.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2875   -1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042   -2.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042   -2.2417    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7000   -2.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167   -3.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5250   -3.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9000   -1.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8042   -0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000   -3.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  1  2  0  0  0  0
  7  2  1  0  0  0  0
  8  7  2  0  0  0  0
  9  6  1  0  0  0  0
 10  4  1  0  0  0  0
 11  5  1  0  0  0  0
 12 17  1  0  0  0  0
 13 12  1  0  0  0  0
 14  9  1  0  0  0  0
 15  9  2  0  0  0  0
 16 15  1  0  0  0  0
 17 14  2  0  0  0  0
 18  7  1  0  0  0  0
 19 10  1  0  0  0  0
  5  2  2  0  0  0  0
 12 16  2  0  0  0  0
M  END
>  <Mol_ID> (4,764)
4764

>  <Formula> (4,764)
C14H15ClN2OS

>  <MolWeight> (4,764)
294.7997

>  <COMPOUND_NAME> (4,764)
WAY-271131

>  <BAR_CODE_NO> (4,764)
397014

$$$$
WAY-271146
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -2.4875    7.4917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1125    6.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2208    7.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6208    6.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3000    6.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3750    4.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0625    4.3417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6667    6.2792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9125    6.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542    5.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7708    4.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5375    5.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3625    6.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7833    7.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1458    5.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2958    3.2958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8583    5.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833    4.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5583    5.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8375    5.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4750    4.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2583    5.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  7  1  0  0  0  0
  7 15  1  0  0  0  0
  8 10  3  0  0  0  0
  9  5  1  0  0  0  0
 10 19  1  0  0  0  0
 11  6  1  0  0  0  0
 12  4  1  0  0  0  0
 13  2  2  0  0  0  0
 14  3  2  0  0  0  0
 15 12  2  0  0  0  0
 16  6  2  0  0  0  0
 17 11  1  0  0  0  0
 18 11  2  0  0  0  0
 19 21  2  0  0  0  0
 20  9  2  0  0  0  0
 21 18  1  0  0  0  0
 22 17  2  0  0  0  0
  5  4  2  0  0  0  0
 20 15  1  0  0  0  0
 22 19  1  0  0  0  0
M  END
>  <Mol_ID> (4,765)
4765

>  <Formula> (4,765)
C16H9N3O3

>  <MolWeight> (4,765)
291.26096

>  <COMPOUND_NAME> (4,765)
WAY-271146

>  <BAR_CODE_NO> (4,765)
397029

$$$$
WAY-271147
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -2.4875    7.4917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1125    6.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2208    7.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6208    6.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3000    6.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3750    4.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0625    4.3417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9125    6.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7708    4.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5375    5.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3625    6.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7833    7.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1458    5.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5583    5.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0500    5.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2958    3.2958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7417    5.5292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833    4.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8583    5.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4750    4.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2500    5.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8375    5.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0375    6.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  7  1  0  0  0  0
  7 13  1  0  0  0  0
  8  5  1  0  0  0  0
  9  6  1  0  0  0  0
 10  4  1  0  0  0  0
 11  2  2  0  0  0  0
 12  3  2  0  0  0  0
 13 10  2  0  0  0  0
 14 21  1  0  0  0  0
 15 14  1  0  0  0  0
 16  6  2  0  0  0  0
 17 15  2  0  0  0  0
 18  9  2  0  0  0  0
 19  9  1  0  0  0  0
 20 18  1  0  0  0  0
 21 19  2  0  0  0  0
 22  8  2  0  0  0  0
 23 15  1  0  0  0  0
  5  4  2  0  0  0  0
 22 13  1  0  0  0  0
 20 14  2  0  0  0  0
M  END
>  <Mol_ID> (4,766)
4766

>  <Formula> (4,766)
C17H12N2O4

>  <MolWeight> (4,766)
308.28818

>  <COMPOUND_NAME> (4,766)
WAY-271147

>  <BAR_CODE_NO> (4,766)
397030

$$$$
WAY-271169
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -0.7708   -0.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7125   -0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7125   -1.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1333   -1.3667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1333   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1500   -0.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500   -1.4792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7833   -0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500   -0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7833   -1.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1500   -1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3125   -0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6667   -1.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542   -1.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542   -0.3292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0542   -1.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9500    0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9875   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3125    0.3833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6875   -0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667   -0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3125   -1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8500   -0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8500   -1.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9792   -2.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6042   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  9  2  0  0  0  0
  9  2  1  0  0  0  0
 10  7  2  0  0  0  0
 11  6  1  0  0  0  0
 12  8  1  0  0  0  0
 13 16  2  0  0  0  0
 14 11  1  0  0  0  0
 15  6  2  0  0  0  0
 16 14  1  0  0  0  0
 17  5  1  0  0  0  0
 18 20  2  0  0  0  0
 19 12  2  0  0  0  0
 20 21  1  0  0  0  0
 21 14  2  0  0  0  0
 22 10  1  0  0  0  0
 23 12  1  0  0  0  0
 24 22  1  0  0  0  0
 25 13  1  0  0  0  0
 26 18  1  0  0  0  0
  2  3  2  0  0  0  0
 10  8  1  0  0  0  0
 13 18  1  0  0  0  0
 24 23  1  0  0  0  0
M  END
>  <Mol_ID> (4,767)
4767

>  <Formula> (4,767)
C20H19N3O2S

>  <MolWeight> (4,767)
365.44876

>  <COMPOUND_NAME> (4,767)
WAY-271169

>  <BAR_CODE_NO> (4,767)
397052

$$$$
WAY-271170
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -0.7708   -0.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7125   -0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7125   -1.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1333   -1.3667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1333   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1500   -0.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500   -1.4792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7833   -0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500   -0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7833   -1.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1500   -1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3125   -0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542   -0.3292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9500    0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3125    0.3833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542   -1.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9875   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6042   -1.5000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.0667   -0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0542   -1.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6667   -1.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6875   -0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3125   -1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8500   -0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8500   -1.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  9  2  0  0  0  0
  9  2  1  0  0  0  0
 10  7  2  0  0  0  0
 11  6  1  0  0  0  0
 12  8  1  0  0  0  0
 13  6  2  0  0  0  0
 14  5  1  0  0  0  0
 15 12  2  0  0  0  0
 16 11  1  0  0  0  0
 17 21  1  0  0  0  0
 18 17  1  0  0  0  0
 19 16  2  0  0  0  0
 20 16  1  0  0  0  0
 21 20  2  0  0  0  0
 22 19  1  0  0  0  0
 23 10  1  0  0  0  0
 24 12  1  0  0  0  0
 25 23  1  0  0  0  0
  3  2  2  0  0  0  0
  8 10  1  0  0  0  0
 22 17  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (4,768)
4768

>  <Formula> (4,768)
C18H14BrN3O2S

>  <MolWeight> (4,768)
416.29166

>  <COMPOUND_NAME> (4,768)
WAY-271170

>  <BAR_CODE_NO> (4,768)
397053

$$$$
WAY-271171
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -0.7833   -0.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7000   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7000   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208   -1.2875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208   -0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1708   -0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2208   -1.4042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7458   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2208   -0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167   -1.3875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7458   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7167   -1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2625   -0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0375   -0.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1500   -0.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042   -1.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208    0.2708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2625    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042   -1.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9167   -1.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9792   -0.3667    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.2625   -1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7833   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7833   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   -2.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  9  2  0  0  0  0
  9  2  1  0  0  0  0
 10  6  1  0  0  0  0
 11  7  2  0  0  0  0
 12 10  1  0  0  0  0
 13  8  1  0  0  0  0
 14 12  2  0  0  0  0
 15  6  2  0  0  0  0
 16 12  1  0  0  0  0
 17  5  1  0  0  0  0
 18 13  2  0  0  0  0
 19 16  2  0  0  0  0
 20 14  1  0  0  0  0
 21 19  1  0  0  0  0
 22 20  1  0  0  0  0
 23 11  1  0  0  0  0
 24 13  1  0  0  0  0
 25 23  1  0  0  0  0
 26 16  1  0  0  0  0
  2  3  2  0  0  0  0
 11  8  1  0  0  0  0
 21 20  2  0  0  0  0
 25 24  1  0  0  0  0
M  END
>  <Mol_ID> (4,769)
4769

>  <Formula> (4,769)
C19H16ClN3O2S

>  <MolWeight> (4,769)
385.86724

>  <COMPOUND_NAME> (4,769)
WAY-271171

>  <BAR_CODE_NO> (4,769)
397054

$$$$
WAY-271173
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
    0.2042   -0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6625   -0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6625   -0.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1125   -0.9875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1125   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7875   -0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1625   -1.1042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6625   -0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1625    0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6625   -0.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792   -1.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1625    0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792   -0.0500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000    0.4958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1625    0.6333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9375   -0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1625   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6625   -0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6625   -0.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9375   -1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042   -0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9500    0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042   -1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000   -1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  9  2  0  0  0  0
  9  2  1  0  0  0  0
 10  7  2  0  0  0  0
 11  6  1  0  0  0  0
 12  8  1  0  0  0  0
 13 11  1  0  0  0  0
 14  6  2  0  0  0  0
 15  5  1  0  0  0  0
 16 12  2  0  0  0  0
 17 13  2  0  0  0  0
 18 10  1  0  0  0  0
 19 12  1  0  0  0  0
 20 18  1  0  0  0  0
 21 13  1  0  0  0  0
 22 17  1  0  0  0  0
 23 17  1  0  0  0  0
 24 22  1  0  0  0  0
 25 21  2  0  0  0  0
 26 25  1  0  0  0  0
  3  2  2  0  0  0  0
  8 10  1  0  0  0  0
 23 26  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (4,770)
4770

>  <Formula> (4,770)
C20H19N3O2S

>  <MolWeight> (4,770)
365.44876

>  <COMPOUND_NAME> (4,770)
WAY-271173

>  <BAR_CODE_NO> (4,770)
397056

$$$$
WAY-271174
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
    0.2167   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6458   -0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6458   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1000   -0.9292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1000   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7875   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458   -1.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6333   -0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6333   -0.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0500   -1.0167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1208    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0875   -0.0500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0875    0.5125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1208    0.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6167   -1.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7375   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3042   -1.1167    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.9167   -0.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8875   -1.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4792   -0.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417   -1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1208   -1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6208   -0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6208   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  9  2  0  0  0  0
  9  2  1  0  0  0  0
 10  7  2  0  0  0  0
 11  6  1  0  0  0  0
 12  8  1  0  0  0  0
 13  6  2  0  0  0  0
 14  5  1  0  0  0  0
 15 12  2  0  0  0  0
 16 11  1  0  0  0  0
 17 22  1  0  0  0  0
 18 17  1  0  0  0  0
 19 16  2  0  0  0  0
 20 16  1  0  0  0  0
 21 19  1  0  0  0  0
 22 20  2  0  0  0  0
 23 10  1  0  0  0  0
 24 12  1  0  0  0  0
 25 23  1  0  0  0  0
  2  3  2  0  0  0  0
 10  8  1  0  0  0  0
 17 21  2  0  0  0  0
 25 24  1  0  0  0  0
M  END
>  <Mol_ID> (4,771)
4771

>  <Formula> (4,771)
C18H14FN3O2S

>  <MolWeight> (4,771)
355.3860632

>  <COMPOUND_NAME> (4,771)
WAY-271174

>  <BAR_CODE_NO> (4,771)
397057

$$$$
WAY-271175
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
    0.3000   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0125   -0.4375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0125    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8500   -0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0125   -0.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1000   -0.5292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4833    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0125    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6375   -0.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4833   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8875   -1.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9292   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9500    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1375    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4292   -1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4792   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1792    0.9625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7375   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9500    1.0958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9500   -0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000   -1.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6667    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4333    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4333   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2875   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  6  1  0  0  0  0
  9 10  2  0  0  0  0
 10  2  1  0  0  0  0
 11  8  1  0  0  0  0
 12  7  2  0  0  0  0
 13 11  1  0  0  0  0
 14 11  2  0  0  0  0
 15  9  1  0  0  0  0
 16  6  2  0  0  0  0
 17 13  2  0  0  0  0
 18 14  1  0  0  0  0
 19  5  1  0  0  0  0
 20 18  2  0  0  0  0
 21 15  2  0  0  0  0
 22 12  1  0  0  0  0
 23 13  1  0  0  0  0
 24 14  1  0  0  0  0
 25 15  1  0  0  0  0
 26 22  1  0  0  0  0
 27 20  1  0  0  0  0
  2  3  2  0  0  0  0
 12  9  1  0  0  0  0
 20 17  1  0  0  0  0
 26 25  1  0  0  0  0
M  END
>  <Mol_ID> (4,772)
4772

>  <Formula> (4,772)
C21H21N3O2S

>  <MolWeight> (4,772)
379.47534

>  <COMPOUND_NAME> (4,772)
WAY-271175

>  <BAR_CODE_NO> (4,772)
397058

$$$$
WAY-271176
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
    0.3000   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0125   -0.4375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0125    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8500   -0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0125   -0.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4833    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0125    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4833   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1000   -0.5292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9500    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6375   -0.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1375    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1792    0.9625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9500    1.0958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8875   -1.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9500   -0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4333    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4333   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9292   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000   -1.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4292   -1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4792   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7375   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  9  2  0  0  0  0
  9  2  1  0  0  0  0
 10  7  2  0  0  0  0
 11  6  1  0  0  0  0
 12  8  1  0  0  0  0
 13 11  1  0  0  0  0
 14  6  2  0  0  0  0
 15  5  1  0  0  0  0
 16 12  2  0  0  0  0
 17 13  1  0  0  0  0
 18 10  1  0  0  0  0
 19 12  1  0  0  0  0
 20 18  1  0  0  0  0
 21 13  2  0  0  0  0
 22 17  1  0  0  0  0
 23 17  2  0  0  0  0
 24 21  1  0  0  0  0
 25 24  2  0  0  0  0
  3  2  2  0  0  0  0
  8 10  1  0  0  0  0
 23 25  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (4,773)
4773

>  <Formula> (4,773)
C19H17N3O2S

>  <MolWeight> (4,773)
351.42218

>  <COMPOUND_NAME> (4,773)
WAY-271176

>  <BAR_CODE_NO> (4,773)
397059

$$$$
WAY-271177
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
    0.3000   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0125   -0.4375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0125    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8500   -0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0125   -0.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4833    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0125    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1000   -0.5292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4833   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6375   -0.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8875   -1.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9500    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1375    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4292   -1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1792    0.9625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9500    1.0958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7167   -1.5792    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.9500   -0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9292   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000   -1.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4333    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4333   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4792   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7375   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  9  2  0  0  0  0
  9  2  1  0  0  0  0
 10  6  1  0  0  0  0
 11  7  2  0  0  0  0
 12 10  1  0  0  0  0
 13 12  1  0  0  0  0
 14  8  1  0  0  0  0
 15  6  2  0  0  0  0
 16 13  2  0  0  0  0
 17  5  1  0  0  0  0
 18 14  2  0  0  0  0
 19 16  1  0  0  0  0
 20 11  1  0  0  0  0
 21 12  2  0  0  0  0
 22 13  1  0  0  0  0
 23 14  1  0  0  0  0
 24 20  1  0  0  0  0
 25 21  1  0  0  0  0
 26 25  2  0  0  0  0
  2  3  2  0  0  0  0
 11  8  1  0  0  0  0
 26 16  1  0  0  0  0
 24 23  1  0  0  0  0
M  END
>  <Mol_ID> (4,774)
4774

>  <Formula> (4,774)
C19H16ClN3O2S

>  <MolWeight> (4,774)
385.86724

>  <COMPOUND_NAME> (4,774)
WAY-271177

>  <BAR_CODE_NO> (4,774)
397060

$$$$
WAY-271179
csChFnd80/06171916322D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -0.8000    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333   -0.2792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1500    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1500   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708    0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333    0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292    0.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1034    1.0929    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7500   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292   -0.2875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7500    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5792   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708    1.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0500   -0.0292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5542   -0.8375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8958   -0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3000   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  7  1  0  0  0  0
  5  4  2  0  0  0  0
  6  1  1  0  0  0  0
  7  1  2  0  0  0  0
  8  4  1  0  0  0  0
  9  8  3  0  0  0  0
 10 13  1  0  0  0  0
 11  5  1  0  0  0  0
 12  2  1  0  0  0  0
 13  6  1  0  0  0  0
 14 17  1  0  0  0  0
 15  6  2  0  0  0  0
 16 14  2  0  0  0  0
 17 11  1  0  0  0  0
 18 14  1  0  0  0  0
 19 10  1  0  0  0  0
 20 10  1  0  0  0  0
 10 12  1  0  0  0  0
  5  3  1  0  0  0  0
M  END
>  <Mol_ID> (4,775)
4775

>  <Formula> (4,775)
C14H15N3O2S

>  <MolWeight> (4,775)
289.3528

>  <COMPOUND_NAME> (4,775)
WAY-271179

>  <BAR_CODE_NO> (4,775)
397062

$$$$
WAY-271181
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -0.1833   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0458    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0458   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000   -0.5292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000    0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3875   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458   -0.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0333    0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0333   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6500   -0.6167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5208    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0500   -1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4875   -1.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167   -0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6875    0.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3125    0.9125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542   -0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5208    1.0500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0792   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3042   -1.6667    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.5042   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5208   -0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0208    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0208   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9292   -0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  9  2  0  0  0  0
  9  2  1  0  0  0  0
 10  7  2  0  0  0  0
 11  6  1  0  0  0  0
 12  8  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 11  1  0  0  0  0
 16  6  2  0  0  0  0
 17  5  1  0  0  0  0
 18 20  2  0  0  0  0
 19 12  2  0  0  0  0
 20 22  1  0  0  0  0
 21 13  1  0  0  0  0
 22 15  2  0  0  0  0
 23 10  1  0  0  0  0
 24 12  1  0  0  0  0
 25 23  1  0  0  0  0
 26 18  1  0  0  0  0
  3  2  2  0  0  0  0
  8 10  1  0  0  0  0
 18 13  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (4,776)
4776

>  <Formula> (4,776)
C19H16ClN3O2S

>  <MolWeight> (4,776)
385.86724

>  <COMPOUND_NAME> (4,776)
WAY-271181

>  <BAR_CODE_NO> (4,776)
397064

$$$$
WAY-271182
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -0.2000   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0500    0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0500   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208   -0.5375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5333   -0.6375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292   -0.5375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0125    0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5333    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0125   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1875   -0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4958    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6375    0.4208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333    0.9208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542   -1.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4667   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4958    1.0458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4958   -0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9708    0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9708   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3000   -0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167   -1.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667   -1.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  6  1  0  0  0  0
  9 10  2  0  0  0  0
 10  2  1  0  0  0  0
 11  7  2  0  0  0  0
 12  8  1  0  0  0  0
 13  9  1  0  0  0  0
 14  6  2  0  0  0  0
 15  5  1  0  0  0  0
 16 12  1  0  0  0  0
 17 12  2  0  0  0  0
 18 13  2  0  0  0  0
 19 11  1  0  0  0  0
 20 13  1  0  0  0  0
 21 19  1  0  0  0  0
 22 24  2  0  0  0  0
 23 16  2  0  0  0  0
 24 17  1  0  0  0  0
 25 16  1  0  0  0  0
 26 17  1  0  0  0  0
  2  3  2  0  0  0  0
 11  9  1  0  0  0  0
 23 22  1  0  0  0  0
 21 20  1  0  0  0  0
M  END
>  <Mol_ID> (4,777)
4777

>  <Formula> (4,777)
C20H19N3O2S

>  <MolWeight> (4,777)
365.44876

>  <COMPOUND_NAME> (4,777)
WAY-271182

>  <BAR_CODE_NO> (4,777)
397065

$$$$
WAY-271183
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -0.4208   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208   -0.6875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208    0.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6833   -0.7875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1333    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1333   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667   -0.7375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6833    0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8875   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5833    0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1500   -1.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1500   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0458   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5833   -0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0458    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667    0.1708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6667   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6667   -1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5833    0.7958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5500    0.6708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9292   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8875   -1.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792    0.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3000   -0.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5625   -0.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4542   -0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8 11  2  0  0  0  0
  9  7  2  0  0  0  0
 10  6  1  0  0  0  0
 11  2  1  0  0  0  0
 12 10  1  0  0  0  0
 13  8  1  0  0  0  0
 14 12  1  0  0  0  0
 15 12  2  0  0  0  0
 16 17  1  0  0  0  0
 17  9  1  0  0  0  0
 18 13  1  0  0  0  0
 19  6  2  0  0  0  0
 20 15  1  0  0  0  0
 21 14  2  0  0  0  0
 22 13  2  0  0  0  0
 23  5  1  0  0  0  0
 24 20  2  0  0  0  0
 25 14  1  0  0  0  0
 26 15  1  0  0  0  0
 27 16  1  0  0  0  0
 28 16  1  0  0  0  0
 29 24  1  0  0  0  0
  3  2  2  0  0  0  0
  8  9  1  0  0  0  0
 24 21  1  0  0  0  0
 18 16  1  0  0  0  0
M  END
>  <Mol_ID> (4,778)
4778

>  <Formula> (4,778)
C23H25N3O2S

>  <MolWeight> (4,778)
407.5285

>  <COMPOUND_NAME> (4,778)
WAY-271183

>  <BAR_CODE_NO> (4,778)
397066

$$$$
WAY-271185
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -0.2333   -0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458   -0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5708   -0.9542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5708    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6625   -1.0792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6625    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708   -0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6667   -1.0167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6833    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6667    0.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3625    0.5833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6833    0.7208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667   -1.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4667   -1.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5667   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5667   -1.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1667   -1.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1667   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6833   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2000   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2000   -0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0667   -1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  9  2  0  0  0  0
  9  2  1  0  0  0  0
 10  7  2  0  0  0  0
 11  6  1  0  0  0  0
 12  8  1  0  0  0  0
 13  6  2  0  0  0  0
 14  5  1  0  0  0  0
 15 12  2  0  0  0  0
 16 11  1  0  0  0  0
 17 20  1  0  0  0  0
 18 16  2  0  0  0  0
 19 16  1  0  0  0  0
 20 19  2  0  0  0  0
 21 18  1  0  0  0  0
 22 10  1  0  0  0  0
 23 12  1  0  0  0  0
 24 22  1  0  0  0  0
 25 17  1  0  0  0  0
  2  3  2  0  0  0  0
 10  8  1  0  0  0  0
 21 17  2  0  0  0  0
 24 23  1  0  0  0  0
M  END
>  <Mol_ID> (4,779)
4779

>  <Formula> (4,779)
C19H17N3O2S

>  <MolWeight> (4,779)
351.42218

>  <COMPOUND_NAME> (4,779)
WAY-271185

>  <BAR_CODE_NO> (4,779)
397068

$$$$
WAY-271197
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.1792   -2.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7625   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1792   -3.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8375   -2.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167   -3.4542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167   -1.7167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833   -0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208    0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7625   -3.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208    1.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7000   -2.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1792    0.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9375   -2.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7000   -3.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833    1.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6500   -0.4042    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.1542    1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833    2.8625    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.6500   -3.6167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  6  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  3  1  0  0  0  0
 10  8  2  0  0  0  0
 11  2  2  0  0  0  0
 12  7  2  0  0  0  0
 13  4  2  0  0  0  0
 14  9  2  0  0  0  0
 15 17  2  0  0  0  0
 16  8  1  0  0  0  0
 17 12  1  0  0  0  0
 18 15  1  0  0  0  0
 19 14  1  0  0  0  0
  4  5  1  0  0  0  0
 14 11  1  0  0  0  0
 15 10  1  0  0  0  0
M  END
>  <Mol_ID> (4,780)
4780

>  <Formula> (4,780)
C13H6Cl2O3S

>  <MolWeight> (4,780)
313.15594

>  <COMPOUND_NAME> (4,780)
WAY-271197

>  <BAR_CODE_NO> (4,780)
397080

$$$$
WAY-271210
csChFnd80/06171916322D

 34 38  0  0  0  0  0  0  0  0999 V2000
    9.6542    6.0167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6792    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2292    5.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4417    6.6250    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2292    4.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9375    8.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0167    3.8750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6292    7.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0167    6.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8042    4.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9375    4.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8042    5.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5917    3.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792    4.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792    5.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5917    6.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0667    0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667    3.8750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667    6.6250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5917    9.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8667    3.7333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3667    0.4708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4417    3.8750    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.9917    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2417    4.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5250    2.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8292    2.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8417   10.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9917    9.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6417   10.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4500   11.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8500   12.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  2  0  0  0  0
  7  5  2  0  0  0  0
  8  4  1  0  0  0  0
  9  3  2  0  0  0  0
 10 12  1  0  0  0  0
 11  1  1  0  0  0  0
 12  9  1  0  0  0  0
 13 10  2  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 12  2  0  0  0  0
 17 27  1  0  0  0  0
 18 14  1  0  0  0  0
 19 15  1  0  0  0  0
 20  6  1  0  0  0  0
 21 11  2  0  0  0  0
 22 17  2  0  0  0  0
 23  5  1  0  0  0  0
 24 17  1  0  0  0  0
 25 11  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 29  1  0  0  0  0
 29 19  1  0  0  0  0
 30 20  1  0  0  0  0
 31 20  2  0  0  0  0
 32 31  1  0  0  0  0
 33 30  2  0  0  0  0
 34 32  2  0  0  0  0
  6  8  1  0  0  0  0
 10  7  1  0  0  0  0
 33 34  1  0  0  0  0
 14 13  1  0  0  0  0
 28 18  1  0  0  0  0
M  END
>  <Mol_ID> (4,781)
4781

>  <Formula> (4,781)
C25H22ClN3O5

>  <MolWeight> (4,781)
479.91228

>  <COMPOUND_NAME> (4,781)
WAY-271210

>  <BAR_CODE_NO> (4,781)
397093

$$$$
WAY-271373
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.0486    0.3519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6796   -0.2964    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8003    0.3519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6796    1.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0721   -0.2929    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0486   -0.9481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1796   -0.2964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1796    1.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0486    1.6519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8135   -0.2929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0721   -1.0446    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0721    0.4554    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8003   -0.9481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8003    1.6416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1825   -0.9446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1825    0.3554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9342   -0.9446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8135   -1.5826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9342    0.3554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8135    1.0071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3135   -0.2929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0618   -0.2929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  5 12  2  0  0  0  0
  6 13  1  0  0  0  0
  8 14  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 21 22  1  0  0  0  0
  7 13  1  0  0  0  0
  9 14  2  0  0  0  0
 19 21  2  0  0  0  0
M  END
>  <Mol_ID> (4,782)
4782

>  <Formula> (4,782)
C18H21NO2S

>  <MolWeight> (4,782)
315.42984

>  <COMPOUND_NAME> (4,782)
WAY-271373

>  <BAR_CODE_NO> (4,782)
397257

$$$$
WAY-271376
csChFnd80/06171916322D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -0.2395    2.0253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4605    1.4086    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0395    1.5711    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0772    0.5461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8395    0.6461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2395    2.9961    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8853    2.0253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8853    2.9711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0395    3.4461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0772   -1.0914    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5605   -0.2747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5397   -1.8914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4772   -1.9122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0605   -2.7122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9397   -2.7122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5147   -3.5122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4605   -3.5289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  9  1  0  0  0  0
  9  6  2  0  0  0  0
 10 11  1  0  0  0  0
 11  4  1  0  0  0  0
 12 10  1  0  0  0  0
 13 12  1  0  0  0  0
 14 12  2  0  0  0  0
 15 13  2  0  0  0  0
 16 14  1  0  0  0  0
 17 16  2  0  0  0  0
  4  5  2  0  0  0  0
  8  7  2  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <Mol_ID> (4,783)
4783

>  <Formula> (4,783)
C13H11N3S

>  <MolWeight> (4,783)
241.31154

>  <COMPOUND_NAME> (4,783)
WAY-271376

>  <BAR_CODE_NO> (4,783)
397260

$$$$
WAY-271385
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -1.0833   -1.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833   -0.5292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3625   -1.7875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3625   -0.1042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.8625   -1.6042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792   -1.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3625    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8625   -0.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3458    2.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3458   -0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0625    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1000   -1.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1000   -2.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8375   -1.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3458    3.2708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167    2.4333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8000    2.4583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5375   -2.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5542   -1.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8167   -3.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2792   -3.0500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792    3.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1000    3.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5458    2.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2542   -3.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  7  2  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  2  0  0  0  0
  7  4  1  0  0  0  0
  8  5  1  0  0  0  0
  9  2  1  0  0  0  0
 10 12  2  0  0  0  0
 11  6  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  2  0  0  0  0
 14  8  1  0  0  0  0
 15  8  2  0  0  0  0
 16  7  1  0  0  0  0
 17 16  2  0  0  0  0
 18 16  1  0  0  0  0
 19 10  1  0  0  0  0
 20 12  1  0  0  0  0
 21 13  1  0  0  0  0
 22 23  1  0  0  0  0
 23 18  2  0  0  0  0
 24 17  1  0  0  0  0
 25 22  1  0  0  0  0
 26 19  1  0  0  0  0
 27 20  1  0  0  0  0
 28 21  1  0  0  0  0
 29 25  1  0  0  0  0
  9 11  2  0  0  0  0
  3  5  1  0  0  0  0
 24 22  2  0  0  0  0
 10 13  1  0  0  0  0
M  END
>  <Mol_ID> (4,784)
4784

>  <Formula> (4,784)
C21H22N4O4

>  <MolWeight> (4,784)
394.42378

>  <COMPOUND_NAME> (4,784)
WAY-271385

>  <BAR_CODE_NO> (4,784)
397269

$$$$
WAY-271391
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -0.1000    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1500    1.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1500    0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958    0.1500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958    1.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6000    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7625    0.0208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3625    1.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7625    1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3625    0.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9375    0.1125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9625    1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6542   -0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9792   -1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9500    1.3208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6292    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9667   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2625    1.9583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9625    2.1208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6792   -1.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9625    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5708    1.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0292    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5708    0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6792    0.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9792    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6000   -1.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  9  2  0  0  0  0
  9  2  1  0  0  0  0
 10  7  2  0  0  0  0
 11  6  1  0  0  0  0
 12  8  1  0  0  0  0
 13 17  1  0  0  0  0
 14 13  1  0  0  0  0
 15  6  2  0  0  0  0
 16 11  1  0  0  0  0
 17 16  2  0  0  0  0
 18  5  1  0  0  0  0
 19 12  2  0  0  0  0
 20 14  2  0  0  0  0
 21 10  1  0  0  0  0
 22 12  1  0  0  0  0
 23 25  1  0  0  0  0
 24 21  1  0  0  0  0
 25 26  2  0  0  0  0
 26 16  1  0  0  0  0
 27 14  1  0  0  0  0
  3  2  2  0  0  0  0
  8 10  1  0  0  0  0
 13 23  2  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <Mol_ID> (4,785)
4785

>  <Formula> (4,785)
C20H17N3O3S

>  <MolWeight> (4,785)
379.43228

>  <COMPOUND_NAME> (4,785)
WAY-271391

>  <BAR_CODE_NO> (4,785)
397275

$$$$
WAY-291220
csChFnd80/06171916322D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -0.2653    0.7446    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1515    1.9826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9726    1.1274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8274   -0.5554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5067    1.8653    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4412    3.0446    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9726    2.5446    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1554    0.0929    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2412   -0.7036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0278   -1.7657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1274    0.5067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5933   -1.2623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6032    0.3308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6864   -2.2381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9830   -2.1485    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7726   -3.5657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  2  0  0  0  0
  8 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
  6  7  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <Mol_ID> (4,786)
4786

>  <Formula> (4,786)
C9H10N4O2S

>  <MolWeight> (4,786)
238.2663

>  <COMPOUND_NAME> (4,786)
WAY-291220

>  <BAR_CODE_NO> (4,786)
90434854

$$$$
WAY-300035
csChFnd80/06171916322D

 31 35  0  0  0  0  0  0  0  0999 V2000
   -2.2793    0.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9793    0.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2793   -0.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9276    0.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3448    0.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9793   -0.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6310   -0.9414    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9276   -0.9414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5793    0.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3034    0.2103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3448    1.3379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3310   -0.9414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5793   -0.5690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3517   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4966   -1.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1552    0.8069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3069   -0.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9517    0.5862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3172   -0.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9517    1.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4828    1.8655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2069    1.6724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4034    0.9483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1276    0.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3207    0.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6552    1.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7897   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0448   -0.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9828   -1.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2379   -0.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7103   -1.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
  9 16  1  0  0  0  0
  9 17  1  0  0  0  0
 10 18  1  0  0  0  0
 10 19  1  0  0  0  0
 11 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  2  0  0  0  0
 27 29  2  0  0  0  0
 28 30  1  0  0  0  0
 29 31  1  0  0  0  0
  6  7  1  0  0  0  0
  9 13  1  0  0  0  0
 12 19  2  0  0  0  0
 18 20  2  0  0  0  0
 30 31  2  0  0  0  0
M  END
>  <Mol_ID> (4,787)
4787

>  <Formula> (4,787)
C23H26N6OS

>  <MolWeight> (4,787)
434.55714

>  <COMPOUND_NAME> (4,787)
WAY-300035

>  <BAR_CODE_NO> (4,787)
90435903

$$$$
WAY-341517
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.1101    0.7447    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8899    1.4861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1308    1.4861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2412   -0.5139    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0795    1.1033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4795    2.6723    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7308    2.6723    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2826    0.9516    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3826   -1.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0105    1.9344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3174   -0.1346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4101   -0.3139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4619   -2.2863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1899    1.5240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5002   -0.5277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5826   -2.8277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4588    0.3033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6101   -2.1139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6619   -4.0656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6519   -0.0967    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4826   -0.8346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4895   -0.1070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  2  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  2  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
  6  7  1  0  0  0  0
  9 12  1  0  0  0  0
 15 17  2  0  0  0  0
M  END
>  <Mol_ID> (4,788)
4788

>  <Formula> (4,788)
C14H13ClN4O2S

>  <MolWeight> (4,788)
336.79662

>  <COMPOUND_NAME> (4,788)
WAY-341517

>  <BAR_CODE_NO> (4,788)
90449752

$$$$
WAY-358464
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    4.0292   -2.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4500   -3.4542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7000   -2.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6167   -3.4542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3542   -2.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0292   -1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9292   -4.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5000   -2.4167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2292   -1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6292   -0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7500   -4.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6500   -1.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0167   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5792   -2.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8500   -1.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2167   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8500   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1542   -4.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1542   -3.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292    0.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9792   -4.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000   -3.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4000   -4.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6  1  2  0  0  0  0
  7  2  1  0  0  0  0
  8  3  2  0  0  0  0
  9  6  1  0  0  0  0
 10 16  2  0  0  0  0
 11  7  1  0  0  0  0
 12  9  1  0  0  0  0
 13  9  2  0  0  0  0
 14  5  1  0  0  0  0
 15 12  2  0  0  0  0
 16 13  1  0  0  0  0
 17 10  1  0  0  0  0
 18 11  2  0  0  0  0
 19 11  1  0  0  0  0
 20 17  1  0  0  0  0
 21 18  1  0  0  0  0
 22 19  2  0  0  0  0
 23 22  1  0  0  0  0
  4  2  1  0  0  0  0
 15 10  1  0  0  0  0
 21 23  2  0  0  0  0
M  END
>  <Mol_ID> (4,789)
4789

>  <Formula> (4,789)
C19H18N2O2

>  <MolWeight> (4,789)
306.35842

>  <COMPOUND_NAME> (4,789)
WAY-358464

>  <BAR_CODE_NO> (4,789)
90435198

$$$$
WAY-388943
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
   12.3375   -8.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5375   -8.8625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5917   -5.7292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6542   -7.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2667   -7.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3917   -5.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2250   -2.7375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3667   -1.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9417   -5.6792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8542   -7.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2125  -10.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9417   -2.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3625   -4.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6667   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2250   -5.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7917   -4.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0667   -7.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3292   -4.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2167    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8000    0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -5.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1292   -4.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3292    1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6292    1.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  6  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7 12  1  0  0  0  0
  8  7  1  0  0  0  0
  9 10  1  0  0  0  0
 10  4  1  0  0  0  0
 11  1  2  0  0  0  0
 12 16  1  0  0  0  0
 13 15  1  0  0  0  0
 14  8  1  0  0  0  0
 15  9  1  0  0  0  0
 16  9  1  0  0  0  0
 17  5  2  0  0  0  0
 18 14  1  0  0  0  0
 19  6  2  0  0  0  0
 20  8  2  0  0  0  0
 21 14  2  0  0  0  0
 22 17  1  0  0  0  0
 23 22  2  0  0  0  0
 24 20  1  0  0  0  0
 25 24  2  0  0  0  0
  3  4  2  0  0  0  0
 19 23  1  0  0  0  0
 13  7  1  0  0  0  0
 21 25  1  0  0  0  0
M  END
>  <Mol_ID> (4,790)
4790

>  <Formula> (4,790)
C19H20N4O2

>  <MolWeight> (4,790)
336.3877

>  <COMPOUND_NAME> (4,790)
WAY-388943

>  <BAR_CODE_NO> (4,790)
90475072

$$$$
WAY-600632
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.7440   -0.2053    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1613   -0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1682    0.9223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0456   -1.6087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9199   -1.2294    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8302    1.1947    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2215    1.3775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0682    1.9809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4767   -1.6122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6302   -2.9053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3164   -1.1812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2164    1.2464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1353    2.6602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5974    0.9740    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3387   -0.6260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1284   -2.7191    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.9751    0.0740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4215    3.2119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3456    2.1395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7146   -1.2087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6042   -2.3915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  2  0  0  0  0
  7 14  1  0  0  0  0
  9 15  2  0  0  0  0
  9 16  1  0  0  0  0
 11 17  2  0  0  0  0
 13 18  1  0  0  0  0
 14 19  1  0  0  0  0
 15 20  1  0  0  0  0
 16 21  1  0  0  0  0
 12 17  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (4,791)
4791

>  <Formula> (4,791)
C14H9N3O2S2

>  <MolWeight> (4,791)
315.37016

>  <COMPOUND_NAME> (4,791)
WAY-600632

>  <BAR_CODE_NO> (4,791)
90434023

$$$$
WAY-601254
csChFnd80/06171916322D

 34 38  0  0  0  0  0  0  0  0999 V2000
   -0.3958   -0.3042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167    0.9333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083   -0.7167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8167   -0.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3042    0.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8167    0.7750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8250   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083    0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8250    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5375   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1292    0.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5375   -1.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167   -1.5417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2500   -1.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2500   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9708   -1.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5417   -0.6042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9708   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667   -1.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5417    0.8208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083    1.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5375    0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6042    1.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2500   -2.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6833   -1.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3667    0.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7792    1.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0167    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8250    2.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5375    1.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  6  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  2  0  0  0  0
  6  1  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  8  2  0  0  0  0
 10  4  1  0  0  0  0
 11  7  2  0  0  0  0
 12  3  1  0  0  0  0
 13 11  1  0  0  0  0
 14 11  1  0  0  0  0
 15  9  1  0  0  0  0
 16 14  2  0  0  0  0
 17  6  2  0  0  0  0
 18 16  1  0  0  0  0
 19 14  1  0  0  0  0
 20 22  1  0  0  0  0
 21 15  2  0  0  0  0
 22 19  2  0  0  0  0
 23  8  1  0  0  0  0
 24 15  1  0  0  0  0
 25 12  1  0  0  0  0
 26 13  1  0  0  0  0
 27 31  1  0  0  0  0
 28 18  1  0  0  0  0
 29 20  1  0  0  0  0
 30 24  1  0  0  0  0
 31 30  1  0  0  0  0
 32 27  1  0  0  0  0
 33 25  2  0  0  0  0
 34 26  2  0  0  0  0
  5  4  1  0  0  0  0
 13 12  2  0  0  0  0
 10  9  1  0  0  0  0
 34 33  1  0  0  0  0
 20 18  2  0  0  0  0
M  END
>  <Mol_ID> (4,792)
4792

>  <Formula> (4,792)
C26H23N3O4S

>  <MolWeight> (4,792)
473.54352

>  <COMPOUND_NAME> (4,792)
WAY-601254

>  <BAR_CODE_NO> (4,792)
90434696

$$$$
WAY-601257
csChFnd80/06171916322D

 29 33  0  0  0  0  0  0  0  0999 V2000
    1.0167    2.0208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0167    2.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292    1.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042    1.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292    3.1083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500    2.4333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042    3.1083    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2875    2.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208    0.9833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458   -2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0542    0.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958   -1.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833    0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6583   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8958   -0.1417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333   -3.0417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7458   -3.3167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1458   -0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9875   -3.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333   -0.5875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8333    0.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2083   -1.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5042    0.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8667    0.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9500   -1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1167    0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7625   -0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5667   -0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8250   -1.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  2  0  0  0  0
  6  3  2  0  0  0  0
  7  2  1  0  0  0  0
  8  4  2  0  0  0  0
  9  3  1  0  0  0  0
 10 12  1  0  0  0  0
 11  4  1  0  0  0  0
 12 18  2  0  0  0  0
 13 21  1  0  0  0  0
 14 22  1  0  0  0  0
 15 13  1  0  0  0  0
 16 10  1  0  0  0  0
 17 14  1  0  0  0  0
 18 15  1  0  0  0  0
 19 16  1  0  0  0  0
 20 13  2  0  0  0  0
 21  9  1  0  0  0  0
 22 25  2  0  0  0  0
 23 11  2  0  0  0  0
 24 11  1  0  0  0  0
 25 18  1  0  0  0  0
 26 24  2  0  0  0  0
 27 23  1  0  0  0  0
 28 26  1  0  0  0  0
 29 28  1  0  0  0  0
  7  8  1  0  0  0  0
  6  5  1  0  0  0  0
 28 27  2  0  0  0  0
 14 10  2  0  0  0  0
 19 17  1  0  0  0  0
M  END
>  <Mol_ID> (4,793)
4793

>  <Formula> (4,793)
C20H16N4O3S2

>  <MolWeight> (4,793)
424.49604

>  <COMPOUND_NAME> (4,793)
WAY-601257

>  <BAR_CODE_NO> (4,793)
90434699

$$$$
WAY-601258
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -0.0083    1.0083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083    1.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7750    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958    2.0833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2833    1.4208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7750    2.0833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2625    1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0500   -0.0292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1083   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5583   -1.6042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8583   -0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8375   -0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792   -0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9208   -1.1625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7292   -1.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0917   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5417   -1.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7917   -2.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  2  0  0  0  0
  6  3  2  0  0  0  0
  7  2  1  0  0  0  0
  8  4  2  0  0  0  0
  9  3  1  0  0  0  0
 10  4  1  0  0  0  0
 11 13  1  0  0  0  0
 12 11  2  0  0  0  0
 13  9  1  0  0  0  0
 14 10  1  0  0  0  0
 15 10  2  0  0  0  0
 16 11  1  0  0  0  0
 17 15  1  0  0  0  0
 18 14  2  0  0  0  0
 19 17  2  0  0  0  0
 20 19  1  0  0  0  0
  7  8  1  0  0  0  0
  6  5  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (4,794)
4794

>  <Formula> (4,794)
C13H12N4OS2

>  <MolWeight> (4,794)
304.39058

>  <COMPOUND_NAME> (4,794)
WAY-601258

>  <BAR_CODE_NO> (4,794)
90434700

$$$$
WAY-601267
csChFnd80/06171916322D

 32 36  0  0  0  0  0  0  0  0999 V2000
   -1.7208    0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5583    0.9250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2333   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3833    0.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4083   -0.4917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0750    0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5000   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5000   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208   -1.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0500   -0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5375   -0.9042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7417    0.3458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2250    1.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2208    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8708    1.5083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2208   -1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2292   -0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792    0.5208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5042   -2.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9333   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917    1.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9333   -0.9917    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.1917   -1.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3542   -0.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8417   -1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6875   -2.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292    2.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792    1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6458   -1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9000    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542    2.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2375    1.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  2  0  0  0  0
  9  3  1  0  0  0  0
 10 17  1  0  0  0  0
 11 10  1  0  0  0  0
 12  6  1  0  0  0  0
 13  2  1  0  0  0  0
 14  7  1  0  0  0  0
 15  4  2  0  0  0  0
 16  8  1  0  0  0  0
 17 12  1  0  0  0  0
 18 10  2  0  0  0  0
 19 25  1  0  0  0  0
 20 14  1  0  0  0  0
 21 13  1  0  0  0  0
 22 20  1  0  0  0  0
 23 11  1  0  0  0  0
 24 11  1  0  0  0  0
 25 24  1  0  0  0  0
 26 23  1  0  0  0  0
 27 21  2  0  0  0  0
 28 21  1  0  0  0  0
 29 22  1  0  0  0  0
 30 28  2  0  0  0  0
 31 27  1  0  0  0  0
 32 30  1  0  0  0  0
  9  8  1  0  0  0  0
  6  5  2  0  0  0  0
 22 16  1  0  0  0  0
 32 31  2  0  0  0  0
 19 26  1  0  0  0  0
M  END
>  <Mol_ID> (4,795)
4795

>  <Formula> (4,795)
C24H27N3O3S2

>  <MolWeight> (4,795)
469.61948

>  <COMPOUND_NAME> (4,795)
WAY-601267

>  <BAR_CODE_NO> (4,795)
90434709

$$$$
WAY-601269
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -0.9333   -1.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458   -1.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458   -2.1292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4208   -1.7167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5250    0.6333    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.9333   -2.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333    0.3458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167   -0.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8542    0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2792    0.2958    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.4375    1.4583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9958   -0.0917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9417   -0.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4375   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2750   -1.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8875    1.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833   -3.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6958    1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3375    1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5958    2.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9500    2.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4000    2.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6 10  1  0  0  0  0
  7  5  1  0  0  0  0
  8  4  1  0  0  0  0
  9  2  1  0  0  0  0
 10 15  1  0  0  0  0
 11  6  1  0  0  0  0
 12  6  2  0  0  0  0
 13  4  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16  9  2  0  0  0  0
 17  9  1  0  0  0  0
 18  8  1  0  0  0  0
 19  7  1  0  0  0  0
 20 18  2  0  0  0  0
 21 18  1  0  0  0  0
 22 21  2  0  0  0  0
 23 20  1  0  0  0  0
 24 22  1  0  0  0  0
  3  7  2  0  0  0  0
 10 14  2  0  0  0  0
 24 23  2  0  0  0  0
M  END
>  <Mol_ID> (4,796)
4796

>  <Formula> (4,796)
C17H13N3O3S

>  <MolWeight> (4,796)
339.36842

>  <COMPOUND_NAME> (4,796)
WAY-601269

>  <BAR_CODE_NO> (4,796)
90434711

$$$$
WAY-601274
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -0.4958    2.2333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0125    1.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667    1.8208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667    2.6458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0125    2.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708    0.7833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792   -1.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292   -2.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792   -2.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208    2.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292   -0.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6875   -2.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792    0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3875   -1.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7750   -0.7917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9417   -1.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6250   -3.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2375   -3.0667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    2.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    1.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833   -3.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0417   -2.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5583    1.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5583    2.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9708    2.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7 11  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  1  1  0  0  0  0
 11 13  1  0  0  0  0
 12 16  1  0  0  0  0
 13  6  1  0  0  0  0
 14  7  1  0  0  0  0
 15 11  2  0  0  0  0
 16 14  2  0  0  0  0
 17  9  1  0  0  0  0
 18 12  1  0  0  0  0
 19 10  1  0  0  0  0
 20 10  2  0  0  0  0
 21 17  1  0  0  0  0
 22 18  1  0  0  0  0
 23 20  1  0  0  0  0
 24 19  2  0  0  0  0
 25 23  2  0  0  0  0
  4  3  1  0  0  0  0
 25 24  1  0  0  0  0
 12  9  2  0  0  0  0
M  END
>  <Mol_ID> (4,797)
4797

>  <Formula> (4,797)
C17H16N4O3S

>  <MolWeight> (4,797)
356.39894

>  <COMPOUND_NAME> (4,797)
WAY-601274

>  <BAR_CODE_NO> (4,797)
90434716

$$$$
WAY-601280
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -1.4333   -0.7000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208   -0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208    0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1458   -0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333    0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1458    0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4250   -0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1417   -0.2875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125   -0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1875   -1.4875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6750   -1.4875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5667    0.5375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333    1.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125    0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4250   -1.5250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8542   -0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1417    0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5667   -0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8542    0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8583    0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8583   -0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2792    0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5750    0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5750   -0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  6  1  0  0  0  0
  6  4  2  0  0  0  0
  7 10  1  0  0  0  0
  8  7  1  0  0  0  0
  9  2  1  0  0  0  0
 10  9  2  0  0  0  0
 11  1  2  0  0  0  0
 12  1  2  0  0  0  0
 13  3  1  0  0  0  0
 14 21  1  0  0  0  0
 15  5  2  0  0  0  0
 16 10  1  0  0  0  0
 17  7  2  0  0  0  0
 18  8  1  0  0  0  0
 19  8  1  0  0  0  0
 20 18  1  0  0  0  0
 21 19  1  0  0  0  0
 22  6  1  0  0  0  0
 23  4  1  0  0  0  0
 24 14  1  0  0  0  0
 25 26  1  0  0  0  0
 26 23  2  0  0  0  0
  5  3  1  0  0  0  0
 25 22  2  0  0  0  0
 13 16  2  0  0  0  0
 14 20  1  0  0  0  0
M  END
>  <Mol_ID> (4,798)
4798

>  <Formula> (4,798)
C19H18N2O4S

>  <MolWeight> (4,798)
370.42222

>  <COMPOUND_NAME> (4,798)
WAY-601280

>  <BAR_CODE_NO> (4,798)
90434722

$$$$
WAY-601307
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.2250   -0.9250    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.7042   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2250    0.4083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5583   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5583    0.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5292   -0.2542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792    1.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4500   -1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0625   -1.7417    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5875   -1.7625    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417   -2.5750    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2750   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2750    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2875    1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708    1.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9875   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9875    0.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1792    2.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5417    2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9875    2.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  1  1  0  0  0  0
  7  2  2  0  0  0  0
  8  3  1  0  0  0  0
  9  1  1  0  0  0  0
 10  6  1  0  0  0  0
 11  6  1  0  0  0  0
 12  6  1  0  0  0  0
 13  4  1  0  0  0  0
 14  5  1  0  0  0  0
 15  8  1  0  0  0  0
 16  8  2  0  0  0  0
 17 13  2  0  0  0  0
 18 17  1  0  0  0  0
 19 16  1  0  0  0  0
 20 15  2  0  0  0  0
 21 19  2  0  0  0  0
  5  3  1  0  0  0  0
 18 14  2  0  0  0  0
 21 20  1  0  0  0  0
M  END
>  <Mol_ID> (4,799)
4799

>  <Formula> (4,799)
C15H10F3NO2

>  <MolWeight> (4,799)
293.2406096

>  <COMPOUND_NAME> (4,799)
WAY-601307

>  <BAR_CODE_NO> (4,799)
90434752

$$$$
WAY-601310
csChFnd80/06171916322D

 15 17  0  0  0  0  0  0  0  0999 V2000
    0.1436    0.4650    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5134    0.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8006    0.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1436    1.2150    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5134   -0.6630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1704    0.4650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8006   -0.6630    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4576    0.4650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4576    1.2150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1436   -1.0380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1704   -1.0380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8244    0.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9256    1.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1436   -1.5990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8244   -0.6630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 15 12  1  0  0  0  0
  9  8  1  0  0  0  0
 10  7  1  0  0  0  0
 15 11  2  0  0  0  0
 14 10  2  0  0  0  0
 13  9  1  0  0  0  0
  6 12  2  0  0  0  0
 11  5  1  0  0  0  0
 10  5  1  0  0  0  0
  9  4  2  0  0  0  0
  3  8  2  0  0  0  0
  7  3  1  0  0  0  0
  6  2  1  0  0  0  0
  5  2  2  0  0  0  0
  4  1  1  0  0  0  0
  3  1  1  0  0  0  0
  2  1  1  0  0  0  0
M  END
>  <Mol_ID> (4,800)
4800

>  <Formula> (4,800)
C11H9N3O

>  <MolWeight> (4,800)
199.20866

>  <COMPOUND_NAME> (4,800)
WAY-601310

>  <BAR_CODE_NO> (4,800)
90434755

$$$$
WAY-601315
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -0.0083   -1.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2625   -1.0125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4750   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2625   -1.8375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2458   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5250    0.5958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2375    0.1833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8333   -1.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4750   -2.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0708   -0.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9292   -0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167    0.0333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4375    1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167   -2.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6208   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6792   -0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8417    0.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1083    1.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6833    1.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5958    2.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3500   -0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042    0.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0208    2.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708    3.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2625    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  9  2  0  0  0  0
  5  8  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  2  0  0  0  0
  8  1  2  0  0  0  0
  9  1  1  0  0  0  0
 10  5  2  0  0  0  0
 11  5  1  0  0  0  0
 12  2  1  0  0  0  0
 13  3  2  0  0  0  0
 14  6  1  0  0  0  0
 15  9  1  0  0  0  0
 16 11  1  0  0  0  0
 17 12  1  0  0  0  0
 18 12  2  0  0  0  0
 19 14  2  0  0  0  0
 20 14  1  0  0  0  0
 21 20  2  0  0  0  0
 22 17  2  0  0  0  0
 23 18  1  0  0  0  0
 24 19  1  0  0  0  0
 25 21  1  0  0  0  0
 26 23  2  0  0  0  0
  2  4  1  0  0  0  0
  7  6  1  0  0  0  0
 26 22  1  0  0  0  0
 25 24  2  0  0  0  0
M  END
>  <Mol_ID> (4,801)
4801

>  <Formula> (4,801)
C21H18N4O

>  <MolWeight> (4,801)
342.39382

>  <COMPOUND_NAME> (4,801)
WAY-601315

>  <BAR_CODE_NO> (4,801)
90434760

$$$$
WAY-601323
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.6500   -0.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708    0.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042   -0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0625    0.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0833   -0.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4917    0.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042   -1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7792   -0.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708    1.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0625    1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9167   -1.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6500    1.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4917   -1.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9167    0.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7958    0.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0833   -1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4917    1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9167    1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7958   -1.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5083   -0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042    1.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5083   -1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  6  2  0  0  0  0
  4  1  2  0  0  0  0
  5  2  1  0  0  0  0
  6  8  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  1  0  0  0  0
  9  2  2  0  0  0  0
 10  4  1  0  0  0  0
 11  7  2  0  0  0  0
 12 10  2  0  0  0  0
 13  7  1  0  0  0  0
 14  3  1  0  0  0  0
 15  5  1  0  0  0  0
 16  5  1  0  0  0  0
 17  6  1  0  0  0  0
 18 21  1  0  0  0  0
 19 16  1  0  0  0  0
 20 15  1  0  0  0  0
 21 17  2  0  0  0  0
 22 19  1  0  0  0  0
  9 12  1  0  0  0  0
 22 20  1  0  0  0  0
 18 14  2  0  0  0  0
M  END
>  <Mol_ID> (4,802)
4802

>  <Formula> (4,802)
C16H18N4O2

>  <MolWeight> (4,802)
298.33972

>  <COMPOUND_NAME> (4,802)
WAY-601323

>  <BAR_CODE_NO> (4,802)
90434768

$$$$
WAY-601385
csChFnd80/06171916322D

 22 25  0  0  0  0  0  0  0  0999 V2000
    0.3375   -0.4292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458   -0.6792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3375    0.3958    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.0542   -0.8417    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.7667   -0.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9333   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458    0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0542    0.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667    0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7583   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0542   -1.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0542    1.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4792    0.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708    0.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708   -0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3375   -2.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667   -2.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667    2.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4792    1.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9958   -0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9958    0.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4083   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  2  2  0  0  0  0
  7  3  1  0  0  0  0
  8  3  1  0  0  0  0
  9  5  1  0  0  0  0
 10  6  1  0  0  0  0
 11  4  1  0  0  0  0
 12  8  1  0  0  0  0
 13  9  1  0  0  0  0
 14 10  1  0  0  0  0
 15 10  2  0  0  0  0
 16 11  1  0  0  0  0
 17 11  1  0  0  0  0
 18 12  2  0  0  0  0
 19 13  2  0  0  0  0
 20 15  1  0  0  0  0
 21 14  2  0  0  0  0
 22 20  2  0  0  0  0
  6  7  1  0  0  0  0
  8  9  2  0  0  0  0
 18 19  1  0  0  0  0
 22 21  1  0  0  0  0
M  END
>  <Mol_ID> (4,803)
4803

>  <Formula> (4,803)
C19H20N2O

>  <MolWeight> (4,803)
292.3749

>  <COMPOUND_NAME> (4,803)
WAY-601385

>  <BAR_CODE_NO> (4,803)
90434832

$$$$
WAY-601397
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -1.1000   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9250   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6875    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1375    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6875   -0.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4083    0.4083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5500   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4083   -0.9292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1375   -0.9750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5500    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7875    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3750   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1958    0.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1958   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6125    0.4583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3750    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8500   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1000    1.1708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0250   -0.2542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2625    0.4583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1000   -1.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2625   -0.9750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7875    1.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9083    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9083   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6125   -0.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0875   -0.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3750    2.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6208    0.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6208   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  1  2  0  0  0  0
  6  2  2  0  0  0  0
  7  9  1  0  0  0  0
  8  2  1  0  0  0  0
  9  5  1  0  0  0  0
 10  4  2  0  0  0  0
 11 12  1  0  0  0  0
 12  7  2  0  0  0  0
 13  6  1  0  0  0  0
 14  8  1  0  0  0  0
 15 11  1  0  0  0  0
 16 10  1  0  0  0  0
 17 19  1  0  0  0  0
 18  3  2  0  0  0  0
 19 15  1  0  0  0  0
 20 17  2  0  0  0  0
 21  5  1  0  0  0  0
 22 17  1  0  0  0  0
 23 16  1  0  0  0  0
 24 13  1  0  0  0  0
 25 14  1  0  0  0  0
 26 19  1  0  0  0  0
 27 22  1  0  0  0  0
 28 23  1  0  0  0  0
 29 24  2  0  0  0  0
 30 25  2  0  0  0  0
  7  4  1  0  0  0  0
 14 13  2  0  0  0  0
 11 16  2  0  0  0  0
 30 29  1  0  0  0  0
M  END
>  <Mol_ID> (4,804)
4804

>  <Formula> (4,804)
C23H21NO5S

>  <MolWeight> (4,804)
423.48154

>  <COMPOUND_NAME> (4,804)
WAY-601397

>  <BAR_CODE_NO> (4,804)
90434844

$$$$
WAY-601411
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
    0.9792    2.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917    2.6708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4625    3.0833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792    3.7458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917    3.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6375   -1.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0875   -1.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208   -3.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2292    1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083   -3.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708   -2.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792   -0.3792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3417   -2.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208   -1.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792    1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9375    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4417   -1.3417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4500    2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5708   -3.6167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417   -3.9667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0833   -2.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4500    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0417    1.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2917    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7417    0.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3750   -3.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3333   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542   -4.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2583    2.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2583    3.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6125    3.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6 12  1  0  0  0  0
  7  6  1  0  0  0  0
  8 11  1  0  0  0  0
  9  1  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 16  1  0  0  0  0
 13  7  2  0  0  0  0
 14  7  1  0  0  0  0
 15  9  1  0  0  0  0
 16 15  2  0  0  0  0
 17  6  2  0  0  0  0
 18  2  1  0  0  0  0
 19  8  1  0  0  0  0
 20 10  1  0  0  0  0
 21 11  1  0  0  0  0
 22  5  1  0  0  0  0
 23  9  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 26 19  1  0  0  0  0
 27 21  1  0  0  0  0
 28 20  1  0  0  0  0
 29 18  1  0  0  0  0
 30 22  1  0  0  0  0
 31 29  1  0  0  0  0
  5  4  2  0  0  0  0
 25 16  1  0  0  0  0
 31 30  1  0  0  0  0
  8 10  2  0  0  0  0
M  END
>  <Mol_ID> (4,805)
4805

>  <Formula> (4,805)
C23H26N4O4

>  <MolWeight> (4,805)
422.47694

>  <COMPOUND_NAME> (4,805)
WAY-601411

>  <BAR_CODE_NO> (4,805)
90434861

$$$$
WAY-600672
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -0.3958    0.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958    1.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167    0.3958    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.0292    1.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167    2.0458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292    0.8083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083    0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167   -0.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7500    2.0458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083   -0.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958   -0.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292   -0.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083    2.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167   -2.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292   -1.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958   -1.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167   -2.9042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8250    0.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8250    1.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292   -3.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  6  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8  3  1  0  0  0  0
  9  4  2  0  0  0  0
 10  7  2  0  0  0  0
 11  8  2  0  0  0  0
 12  8  1  0  0  0  0
 13  2  1  0  0  0  0
 14 15  1  0  0  0  0
 15 12  2  0  0  0  0
 16 11  1  0  0  0  0
 17 14  1  0  0  0  0
 18  7  1  0  0  0  0
 19 18  1  0  0  0  0
 20 17  1  0  0  0  0
  5  4  1  0  0  0  0
 13 19  1  0  0  0  0
 14 16  2  0  0  0  0
M  END
>  <Mol_ID> (4,806)
4806

>  <Formula> (4,806)
C15H16N2O3

>  <MolWeight> (4,806)
272.29914

>  <COMPOUND_NAME> (4,806)
WAY-600672

>  <BAR_CODE_NO> (4,806)
90434067

$$$$
WAY-600674
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.1375    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5750    0.4125    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.1375    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583   -2.0625    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.2917    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5750    2.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5750   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1375   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1375   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5708   -1.6500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.8583   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5708    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5750   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5708    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8  2  1  0  0  0  0
  9  1  1  0  0  0  0
 10 11  2  0  0  0  0
 11  8  1  0  0  0  0
 12  4  1  0  0  0  0
 13  4  2  0  0  0  0
 14  5  2  0  0  0  0
 15  9  2  0  0  0  0
 16  3  1  0  0  0  0
 17  8  2  0  0  0  0
 18  9  1  0  0  0  0
 19 21  2  0  0  0  0
 20 18  1  0  0  0  0
 21 17  1  0  0  0  0
  5  7  1  0  0  0  0
 16 20  1  0  0  0  0
 19 10  1  0  0  0  0
M  END
>  <Mol_ID> (4,807)
4807

>  <Formula> (4,807)
C14H13N3O4

>  <MolWeight> (4,807)
287.27072

>  <COMPOUND_NAME> (4,807)
WAY-600674

>  <BAR_CODE_NO> (4,807)
90434069

$$$$
WAY-600676
csChFnd80/06171916322D

 19 22  0  0  0  0  0  0  0  0999 V2000
    0.8418    0.1081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2272    0.7081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8418   -1.1401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9176    0.7081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3065    0.1081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2272    1.9564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2272   -1.7643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9176   -1.7643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9176    1.9564    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9866    0.1081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3065   -1.1401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3582    0.7081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8418    2.5736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2272   -3.0022    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9866   -1.1401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3582   -1.7643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4272    0.1081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8418    3.8116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4272   -1.1401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  2  0  0  0  0
  8 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 17  2  0  0  0  0
 13 18  2  0  0  0  0
 16 19  2  0  0  0  0
  7 11  1  0  0  0  0
  9 13  1  0  0  0  0
 10 15  1  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (4,808)
4808

>  <Formula> (4,808)
C16H9NO2

>  <MolWeight> (4,808)
247.24816

>  <COMPOUND_NAME> (4,808)
WAY-600676

>  <BAR_CODE_NO> (4,808)
90611007

$$$$
WAY-600683
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -0.9073   -0.6434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3728    0.1428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0004   -0.6434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3728   -1.4503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2832    0.1428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9073    0.9359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4444    0.1428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4651   -1.4503    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2728   -1.4606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7383   -0.6434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0107    0.9463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3755    0.1428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7176   -2.2675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6590   -0.6330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8306    0.9359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9858   -0.5192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6487   -2.2985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3521   -0.0537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7203    0.7497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8134   -0.1572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0832   -3.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4237    1.3497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2582    2.2394    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2720    1.0394    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9410    2.8290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7961    3.7187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
  7 11  2  0  0  0  0
  9 10  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (4,809)
4809

>  <Formula> (4,809)
C20H20O6

>  <MolWeight> (4,809)
356.3692

>  <COMPOUND_NAME> (4,809)
WAY-600683

>  <BAR_CODE_NO> (4,809)
90434079

$$$$
WAY-600686
csChFnd80/06171916322D

 21 24  0  0  0  0  0  0  0  0999 V2000
    1.0167   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042   -0.4292    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.7292   -0.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0167   -1.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292   -1.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042   -1.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0167    0.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1250   -0.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0167   -2.4917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458    0.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6250   -0.2667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6250    1.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1083    0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042    1.2208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1250    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417    0.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  5  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  2  1  0  0  0  0
  8  1  1  0  0  0  0
  9 10  1  0  0  0  0
 10  7  2  0  0  0  0
 11  4  2  0  0  0  0
 12 18  1  0  0  0  0
 13  9  1  0  0  0  0
 14 12  1  0  0  0  0
 15 13  1  0  0  0  0
 16  7  1  0  0  0  0
 17  8  2  0  0  0  0
 18 16  2  0  0  0  0
 19  3  1  0  0  0  0
 20  8  1  0  0  0  0
 21 20  1  0  0  0  0
  4  6  1  0  0  0  0
 19 21  1  0  0  0  0
 12  9  2  0  0  0  0
 15 14  1  0  0  0  0
M  END
>  <Mol_ID> (4,810)
4810

>  <Formula> (4,810)
C15H14N2O3S

>  <MolWeight> (4,810)
302.34826

>  <COMPOUND_NAME> (4,810)
WAY-600686

>  <BAR_CODE_NO> (4,810)
90434082

$$$$
WAY-600689
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -0.3458    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3458    1.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750    0.2208    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.0875    1.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750    1.8708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0875    0.6333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0583    0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042    1.8708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0583   -0.6042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3458   -1.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0875   -1.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0583    1.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750   -2.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0875   -1.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3458   -1.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750   -3.0792    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.7708    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7708    1.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  6  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8  3  1  0  0  0  0
  9  4  2  0  0  0  0
 10  7  2  0  0  0  0
 11  8  2  0  0  0  0
 12  8  1  0  0  0  0
 13  2  1  0  0  0  0
 14 15  1  0  0  0  0
 15 12  2  0  0  0  0
 16 11  1  0  0  0  0
 17 14  1  0  0  0  0
 18  7  1  0  0  0  0
 19 18  1  0  0  0  0
  5  4  1  0  0  0  0
 13 19  1  0  0  0  0
 14 16  2  0  0  0  0
M  END
>  <Mol_ID> (4,811)
4811

>  <Formula> (4,811)
C14H13ClN2O2

>  <MolWeight> (4,811)
276.71822

>  <COMPOUND_NAME> (4,811)
WAY-600689

>  <BAR_CODE_NO> (4,811)
90434085

$$$$
WAY-600704-A
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.5756    0.0318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0664   -0.3552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7325    0.0318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1366   -0.4572    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7325    0.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0664    1.1628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5756    0.7788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3774   -0.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3774    1.1628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0165    0.0318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0165    0.7788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7246    0.0108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1366   -1.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7124   -0.3252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0664    1.9338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3515    0.0798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7246   -1.6572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4356   -0.1482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7716   -0.7932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4356   -1.5072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  6  7  1  0  0  0  0
  1  7  2  0  0  0  0
  8  3  1  0  0  0  0
  9  5  1  0  0  0  0
 10  8  2  0  0  0  0
  9 11  2  0  0  0  0
 12  4  1  0  0  0  0
 13  4  1  0  0  0  0
 14 10  1  0  0  0  0
 15  6  1  0  0  0  0
 16 14  1  0  0  0  0
 17 13  1  0  0  0  0
 18 12  1  0  0  0  0
 19 18  1  0  0  0  0
 20 17  1  0  0  0  0
  6  5  2  0  0  0  0
 20 19  1  0  0  0  0
 11 10  1  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
M  END
>  <Mol_ID> (4,812)
4812

>  <Formula> (4,812)
C17H22N2O

>  <MolWeight> (4,812)
270.36938

>  <COMPOUND_NAME> (4,812)
WAY-600704

>  <BAR_CODE_NO> (4,812)
90434102

$$$$
WAY-600710
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.1958    1.8958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2917    1.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0750    1.4833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0750    2.3083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2917    2.5583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292    0.4458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792   -1.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292   -0.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5875   -0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292   -2.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4750   -1.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833   -2.5292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6917   -1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333    2.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1792   -2.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333   -3.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2417   -2.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2583    2.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2583    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9875   -2.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6708    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  8  1  0  0  0  0
  8 10  1  0  0  0  0
  9  1  1  0  0  0  0
 10  6  1  0  0  0  0
 11  7  2  0  0  0  0
 12  8  2  0  0  0  0
 13 11  1  0  0  0  0
 14  7  1  0  0  0  0
 15  9  1  0  0  0  0
 16  9  2  0  0  0  0
 17 11  1  0  0  0  0
 18 13  1  0  0  0  0
 19 14  2  0  0  0  0
 20 15  2  0  0  0  0
 21 16  1  0  0  0  0
 22 19  1  0  0  0  0
 23 21  2  0  0  0  0
  4  3  1  0  0  0  0
 23 20  1  0  0  0  0
 22 17  2  0  0  0  0
M  END
>  <Mol_ID> (4,813)
4813

>  <Formula> (4,813)
C16H14N4O2S

>  <MolWeight> (4,813)
326.37296

>  <COMPOUND_NAME> (4,813)
WAY-600710

>  <BAR_CODE_NO> (4,813)
90434108

$$$$
WAY-600713
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
    0.1917   -0.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5238   -0.6275    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1926    0.6102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042   -0.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917   -1.8667    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.2383   -0.2113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5199    1.0227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2354    0.6119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7625   -2.2792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6167   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6167   -1.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0500   -1.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5250   -1.4542    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.6123    1.3269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917   -2.6917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9538   -0.6221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3292   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3292   -0.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5211    1.8532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9520    1.0316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9547   -1.4491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6663   -0.2096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9491    1.8549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2336    2.2657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3818   -0.6204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6701   -1.8599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3847   -1.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  2  2  0  0  0  0
  8  3  1  0  0  0  0
  9  8  2  0  0  0  0
 10 13  3  0  0  0  0
 11  5  1  0  0  0  0
 12  4  1  0  0  0  0
 13 18  1  0  0  0  0
 14  6  1  0  0  0  0
 15  3  2  0  0  0  0
 16  6  2  0  0  0  0
 17  7  1  0  0  0  0
 18 19  1  0  0  0  0
 19 11  2  0  0  0  0
 20  8  1  0  0  0  0
 21  9  1  0  0  0  0
 22 17  1  0  0  0  0
 23 17  2  0  0  0  0
 24 25  1  0  0  0  0
 25 20  2  0  0  0  0
 26 23  1  0  0  0  0
 27 22  2  0  0  0  0
 28 26  2  0  0  0  0
  9  7  1  0  0  0  0
 18 12  2  0  0  0  0
 24 21  2  0  0  0  0
 28 27  1  0  0  0  0
M  END
>  <Mol_ID> (4,814)
4814

>  <Formula> (4,814)
C21H12N4O3

>  <MolWeight> (4,814)
368.34498

>  <COMPOUND_NAME> (4,814)
WAY-600713

>  <BAR_CODE_NO> (4,814)
90434111

$$$$
WAY-600750
csChFnd80/06171916322D

 17 19  0  0  0  0  0  0  0  0999 V2000
    0.0479    0.2412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0479   -0.2726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8487    0.2412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4996    0.4929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3970   -0.5278    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4996   -0.5278    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8487   -0.2726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2970    0.4929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9444    0.2412    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4996    1.0308    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9444   -0.2726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2970   -0.5278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7418    0.2412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4099    0.4998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4099   -0.5347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7418   -0.2726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8686   -0.2726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 15 17  1  0  0  0  0
  5  7  1  0  0  0  0
  9 11  1  0  0  0  0
 13 16  1  0  0  0  0
M  END
>  <Mol_ID> (4,815)
4815

>  <Formula> (4,815)
C12H15N3OS

>  <MolWeight> (4,815)
249.332

>  <COMPOUND_NAME> (4,815)
WAY-600750

>  <BAR_CODE_NO> (4,815)
90434150

$$$$
WAY-600755
csChFnd80/06171916322D

 23 26  0  0  0  0  0  0  0  0999 V2000
    0.6792    0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458    0.3958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333    0.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792   -0.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458    2.0458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333    1.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3917   -0.8417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4625    0.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4625    1.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333   -0.8417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1042   -2.9042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3917   -1.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3917    0.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792    2.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1042   -2.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3917    1.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3917   -3.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1750    0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1750    2.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792   -2.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792   -2.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8958    1.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8958    0.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  6  1  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8  2  2  0  0  0  0
  9  5  2  0  0  0  0
 10  4  2  0  0  0  0
 11 15  1  0  0  0  0
 12  7  1  0  0  0  0
 13  1  1  0  0  0  0
 14 16  1  0  0  0  0
 15 12  2  0  0  0  0
 16 13  2  0  0  0  0
 17 21  1  0  0  0  0
 18  8  1  0  0  0  0
 19  9  1  0  0  0  0
 20 12  1  0  0  0  0
 21 20  2  0  0  0  0
 22 19  2  0  0  0  0
 23 18  2  0  0  0  0
 14  6  2  0  0  0  0
  8  9  1  0  0  0  0
 23 22  1  0  0  0  0
 17 11  2  0  0  0  0
M  END
>  <Mol_ID> (4,816)
4816

>  <Formula> (4,816)
C18H12N4O

>  <MolWeight> (4,816)
300.31408

>  <COMPOUND_NAME> (4,816)
WAY-600755

>  <BAR_CODE_NO> (4,816)
90434155

$$$$
WAY-600761
csChFnd80/06171916322D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -0.1708   -0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208    0.0958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4708    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9583    1.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4250   -1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6375   -0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2333   -1.4667    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.8917    0.4458    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.3167    1.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292   -1.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4708    2.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1250   -1.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1875   -0.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167    1.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  1  0  0  0  0
  7  5  1  0  0  0  0
  8  6  1  0  0  0  0
  9  3  1  0  0  0  0
 10 13  1  0  0  0  0
 11  4  1  0  0  0  0
 12  5  1  0  0  0  0
 13  6  2  0  0  0  0
 14  9  1  0  0  0  0
 10 12  2  0  0  0  0
 11 14  1  0  0  0  0
M  END
>  <Mol_ID> (4,817)
4817

>  <Formula> (4,817)
C10H10Cl2N2

>  <MolWeight> (4,817)
229.1058

>  <COMPOUND_NAME> (4,817)
WAY-600761

>  <BAR_CODE_NO> (4,817)
90434162

$$$$
WAY-600775
csChFnd80/06171916322D

 33 37  0  0  0  0  0  0  0  0999 V2000
   -0.4708   -0.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2500    0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833   -0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9625    1.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2500   -0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4708   -1.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4708    1.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4708    1.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833   -1.8625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8958   -0.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9625    1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9625   -0.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8958   -1.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2500    2.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9625   -1.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6792   -1.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6792   -0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583   -2.1667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2958    1.0250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6792    0.6125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833    0.6125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3917   -1.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2500   -1.8625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3917   -0.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6792    2.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6083   -0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1042   -1.8625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2500    3.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6083   -1.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3250   -0.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6792    3.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3250   -1.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9625    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  2  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  6  1  0  0  0  0
 10  3  1  0  0  0  0
 11  4  1  0  0  0  0
 12  5  1  0  0  0  0
 13  9  1  0  0  0  0
 14  8  1  0  0  0  0
 15 12  2  0  0  0  0
 16 15  1  0  0  0  0
 17 12  1  0  0  0  0
 18  6  2  0  0  0  0
 19  7  2  0  0  0  0
 20  4  1  0  0  0  0
 21  3  1  0  0  0  0
 22 24  1  0  0  0  0
 23 15  1  0  0  0  0
 24 17  2  0  0  0  0
 25 11  1  0  0  0  0
 26 10  1  0  0  0  0
 27 22  1  0  0  0  0
 28 14  1  0  0  0  0
 29 13  1  0  0  0  0
 30 26  2  0  0  0  0
 31 25  2  0  0  0  0
 32 29  2  0  0  0  0
 33 28  2  0  0  0  0
 13 10  2  0  0  0  0
 32 30  1  0  0  0  0
 22 16  2  0  0  0  0
 14 11  2  0  0  0  0
 33 31  1  0  0  0  0
M  END
>  <Mol_ID> (4,818)
4818

>  <Formula> (4,818)
C25H16O8

>  <MolWeight> (4,818)
444.38974

>  <COMPOUND_NAME> (4,818)
WAY-600775

>  <BAR_CODE_NO> (4,818)
90434178

$$$$
WAY-600794
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.1667   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667   -1.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458    0.0833    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.8875    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2583   -1.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458   -1.5667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2583   -0.3292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458    0.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8875   -1.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000   -1.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8875    0.9083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2583    1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9708   -1.5667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9708    0.9083    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.1667    1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1625   -1.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4042   -1.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2583    2.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667    2.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458    2.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  7  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  3  1  0  0  0  0
  9  2  1  0  0  0  0
 10 11  1  0  0  0  0
 11  4  1  0  0  0  0
 12  4  2  0  0  0  0
 13  8  2  0  0  0  0
 14  5  2  0  0  0  0
 15 13  1  0  0  0  0
 16  8  1  0  0  0  0
 17 10  1  0  0  0  0
 18 10  1  0  0  0  0
 19 13  1  0  0  0  0
 20 16  2  0  0  0  0
 21 20  1  0  0  0  0
  5  6  1  0  0  0  0
 10  9  1  0  0  0  0
 21 19  2  0  0  0  0
M  END
>  <Mol_ID> (4,819)
4819

>  <Formula> (4,819)
C16H17ClN2O2

>  <MolWeight> (4,819)
304.77138

>  <COMPOUND_NAME> (4,819)
WAY-600794

>  <BAR_CODE_NO> (4,819)
90434197

$$$$
WAY-600820
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -2.9157    0.0277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9157    0.8898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1295   -0.2447    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6467   -0.4033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1295    1.1277    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6467    1.2829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6329    0.4588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3777    0.0277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3777    0.8519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7708    0.4588    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3536   -0.2860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5085   -0.2860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7708   -0.9757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292    0.4588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292   -0.9757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7637    0.4588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7637   -0.9757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1809   -0.2860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0430   -0.2860    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.8671   -0.2860    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0430    0.5760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0430   -1.0964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2843    0.4588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3119   -0.9757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  6  9  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 19 22  2  0  0  0  0
 20 23  1  0  0  0  0
 20 24  1  0  0  0  0
  5  7  2  0  0  0  0
  8  9  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (4,820)
4820

>  <Formula> (4,820)
C16H16N4O3S

>  <MolWeight> (4,820)
344.38824

>  <COMPOUND_NAME> (4,820)
WAY-600820

>  <BAR_CODE_NO> (4,820)
90434224

$$$$
WAY-600868
csChFnd80/06171916322D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -2.3582   -0.4718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3582    0.4937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5410   -0.9546    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1755   -0.9546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7237    0.4937    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1755    0.9765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7237   -0.4718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9927   -0.4718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9927    0.4937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3901   -0.4718    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0211   -0.4718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0211    0.4937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8383   -0.9546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8383    0.9765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6556   -0.4718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6556    0.4937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6211    1.2730    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  6  9  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
  5  7  1  0  0  0  0
  8  9  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <Mol_ID> (4,821)
4821

>  <Formula> (4,821)
C13H9FN2S

>  <MolWeight> (4,821)
244.2873632

>  <COMPOUND_NAME> (4,821)
WAY-600868

>  <BAR_CODE_NO> (4,821)
90434274

$$$$
WAY-600945-A
csChFnd80/06171916322D

 24 27  0  0  0  0  0  0  0  0999 V2000
    4.6042    1.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1250    0.6333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3917    1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6042   -0.0292    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.3917    0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0542    1.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0542    2.3583    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.3542   -0.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8417    1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8417    2.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3292    1.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5417   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9042   -1.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8417   -2.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2917   -1.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6500   -2.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5875   -3.1750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875   -0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875    1.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1417   -3.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625    1.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  3  1  0  0  0  0
  7  6  1  0  0  0  0
  8  4  1  0  0  0  0
  9  2  1  0  0  0  0
 10  6  2  0  0  0  0
 11  7  1  0  0  0  0
 12 10  1  0  0  0  0
 13  8  2  0  0  0  0
 14  8  1  0  0  0  0
 15 17  1  0  0  0  0
 16 13  1  0  0  0  0
 17 14  2  0  0  0  0
 18 15  1  0  0  0  0
 19  9  2  0  0  0  0
 20  9  1  0  0  0  0
 21 18  1  0  0  0  0
 22 20  2  0  0  0  0
 23 19  1  0  0  0  0
 24 23  2  0  0  0  0
  5  4  1  0  0  0  0
 11 12  2  0  0  0  0
 22 24  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <Mol_ID> (4,822)
4822

>  <Formula> (4,822)
C20H18N2OS

>  <MolWeight> (4,822)
334.43472

>  <COMPOUND_NAME> (4,822)
WAY-600945

>  <BAR_CODE_NO> (4,822)
90434355

$$$$
WAY-600952
csChFnd80/06171916322D

 24 27  0  0  0  0  0  0  0  0999 V2000
    1.0477   -2.0842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9546   -1.5187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0477   -3.1601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0925   -1.5187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9891   -0.4463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8753   -2.0842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9546   -3.7049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0925   -3.7049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8281   -2.0842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0822    0.1365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8753   -3.1911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8281   -3.1911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167    1.2296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1960    1.7744    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0719    1.7399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7592    1.2606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2305    2.8675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6833    1.8089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6902    3.4468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6488    2.9365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6040    1.2606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5695    3.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5247    1.8089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4902    2.9365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  8 12  2  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 19 20  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (4,823)
4823

>  <Formula> (4,823)
C21H19NO2

>  <MolWeight> (4,823)
317.38106

>  <COMPOUND_NAME> (4,823)
WAY-600952

>  <BAR_CODE_NO> (4,823)
90434363

$$$$
WAY-600964
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.1042   -0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042   -1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6125   -0.0292    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.8167   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3250   -1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6125   -1.6875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3250   -0.4500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167   -1.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5292   -1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5292   -0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6125    0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167    0.7875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0458   -1.6875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042    1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3250    1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6125    2.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3250    2.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042    2.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6125    3.2708    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3375   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0917   -1.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  7  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  2  1  0  0  0  0
  9 10  1  0  0  0  0
 10  4  1  0  0  0  0
 11  3  1  0  0  0  0
 12  4  2  0  0  0  0
 13  5  2  0  0  0  0
 14 11  1  0  0  0  0
 15 11  2  0  0  0  0
 16 17  2  0  0  0  0
 17 15  1  0  0  0  0
 18 14  2  0  0  0  0
 19 16  1  0  0  0  0
 20  9  1  0  0  0  0
 21  9  1  0  0  0  0
  5  6  1  0  0  0  0
  9  8  1  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (4,824)
4824

>  <Formula> (4,824)
C16H17ClN2O2

>  <MolWeight> (4,824)
304.77138

>  <COMPOUND_NAME> (4,824)
WAY-600964

>  <BAR_CODE_NO> (4,824)
90434375

$$$$
WAY-600965
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -0.3708   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917   -0.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4375   -0.1792    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.7375   -1.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6208   -1.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208    0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708   -1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6917    0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8000   -0.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708    1.0458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6042   -0.4500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042    1.2708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7250    0.0875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792    0.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2875   -2.1917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6917    1.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792    1.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208    1.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333   -1.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292   -2.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0250    1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9625    2.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5792   -3.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292   -4.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5125    3.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5750    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3208    2.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  7  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  1  0  0  0  0
  7  5  1  0  0  0  0
  8  3  1  0  0  0  0
  9  2  1  0  0  0  0
 10  6  1  0  0  0  0
 11  9  3  0  0  0  0
 12  8  1  0  0  0  0
 13  6  2  0  0  0  0
 14  8  2  0  0  0  0
 15  4  1  0  0  0  0
 16 12  1  0  0  0  0
 17 14  1  0  0  0  0
 18 10  1  0  0  0  0
 19  5  1  0  0  0  0
 20 15  1  0  0  0  0
 21 18  2  0  0  0  0
 22 18  1  0  0  0  0
 23 20  1  0  0  0  0
 24 23  1  0  0  0  0
 25 22  2  0  0  0  0
 26 21  1  0  0  0  0
 27 25  1  0  0  0  0
  2  4  2  0  0  0  0
 16 17  2  0  0  0  0
 27 26  2  0  0  0  0
M  END
>  <Mol_ID> (4,825)
4825

>  <Formula> (4,825)
C21H21N3O2S

>  <MolWeight> (4,825)
379.47534

>  <COMPOUND_NAME> (4,825)
WAY-600965

>  <BAR_CODE_NO> (4,825)
90434376

$$$$
WAY-601014
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.3542   -0.1542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542    0.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583    1.0750    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.3542   -0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4708   -0.1542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1792   -0.1542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583    1.9000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.0667   -1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583   -1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667    1.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542   -2.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583   -2.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667   -2.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542   -3.4625    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.0750    0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667    1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542    2.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0750    2.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7875    1.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7875    1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  2  0  0  0  0
  7  3  1  0  0  0  0
  8  4  1  0  0  0  0
  9  4  2  0  0  0  0
 10  2  1  0  0  0  0
 11 12  2  0  0  0  0
 12  9  1  0  0  0  0
 13  8  2  0  0  0  0
 14 11  1  0  0  0  0
 15  3  1  0  0  0  0
 16 10  1  0  0  0  0
 17 16  1  0  0  0  0
 18  7  1  0  0  0  0
 19 15  1  0  0  0  0
 20 19  1  0  0  0  0
 13 11  1  0  0  0  0
 17  7  1  0  0  0  0
 20 18  1  0  0  0  0
M  END
>  <Mol_ID> (4,826)
4826

>  <Formula> (4,826)
C15H20ClNO2S

>  <MolWeight> (4,826)
313.8428

>  <COMPOUND_NAME> (4,826)
WAY-601014

>  <BAR_CODE_NO> (4,826)
90434432

$$$$
WAY-601017
csChFnd80/06171916322D

 35 39  0  0  0  0  0  0  0  0999 V2000
   -0.3035   -0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3035   -0.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2861    0.2241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8967    0.2241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8967   -1.1241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2861   -1.1345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2861    0.9138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4863   -0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4863   -0.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2861   -1.8138    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8654    1.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2035    1.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0553    0.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0553   -1.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2861   -2.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3863   -1.8138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9758   -1.8138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7137    1.8966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4861    0.9862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0654    1.9759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8967    1.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6449   -0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6449   -0.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8654   -2.8241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3035   -2.8241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1654    2.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2449    2.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8654   -3.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3035   -3.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8240    2.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9344    3.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2861   -3.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2447    2.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3654    3.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0240    3.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  2  0  0  0  0
 10 17  2  0  0  0  0
 11 18  1  0  0  0  0
 11 19  2  0  0  0  0
 12 20  1  0  0  0  0
 12 21  1  0  0  0  0
 13 22  2  0  0  0  0
 14 23  2  0  0  0  0
 15 24  2  0  0  0  0
 15 25  1  0  0  0  0
 18 26  1  0  0  0  0
 20 27  1  0  0  0  0
 24 28  1  0  0  0  0
 25 29  2  0  0  0  0
 26 30  2  0  0  0  0
 26 31  1  0  0  0  0
 28 32  2  0  0  0  0
 30 33  1  0  0  0  0
 31 34  2  0  0  0  0
 33 35  2  0  0  0  0
  8  9  2  0  0  0  0
 18 20  1  0  0  0  0
 22 23  1  0  0  0  0
 29 32  1  0  0  0  0
 34 35  1  0  0  0  0
M  END
>  <Mol_ID> (4,827)
4827

>  <Formula> (4,827)
C25H22N6O3S

>  <MolWeight> (4,827)
486.54558

>  <COMPOUND_NAME> (4,827)
WAY-601017

>  <BAR_CODE_NO> (4,827)
90434436

$$$$
WAY-601035
csChFnd80/06171916322D

 18 20  0  0  0  0  0  0  0  0999 V2000
    2.2542    0.6083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6750   -0.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667   -0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167   -0.7250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4917   -0.1917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0625   -0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417    0.9833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2083    0.8500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4958   -0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4958    0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7750   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7750    0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0625    0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9208    0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2083   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9208   -0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  2  0  0  0  0
  7  2  2  0  0  0  0
  8  6  1  0  0  0  0
  9  4  2  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13  8  2  0  0  0  0
 14 15  2  0  0  0  0
 15  8  1  0  0  0  0
 16 10  2  0  0  0  0
 17 11  1  0  0  0  0
 18 17  2  0  0  0  0
  5  3  1  0  0  0  0
 12 11  2  0  0  0  0
 18 16  1  0  0  0  0
M  END
>  <Mol_ID> (4,828)
4828

>  <Formula> (4,828)
C13H9N3OS

>  <MolWeight> (4,828)
255.29506

>  <COMPOUND_NAME> (4,828)
WAY-601035

>  <BAR_CODE_NO> (4,828)
90434458

$$$$
WAY-601037-A
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
    3.9000   -1.1292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1125   -1.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1125   -2.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3792   -1.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9000   -2.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1542   -0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3042    1.6708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6000    0.2708    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4000   -0.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -2.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2042   -1.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2292   -3.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7917    0.0958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0042    3.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8542    1.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5542    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2625    3.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917    2.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6792   -1.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6792   -2.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0542   -3.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5375   -2.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    3.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7042    4.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9042    4.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  1  1  0  0  0  0
  7 15  1  0  0  0  0
  8  6  1  0  0  0  0
  9  2  1  0  0  0  0
 10  3  1  0  0  0  0
 11  4  1  0  0  0  0
 12  5  1  0  0  0  0
 13  8  1  0  0  0  0
 14 16  1  0  0  0  0
 15  8  1  0  0  0  0
 16  7  1  0  0  0  0
 17 14  1  0  0  0  0
 18 14  2  0  0  0  0
 19  9  1  0  0  0  0
 20 19  1  0  0  0  0
 21 22  1  0  0  0  0
 22 11  2  0  0  0  0
 23 18  1  0  0  0  0
 24 17  2  0  0  0  0
 25 24  1  0  0  0  0
  5  3  1  0  0  0  0
 21 12  2  0  0  0  0
 20 10  1  0  0  0  0
 23 25  2  0  0  0  0
M  END
>  <Mol_ID> (4,829)
4829

>  <Formula> (4,829)
C22H26N2O

>  <MolWeight> (4,829)
334.45464

>  <COMPOUND_NAME> (4,829)
WAY-601037

>  <BAR_CODE_NO> (4,829)
90434460

$$$$
WAY-601083
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
    0.6667    0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583    0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458    0.5208    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.6667    1.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583    1.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458    2.1708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3875   -1.9542    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.4542    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4708    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9417    1.3458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6667   -1.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6667   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3875   -2.7792    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.1000   -1.5417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7125   -0.1042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1875    0.9333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4708   -0.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4708    2.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458   -1.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583   -1.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1875   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1875   -1.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  6  1  0  0  0  0
  6  4  1  0  0  0  0
  7 12  1  0  0  0  0
  8  1  1  0  0  0  0
  9  3  1  0  0  0  0
 10  2  1  0  0  0  0
 11  8  1  0  0  0  0
 12 13  1  0  0  0  0
 13  9  2  0  0  0  0
 14  4  1  0  0  0  0
 15  7  1  0  0  0  0
 16  7  2  0  0  0  0
 17  8  2  0  0  0  0
 18 10  2  0  0  0  0
 19 10  1  0  0  0  0
 20  5  1  0  0  0  0
 21  9  1  0  0  0  0
 22 23  1  0  0  0  0
 23 21  2  0  0  0  0
 24 19  1  0  0  0  0
 25 24  1  0  0  0  0
 14 11  1  0  0  0  0
  5  2  2  0  0  0  0
 22 12  2  0  0  0  0
M  END
>  <Mol_ID> (4,830)
4830

>  <Formula> (4,830)
C17H16N2O6

>  <MolWeight> (4,830)
344.31874

>  <COMPOUND_NAME> (4,830)
WAY-601083

>  <BAR_CODE_NO> (4,830)
90434510

$$$$
WAY-601085
csChFnd80/06171916322D

 19 22  0  0  0  0  0  0  0  0999 V2000
    0.0167    0.3708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167    1.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7292   -0.0417    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.7292    1.6083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4500    0.3708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7708    1.4458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4500    1.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7708    0.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2500    0.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7292   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000   -1.3542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667   -1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417   -2.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1625    1.6083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167   -2.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1000   -0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0708    0.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208   -0.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4083   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  2  0  0  0  0
  7  5  1  0  0  0  0
  8  1  1  0  0  0  0
  9  8  2  0  0  0  0
 10  3  1  0  0  0  0
 11 10  1  0  0  0  0
 12 10  2  0  0  0  0
 13 11  1  0  0  0  0
 14  7  1  0  0  0  0
 15 12  1  0  0  0  0
 16  8  1  0  0  0  0
 17  9  1  0  0  0  0
 18 16  2  0  0  0  0
 19 18  1  0  0  0  0
  9  6  1  0  0  0  0
  4  7  2  0  0  0  0
 19 17  2  0  0  0  0
 13 15  2  0  0  0  0
M  END
>  <Mol_ID> (4,831)
4831

>  <Formula> (4,831)
C13H11N5O

>  <MolWeight> (4,831)
253.25934

>  <COMPOUND_NAME> (4,831)
WAY-601085

>  <BAR_CODE_NO> (4,831)
90434512

$$$$
WAY-601116
csChFnd80/06171916322D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -0.0125    0.0750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667    0.3333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000    0.7458    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.7667    1.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0125    1.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792   -1.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3250    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292   -2.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833   -2.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0750   -0.8792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7375    0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4375    1.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333   -3.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3333   -1.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3250   -0.6792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7375    1.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0917   -1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792   -2.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5625    0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917    1.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3500    2.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5625    1.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6417   -1.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3875   -2.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8542    1.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167    2.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9750    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7667    2.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  2  0  0  0  0
  6  4  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  1  0  0  0  0
  9  7  2  0  0  0  0
 10  9  1  0  0  0  0
 11  3  2  0  0  0  0
 12  8  2  0  0  0  0
 13  5  1  0  0  0  0
 14 10  2  0  0  0  0
 15 10  1  0  0  0  0
 16 12  1  0  0  0  0
 17  8  1  0  0  0  0
 18  7  1  0  0  0  0
 19  9  1  0  0  0  0
 20 12  1  0  0  0  0
 21 13  1  0  0  0  0
 22 13  2  0  0  0  0
 23 17  2  0  0  0  0
 24 18  2  0  0  0  0
 25 24  1  0  0  0  0
 26 21  2  0  0  0  0
 27 22  1  0  0  0  0
 28 23  1  0  0  0  0
 29 27  2  0  0  0  0
  6  5  1  0  0  0  0
 28 20  2  0  0  0  0
 25 19  2  0  0  0  0
 29 26  1  0  0  0  0
M  END
>  <Mol_ID> (4,832)
4832

>  <Formula> (4,832)
C23H18N2O4

>  <MolWeight> (4,832)
386.40002

>  <COMPOUND_NAME> (4,832)
WAY-601116

>  <BAR_CODE_NO> (4,832)
90434545

$$$$
WAY-601128
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -0.4458   -0.8417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0375   -0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0375   -1.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -0.4292    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.8250   -1.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4917    0.0583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708   -0.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208    0.6125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208   -2.2917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6833   -0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4042    0.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2417   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708    0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5083   -0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9125    0.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667    1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9208    0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6833    1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8250    1.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5083    1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  2  0  0  0  0
  9  3  2  0  0  0  0
 10  7  1  0  0  0  0
 11  6  1  0  0  0  0
 12  6  1  0  0  0  0
 13 10  1  0  0  0  0
 14 10  2  0  0  0  0
 15 12  1  0  0  0  0
 16 11  1  0  0  0  0
 17 14  1  0  0  0  0
 18 13  2  0  0  0  0
 19 15  1  0  0  0  0
 20 17  2  0  0  0  0
  4  5  1  0  0  0  0
 20 18  1  0  0  0  0
 19 16  1  0  0  0  0
M  END
>  <Mol_ID> (4,833)
4833

>  <Formula> (4,833)
C16H20N2O2

>  <MolWeight> (4,833)
272.3422

>  <COMPOUND_NAME> (4,833)
WAY-601128

>  <BAR_CODE_NO> (4,833)
90434557

$$$$
WAY-601181
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -1.6583   -1.6125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542    1.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1250    0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292    0.2458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5708   -0.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4833   -1.7875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8208   -0.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417   -0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167    2.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4625   -2.4375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9250    0.7375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1917    1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542    1.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1792    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8417    2.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292    1.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2750   -2.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917   -1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  5  1  0  0  0  0
  4  1  1  0  0  0  0
  5  9  1  0  0  0  0
  6  4  2  0  0  0  0
  7  1  2  0  0  0  0
  8  1  2  0  0  0  0
  9  6  1  0  0  0  0
 10  2  1  0  0  0  0
 11  1  1  0  0  0  0
 12  3  2  0  0  0  0
 13  2  1  0  0  0  0
 14  2  1  0  0  0  0
 15 10  1  0  0  0  0
 16 14  1  0  0  0  0
 17 13  1  0  0  0  0
 18  4  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 20  9  2  0  0  0  0
 16 15  1  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <Mol_ID> (4,834)
4834

>  <Formula> (4,834)
C14H18N2O3S

>  <MolWeight> (4,834)
294.36932

>  <COMPOUND_NAME> (4,834)
WAY-601181

>  <BAR_CODE_NO> (4,834)
90434612

$$$$
WAY-601214
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -0.1833   -0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0750    0.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542   -2.5667    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.1250   -1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5958    0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042   -1.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042   -1.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2750   -2.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083   -0.4792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5958    1.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2625    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3083    2.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333   -1.9042    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.1167   -3.3250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542   -0.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3083    2.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4292   -1.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167    2.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542   -3.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0208    1.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167    2.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5958    3.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0208    3.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9167   -2.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5792   -3.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7375    2.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7375    2.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  8  1  0  0  0  0
  4  7  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  1  1  0  0  0  0
  8  6  2  0  0  0  0
  9  1  1  0  0  0  0
 10  5  1  0  0  0  0
 11  9  1  0  0  0  0
 12 10  2  0  0  0  0
 13  3  1  0  0  0  0
 14  3  2  0  0  0  0
 15  4  2  0  0  0  0
 16 12  1  0  0  0  0
 17  6  1  0  0  0  0
 18 10  1  0  0  0  0
 19  8  1  0  0  0  0
 20 12  1  0  0  0  0
 21 18  2  0  0  0  0
 22 21  1  0  0  0  0
 23 16  1  0  0  0  0
 24 17  2  0  0  0  0
 25 24  1  0  0  0  0
 26 20  2  0  0  0  0
 27 26  1  0  0  0  0
 11  5  2  0  0  0  0
 25 19  2  0  0  0  0
 22 16  2  0  0  0  0
 27 23  2  0  0  0  0
M  END
>  <Mol_ID> (4,835)
4835

>  <Formula> (4,835)
C20H13N3O3S

>  <MolWeight> (4,835)
375.40052

>  <COMPOUND_NAME> (4,835)
WAY-601214

>  <BAR_CODE_NO> (4,835)
90434652

$$$$
WAY-601446-A
csChFnd80/06171916322D

 23 24  0  0  0  0  0  0  0  0999 V2000
    3.7917    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3625    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0792    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3625   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7917    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6500    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3625    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0750    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7917   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5042    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0750   -1.2375    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.3625    0.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.2167    0.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.0792   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9292    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7917    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0792    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2167   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0750   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7917   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3625   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0792    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  6  1  0  0  0  0
  3  2  2  0  0  0  0
  4 11  1  0  0  0  0
  5  3  1  0  0  0  0
  6 15  1  0  0  0  0
  7  2  1  0  0  0  0
  8  1  1  0  0  0  0
  9  1  1  0  0  0  0
 10  1  1  0  0  0  0
 11  9  1  0  0  0  0
 12  8  1  0  0  0  0
 13 10  1  0  0  0  0
 14  3  1  0  0  0  0
 15 13  1  0  0  0  0
 16 17  1  0  0  0  0
 17  7  2  0  0  0  0
 18 13  1  0  0  0  0
 19 11  1  0  0  0  0
 20 12  1  0  0  0  0
 21 14  1  0  0  0  0
 22 14  1  0  0  0  0
 23 17  1  0  0  0  0
  4 12  1  0  0  0  0
 16  5  2  0  0  0  0
M  END
>  <Mol_ID> (4,836)
4836

>  <Formula> (4,836)
C19H31NO3

>  <MolWeight> (4,836)
321.45434

>  <COMPOUND_NAME> (4,836)
WAY-601446

>  <BAR_CODE_NO> (4,836)
90434898

$$$$
WAY-601447
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
    0.3625    0.0875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417    0.3458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583   -3.0500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1250    0.7583    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.3625    1.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4083   -2.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042   -0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9125   -3.8292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4458   -2.7917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9500    0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1250   -3.3042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8125    1.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9583   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042   -2.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542   -1.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7000   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3625    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3625    1.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6000    0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1875    1.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1875    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4250    0.7583    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.5667    1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3917    2.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2292    1.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1500    2.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  7  1  0  0  0  0
  4  2  2  0  0  0  0
  5  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7 14  2  0  0  0  0
  8  1  1  0  0  0  0
  9  3  2  0  0  0  0
 10  3  2  0  0  0  0
 11  5  1  0  0  0  0
 12  3  1  0  0  0  0
 13  4  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 16  8  1  0  0  0  0
 17  8  2  0  0  0  0
 18 11  2  0  0  0  0
 19 11  1  0  0  0  0
 20 21  1  0  0  0  0
 21 19  2  0  0  0  0
 22 18  1  0  0  0  0
 23 20  1  0  0  0  0
 24 13  1  0  0  0  0
 25 13  2  0  0  0  0
 26 25  1  0  0  0  0
 27 24  2  0  0  0  0
 28 26  2  0  0  0  0
  6  4  1  0  0  0  0
 15  7  1  0  0  0  0
 20 22  2  0  0  0  0
 28 27  1  0  0  0  0
M  END
>  <Mol_ID> (4,837)
4837

>  <Formula> (4,837)
C21H18FN3O2S

>  <MolWeight> (4,837)
395.4499232

>  <COMPOUND_NAME> (4,837)
WAY-601447

>  <BAR_CODE_NO> (4,837)
90434899

$$$$
WAY-601448
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
    2.1430    1.6782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2844    2.1644    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1223    0.6885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9913    2.1644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4258    1.6782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9913    0.2023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8189    1.6575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4258    0.7092    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4225    2.1644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8189    0.6885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9913   -0.7874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4225    0.2023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2949    1.6782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8189   -1.2632    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1223   -1.2632    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4225   -0.7564    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708    0.7092    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708   -1.2392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1191   -0.7564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2949   -2.2322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9570   -1.2632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1191   -2.7150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9811   -2.2184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8398   -0.7874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8604    0.1816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6777   -1.2840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  2  0  0  0  0
 11 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12 16  1  0  0  0  0
 12 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
  7 10  2  0  0  0  0
 13 17  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (4,838)
4838

>  <Formula> (4,838)
C18H14N4O4

>  <MolWeight> (4,838)
350.32816

>  <COMPOUND_NAME> (4,838)
WAY-601448

>  <BAR_CODE_NO> (4,838)
90434900

$$$$
WAY-601454-A
csChFnd80/06171916322D

 22 25  0  0  0  0  0  0  0  0999 V2000
    2.7542   -1.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292    3.1958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0167   -3.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1417   -2.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292   -2.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0875   -2.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3917   -2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9500   -1.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3000   -2.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500   -3.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7917   -2.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8792    2.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4292    1.8083    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.0542   -0.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2375    1.9708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9167    3.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    3.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7375    0.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1667    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4292   -0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292    4.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9167    4.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 12  1  0  0  0  0
  3  7  1  0  0  0  0
  4  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  1  1  0  0  0  0
  7  1  1  0  0  0  0
  8  1  1  0  0  0  0
  9  3  1  0  0  0  0
 10  5  1  0  0  0  0
 11  5  1  0  0  0  0
 12 13  1  0  0  0  0
 13 19  1  0  0  0  0
 14  1  1  0  0  0  0
 15 13  1  0  0  0  0
 16  2  1  0  0  0  0
 17  2  1  0  0  0  0
 18 20  1  0  0  0  0
 19 18  1  0  0  0  0
 20 14  1  0  0  0  0
 21 17  1  0  0  0  0
 22 16  1  0  0  0  0
 11  4  1  0  0  0  0
 10  3  1  0  0  0  0
  4  9  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (4,839)
4839

>  <Formula> (4,839)
C19H33NO2

>  <MolWeight> (4,839)
307.47082

>  <COMPOUND_NAME> (4,839)
WAY-601454

>  <BAR_CODE_NO> (4,839)
90434906

$$$$
WAY-601498
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -0.2750    0.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9875    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8667    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417    0.5458    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.9542   -0.2792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7083    0.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542    0.9583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6250    0.8750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2750    1.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4208    0.5458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7625   -0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417   -1.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1750    0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417   -2.7542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7083    1.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9875    2.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542   -0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2750   -0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542   -1.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2750   -1.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9875   -0.2792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1333    0.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2750   -3.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542   -3.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4208    2.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1333    1.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  7  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  2  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8  3  1  0  0  0  0
  9  1  1  0  0  0  0
 10  4  1  0  0  0  0
 11  6  1  0  0  0  0
 12  5  1  0  0  0  0
 13 21  2  0  0  0  0
 14  8  1  0  0  0  0
 15 13  1  0  0  0  0
 16 17  1  0  0  0  0
 17  9  2  0  0  0  0
 18 10  1  0  0  0  0
 19 10  2  0  0  0  0
 20 18  2  0  0  0  0
 21 19  1  0  0  0  0
 22  2  1  0  0  0  0
 23 11  2  0  0  0  0
 24 15  1  0  0  0  0
 25 15  1  0  0  0  0
 26 16  1  0  0  0  0
 27 26  2  0  0  0  0
 16  6  2  0  0  0  0
 20 13  1  0  0  0  0
 23 27  1  0  0  0  0
 14 12  2  0  0  0  0
M  END
>  <Mol_ID> (4,840)
4840

>  <Formula> (4,840)
C21H20N4OS

>  <MolWeight> (4,840)
376.4747

>  <COMPOUND_NAME> (4,840)
WAY-601498

>  <BAR_CODE_NO> (4,840)
90434954

$$$$
WAY-601514
csChFnd80/06171916322D

 24 27  0  0  0  0  0  0  0  0999 V2000
    2.0000    1.3250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5292    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4875    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7375    0.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7375    1.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083   -0.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833   -1.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5750   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7875    2.7958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042   -0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4250   -0.1917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6333   -1.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8292    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    2.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708    0.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7000    1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4500   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3333   -2.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1875    0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458   -3.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9625   -2.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6583   -2.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 12  2  0  0  0  0
  9  4  1  0  0  0  0
 10  3  2  0  0  0  0
 11  2  2  0  0  0  0
 12 10  1  0  0  0  0
 13  6  2  0  0  0  0
 14  6  1  0  0  0  0
 15  1  1  0  0  0  0
 16  5  1  0  0  0  0
 17  9  2  0  0  0  0
 18 16  2  0  0  0  0
 19 14  1  0  0  0  0
 20 14  1  0  0  0  0
 21 15  1  0  0  0  0
 22 20  1  0  0  0  0
 23 19  1  0  0  0  0
 24 22  1  0  0  0  0
  4  5  2  0  0  0  0
  8  9  1  0  0  0  0
 17 18  1  0  0  0  0
 24 23  1  0  0  0  0
M  END
>  <Mol_ID> (4,841)
4841

>  <Formula> (4,841)
C20H22N2O2

>  <MolWeight> (4,841)
322.40088

>  <COMPOUND_NAME> (4,841)
WAY-601514

>  <BAR_CODE_NO> (4,841)
90434971

$$$$
WAY-601549
csChFnd80/06171916322D

 25 29  0  0  0  0  0  0  0  0999 V2000
    1.7042    0.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5250   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0083   -1.4167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0083   -0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7000   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7958   -1.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7958   -0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1042    1.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667   -0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5375    0.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1167    1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6667    1.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9667   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167   -0.0792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5125    1.4375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833   -1.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4792    0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500    0.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0292    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5083   -1.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5083    0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2208   -1.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2208   -0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  6  1  0  0  0  0
  3  2  1  0  0  0  0
  4  2  2  0  0  0  0
  5  1  1  0  0  0  0
  6 16  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  1  0  0  0  0
  9  1  1  0  0  0  0
 10  1  1  0  0  0  0
 11  1  1  0  0  0  0
 12  9  1  0  0  0  0
 13 11  1  0  0  0  0
 14 10  1  0  0  0  0
 15  5  1  0  0  0  0
 16 15  1  0  0  0  0
 17  5  2  0  0  0  0
 18  6  2  0  0  0  0
 19 14  1  0  0  0  0
 20 13  1  0  0  0  0
 21 13  1  0  0  0  0
 22  7  1  0  0  0  0
 23  8  1  0  0  0  0
 24 22  2  0  0  0  0
 25 23  2  0  0  0  0
 21 12  1  0  0  0  0
 20 14  1  0  0  0  0
 19 12  1  0  0  0  0
  7  8  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (4,842)
4842

>  <Formula> (4,842)
C21H22O4

>  <MolWeight> (4,842)
338.39698

>  <COMPOUND_NAME> (4,842)
WAY-601549

>  <BAR_CODE_NO> (4,842)
90435006

$$$$
WAY-601554
csChFnd80/06171916322D

 25 29  0  0  0  0  0  0  0  0999 V2000
    0.5167    0.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042    1.6958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292   -1.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6667   -0.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167   -1.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3250    1.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1792    0.2250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4125    1.9708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542    2.3083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292   -2.5292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4500   -1.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6375   -1.7792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4875   -0.3542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4500   -2.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9750   -1.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7125    1.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375   -1.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375   -2.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208   -1.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7917   -0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000    1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0500    2.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8708    2.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0208    1.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3583    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  7  1  0  0  0  0
  5  3  2  0  0  0  0
  6  1  2  0  0  0  0
  7  1  1  0  0  0  0
  8  6  1  0  0  0  0
  9  2  1  0  0  0  0
 10  5  1  0  0  0  0
 11  3  1  0  0  0  0
 12 15  2  0  0  0  0
 13  4  2  0  0  0  0
 14 11  2  0  0  0  0
 15 13  1  0  0  0  0
 16  2  1  0  0  0  0
 17 11  1  0  0  0  0
 18 14  1  0  0  0  0
 19 17  1  0  0  0  0
 20 15  1  0  0  0  0
 21 16  2  0  0  0  0
 22 16  1  0  0  0  0
 23 22  2  0  0  0  0
 24 21  1  0  0  0  0
 25 23  1  0  0  0  0
  9  8  2  0  0  0  0
 12  5  1  0  0  0  0
 10 14  1  0  0  0  0
 25 24  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (4,843)
4843

>  <Formula> (4,843)
C17H14N6S2

>  <MolWeight> (4,843)
366.46326

>  <COMPOUND_NAME> (4,843)
WAY-601554

>  <BAR_CODE_NO> (4,843)
90435011

$$$$
WAY-601565
csChFnd80/06171916322D

 32 35  0  0  0  0  0  0  0  0999 V2000
    0.3792    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792    2.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5417   -1.4250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8875    1.5958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4083    2.2708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4083    0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1542   -1.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292   -1.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000   -2.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8167   -2.7292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0417    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417   -3.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9625   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6292   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9625   -1.8042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0417    2.4958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583    3.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0750   -1.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042   -0.4542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7125    1.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583    0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583   -3.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1083    3.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4708    3.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9125   -3.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6125   -2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3625    4.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4208   -2.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208   -3.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9750   -2.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708    4.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3 14  1  0  0  0  0
  4  6  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  2  0  0  0  0
  7  3  1  0  0  0  0
  8  3  1  0  0  0  0
  9  8  1  0  0  0  0
 10  7  1  0  0  0  0
 11  1  1  0  0  0  0
 12  9  2  0  0  0  0
 13 11  1  0  0  0  0
 14 13  1  0  0  0  0
 15  7  2  0  0  0  0
 16  2  2  0  0  0  0
 17  5  1  0  0  0  0
 18  8  2  0  0  0  0
 19 13  2  0  0  0  0
 20  4  1  0  0  0  0
 21  6  1  0  0  0  0
 22 12  1  0  0  0  0
 23 17  1  0  0  0  0
 24 17  2  0  0  0  0
 25 22  2  0  0  0  0
 26 22  1  0  0  0  0
 27 24  1  0  0  0  0
 28 23  2  0  0  0  0
 29 26  2  0  0  0  0
 30 25  1  0  0  0  0
 31 29  1  0  0  0  0
 32 27  2  0  0  0  0
  4  5  1  0  0  0  0
 10  9  1  0  0  0  0
 32 28  1  0  0  0  0
 31 30  2  0  0  0  0
M  END
>  <Mol_ID> (4,844)
4844

>  <Formula> (4,844)
C23H20N4O3S2

>  <MolWeight> (4,844)
464.5599

>  <COMPOUND_NAME> (4,844)
WAY-601565

>  <BAR_CODE_NO> (4,844)
90435022

$$$$
WAY-601591
csChFnd80/06171916322D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -0.7000    0.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2125    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7000   -0.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4833   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4833    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6125    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458   -1.4042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0250    0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0250   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8500    0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8500   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1958   -0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1958    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0875    0.0458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9125   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9125    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  2  0  0  0  0
  8  6  1  0  0  0  0
  9  6  2  0  0  0  0
 10 12  2  0  0  0  0
 11  8  2  0  0  0  0
 12  9  1  0  0  0  0
 13  4  1  0  0  0  0
 14  5  1  0  0  0  0
 15 10  1  0  0  0  0
 16 15  1  0  0  0  0
 17 18  1  0  0  0  0
 18 14  2  0  0  0  0
  3  4  1  0  0  0  0
 17 13  2  0  0  0  0
 11 10  1  0  0  0  0
M  END
>  <Mol_ID> (4,845)
4845

>  <Formula> (4,845)
C15H11NO2

>  <MolWeight> (4,845)
237.25334

>  <COMPOUND_NAME> (4,845)
WAY-601591

>  <BAR_CODE_NO> (4,845)
90435049

$$$$
WAY-601596
csChFnd80/06171916322D

 34 37  0  0  0  0  0  0  0  0999 V2000
   -0.2708    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4375    2.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8625   -0.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8875    2.5625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2750    3.1125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542    1.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0750   -1.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458   -1.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8625   -2.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0750   -1.9792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8208    1.2833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208   -3.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5625    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917   -0.6667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1958    3.0458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3625    3.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708   -1.5667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417    0.3250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5625   -3.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6917    2.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667    1.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417   -4.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417   -3.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8208   -4.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917   -4.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708   -5.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0917   -5.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167    4.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083    4.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9000   -5.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208    5.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042    5.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292    5.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3 14  1  0  0  0  0
  4  6  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  2  0  0  0  0
  7  3  1  0  0  0  0
  8  3  1  0  0  0  0
  9  8  1  0  0  0  0
 10  7  1  0  0  0  0
 11  1  1  0  0  0  0
 12  9  2  0  0  0  0
 13 11  1  0  0  0  0
 14 13  1  0  0  0  0
 15  7  2  0  0  0  0
 16  2  2  0  0  0  0
 17  5  1  0  0  0  0
 18  8  2  0  0  0  0
 19 13  2  0  0  0  0
 20 12  1  0  0  0  0
 21  4  1  0  0  0  0
 22  6  1  0  0  0  0
 23 27  2  0  0  0  0
 24 20  1  0  0  0  0
 25 20  2  0  0  0  0
 26 24  2  0  0  0  0
 27 25  1  0  0  0  0
 28 23  1  0  0  0  0
 29 17  1  0  0  0  0
 30 17  2  0  0  0  0
 31 28  1  0  0  0  0
 32 30  1  0  0  0  0
 33 29  2  0  0  0  0
 34 32  2  0  0  0  0
  5  4  1  0  0  0  0
 10  9  1  0  0  0  0
 34 33  1  0  0  0  0
 26 23  1  0  0  0  0
M  END
>  <Mol_ID> (4,846)
4846

>  <Formula> (4,846)
C24H22N4O4S2

>  <MolWeight> (4,846)
494.58588

>  <COMPOUND_NAME> (4,846)
WAY-601596

>  <BAR_CODE_NO> (4,846)
90435054

$$$$
WAY-601613
csChFnd80/06171916322D

 35 39  0  0  0  0  0  0  0  0999 V2000
   -0.3833    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042   -2.8667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3833    2.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000    2.4083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708    1.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000    1.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6375    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0542   -3.4792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458   -2.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0875   -0.0667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167   -2.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1083   -3.4167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2125   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667    2.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3458   -0.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6958    1.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4458    0.3708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1625   -4.7042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8667   -3.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8042   -4.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8500   -2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3542   -4.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4167   -3.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4083   -1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1500   -1.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8167    2.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1083    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1083    2.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9333    2.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4917    3.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    4.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9333    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3458    1.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4042    3.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  9  1  0  0  0  0
  3  5  2  0  0  0  0
  4  6  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  2  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9 13  1  0  0  0  0
 10  7  1  0  0  0  0
 11  2  2  0  0  0  0
 12  2  2  0  0  0  0
 13 15  2  0  0  0  0
 14  4  1  0  0  0  0
 15 10  1  0  0  0  0
 16  5  1  0  0  0  0
 17  7  2  0  0  0  0
 18 22  1  0  0  0  0
 19  8  1  0  0  0  0
 20  8  1  0  0  0  0
 21 24  1  0  0  0  0
 22 20  1  0  0  0  0
 23 19  1  0  0  0  0
 24 25  2  0  0  0  0
 25 15  1  0  0  0  0
 26 14  1  0  0  0  0
 27 14  2  0  0  0  0
 28 16  2  0  0  0  0
 29 16  1  0  0  0  0
 30 29  2  0  0  0  0
 31 26  2  0  0  0  0
 32 27  1  0  0  0  0
 33 28  1  0  0  0  0
 34 30  1  0  0  0  0
 35 32  2  0  0  0  0
  3  4  1  0  0  0  0
 34 33  2  0  0  0  0
 21  9  2  0  0  0  0
 35 31  1  0  0  0  0
 18 23  1  0  0  0  0
M  END
>  <Mol_ID> (4,847)
4847

>  <Formula> (4,847)
C26H24N4O4S

>  <MolWeight> (4,847)
488.55816

>  <COMPOUND_NAME> (4,847)
WAY-601613

>  <BAR_CODE_NO> (4,847)
90435073

$$$$
WAY-601615
csChFnd80/06171916322D

 35 39  0  0  0  0  0  0  0  0999 V2000
    0.3042    1.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -3.0625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042    2.8083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0917    2.5583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1750    2.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0917    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542    0.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708   -3.8417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1583   -2.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042    0.0750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667   -3.3167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000   -2.8042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7625    3.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000    2.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583    0.5208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833   -5.4167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7125   -1.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6417   -2.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3500   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208   -4.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4750   -4.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042   -1.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333   -4.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708   -5.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042    2.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6750    3.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4125    1.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4125    2.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2375    2.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1792    3.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3417    4.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2375    1.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6500    2.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0917    4.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  9  1  0  0  0  0
  3  5  2  0  0  0  0
  4  6  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  2  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9 18  2  0  0  0  0
 10  7  1  0  0  0  0
 11  2  2  0  0  0  0
 12  2  2  0  0  0  0
 13  4  1  0  0  0  0
 14  5  1  0  0  0  0
 15  7  2  0  0  0  0
 16 24  1  0  0  0  0
 17 22  2  0  0  0  0
 18 23  1  0  0  0  0
 19 10  1  0  0  0  0
 20  8  1  0  0  0  0
 21  8  1  0  0  0  0
 22 19  1  0  0  0  0
 23 19  2  0  0  0  0
 24 21  1  0  0  0  0
 25 20  1  0  0  0  0
 26 13  1  0  0  0  0
 27 13  2  0  0  0  0
 28 14  2  0  0  0  0
 29 14  1  0  0  0  0
 30 29  2  0  0  0  0
 31 26  2  0  0  0  0
 32 27  1  0  0  0  0
 33 28  1  0  0  0  0
 34 30  1  0  0  0  0
 35 32  2  0  0  0  0
  3  4  1  0  0  0  0
  9 17  1  0  0  0  0
 34 33  2  0  0  0  0
 35 31  1  0  0  0  0
 16 25  1  0  0  0  0
M  END
>  <Mol_ID> (4,848)
4848

>  <Formula> (4,848)
C26H24N4O4S

>  <MolWeight> (4,848)
488.55816

>  <COMPOUND_NAME> (4,848)
WAY-601615

>  <BAR_CODE_NO> (4,848)
90435075

$$$$
WAY-601625
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -0.2500   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667   -0.7417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1792   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1083   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8917    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9625   -0.7417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3958   -0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3250    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6042   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0375   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1083    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6833   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500    0.4958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8208   -0.7417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8208    0.9083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7500    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3958    0.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6833    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5917   -1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8917    0.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3250    0.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6042    1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0375   -1.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5375   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5375    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  7  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7 12  2  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
 10  8  1  0  0  0  0
 11 17  1  0  0  0  0
 12  6  1  0  0  0  0
 13  1  2  0  0  0  0
 14  4  1  0  0  0  0
 15 11  1  0  0  0  0
 16 10  2  0  0  0  0
 17 18  2  0  0  0  0
 18 12  1  0  0  0  0
 19  3  1  0  0  0  0
 20  3  1  0  0  0  0
 21  5  2  0  0  0  0
 22 23  2  0  0  0  0
 23 21  1  0  0  0  0
 24 10  1  0  0  0  0
 25 14  1  0  0  0  0
 26 15  1  0  0  0  0
 11  4  2  0  0  0  0
 22  8  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (4,849)
4849

>  <Formula> (4,849)
C21H24N2O3

>  <MolWeight> (4,849)
352.42686

>  <COMPOUND_NAME> (4,849)
WAY-601625

>  <BAR_CODE_NO> (4,849)
90435085

$$$$
WAY-601633
csChFnd80/06171916322D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -0.5208   -0.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458   -0.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0375    0.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8333    0.2250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -0.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0375   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8333   -1.1042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -0.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6208   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6208   -0.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958   -1.8917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958    1.0083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1667    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8375    0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3333    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3333   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7500    1.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5917    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0458   -0.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0458   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2542    0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4167    1.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1667    1.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9  4  1  0  0  0  0
 10  7  1  0  0  0  0
 11  5  1  0  0  0  0
 12  6  2  0  0  0  0
 13  3  1  0  0  0  0
 14 11  1  0  0  0  0
 15 14  1  0  0  0  0
 16  9  1  0  0  0  0
 17 10  1  0  0  0  0
 18 15  2  0  0  0  0
 19 15  1  0  0  0  0
 20 17  2  0  0  0  0
 21 16  2  0  0  0  0
 22 19  2  0  0  0  0
 23 18  1  0  0  0  0
 24 22  1  0  0  0  0
  5  8  1  0  0  0  0
 10  9  2  0  0  0  0
 20 21  1  0  0  0  0
 24 23  2  0  0  0  0
M  END
>  <Mol_ID> (4,850)
4850

>  <Formula> (4,850)
C19H18N4O

>  <MolWeight> (4,850)
318.37242

>  <COMPOUND_NAME> (4,850)
WAY-601633

>  <BAR_CODE_NO> (4,850)
90435097

$$$$
WAY-601660
csChFnd80/06171916322D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -0.5583    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708    1.4375    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.4542   -1.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0250   -2.5417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042   -1.0875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083    1.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542   -3.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542   -0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2417   -2.1292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2625    2.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2417   -2.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000    0.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000    1.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042   -3.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6208    2.2208    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.9208    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5625   -0.6417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0542    0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7708    4.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2875    3.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0708    2.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917   -4.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833   -3.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0500   -4.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3250    3.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292    4.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  5  1  0  0  0  0
  4  3  2  0  0  0  0
  5  8  1  0  0  0  0
  6  1  2  0  0  0  0
  7  4  1  0  0  0  0
  8 13  1  0  0  0  0
  9  1  1  0  0  0  0
 10  3  1  0  0  0  0
 11  6  1  0  0  0  0
 12 10  1  0  0  0  0
 13  9  2  0  0  0  0
 14  6  1  0  0  0  0
 15  7  1  0  0  0  0
 16  2  1  0  0  0  0
 17  2  2  0  0  0  0
 18  8  2  0  0  0  0
 19 13  1  0  0  0  0
 20 26  1  0  0  0  0
 21 11  1  0  0  0  0
 22 11  1  0  0  0  0
 23 15  1  0  0  0  0
 24 15  1  0  0  0  0
 25 15  1  0  0  0  0
 26 22  1  0  0  0  0
 27 21  1  0  0  0  0
 14 19  2  0  0  0  0
 20 27  1  0  0  0  0
 12  7  2  0  0  0  0
M  END
>  <Mol_ID> (4,851)
4851

>  <Formula> (4,851)
C18H22N4O4S

>  <MolWeight> (4,851)
390.45668

>  <COMPOUND_NAME> (4,851)
WAY-601660

>  <BAR_CODE_NO> (4,851)
90435124

$$$$
WAY-601673
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -1.7861    0.8210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0723    0.4175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7861    1.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4896    0.4175    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3516    0.8210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0723   -0.4204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0723    2.0693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4896    2.0693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2137    0.8210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3656    0.4175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3516    1.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3516   -0.8411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0723    2.8796    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.2137    1.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3656   -0.4204    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0242   -0.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0242   -1.6928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7277   -0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7277   -2.1066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4484   -0.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4484   -1.6928    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1484   -2.6894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3139   -2.6894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4415   -0.0411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2863   -0.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  2  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  1  0  0  0  0
 20 25  1  0  0  0  0
  7 11  1  0  0  0  0
  9 14  1  0  0  0  0
 12 15  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (4,852)
4852

>  <Formula> (4,852)
C20H26ClN3O

>  <MolWeight> (4,852)
359.89294

>  <COMPOUND_NAME> (4,852)
WAY-601673

>  <BAR_CODE_NO> (4,852)
90435137

$$$$
WAY-601705
csChFnd80/06171916322D

 31 34  0  0  0  0  0  0  0  0999 V2000
   -0.0333   -0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208   -0.9042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3083   -0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3083    0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917   -0.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0208   -1.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0208    0.5875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6792    1.9083    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.2042    0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2625    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2667    1.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083    2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7333   -0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7333    0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0292    0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417    1.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5042    1.9083    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.2667    2.6208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917    1.1958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2625   -1.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6792    0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417   -0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2667   -0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5625   -3.0875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4458   -1.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4458    0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8208   -2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1125   -3.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1625    0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1625   -0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8  5  1  0  0  0  0
  9 12  1  0  0  0  0
 10  6  1  0  0  0  0
 11  2  1  0  0  0  0
 12 17  1  0  0  0  0
 13 11  3  0  0  0  0
 14  7  2  0  0  0  0
 15  8  2  0  0  0  0
 16 10  1  0  0  0  0
 17 16  2  0  0  0  0
 18  9  1  0  0  0  0
 19  9  2  0  0  0  0
 20 10  2  0  0  0  0
 21  3  1  0  0  0  0
 22 24  1  0  0  0  0
 23 16  1  0  0  0  0
 24 23  2  0  0  0  0
 25 28  1  0  0  0  0
 26 14  1  0  0  0  0
 27 15  1  0  0  0  0
 28 21  1  0  0  0  0
 29 25  1  0  0  0  0
 30 27  2  0  0  0  0
 31 26  2  0  0  0  0
  4  5  2  0  0  0  0
 14 15  1  0  0  0  0
 22 12  2  0  0  0  0
 31 30  1  0  0  0  0
M  END
>  <Mol_ID> (4,853)
4853

>  <Formula> (4,853)
C21H16N6O4

>  <MolWeight> (4,853)
416.38954

>  <COMPOUND_NAME> (4,853)
WAY-601705

>  <BAR_CODE_NO> (4,853)
90435170

$$$$
WAY-601708
csChFnd80/06171916322D

 27 30  0  0  0  0  0  0  0  0999 V2000
    0.2293    0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2807    0.3882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0943   -0.5118    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4997   -0.5598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7337   -0.0048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7843    0.3132    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8567   -1.0428    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3307    0.0582    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8593    0.9102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3707    0.9822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4083    1.1442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4547    1.5822    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4537   -0.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6907   -0.4158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8913    0.7782    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3763    1.2732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6093    1.7082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3803    1.1262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2063    1.6902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4603   -0.9858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2787   -0.3408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8137   -1.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0633   -0.8988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4263   -1.3728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0263   -1.2888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6417   -0.8238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4107   -1.3728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  4  2  0  0  0  0
  5  8  2  0  0  0  0
  9  6  1  0  0  0  0
 10  2  1  0  0  0  0
 11  9  1  0  0  0  0
 12 10  3  0  0  0  0
 13  7  1  0  0  0  0
 14  8  1  0  0  0  0
 15 11  1  0  0  0  0
 16  9  2  0  0  0  0
 17 11  2  0  0  0  0
 18 15  1  0  0  0  0
 19 17  1  0  0  0  0
 20  3  1  0  0  0  0
 14 21  2  0  0  0  0
 22 13  2  0  0  0  0
 23 20  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 21  1  0  0  0  0
 27 22  1  0  0  0  0
  4  5  1  0  0  0  0
 13 14  1  0  0  0  0
 18 19  2  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <Mol_ID> (4,854)
4854

>  <Formula> (4,854)
C20H17N5OS

>  <MolWeight> (4,854)
375.44688

>  <COMPOUND_NAME> (4,854)
WAY-601708

>  <BAR_CODE_NO> (4,854)
90435174

$$$$
WAY-601727
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.6074   -1.5243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6074   -0.5140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7902   -2.0140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4522   -2.0140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7902   -0.0243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4522   -0.0243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0581   -1.5243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2867   -1.5243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4522   -2.9933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0581   -0.5140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2867   -0.5140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9374   -2.0140    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.9374   -0.0243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1833   -0.0243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9374    0.9378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7685    1.4240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7685    2.4033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5995    0.9516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6167    2.8757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4478    1.4240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4650    2.3860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3133    2.8447    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 21 22  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (4,855)
4855

>  <Formula> (4,855)
C17H12ClFO3

>  <MolWeight> (4,855)
318.7267832

>  <COMPOUND_NAME> (4,855)
WAY-601727

>  <BAR_CODE_NO> (4,855)
90435194

$$$$
WAY-601731-A
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
    3.8625    1.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1167    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0750    2.0458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8625    3.1208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3417    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0750    2.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    0.7458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000   -0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6292    0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1167   -0.3292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.2250   -3.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5667   -0.5625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3625    1.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3625    3.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3042   -3.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8917   -4.3292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    2.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    2.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0625   -2.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6417   -2.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4792   -1.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4667   -4.1792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1667    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7292   -1.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1500   -1.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  2  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8  7  2  0  0  0  0
  9  2  2  0  0  0  0
 10  9  1  0  0  0  0
 11 15  1  0  0  0  0
 12  8  1  0  0  0  0
 13  3  1  0  0  0  0
 14  6  1  0  0  0  0
 15 19  2  0  0  0  0
 16 11  2  0  0  0  0
 17 13  2  0  0  0  0
 18 17  1  0  0  0  0
 19 25  1  0  0  0  0
 20 24  2  0  0  0  0
 21 12  1  0  0  0  0
 22 11  1  0  0  0  0
 23  5  1  0  0  0  0
 24 21  1  0  0  0  0
 25 21  2  0  0  0  0
  6  4  2  0  0  0  0
  8 10  1  0  0  0  0
 18 14  2  0  0  0  0
 15 20  1  0  0  0  0
M  END
>  <Mol_ID> (4,856)
4856

>  <Formula> (4,856)
C18H14N4O2S

>  <MolWeight> (4,856)
350.39436

>  <COMPOUND_NAME> (4,856)
WAY-601731

>  <BAR_CODE_NO> (4,856)
90435199

$$$$
WAY-601761
csChFnd80/06171916322D

 25 27  0  0  0  0  0  0  0  0999 V2000
    0.5177    1.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5177    0.3640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2625    1.8260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3168    1.6053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3754    0.1019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2763   -0.1912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1590    2.7433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1108    1.4433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8996    0.8743    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6065   -0.7740    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1901   -1.1257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1246    0.1881    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9177    3.2984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8694    1.9846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5134   -1.0223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7659    2.9191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7479   -1.9429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1858   -0.3671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5108    3.4605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6513   -2.1912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1030   -2.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9168   -3.0843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2961   -1.5360    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.3375   -3.5050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2720   -3.7257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 14  2  0  0  0  0
 10 15  1  0  0  0  0
 13 16  2  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 17 21  2  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
  5  9  1  0  0  0  0
 14 16  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (4,857)
4857

>  <Formula> (4,857)
C19H14ClNO3S

>  <MolWeight> (4,857)
371.83736

>  <COMPOUND_NAME> (4,857)
WAY-601761

>  <BAR_CODE_NO> (4,857)
90435229

$$$$
WAY-601762
csChFnd80/06171916322D

 28 32  0  0  0  0  0  0  0  0999 V2000
   -1.7923   -1.0781    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7371   -1.6677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0578    0.0012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6992   -1.5056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5923   -0.9574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9440   -2.7884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1785    0.0875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3198    0.8840    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1836   -0.7677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6543   -1.3574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0061   -3.1712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1854    0.6771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2319   -1.1643    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8612   -2.4332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5526    1.5357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1181   -0.4263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4388   -2.2574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6595    1.2978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1836    2.5978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1802   -0.8401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5008   -2.6850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3836    2.1530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9353    3.4219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3560   -1.9470    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0284    3.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5043    2.1530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9422    3.8357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8284    3.2150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  1  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
 19 23  2  0  0  0  0
 20 24  1  0  0  0  0
 22 25  2  0  0  0  0
 22 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
  5  7  1  0  0  0  0
 11 14  1  0  0  0  0
 21 24  1  0  0  0  0
 23 25  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (4,858)
4858

>  <Formula> (4,858)
C21H24N4O3

>  <MolWeight> (4,858)
380.44026

>  <COMPOUND_NAME> (4,858)
WAY-601762

>  <BAR_CODE_NO> (4,858)
90435230

$$$$
WAY-601775
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -1.1083   -1.0875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958   -1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167   -1.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083   -0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0375   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8208    0.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7500   -1.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8208    0.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4667   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5333    1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167   -0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958    0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083    1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7500   -0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4667   -2.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2500    0.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1792   -1.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5333    2.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083    2.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4667    0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8208    2.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1792   -0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  2  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  7  5  1  0  0  0  0
  8  6  1  0  0  0  0
  9  7  2  0  0  0  0
 10  8  2  0  0  0  0
 11 12  2  0  0  0  0
 12  4  1  0  0  0  0
 13  8  1  0  0  0  0
 14  7  1  0  0  0  0
 15  9  1  0  0  0  0
 16 10  1  0  0  0  0
 17  9  1  0  0  0  0
 18 10  1  0  0  0  0
 19 13  2  0  0  0  0
 20 14  2  0  0  0  0
 21 19  1  0  0  0  0
 22 20  1  0  0  0  0
 11  3  1  0  0  0  0
 21 18  2  0  0  0  0
 22 17  2  0  0  0  0
M  END
>  <Mol_ID> (4,859)
4859

>  <Formula> (4,859)
C18H16N2O2

>  <MolWeight> (4,859)
292.33184

>  <COMPOUND_NAME> (4,859)
WAY-601775

>  <BAR_CODE_NO> (4,859)
90435243

$$$$
WAY-601793
csChFnd80/06171916322D

 29 33  0  0  0  0  0  0  0  0999 V2000
    2.1292   -0.3917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4458    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4458    0.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7333   -0.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7333    1.2583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8417   -0.8042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0125    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1583    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1583   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0125    0.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7167   -1.1125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5417    0.3208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9125    0.9208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2458   -1.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9125   -0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2458    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167    0.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0500   -1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4625    1.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0500    2.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4625   -0.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2667   -1.6292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8417   -1.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5542   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2667   -0.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5542   -2.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  2  0  0  0  0
  3  5  2  0  0  0  0
  4  8  1  0  0  0  0
  5 12  1  0  0  0  0
  6  1  1  0  0  0  0
  7  1  1  0  0  0  0
  8 11  1  0  0  0  0
  9  3  1  0  0  0  0
 10  2  1  0  0  0  0
 11  7  2  0  0  0  0
 12 22  1  0  0  0  0
 13  1  2  0  0  0  0
 14  1  2  0  0  0  0
 15  9  1  0  0  0  0
 16 10  1  0  0  0  0
 17 10  2  0  0  0  0
 18  9  2  0  0  0  0
 19  7  1  0  0  0  0
 20 16  1  0  0  0  0
 21 15  1  0  0  0  0
 22 19  2  0  0  0  0
 23 18  1  0  0  0  0
 24 17  1  0  0  0  0
 25 28  1  0  0  0  0
 26  6  1  0  0  0  0
 27  6  1  0  0  0  0
 28 27  1  0  0  0  0
 29 26  1  0  0  0  0
 25 29  1  0  0  0  0
 12  8  2  0  0  0  0
  2  3  1  0  0  0  0
 20 24  2  0  0  0  0
 21 23  2  0  0  0  0
M  END
>  <Mol_ID> (4,860)
4860

>  <Formula> (4,860)
C20H17N3O5S

>  <MolWeight> (4,860)
411.43108

>  <COMPOUND_NAME> (4,860)
WAY-601793

>  <BAR_CODE_NO> (4,860)
90435261

$$$$
WAY-601816
csChFnd80/06171916322D

 26 27  0  0  0  0  0  0  0  0999 V2000
   -0.7958   -3.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0500   -4.5250    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.2833   -3.0667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7500    3.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958   -2.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2000    3.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0917    1.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583    1.1750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000    1.6208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0125   -3.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0500   -1.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0125   -2.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1583    2.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3917    3.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083    0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542    2.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8583   -4.6917    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.5000   -5.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000   -1.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8583   -1.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042    0.2208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1375    4.1667    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3625    3.0833    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3042    4.2292    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708    2.7458    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  6  1  0  0  0  0
  5  3  1  0  0  0  0
  6 14  2  0  0  0  0
  7  8  1  0  0  0  0
  8 15  1  0  0  0  0
  9  7  1  0  0  0  0
 10  1  2  0  0  0  0
 11  5  1  0  0  0  0
 12 10  1  0  0  0  0
 13  7  2  0  0  0  0
 14 13  1  0  0  0  0
 15 25  1  0  0  0  0
 16  9  2  0  0  0  0
 17  2  1  0  0  0  0
 18  2  2  0  0  0  0
 19 11  1  0  0  0  0
 20 11  2  0  0  0  0
 21 15  2  0  0  0  0
 22  4  1  0  0  0  0
 23  4  1  0  0  0  0
 24  4  1  0  0  0  0
 25 19  1  0  0  0  0
 26 13  1  0  0  0  0
  5 12  2  0  0  0  0
  6 16  1  0  0  0  0
M  END
>  <Mol_ID> (4,861)
4861

>  <Formula> (4,861)
C13H7ClF3N3O6

>  <MolWeight> (4,861)
393.6593896

>  <COMPOUND_NAME> (4,861)
WAY-601816

>  <BAR_CODE_NO> (4,861)
90435287

$$$$
WAY-614885
csChFnd80/06171916322D

 23 26  0  0  0  0  0  0  0  0999 V2000
   -0.4135   -0.4244    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8859    0.2376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8859   -1.0762    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3865   -0.4244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6859   -0.0106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6652    1.0238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6756   -0.8244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3135   -1.7762    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2135   -1.4762    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7900    0.2894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3963    0.3963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3963   -1.2244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6348    0.2894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3865    0.9963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1100   -0.0244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1100   -0.8244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0348    0.9963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0348   -0.4244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7900    1.7100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6348    1.7100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8865    0.9963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8865   -0.4244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2865    0.2894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  3  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  2  0  0  0  0
  7 12  2  0  0  0  0
 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  0  0  0  0
 14 19  2  0  0  0  0
 17 20  2  0  0  0  0
 17 21  1  0  0  0  0
 18 22  2  0  0  0  0
 21 23  2  0  0  0  0
  5  7  1  0  0  0  0
 15 16  2  0  0  0  0
 19 20  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (4,862)
4862

>  <Formula> (4,862)
C18H13NO3S

>  <MolWeight> (4,862)
323.36572

>  <COMPOUND_NAME> (4,862)
WAY-614885

>  <BAR_CODE_NO> (4,862)
90448825

$$$$
WAY-614912
csChFnd80/06171916322D

 31 36  0  0  0  0  0  0  0  0999 V2000
   -0.2708   -0.0917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708   -0.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6958   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6958   -0.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9833   -1.3375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9833    0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4500    0.3125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1625   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4833    0.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4500   -1.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4833   -1.1792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9625   -0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1625   -0.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8792    0.3125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9833    1.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7333    0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3917    1.1333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5917   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3042    0.3125    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.4500   -2.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8792   -1.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    1.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1833    1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5458    1.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0625   -0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1625   -2.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8792   -2.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6125    0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7958    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4375    2.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2458    2.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  6  1  0  0  0  0
  4  3  2  0  0  0  0
  5  2  2  0  0  0  0
  6  1  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  2  0  0  0  0
  9  3  1  0  0  0  0
 10  2  1  0  0  0  0
 11  4  1  0  0  0  0
 12  9  2  0  0  0  0
 13  8  1  0  0  0  0
 14  8  1  0  0  0  0
 15  6  2  0  0  0  0
 16  9  1  0  0  0  0
 17 19  1  0  0  0  0
 18 14  1  0  0  0  0
 19 18  1  0  0  0  0
 20 10  1  0  0  0  0
 21 13  1  0  0  0  0
 22 17  1  0  0  0  0
 23 16  1  0  0  0  0
 24 16  2  0  0  0  0
 25 19  1  0  0  0  0
 26 20  2  0  0  0  0
 27 21  2  0  0  0  0
 28 25  1  0  0  0  0
 29 24  1  0  0  0  0
 30 23  2  0  0  0  0
 31 29  2  0  0  0  0
  5  4  1  0  0  0  0
 10 13  2  0  0  0  0
 12 11  1  0  0  0  0
 26 27  1  0  0  0  0
 28 22  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (4,863)
4863

>  <Formula> (4,863)
C24H20N4O2S

>  <MolWeight> (4,863)
428.5062

>  <COMPOUND_NAME> (4,863)
WAY-614912

>  <BAR_CODE_NO> (4,863)
90448852

$$$$
WAY-614915
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.0588   -0.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1002   -1.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5209   -0.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4653   -0.5483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4274   -1.4069    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5830   -1.4724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4899    0.1655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0036   -0.6345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7412   -0.9897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7136   -0.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0140   -1.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0209    0.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2929   -0.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0067    0.9586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4929    1.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4519    1.2345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5067    1.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4519    1.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0481    2.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  9 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
  5  9  1  0  0  0  0
  8 11  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (4,864)
4864

>  <Formula> (4,864)
C14H14N4S

>  <MolWeight> (4,864)
270.35276

>  <COMPOUND_NAME> (4,864)
WAY-614915

>  <BAR_CODE_NO> (4,864)
90448855

$$$$
WAY-614924
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
    1.2792    1.0333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917    1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667    2.1083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792    2.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0250    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333   -0.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458   -2.2792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958   -1.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7292    0.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333    1.6958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333    0.6875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -3.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4625    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8792    2.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083   -1.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6083   -3.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500   -3.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042    3.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417    3.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2000   -0.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4583   -1.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083   -4.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8625   -4.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3083   -4.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292    3.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167    4.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10 11  1  0  0  0  0
 11  9  2  0  0  0  0
 12  2  2  0  0  0  0
 13  3  2  0  0  0  0
 14  7  2  0  0  0  0
 15 10  1  0  0  0  0
 16  5  1  0  0  0  0
 17  5  1  0  0  0  0
 18  9  1  0  0  0  0
 19 11  1  0  0  0  0
 20 15  1  0  0  0  0
 21 15  2  0  0  0  0
 22 17  1  0  0  0  0
 23 16  1  0  0  0  0
 24 18  2  0  0  0  0
 25 24  1  0  0  0  0
 26 21  1  0  0  0  0
 27 20  2  0  0  0  0
 28 26  2  0  0  0  0
 29 23  1  0  0  0  0
 30 22  1  0  0  0  0
  4  5  1  0  0  0  0
 30 29  1  0  0  0  0
 19 25  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (4,865)
4865

>  <Formula> (4,865)
C23H25N3O3S

>  <MolWeight> (4,865)
423.5279

>  <COMPOUND_NAME> (4,865)
WAY-614924

>  <BAR_CODE_NO> (4,865)
90448864

$$$$
WAY-614925
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
    0.6139   -0.6311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2518   -0.2449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6277   -1.3656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0206   -0.2587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2277    0.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8898   -0.6035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0137   -1.7415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2656   -1.7311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0206    0.4896    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6654   -0.6208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8622    0.8654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5242   -0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0102   -2.4829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2794   -2.4725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6723    0.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5104    0.5171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6415   -2.8449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6723    1.6068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3206    0.4827    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9654    1.6171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0415    2.0275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9654    0.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2723    1.6171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7484    2.4551    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6137    0.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2723    0.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  2  0  0  0  0
  9 15  1  0  0  0  0
 11 16  1  0  0  0  0
 13 17  2  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  3  0  0  0  0
 22 25  1  0  0  0  0
 23 26  1  0  0  0  0
 12 16  2  0  0  0  0
 14 17  1  0  0  0  0
 20 22  2  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (4,866)
4866

>  <Formula> (4,866)
C22H18N2OS

>  <MolWeight> (4,866)
358.45612

>  <COMPOUND_NAME> (4,866)
WAY-614925

>  <BAR_CODE_NO> (4,866)
90448865

$$$$
WAY-615029
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.6250   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083   -1.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8500    0.9250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083    0.1625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8958   -0.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8958   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000   -0.5042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5167    1.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6667    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583   -1.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6125    0.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4375    0.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8417    1.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292    2.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042    1.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2250    0.3958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4083   -2.5667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000    0.9250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458   -2.1292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6833   -1.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6833    0.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1625   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3 12  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  1  1  0  0  0  0
  8  3  1  0  0  0  0
  9  3  1  0  0  0  0
 10  2  1  0  0  0  0
 11  7  1  0  0  0  0
 12 11  1  0  0  0  0
 13  9  1  0  0  0  0
 14  8  1  0  0  0  0
 15  8  2  0  0  0  0
 16  9  2  0  0  0  0
 17 10  2  0  0  0  0
 18 11  2  0  0  0  0
 19 10  1  0  0  0  0
 20  5  1  0  0  0  0
 21  6  1  0  0  0  0
 22 21  1  0  0  0  0
  6  5  2  0  0  0  0
 22 20  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (4,867)
4867

>  <Formula> (4,867)
C14H15N3O4S

>  <MolWeight> (4,867)
321.3516

>  <COMPOUND_NAME> (4,867)
WAY-615029

>  <BAR_CODE_NO> (4,867)
90448971

$$$$
WAY-615128-A
csChFnd80/06171916322D

 23 24  0  0  0  0  0  0  0  0999 V2000
    3.7917    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7917   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5042    1.0833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0750   -0.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5042    3.5583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3625   -1.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3625   -2.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0750   -1.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5042    1.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2167    2.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7917    2.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0750    1.0833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7917    3.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2167    3.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7917   -1.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0750   -3.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7917   -2.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.3917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0750   -3.8667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2167    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5042    4.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7917   -4.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5 13  1  0  0  0  0
  6  8  2  0  0  0  0
  7  6  1  0  0  0  0
  8  4  1  0  0  0  0
  9  3  1  0  0  0  0
 10  9  1  0  0  0  0
 11  9  1  0  0  0  0
 12  1  2  0  0  0  0
 13 11  1  0  0  0  0
 14 10  1  0  0  0  0
 15  8  1  0  0  0  0
 16 17  1  0  0  0  0
 17 15  2  0  0  0  0
 18  6  1  0  0  0  0
 19 16  1  0  0  0  0
 20  3  1  0  0  0  0
 21  5  1  0  0  0  0
 22 18  1  0  0  0  0
 23 19  1  0  0  0  0
  5 14  1  0  0  0  0
 16  7  2  0  0  0  0
M  END
>  <Mol_ID> (4,868)
4868

>  <Formula> (4,868)
C18H26N2O3

>  <MolWeight> (4,868)
318.41064

>  <COMPOUND_NAME> (4,868)
WAY-615128

>  <BAR_CODE_NO> (4,868)
90449073

$$$$
WAY-615134
csChFnd80/06171916322D

 19 20  0  0  0  0  0  0  0  0999 V2000
    0.2562   -0.1072    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6395   -0.7489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3812   -0.7489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1230    0.5303    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2687   -1.4072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7687   -1.3989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9062    0.2678    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3813   -0.4864    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9188    1.1178    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8438    0.5178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4020   -2.0489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2105    1.1386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7562   -0.0864    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.6520   -2.0572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7812   -2.6864    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2855    1.7261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8688    1.7636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9438    2.3511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2355    2.3636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  2  0  0  0  0
  6  3  2  0  0  0  0
  7  1  2  0  0  0  0
  8  1  2  0  0  0  0
  9 12  2  0  0  0  0
 10  4  1  0  0  0  0
 11 14  2  0  0  0  0
 12 10  1  0  0  0  0
 13  3  1  0  0  0  0
 14  5  1  0  0  0  0
 15 11  1  0  0  0  0
 16  9  1  0  0  0  0
 17 12  1  0  0  0  0
 18 19  1  0  0  0  0
 19 17  2  0  0  0  0
 11  6  1  0  0  0  0
 16 18  2  0  0  0  0
M  END
>  <Mol_ID> (4,869)
4869

>  <Formula> (4,869)
C12H10F2N2O2S

>  <MolWeight> (4,869)
284.2818064

>  <COMPOUND_NAME> (4,869)
WAY-615134

>  <BAR_CODE_NO> (4,869)
90449079

$$$$
WAY-615136
csChFnd80/06171916322D

 28 31  0  0  0  0  0  0  0  0999 V2000
    0.3292   -1.0542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4750   -0.8792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7333   -0.0917    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.7958    0.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417   -1.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7958    2.1958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3083    1.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1750    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5333    0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5750    1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1625   -1.8625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042   -0.2417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6917   -0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5750    1.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333    1.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3917   -2.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7542   -1.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042   -2.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292    0.3458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2875    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0500   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2875    2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5625   -1.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0083    1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8542   -0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0083    1.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1125   -1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  9  1  0  0  0  0
  5  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  4  2  0  0  0  0
  8  3  1  0  0  0  0
  9  3  1  0  0  0  0
 10  4  1  0  0  0  0
 11  1  2  0  0  0  0
 12  1  2  0  0  0  0
 13  5  2  0  0  0  0
 14 10  2  0  0  0  0
 15 13  1  0  0  0  0
 16  8  2  0  0  0  0
 17  5  1  0  0  0  0
 18 19  1  0  0  0  0
 19 17  2  0  0  0  0
 20  8  1  0  0  0  0
 21 10  1  0  0  0  0
 22 15  1  0  0  0  0
 23 14  1  0  0  0  0
 24 18  1  0  0  0  0
 25 21  2  0  0  0  0
 26 22  2  0  0  0  0
 27 25  1  0  0  0  0
 28 24  2  0  0  0  0
 18 15  2  0  0  0  0
 26 28  1  0  0  0  0
 14  6  1  0  0  0  0
 27 23  2  0  0  0  0
M  END
>  <Mol_ID> (4,870)
4870

>  <Formula> (4,870)
C21H18N2O4S

>  <MolWeight> (4,870)
394.44362

>  <COMPOUND_NAME> (4,870)
WAY-615136

>  <BAR_CODE_NO> (4,870)
90449081

$$$$
WAY-615145
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -0.6875    0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000    0.5375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458   -0.5042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000    1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3875   -1.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708    0.9500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6875    1.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167   -0.9417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6458   -1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667    1.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4500   -2.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0958   -2.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792    2.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5167    1.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3458   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7083   -2.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1875    1.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3417    3.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1583   -3.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  5  2  0  0  0  0
  9  5  1  0  0  0  0
 10  4  1  0  0  0  0
 11  9  1  0  0  0  0
 12  9  2  0  0  0  0
 13 10  1  0  0  0  0
 14 10  1  0  0  0  0
 15 12  1  0  0  0  0
 16 11  2  0  0  0  0
 17 14  1  0  0  0  0
 18 13  1  0  0  0  0
 19 17  1  0  0  0  0
 20 15  2  0  0  0  0
  7  4  2  0  0  0  0
 20 16  1  0  0  0  0
 19 18  1  0  0  0  0
M  END
>  <Mol_ID> (4,871)
4871

>  <Formula> (4,871)
C16H18N2OS

>  <MolWeight> (4,871)
286.39192

>  <COMPOUND_NAME> (4,871)
WAY-615145

>  <BAR_CODE_NO> (4,871)
90449092

$$$$
WAY-615237
csChFnd80/06171916322D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -1.3583    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3583    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6458   -0.3417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1375   -0.1917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6458    1.3083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1375    1.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0750    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6250    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0750    0.8958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5042   -1.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2167   -1.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7875   -0.3417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2167   -0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5042   -2.4042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5042    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7875   -1.1667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4750    1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4458    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9292   -1.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9292    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2958    1.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7833    1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6417   -1.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6417   -0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  2  0  0  0  0
  8  4  1  0  0  0  0
  9  7  1  0  0  0  0
 10 11  1  0  0  0  0
 11 13  2  0  0  0  0
 12  7  1  0  0  0  0
 13 15  1  0  0  0  0
 14 10  2  0  0  0  0
 15 12  1  0  0  0  0
 16 10  1  0  0  0  0
 17  6  1  0  0  0  0
 18  8  1  0  0  0  0
 19 11  1  0  0  0  0
 20 13  1  0  0  0  0
 21 17  2  0  0  0  0
 22 18  2  0  0  0  0
 23 24  1  0  0  0  0
 24 20  2  0  0  0  0
  8  6  2  0  0  0  0
  5  9  2  0  0  0  0
 22 21  1  0  0  0  0
 23 19  2  0  0  0  0
M  END
>  <Mol_ID> (4,872)
4872

>  <Formula> (4,872)
C17H12N4O2S

>  <MolWeight> (4,872)
336.36778

>  <COMPOUND_NAME> (4,872)
WAY-615237

>  <BAR_CODE_NO> (4,872)
90449187

$$$$
WAY-615392
csChFnd80/06171916322D

 22 25  0  0  0  0  0  0  0  0999 V2000
   -0.2500   -0.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7333   -1.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7333   -0.2042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5750   -0.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5208   -1.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5208   -0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9875   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9875    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5750    0.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8125    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9875   -1.5875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5750    1.9833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833   -2.3250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8125   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2250    1.9833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2250    0.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2333   -1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2333   -0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9875    2.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8125    2.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9500   -1.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9500   -0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8  9  1  0  0  0  0
  9  7  2  0  0  0  0
 10 16  1  0  0  0  0
 11  4  2  0  0  0  0
 12  8  1  0  0  0  0
 13  2  1  0  0  0  0
 14  7  1  0  0  0  0
 15 10  1  0  0  0  0
 16 14  2  0  0  0  0
 17  5  1  0  0  0  0
 18  6  1  0  0  0  0
 19 12  1  0  0  0  0
 20 15  1  0  0  0  0
 21 17  2  0  0  0  0
 22 18  2  0  0  0  0
  5  6  2  0  0  0  0
 21 22  1  0  0  0  0
 10  8  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (4,873)
4873

>  <Formula> (4,873)
C17H13NO4

>  <MolWeight> (4,873)
295.28942

>  <COMPOUND_NAME> (4,873)
WAY-615392

>  <BAR_CODE_NO> (4,873)
90449344

$$$$
WAY-615400
csChFnd80/06171916322D

 32 37  0  0  0  0  0  0  0  0999 V2000
   -0.7458    1.3208    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0625    1.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2958    0.7083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167    0.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0458   -0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1250    0.1958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3792   -0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292   -1.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333   -0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2583    1.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5333    1.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167   -1.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458    2.6583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958   -0.6875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5333    2.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1875   -0.7625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792   -1.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3375   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3375   -2.7667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333   -1.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667    1.9958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2458    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8958   -2.0875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417   -1.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7375   -0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2458    2.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6333   -2.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9583    1.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5417   -0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2500   -1.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9583    2.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  2  0  0  0  0
  7  6  1  0  0  0  0
  8 12  1  0  0  0  0
  9  5  1  0  0  0  0
 10  1  1  0  0  0  0
 11  1  1  0  0  0  0
 12  9  2  0  0  0  0
 13 10  1  0  0  0  0
 14  5  2  0  0  0  0
 15 11  2  0  0  0  0
 16  7  1  0  0  0  0
 17  8  1  0  0  0  0
 18 14  1  0  0  0  0
 19 17  3  0  0  0  0
 20 18  2  0  0  0  0
 21 10  2  0  0  0  0
 22 11  1  0  0  0  0
 23 18  1  0  0  0  0
 24 16  1  0  0  0  0
 25 16  1  0  0  0  0
 26 15  1  0  0  0  0
 27 23  1  0  0  0  0
 28 22  2  0  0  0  0
 29 25  1  0  0  0  0
 30 24  1  0  0  0  0
 31 28  1  0  0  0  0
 32 29  1  0  0  0  0
 15 13  1  0  0  0  0
  9  4  1  0  0  0  0
 31 26  2  0  0  0  0
 20 12  1  0  0  0  0
  7  8  2  0  0  0  0
 32 30  1  0  0  0  0
M  END
>  <Mol_ID> (4,874)
4874

>  <Formula> (4,874)
C23H21N7O2

>  <MolWeight> (4,874)
427.45854

>  <COMPOUND_NAME> (4,874)
WAY-615400

>  <BAR_CODE_NO> (4,874)
90449353

$$$$
WAY-615466
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -0.7250   -1.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542   -0.9167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2125   -0.5042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7250    0.1625    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.9833    0.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9833   -1.9542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333    1.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6833    2.3458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7250    0.3958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792    1.3875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333   -2.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333    2.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6750   -3.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6833   -3.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292   -3.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333   -3.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2250   -4.4042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3875    3.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6750    2.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2250    3.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1625    4.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667    4.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  1  2  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  3  2  0  0  0  0
 11  8  2  0  0  0  0
 12  7  1  0  0  0  0
 13  9  1  0  0  0  0
 14 18  2  0  0  0  0
 15 12  1  0  0  0  0
 16 12  2  0  0  0  0
 17 15  2  0  0  0  0
 18 16  1  0  0  0  0
 19 14  1  0  0  0  0
 20 13  2  0  0  0  0
 21 13  1  0  0  0  0
 22 21  2  0  0  0  0
 23 20  1  0  0  0  0
 24 22  1  0  0  0  0
  5  3  1  0  0  0  0
 17 14  1  0  0  0  0
 24 23  2  0  0  0  0
M  END
>  <Mol_ID> (4,875)
4875

>  <Formula> (4,875)
C17H15N3O3S

>  <MolWeight> (4,875)
341.3843

>  <COMPOUND_NAME> (4,875)
WAY-615466

>  <BAR_CODE_NO> (4,875)
90449421

$$$$
WAY-615496
csChFnd80/06171916322D

 28 30  0  0  0  0  0  0  0  0999 V2000
    1.0417    2.0833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0417    3.7333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292    2.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0417    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542    3.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292    3.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542    2.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3833   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3833   -1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3833   -3.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1000   -1.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1000   -4.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292    0.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    3.7333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542    0.8458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3833   -2.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292    0.0208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1000    0.0208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1000   -2.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8125   -3.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8125   -2.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292   -4.1042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1000   -4.9292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3833    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3833    3.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0417   -3.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1000    2.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1000    3.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  7  1  0  0  0  0
  6  3  2  0  0  0  0
  7  1  1  0  0  0  0
  8 17  1  0  0  0  0
  9  8  1  0  0  0  0
 10 16  1  0  0  0  0
 11  9  2  0  0  0  0
 12 20  1  0  0  0  0
 13  4  1  0  0  0  0
 14  5  2  0  0  0  0
 15  4  2  0  0  0  0
 16 19  2  0  0  0  0
 17 13  1  0  0  0  0
 18  8  2  0  0  0  0
 19 11  1  0  0  0  0
 20 21  2  0  0  0  0
 21 19  1  0  0  0  0
 22 10  1  0  0  0  0
 23 12  1  0  0  0  0
 24  3  1  0  0  0  0
 25  6  1  0  0  0  0
 26 22  1  0  0  0  0
 27 24  2  0  0  0  0
 28 27  1  0  0  0  0
  2  6  1  0  0  0  0
 28 25  2  0  0  0  0
 12 10  2  0  0  0  0
M  END
>  <Mol_ID> (4,876)
4876

>  <Formula> (4,876)
C20H18N2O6

>  <MolWeight> (4,876)
382.36672

>  <COMPOUND_NAME> (4,876)
WAY-615496

>  <BAR_CODE_NO> (4,876)
90449452

$$$$
WAY-615535
csChFnd80/06171916322D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -0.0333   -1.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208   -2.3042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542   -1.8917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542   -2.7167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2875   -0.8542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333   -2.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667   -0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5625    1.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0125    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042    1.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0750   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000    2.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0500    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2875   -3.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8625    2.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583    2.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8583    1.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667   -4.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000    3.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042    3.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  5  1  0  0  0  0
  8  9  2  0  0  0  0
  9  7  1  0  0  0  0
 10  8  1  0  0  0  0
 11  7  2  0  0  0  0
 12 10  2  0  0  0  0
 13 12  1  0  0  0  0
 14  6  1  0  0  0  0
 15 10  1  0  0  0  0
 16 12  1  0  0  0  0
 17 13  1  0  0  0  0
 18 14  1  0  0  0  0
 19 20  1  0  0  0  0
 20 15  2  0  0  0  0
  4  6  2  0  0  0  0
 19 16  2  0  0  0  0
M  END
>  <Mol_ID> (4,877)
4877

>  <Formula> (4,877)
C14H15N3O2S

>  <MolWeight> (4,877)
289.3528

>  <COMPOUND_NAME> (4,877)
WAY-615535

>  <BAR_CODE_NO> (4,877)
90449491

$$$$
WAY-615565
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.5167   -0.6542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292    0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5167    0.6750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3000   -0.4042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3000    0.4208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4458    1.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2708    1.5250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2625   -1.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4375    2.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333    0.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083    2.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042    0.0083    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208    2.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083    0.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542   -1.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4458    0.0083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1958    2.6708    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.8125   -2.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1000   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5542   -2.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -3.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6 10  1  0  0  0  0
  7  6  1  0  0  0  0
  8  1  1  0  0  0  0
  9  7  1  0  0  0  0
 10 14  1  0  0  0  0
 11  6  2  0  0  0  0
 12  2  1  0  0  0  0
 13 11  1  0  0  0  0
 14 12  1  0  0  0  0
 15  8  2  0  0  0  0
 16 10  2  0  0  0  0
 17  9  1  0  0  0  0
 18  8  1  0  0  0  0
 19 15  1  0  0  0  0
 20 15  1  0  0  0  0
 21 18  2  0  0  0  0
 22 21  1  0  0  0  0
  3  5  1  0  0  0  0
 22 20  2  0  0  0  0
  9 13  2  0  0  0  0
M  END
>  <Mol_ID> (4,878)
4878

>  <Formula> (4,878)
C14H11BrN4OS2

>  <MolWeight> (4,878)
395.29734

>  <COMPOUND_NAME> (4,878)
WAY-615565

>  <BAR_CODE_NO> (4,878)
90449523

$$$$
WAY-615571
csChFnd80/06171916322D

 26 27  0  0  0  0  0  0  0  0999 V2000
   -0.0750    3.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333    4.3417    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.5625    2.8958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0750    2.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2625   -1.3542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042    3.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333    1.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167   -0.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042    2.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458   -1.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167    4.9542    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.2167    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1375    4.5125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167   -1.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1375    1.2708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3250   -0.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542   -2.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3500   -1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708   -2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458   -2.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1125   -3.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542   -4.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000   -3.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0500   -4.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  8  1  0  0  0  0
  6  1  2  0  0  0  0
  7  4  1  0  0  0  0
  8 15  1  0  0  0  0
  9  6  1  0  0  0  0
 10  5  1  0  0  0  0
 11  2  1  0  0  0  0
 12  7  1  0  0  0  0
 13  2  2  0  0  0  0
 14  5  1  0  0  0  0
 15 12  1  0  0  0  0
 16  7  2  0  0  0  0
 17  8  2  0  0  0  0
 18 14  1  0  0  0  0
 19 10  1  0  0  0  0
 20 10  1  0  0  0  0
 21 10  1  0  0  0  0
 22 18  1  0  0  0  0
 23 18  2  0  0  0  0
 24 23  1  0  0  0  0
 25 22  2  0  0  0  0
 26 24  2  0  0  0  0
  9  4  2  0  0  0  0
 26 25  1  0  0  0  0
M  END
>  <Mol_ID> (4,879)
4879

>  <Formula> (4,879)
C18H20N2O6

>  <MolWeight> (4,879)
360.3612

>  <COMPOUND_NAME> (4,879)
WAY-615571

>  <BAR_CODE_NO> (4,879)
90449529

$$$$
WAY-615630-A
csChFnd80/06171916322D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -0.6081    0.4603    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1044    0.8728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0373   -0.3647    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8169   -0.3647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8169    0.4603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9752    0.4728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1044    1.6978    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3206    0.8728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6081   -0.3647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6419   -0.2772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4919    1.1395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0373    0.4603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3206   -0.7772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7919    0.5603    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7498   -0.7772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0002   -0.2772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9919   -1.1730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2794   -1.5855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3331   -1.0355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3 13  1  0  0  0  0
  4  5  1  0  0  0  0
  5  2  1  0  0  0  0
  6 10  1  0  0  0  0
  7  2  2  0  0  0  0
  8  1  1  0  0  0  0
  9  1  1  0  0  0  0
 10  4  1  0  0  0  0
 11  6  2  0  0  0  0
 12  8  1  0  0  0  0
 13  9  1  0  0  0  0
 14  6  1  0  0  0  0
 15  3  1  0  0  0  0
 16  4  1  0  0  0  0
 17  4  1  0  0  0  0
 18 17  1  0  0  0  0
 19 16  1  0  0  0  0
  3 12  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (4,880)
4880

>  <Formula> (4,880)
C14H24N2O3

>  <MolWeight> (4,880)
268.35196

>  <COMPOUND_NAME> (4,880)
WAY-615630

>  <BAR_CODE_NO> (4,880)
90449590

$$$$
WAY-615654
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    4.2436   -2.3609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7481    1.5141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3728   -0.3026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9103   -2.3609    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0606    1.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6814    3.5849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4353   -4.3318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7353   -0.3359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5356   -0.4234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2814    3.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6228    3.6516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1606   -0.4734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8731    5.5349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3353   -6.4026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7436   -4.3026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4939   -0.5984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5731    3.3974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8314    7.6266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7353    5.7016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9936   -6.3401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5228   -8.4026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8603   -8.3693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7439    1.3474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4728    7.6974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  9  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  4  1  0  0  0  0
  9  8  1  0  0  0  0
 10  5  2  0  0  0  0
 11  6  2  0  0  0  0
 12  5  1  0  0  0  0
 13  6  1  0  0  0  0
 14  7  1  0  0  0  0
 15  7  1  0  0  0  0
 16 12  2  0  0  0  0
 17 10  1  0  0  0  0
 18 13  2  0  0  0  0
 19 11  1  0  0  0  0
 20 15  1  0  0  0  0
 21 14  1  0  0  0  0
 22 20  1  0  0  0  0
 23 16  1  0  0  0  0
 24 18  1  0  0  0  0
 22 21  1  0  0  0  0
 24 19  2  0  0  0  0
 23 17  2  0  0  0  0
M  END
>  <Mol_ID> (4,881)
4881

>  <Formula> (4,881)
C22H27NO

>  <MolWeight> (4,881)
321.45588

>  <COMPOUND_NAME> (4,881)
WAY-615654

>  <BAR_CODE_NO> (4,881)
90449614

$$$$
WAY-615668
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -1.3083    0.2833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7875    0.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3083    1.6125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208    0.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208    1.3583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5750   -1.5542    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -2.6125    0.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1500    0.0500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0958    0.2833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.9042   -1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4875   -2.3750    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.3250   -1.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0958    1.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8833    0.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8833    1.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5583   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9917   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1542   -1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5667   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792   -0.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3625   -0.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6 10  1  0  0  0  0
  7  2  1  0  0  0  0
  8  4  1  0  0  0  0
  9  7  1  0  0  0  0
 10 18  1  0  0  0  0
 11  6  1  0  0  0  0
 12  6  2  0  0  0  0
 13  7  2  0  0  0  0
 14  9  1  0  0  0  0
 15 13  1  0  0  0  0
 16  1  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  2  0  0  0  0
 19  8  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 20  1  0  0  0  0
 23 16  1  0  0  0  0
  3  5  1  0  0  0  0
 14 15  2  0  0  0  0
 10 17  2  0  0  0  0
M  END
>  <Mol_ID> (4,882)
4882

>  <Formula> (4,882)
C15H14N4O2S2

>  <MolWeight> (4,882)
346.42726

>  <COMPOUND_NAME> (4,882)
WAY-615668

>  <BAR_CODE_NO> (4,882)
90449629

$$$$
WAY-615672
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.2667   -0.2750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667    0.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458    0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792    0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667    2.2083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792    1.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458    1.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667   -1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5583   -0.2750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0917   -0.2750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7000    2.2083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792   -1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458   -1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792   -2.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458   -2.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667   -3.5750    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.1583    0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1583    2.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8750    0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8750    1.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  5  6  1  0  0  0  0
  6  4  1  0  0  0  0
  7  3  2  0  0  0  0
  8  1  1  0  0  0  0
  9  1  2  0  0  0  0
 10  1  2  0  0  0  0
 11  6  2  0  0  0  0
 12  8  1  0  0  0  0
 13  8  2  0  0  0  0
 14 16  2  0  0  0  0
 15 12  2  0  0  0  0
 16 13  1  0  0  0  0
 17 14  1  0  0  0  0
 18  3  1  0  0  0  0
 19  7  1  0  0  0  0
 20 18  2  0  0  0  0
 21 20  1  0  0  0  0
 15 14  1  0  0  0  0
  5  7  1  0  0  0  0
 21 19  2  0  0  0  0
M  END
>  <Mol_ID> (4,883)
4883

>  <Formula> (4,883)
C14H11ClN2O3S

>  <MolWeight> (4,883)
322.76674

>  <COMPOUND_NAME> (4,883)
WAY-615672

>  <BAR_CODE_NO> (4,883)
90449633

$$$$
WAY-615686
csChFnd80/06171916322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    2.4375   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1542    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1333    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7250    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1542   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1333    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4375   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2917    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8667   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8667   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5625    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5625   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2750   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1333    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2750   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4 12  1  0  0  0  0
  5  2  2  0  0  0  0
  6 10  2  0  0  0  0
  7  2  1  0  0  0  0
  8  4  1  0  0  0  0
  9  4  1  0  0  0  0
 10  1  1  0  0  0  0
 11  7  1  0  0  0  0
 12 11  1  0  0  0  0
 13  3  1  0  0  0  0
 14  6  1  0  0  0  0
 15  8  1  0  0  0  0
 16  8  2  0  0  0  0
 17  9  2  0  0  0  0
 18  9  1  0  0  0  0
 19 16  1  0  0  0  0
 20 17  1  0  0  0  0
 21 18  2  0  0  0  0
 22 15  2  0  0  0  0
 23 21  1  0  0  0  0
 24 19  2  0  0  0  0
 14 13  2  0  0  0  0
 23 20  2  0  0  0  0
 24 22  1  0  0  0  0
M  END
>  <Mol_ID> (4,884)
4884

>  <Formula> (4,884)
C20H19N3O

>  <MolWeight> (4,884)
317.38436

>  <COMPOUND_NAME> (4,884)
WAY-615686

>  <BAR_CODE_NO> (4,884)
90449647

$$$$
WAY-615693
csChFnd80/06171916322D

 26 30  0  0  0  0  0  0  0  0999 V2000
   -0.7458    1.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2625    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4083    1.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458    3.1458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5333    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5333    2.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542    2.3958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042    0.9708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8958    0.3875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1125   -1.8750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8917    1.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5583   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417   -2.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2625   -0.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0458   -1.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917   -1.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7083   -1.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3208    1.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3208    3.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667   -2.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042   -3.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542   -2.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5750   -2.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250   -3.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9042   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  2  0  0  0  0
  7  2  2  0  0  0  0
  8  3  1  0  0  0  0
  9  3  1  0  0  0  0
 10 17  1  0  0  0  0
 11  8  2  0  0  0  0
 12  9  1  0  0  0  0
 13 10  1  0  0  0  0
 14 12  1  0  0  0  0
 15 12  1  0  0  0  0
 16 14  1  0  0  0  0
 17 15  1  0  0  0  0
 18  5  1  0  0  0  0
 19  6  1  0  0  0  0
 20 13  1  0  0  0  0
 21 18  1  0  0  0  0
 22 20  1  0  0  0  0
 23 20  2  0  0  0  0
 24 23  1  0  0  0  0
 25 22  2  0  0  0  0
 26 24  2  0  0  0  0
  6  4  1  0  0  0  0
 21 19  1  0  0  0  0
 11  7  1  0  0  0  0
 16 10  1  0  0  0  0
 26 25  1  0  0  0  0
M  END
>  <Mol_ID> (4,885)
4885

>  <Formula> (4,885)
C21H24N4S

>  <MolWeight> (4,885)
364.50706

>  <COMPOUND_NAME> (4,885)
WAY-615693

>  <BAR_CODE_NO> (4,885)
90449654

$$$$
WAY-615704
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.7375   -1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7375   -0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167   -1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5167    0.0083    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167    0.1708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958   -1.0667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5167   -1.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042   -0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958   -0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4083    0.9958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4083    0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167   -2.3042    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.4083    2.6458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7750   -2.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8292   -0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958    1.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1208    1.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1208    2.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958    2.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  2  0  0  0  0
  7  1  1  0  0  0  0
  8  7  2  0  0  0  0
  9  6  1  0  0  0  0
 10 11  1  0  0  0  0
 11  9  1  0  0  0  0
 12  3  1  0  0  0  0
 13 18  1  0  0  0  0
 14  7  1  0  0  0  0
 15  8  1  0  0  0  0
 16 10  1  0  0  0  0
 17 10  1  0  0  0  0
 18 17  1  0  0  0  0
 19 16  1  0  0  0  0
  4  8  1  0  0  0  0
  9  5  2  0  0  0  0
 13 19  1  0  0  0  0
M  END
>  <Mol_ID> (4,886)
4886

>  <Formula> (4,886)
C13H16ClN3OS

>  <MolWeight> (4,886)
297.80364

>  <COMPOUND_NAME> (4,886)
WAY-615704

>  <BAR_CODE_NO> (4,886)
90449667

$$$$
WAY-615728-A
csChFnd80/06171916322D

 21 24  0  0  0  0  0  0  0  0999 V2000
    3.7917   -0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7917   -1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5750   -1.5542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0750   -0.0625    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5750   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0625   -0.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3625   -1.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0750    0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3625   -0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0750   -1.7125    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.3625    1.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.7625    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.9125    0.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7917    1.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8792   -0.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0750   -2.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3625    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7292    0.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7917    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2167   -0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0750    2.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  2  0  0  0  0
  7  9  1  0  0  0  0
  8  4  1  0  0  0  0
  9  4  1  0  0  0  0
 10  2  1  0  0  0  0
 11  8  2  0  0  0  0
 12 11  1  0  0  0  0
 13  5  1  0  0  0  0
 14  8  1  0  0  0  0
 15  6  1  0  0  0  0
 16 10  1  0  0  0  0
 17 11  1  0  0  0  0
 18 13  2  0  0  0  0
 19 14  2  0  0  0  0
 20 18  1  0  0  0  0
 21 19  1  0  0  0  0
  6  3  1  0  0  0  0
  7 10  1  0  0  0  0
 20 15  2  0  0  0  0
 21 17  2  0  0  0  0
M  END
>  <Mol_ID> (4,887)
4887

>  <Formula> (4,887)
C18H17ClN2

>  <MolWeight> (4,887)
296.79398

>  <COMPOUND_NAME> (4,887)
WAY-615728

>  <BAR_CODE_NO> (4,887)
90449693

$$$$
WAY-615757
csChFnd80/06171916322D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -0.2840    0.4693    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0410   -0.0683    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8215    0.1692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5493    0.4525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5493   -0.5850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8410    0.9693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8410   -1.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6410   -0.0683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8618   -0.0683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5840    1.0151    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2618    0.7900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3382    0.4693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9493    0.4525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9493   -0.5850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8590    0.1692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5493    1.4900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4410   -1.1308    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8215   -0.4475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8590   -0.4475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3382   -0.7475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4493    1.0025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5493   -1.6350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3840    0.4693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3840   -0.7475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9007    0.1692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9007   -0.4475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4 13  2  0  0  0  0
  5 14  1  0  0  0  0
  6  4  1  0  0  0  0
  7  5  1  0  0  0  0
  8  2  1  0  0  0  0
  9  5  2  0  0  0  0
 10  1  2  0  0  0  0
 11  1  2  0  0  0  0
 12  3  1  0  0  0  0
 13  8  1  0  0  0  0
 14  8  2  0  0  0  0
 15 12  2  0  0  0  0
 16  6  2  0  0  0  0
 17  7  2  0  0  0  0
 18  3  2  0  0  0  0
 19 20  2  0  0  0  0
 20 18  1  0  0  0  0
 21  6  1  0  0  0  0
 22  7  1  0  0  0  0
 23 15  1  0  0  0  0
 24 19  1  0  0  0  0
 25 23  2  0  0  0  0
 26 24  2  0  0  0  0
 19 15  1  0  0  0  0
  4  9  1  0  0  0  0
 26 25  1  0  0  0  0
M  END
>  <Mol_ID> (4,888)
4888

>  <Formula> (4,888)
C18H13NO6S

>  <MolWeight> (4,888)
371.36392

>  <COMPOUND_NAME> (4,888)
WAY-615757

>  <BAR_CODE_NO> (4,888)
90449723

$$$$
WAY-615758
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -0.5625    0.9208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0458    0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958   -0.5292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2625    0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0125   -0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0458    1.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8333    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8333    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667   -1.4875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6750    0.2083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6750    1.6375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667   -0.0875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0750   -1.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5458    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9125    0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    1.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5458    1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292   -2.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6292   -1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2625    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2625    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4375   -1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292   -2.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6917   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9  5  1  0  0  0  0
 10  4  1  0  0  0  0
 11  4  2  0  0  0  0
 12  5  2  0  0  0  0
 13  9  1  0  0  0  0
 14  7  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
 17 10  2  0  0  0  0
 18  8  1  0  0  0  0
 19 13  1  0  0  0  0
 20 13  2  0  0  0  0
 21 14  2  0  0  0  0
 22 18  2  0  0  0  0
 23 20  1  0  0  0  0
 24 19  2  0  0  0  0
 25 23  2  0  0  0  0
  7  8  2  0  0  0  0
 15 17  1  0  0  0  0
 21 22  1  0  0  0  0
 25 24  1  0  0  0  0
M  END
>  <Mol_ID> (4,889)
4889

>  <Formula> (4,889)
C19H15N5O

>  <MolWeight> (4,889)
329.3553

>  <COMPOUND_NAME> (4,889)
WAY-615758

>  <BAR_CODE_NO> (4,889)
90449724

$$$$
WAY-615763
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -2.0138   -0.5105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3966    0.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2621   -0.5105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3862   -1.1623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0138    0.7895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1517    0.1515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8862    0.1343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1621   -1.1623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2621    0.7895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5345   -0.4899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1483    0.1343    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6000    0.1377    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1483    0.8826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1483   -0.6105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3483    0.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7276   -0.5002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7276    0.7895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4793   -0.5002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4793    0.7895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8517    0.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8483   -1.1416    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8483    1.4377    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6034    0.1377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  2  0  0  0  0
 12 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (4,890)
4890

>  <Formula> (4,890)
C16H11Cl2NO3S

>  <MolWeight> (4,890)
368.23444

>  <COMPOUND_NAME> (4,890)
WAY-615763

>  <BAR_CODE_NO> (4,890)
90449729

$$$$
WAY-615771-A
csChFnd80/06171916322D

 30 34  0  0  0  0  0  0  0  0999 V2000
    6.5250    1.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5250    2.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500    0.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6250    2.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8792    1.5750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3542    0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2167    1.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7417    1.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6167    2.5875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.0875    2.5625    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.0750   -2.2625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2250    1.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1792    2.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6417    0.4833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4042    3.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4000    0.2250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -3.0875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0542   -0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6417   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1417   -0.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7167   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4667   -1.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8042   -1.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6917   -1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0750   -3.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3625   -1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3500   -0.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -2.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3625   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2750   -2.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  1  1  0  0  0  0
  8  1  1  0  0  0  0
  9  8  1  0  0  0  0
 10  7  1  0  0  0  0
 11 23  1  0  0  0  0
 12 10  1  0  0  0  0
 13  9  1  0  0  0  0
 14  3  2  0  0  0  0
 15  9  1  0  0  0  0
 16  3  1  0  0  0  0
 17 29  1  0  0  0  0
 18  6  1  0  0  0  0
 19  6  2  0  0  0  0
 20 18  2  0  0  0  0
 21 19  1  0  0  0  0
 22 21  2  0  0  0  0
 23 24  1  0  0  0  0
 24 27  1  0  0  0  0
 25 11  1  0  0  0  0
 26 11  1  0  0  0  0
 27 16  1  0  0  0  0
 28 26  1  0  0  0  0
 29 25  1  0  0  0  0
 30 22  1  0  0  0  0
 15 10  1  0  0  0  0
  2 13  1  0  0  0  0
 12  2  1  0  0  0  0
 20 22  1  0  0  0  0
 28 17  1  0  0  0  0
M  END
>  <Mol_ID> (4,891)
4891

>  <Formula> (4,891)
C25H37N3O2

>  <MolWeight> (4,891)
411.58018

>  <COMPOUND_NAME> (4,891)
WAY-615771

>  <BAR_CODE_NO> (4,891)
90449737

$$$$
WAY-632542
csChFnd80/06171916322D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.9125    0.6708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6958    0.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1500   -0.2875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.4250    1.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042   -1.0667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   -1.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667   -0.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2083   -0.7292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6958    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5667   -0.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9125    2.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4667   -2.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8250   -1.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2750   -2.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6292   -1.7542    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.4083    0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042    0.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5042    0.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4083    2.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1250    0.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1250    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  2  2  0  0  0  0
 10  3  2  0  0  0  0
 11  8  1  0  0  0  0
 12  5  1  0  0  0  0
 13  7  1  0  0  0  0
 14 15  1  0  0  0  0
 15 13  2  0  0  0  0
 16 14  1  0  0  0  0
 17  3  1  0  0  0  0
 18  4  1  0  0  0  0
 19  8  1  0  0  0  0
 20 10  1  0  0  0  0
 21 17  2  0  0  0  0
 22 21  1  0  0  0  0
 10 12  1  0  0  0  0
 22 20  2  0  0  0  0
 14 11  2  0  0  0  0
M  END
>  <Mol_ID> (4,892)
4892

>  <Formula> (4,892)
C18H18ClNO2

>  <MolWeight> (4,892)
315.79402

>  <COMPOUND_NAME> (4,892)
WAY-632542

>  <BAR_CODE_NO> (4,892)
90466948

$$$$
WAY-632557
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.2833   -0.0096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833    0.5814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7993   -0.3186    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7993    0.8904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2447   -0.3186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3153    0.5814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7697   -0.0096    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3153   -0.0096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3007   -0.3186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7993    1.4814    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2567   -0.9096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8167   -0.0096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8167    0.5814    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.8343    0.8904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8343   -0.3186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3007   -0.9096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3297   -0.3186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3593    0.5814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3593   -0.0096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8167   -1.2186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3297   -0.9096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  8  6  2  0  0  0  0
  7  5  1  0  0  0  0
  8  3  1  0  0  0  0
  9  7  1  0  0  0  0
 10  4  2  0  0  0  0
 11  5  2  0  0  0  0
 12  9  1  0  0  0  0
 13 12  1  0  0  0  0
 14  6  1  0  0  0  0
 15  8  1  0  0  0  0
  9 16  2  0  0  0  0
 17 12  2  0  0  0  0
 18 19  1  0  0  0  0
 19 15  2  0  0  0  0
 20 16  1  0  0  0  0
 20 21  2  0  0  0  0
  6  4  1  0  0  0  0
 14 18  2  0  0  0  0
 17 21  1  0  0  0  0
M  END
>  <Mol_ID> (4,893)
4893

>  <Formula> (4,893)
C16H10ClNO3

>  <MolWeight> (4,893)
299.7085

>  <COMPOUND_NAME> (4,893)
WAY-632557

>  <BAR_CODE_NO> (4,893)
90466963

$$$$
WAY-632567
csChFnd80/06171916322D

 26 29  0  0  0  0  0  0  0  0999 V2000
    0.3500   -0.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292    0.2333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333   -0.1792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333    0.6458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3500    0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042   -2.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042   -1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542   -1.8292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0917   -2.8667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833   -3.2792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0917   -3.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042   -3.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083    1.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042    1.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4125   -1.3917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542   -4.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8583    0.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4125    1.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542    2.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6833    2.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5250    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042    3.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6667    2.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4375    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1125    3.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  2  2  0  0  0  0
  6  8  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9  6  2  0  0  0  0
 10  6  1  0  0  0  0
 11  9  1  0  0  0  0
 12 10  1  0  0  0  0
 13  4  1  0  0  0  0
 14  5  1  0  0  0  0
 15  7  2  0  0  0  0
 16 12  1  0  0  0  0
 17 13  2  0  0  0  0
 18 13  1  0  0  0  0
 19 14  1  0  0  0  0
 20 14  2  0  0  0  0
 21 18  2  0  0  0  0
 22 17  1  0  0  0  0
 23 20  1  0  0  0  0
 24 19  2  0  0  0  0
 25 21  1  0  0  0  0
 26 23  2  0  0  0  0
  4  5  1  0  0  0  0
 11 12  2  0  0  0  0
 25 22  2  0  0  0  0
 26 24  1  0  0  0  0
M  END
>  <Mol_ID> (4,894)
4894

>  <Formula> (4,894)
C19H15N5OS

>  <MolWeight> (4,894)
361.4203

>  <COMPOUND_NAME> (4,894)
WAY-632567

>  <BAR_CODE_NO> (4,894)
90466973

$$$$
WAY-632613
csChFnd80/06171916322D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.3583    0.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583    1.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0708    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0708    2.1958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292    0.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7875    0.9583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292    2.0458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7875    1.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9125    1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792   -0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292   -0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3875   -1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0708   -0.2792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1917   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4917   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7417   -1.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1708   -2.0917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4417   -2.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5000    2.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9750   -1.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542   -2.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9  5  2  0  0  0  0
 10  5  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13  3  2  0  0  0  0
 14 16  1  0  0  0  0
 15 10  1  0  0  0  0
 16 15  2  0  0  0  0
 17 12  1  0  0  0  0
 18 14  1  0  0  0  0
 19  8  1  0  0  0  0
 20 17  1  0  0  0  0
 21 18  1  0  0  0  0
  7  9  1  0  0  0  0
  8  4  2  0  0  0  0
 14 12  2  0  0  0  0
M  END
>  <Mol_ID> (4,895)
4895

>  <Formula> (4,895)
C15H14N2O3S

>  <MolWeight> (4,895)
302.34826

>  <COMPOUND_NAME> (4,895)
WAY-632613

>  <BAR_CODE_NO> (4,895)
90467019

$$$$
WAY-632654
csChFnd80/06171916322D

 18 19  0  0  0  0  0  0  0  0999 V2000
    0.6292   -0.3667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292   -1.1917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833   -1.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958   -1.1917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958    2.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833   -2.4292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833    2.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292    2.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083    2.5208    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833    3.3458    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.6292   -2.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292   -3.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3417   -2.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  2  0  0  0  0
  5 10  1  0  0  0  0
  6  4  1  0  0  0  0
  7  8  1  0  0  0  0
  8  6  2  0  0  0  0
  9  3  1  0  0  0  0
 10  4  1  0  0  0  0
 11 13  1  0  0  0  0
 12  6  1  0  0  0  0
 13 12  2  0  0  0  0
 14  7  1  0  0  0  0
 15 11  1  0  0  0  0
 16  9  1  0  0  0  0
 17 16  1  0  0  0  0
 18 16  1  0  0  0  0
  5  3  1  0  0  0  0
 11  7  2  0  0  0  0
M  END
>  <Mol_ID> (4,896)
4896

>  <Formula> (4,896)
C12H13Cl2N3S

>  <MolWeight> (4,896)
302.22272

>  <COMPOUND_NAME> (4,896)
WAY-632654

>  <BAR_CODE_NO> (4,896)
90467061

$$$$
WAY-632683
csChFnd80/06171916322D

 28 30  0  0  0  0  0  0  0  0999 V2000
    0.1500   -1.3250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667   -0.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5792   -1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7250   -2.5625    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.8667   -2.5625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5792   -2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1500   -2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2833    0.3250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2833    1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0042   -2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5625   -0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2917   -2.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5625   -0.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2917   -0.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7250   -3.3875    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.4375   -2.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667   -0.0875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9958    1.5625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0042   -1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5625    1.5625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1500    0.3250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9958    2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7083    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7083    3.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4208    2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1458    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4208    4.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1458    3.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4 10  1  0  0  0  0
  5  7  2  0  0  0  0
  6  5  1  0  0  0  0
  7  1  1  0  0  0  0
  8 11  1  0  0  0  0
  9  8  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12  6  1  0  0  0  0
 13  1  1  0  0  0  0
 14  3  1  0  0  0  0
 15  4  1  0  0  0  0
 16  4  2  0  0  0  0
 17  2  2  0  0  0  0
 18  9  1  0  0  0  0
 19 14  2  0  0  0  0
 20  9  2  0  0  0  0
 21 11  2  0  0  0  0
 22 18  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 23  2  0  0  0  0
 26 25  1  0  0  0  0
 27 24  2  0  0  0  0
 28 26  2  0  0  0  0
  6  3  2  0  0  0  0
 19 10  1  0  0  0  0
 28 27  1  0  0  0  0
M  END
>  <Mol_ID> (4,897)
4897

>  <Formula> (4,897)
C18H15N5O5

>  <MolWeight> (4,897)
381.3422

>  <COMPOUND_NAME> (4,897)
WAY-632683

>  <BAR_CODE_NO> (4,897)
90467090

$$$$
WAY-632809
csChFnd80/06171916322D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -0.0083   -1.5167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7792   -1.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4875   -2.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7792   -2.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083   -2.8542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.2583   -0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2917   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0375    0.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917    1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4708    2.2333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292    2.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4417   -1.2917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3125   -2.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8125   -3.0250    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.1000   -0.2917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7250    3.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417   -3.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3917    1.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8875    2.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3625   -2.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0708   -3.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1750    3.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5333    3.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2917   -4.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9500    1.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6917    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5125   -4.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7875    3.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333    4.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375    4.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10 11  1  0  0  0  0
 11  9  2  0  0  0  0
 12  2  2  0  0  0  0
 13  3  2  0  0  0  0
 14  5  1  0  0  0  0
 15  7  2  0  0  0  0
 16 10  1  0  0  0  0
 17  5  1  0  0  0  0
 18  9  1  0  0  0  0
 19 11  1  0  0  0  0
 20 14  1  0  0  0  0
 21 14  1  0  0  0  0
 22 16  1  0  0  0  0
 23 16  2  0  0  0  0
 24 17  1  0  0  0  0
 25 18  2  0  0  0  0
 26 25  1  0  0  0  0
 27 24  1  0  0  0  0
 28 23  1  0  0  0  0
 29 22  2  0  0  0  0
 30 28  2  0  0  0  0
  4  5  1  0  0  0  0
 27 21  1  0  0  0  0
 26 19  2  0  0  0  0
 30 29  1  0  0  0  0
M  END
>  <Mol_ID> (4,898)
4898

>  <Formula> (4,898)
C23H25N3O3S

>  <MolWeight> (4,898)
423.5279

>  <COMPOUND_NAME> (4,898)
WAY-632809

>  <BAR_CODE_NO> (4,898)
90467220

$$$$
WAY-632873
csChFnd80/06171916322D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.2417    0.2333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667   -0.6542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417    1.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458    1.3375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042   -1.0750    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.1792   -1.9542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.7458    2.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292    1.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0750   -1.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5500   -0.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667    0.6250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0250    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000   -1.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1708   -0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292   -0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083    2.4833    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.3417   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1250   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833    0.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  9  1  0  0  0  0
  7  4  1  0  0  0  0
  8  3  2  0  0  0  0
  9  2  1  0  0  0  0
 10  1  2  0  0  0  0
 11  1  2  0  0  0  0
 12  8  1  0  0  0  0
 13  5  1  0  0  0  0
 14 15  1  0  0  0  0
 15  5  1  0  0  0  0
 16  6  1  0  0  0  0
 17  7  1  0  0  0  0
 18  6  1  0  0  0  0
 19 14  1  0  0  0  0
 20 14  1  0  0  0  0
  7 12  2  0  0  0  0
 13  6  1  0  0  0  0
 16 14  1  0  0  0  0
M  END
>  <Mol_ID> (4,899)
4899

>  <Formula> (4,899)
C14H20ClNO2S2

>  <MolWeight> (4,899)
333.8971

>  <COMPOUND_NAME> (4,899)
WAY-632873

>  <BAR_CODE_NO> (4,899)
90467288

$$$$
WAY-632884
csChFnd80/06171916322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    0.0917    1.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958    1.7875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8750    1.3750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8750    2.2083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0917    2.4583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1625    0.3333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292   -1.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3875   -0.2792    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.2208    1.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6875   -1.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708   -1.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292   -2.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4917   -1.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0417   -2.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792   -3.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7917   -2.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1917   -0.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6333    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6333    1.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3417   -3.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4583    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4583    1.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8708    1.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  8  1  0  0  0  0
  8  6  1  0  0  0  0
  9  2  1  0  0  0  0
 10  7  1  0  0  0  0
 11  7  2  0  0  0  0
 12 10  1  0  0  0  0
 13 10  2  0  0  0  0
 14 13  1  0  0  0  0
 15 12  2  0  0  0  0
 16 14  2  0  0  0  0
 17  8  1  0  0  0  0
 18  9  1  0  0  0  0
 19  9  2  0  0  0  0
 20 16  1  0  0  0  0
 21 18  2  0  0  0  0
 22 19  1  0  0  0  0
 23 22  2  0  0  0  0
  5  4  2  0  0  0  0
 23 21  1  0  0  0  0
 16 15  1  0  0  0  0
M  END
>  <Mol_ID> (4,900)
4900

>  <Formula> (4,900)
C17H16N4OS

>  <MolWeight> (4,900)
324.40014

>  <COMPOUND_NAME> (4,900)
WAY-632884

>  <BAR_CODE_NO> (4,900)
90467300

$$$$
WAY-632889
csChFnd80/06171916322D

 25 28  0  0  0  0  0  0  0  0999 V2000
    1.7917   -1.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042   -0.4542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917   -0.9917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542    0.1583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292   -1.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042   -0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6708    1.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9583    1.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3833    1.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6708    2.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3833    2.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9583    2.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375    1.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -2.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0958    1.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917    0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5250    1.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375    2.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917    1.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292   -2.5042    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.5250    2.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9542   -2.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9792   -3.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2875   -2.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8042   -3.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  9  7  1  0  0  0  0
 10 12  1  0  0  0  0
 11 10  2  0  0  0  0
 12 18  1  0  0  0  0
 13 17  2  0  0  0  0
 14  5  2  0  0  0  0
 15  9  2  0  0  0  0
 16  6  1  0  0  0  0
 17 19  1  0  0  0  0
 18 21  2  0  0  0  0
 19 16  1  0  0  0  0
 20 14  1  0  0  0  0
 21 17  1  0  0  0  0
 22  5  1  0  0  0  0
 23 14  1  0  0  0  0
 24 22  2  0  0  0  0
 25 24  1  0  0  0  0
  6  4  2  0  0  0  0
 25 23  2  0  0  0  0
 12  8  2  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <Mol_ID> (4,901)
4901

>  <Formula> (4,901)
C18H11BrN2O4

>  <MolWeight> (4,901)
399.19494

>  <COMPOUND_NAME> (4,901)
WAY-632889

>  <BAR_CODE_NO> (4,901)
90467305

$$$$
WAY-632896
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -1.0257   -0.6232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5943    0.1538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2117   -1.2022    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4557   -0.4402    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5117   -0.2722    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3003    1.0658    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1173    0.5018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0633   -0.7432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0743    0.4928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8177   -1.2022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0037   -0.6232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5853   -0.4492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9003    1.0598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0603   -1.3402    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6593    0.3668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5737   -0.4402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3023    1.5008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0613    0.8108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8813    1.3838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 12  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  2  2  0  0  0  0
  8  4  1  0  0  0  0
  9  2  1  0  0  0  0
 10  3  1  0  0  0  0
 11  5  1  0  0  0  0
 12  8  1  0  0  0  0
 13  9  2  0  0  0  0
 14  8  2  0  0  0  0
 15  9  1  0  0  0  0
 16 11  1  0  0  0  0
 17 13  1  0  0  0  0
 15 18  2  0  0  0  0
 19 18  1  0  0  0  0
 11 10  2  0  0  0  0
  6 13  1  0  0  0  0
 19 17  2  0  0  0  0
M  END
>  <Mol_ID> (4,902)
4902

>  <Formula> (4,902)
C14H13N3OS

>  <MolWeight> (4,902)
271.33752

>  <COMPOUND_NAME> (4,902)
WAY-632896

>  <BAR_CODE_NO> (4,902)
90467312

$$$$
WAY-632950
csChFnd80/06171916322D

 19 21  0  0  0  0  0  0  0  0999 V2000
    1.7972    2.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6225    1.2169    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2627    3.6401    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0016    1.2169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0879    4.7053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4233    2.3862    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.7688    2.4338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4319    5.9857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4618    4.9540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1674    2.3703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4160    6.9857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6522    6.3455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3243    3.5237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6577    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8711    3.5872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0280    6.0140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2661    4.8041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1428    4.4602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5 13  2  0  0  0  0
  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8 16  2  0  0  0  0
  9  5  1  0  0  0  0
 10  7  2  0  0  0  0
 11  8  1  0  0  0  0
 12  9  1  0  0  0  0
 13 15  1  0  0  0  0
 14  4  2  0  0  0  0
 15 10  1  0  0  0  0
 16 17  1  0  0  0  0
 17 15  2  0  0  0  0
 18  3  1  0  0  0  0
 19  6  1  0  0  0  0
 19 18  1  0  0  0  0
  8  5  1  0  0  0  0
 12 11  1  0  0  0  0
M  END
>  <Mol_ID> (4,903)
4903

>  <Formula> (4,903)
C13H12N2O3S

>  <MolWeight> (4,903)
276.31098

>  <COMPOUND_NAME> (4,903)
WAY-632950

>  <BAR_CODE_NO> (4,903)
90467366

$$$$
WAY-632952
csChFnd80/06171916322D

 33 36  0  0  0  0  0  0  0  0999 V2000
   -1.4958   -0.5375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2167    1.9375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833   -0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4958    0.2875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.2125   -0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2125    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5042    1.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9250   -0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9250    0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9292    2.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6292    1.2250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708   -0.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8042    2.6583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833   -1.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833    1.5250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708    0.2875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7917    1.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5042    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7917    0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667    1.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6417    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6375    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6375   -0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3625    0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4958   -2.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708   -2.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3583   -0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3583    0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708   -3.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4958   -3.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833   -3.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  8  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  4  1  0  0  0  0
  8 18  1  0  0  0  0
  9  5  1  0  0  0  0
 10  9  2  0  0  0  0
 11  2  2  0  0  0  0
 12  2  2  0  0  0  0
 13  3  2  0  0  0  0
 14  2  1  0  0  0  0
 15  3  1  0  0  0  0
 16  7  2  0  0  0  0
 17  7  1  0  0  0  0
 18 21  2  0  0  0  0
 19 20  1  0  0  0  0
 20 22  2  0  0  0  0
 21 22  1  0  0  0  0
 22 26  1  0  0  0  0
 23 17  1  0  0  0  0
 24 10  1  0  0  0  0
 25  9  1  0  0  0  0
 26 23  1  0  0  0  0
 27 15  1  0  0  0  0
 28 15  2  0  0  0  0
 29 25  2  0  0  0  0
 30 29  1  0  0  0  0
 31 28  1  0  0  0  0
 32 27  2  0  0  0  0
 33 31  2  0  0  0  0
 10  6  1  0  0  0  0
 24 30  2  0  0  0  0
 33 32  1  0  0  0  0
  8 19  2  0  0  0  0
M  END
>  <Mol_ID> (4,904)
4904

>  <Formula> (4,904)
C25H25N3O4S

>  <MolWeight> (4,904)
463.5487

>  <COMPOUND_NAME> (4,904)
WAY-632952

>  <BAR_CODE_NO> (4,904)
90467368

$$$$
WAY-632963-A
csChFnd80/06171916322D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.1774   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5351   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8940   -0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1774    0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5351    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8940    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2518    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2518   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1774   -2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9643    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9643   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6065    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6065    1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6768    0.4125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3232    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3232    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  6  2  0  0  0  0
  5  2  2  0  0  0  0
  6  3  1  0  0  0  0
  7  5  1  0  0  0  0
  8  2  1  0  0  0  0
  9  1  2  0  0  0  0
 10  7  2  0  0  0  0
 11  8  2  0  0  0  0
 12  6  1  0  0  0  0
 13 12  1  0  0  0  0
 14 10  1  0  0  0  0
 15 13  1  0  0  0  0
 16 15  1  0  0  0  0
  5  4  1  0  0  0  0
 11 10  1  0  0  0  0
M  END
>  <Mol_ID> (4,905)
4905

>  <Formula> (4,905)
C11H12ClN3O

>  <MolWeight> (4,905)
237.68548

>  <COMPOUND_NAME> (4,905)
WAY-632963

>  <BAR_CODE_NO> (4,905)
90467379

$$$$
WAY-632971
csChFnd80/06171916332D

 16 18  0  0  0  0  0  0  0  0999 V2000
    0.5167   -0.6750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167    0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958   -1.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958    0.5625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083   -0.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083    0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3250    1.3833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9917    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292    1.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5417    0.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958   -1.9125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.6208   -1.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6208    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3333   -0.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3333    0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  2  0  0  0  0
  6  2  1  0  0  0  0
  7  5  1  0  0  0  0
  8  6  1  0  0  0  0
  9  6  2  0  0  0  0
 10  8  1  0  0  0  0
 11  9  1  0  0  0  0
 12  3  1  0  0  0  0
 13  5  1  0  0  0  0
 14  7  1  0  0  0  0
 15 13  2  0  0  0  0
 16 15  1  0  0  0  0
  7  4  2  0  0  0  0
 10 11  2  0  0  0  0
 14 16  2  0  0  0  0
M  END
>  <Mol_ID> (4,906)
4906

>  <Formula> (4,906)
C12H7ClN2S

>  <MolWeight> (4,906)
246.71538

>  <COMPOUND_NAME> (4,906)
WAY-632971

>  <BAR_CODE_NO> (4,906)
90467387

$$$$
WAY-633018-A
csChFnd80/06171916332D

 28 31  0  0  0  0  0  0  0  0999 V2000
    5.2542   -0.8292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4667   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2542   -2.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4667   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7417   -1.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5125   -0.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6625    1.9708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5625   -1.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7542   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5542    3.1958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7542   -2.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5917   -2.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9542    0.5708    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.2167    1.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0417   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4125   -3.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8542    1.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9167    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3042    2.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3667    3.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0417   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9000   -2.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7500   -3.7542    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3292   -2.3167    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.1542    0.3958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0042    3.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    4.2417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917    3.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  2  0  0  0  0
  3  5  2  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7 14  1  0  0  0  0
  8  5  1  0  0  0  0
  9  4  1  0  0  0  0
 10 20  1  0  0  0  0
 11  2  1  0  0  0  0
 12  3  1  0  0  0  0
 13  6  1  0  0  0  0
 14 13  1  0  0  0  0
 15 21  1  0  0  0  0
 16 22  1  0  0  0  0
 17  7  1  0  0  0  0
 18  7  1  0  0  0  0
 19 17  1  0  0  0  0
 20 18  1  0  0  0  0
 21  9  2  0  0  0  0
 22  8  2  0  0  0  0
 23 16  1  0  0  0  0
 24 15  1  0  0  0  0
 25 13  1  0  0  0  0
 26 10  1  0  0  0  0
 27 28  1  0  0  0  0
 28 26  1  0  0  0  0
  3  2  1  0  0  0  0
 16 12  2  0  0  0  0
 15 11  2  0  0  0  0
 19 10  1  0  0  0  0
M  END
>  <Mol_ID> (4,907)
4907

>  <Formula> (4,907)
C21H25Cl2N3O2

>  <MolWeight> (4,907)
422.3481

>  <COMPOUND_NAME> (4,907)
WAY-633018

>  <BAR_CODE_NO> (4,907)
90467434

$$$$
WAY-633074
csChFnd80/06171916332D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.8125    0.7208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2250    1.4333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8125    2.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0125    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0125    2.1458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2250    2.8583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0500    2.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2500   -2.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4250    1.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7667    2.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7667    3.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6625   -2.1417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4250   -2.8542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0125   -0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2500   -1.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4250   -1.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6625   -0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6625   -3.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2500   -4.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  2  0  0  0  0
  5 10  1  0  0  0  0
  6  3  1  0  0  0  0
  7  6  1  0  0  0  0
  8 13  1  0  0  0  0
  9  4  1  0  0  0  0
 10  4  1  0  0  0  0
 11  7  1  0  0  0  0
 12  7  1  0  0  0  0
 13 17  1  0  0  0  0
 14  8  2  0  0  0  0
 15  9  1  0  0  0  0
 16  9  2  0  0  0  0
 17 19  2  0  0  0  0
 18 15  2  0  0  0  0
 19 16  1  0  0  0  0
 20  8  1  0  0  0  0
 21 20  1  0  0  0  0
  5  3  1  0  0  0  0
 18 17  1  0  0  0  0
 12 11  1  0  0  0  0
M  END
>  <Mol_ID> (4,908)
4908

>  <Formula> (4,908)
C15H18N4OS

>  <MolWeight> (4,908)
302.39462

>  <COMPOUND_NAME> (4,908)
WAY-633074

>  <BAR_CODE_NO> (4,908)
90467491

$$$$
WAY-633457
csChFnd80/06171916332D

 33 37  0  0  0  0  0  0  0  0999 V2000
    0.6500   -0.8292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9625    1.3083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042   -1.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9625    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1083   -1.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917   -2.1542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2458    1.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208   -1.9875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2458    0.0708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5333    1.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167   -0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5333    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0250   -1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7458    0.2250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8208   -0.7542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7458    1.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2333    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2458    2.5458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042    0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1792   -0.5167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8208    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042   -2.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667    1.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6625   -1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792    1.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5750    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2167   -0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3292   -1.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0042   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1875    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  1  0  0  0  0
  3  1  1  0  0  0  0
  4  9  2  0  0  0  0
  5  1  1  0  0  0  0
  6  3  2  0  0  0  0
  7 10  1  0  0  0  0
  8  5  2  0  0  0  0
  9 12  1  0  0  0  0
 10 12  2  0  0  0  0
 11  1  1  0  0  0  0
 12 22  1  0  0  0  0
 13  3  1  0  0  0  0
 14  4  1  0  0  0  0
 15  5  1  0  0  0  0
 16  2  1  0  0  0  0
 17 14  1  0  0  0  0
 18  7  2  0  0  0  0
 19 11  2  0  0  0  0
 20 11  1  0  0  0  0
 21 23  1  0  0  0  0
 22 15  1  0  0  0  0
 23 13  2  0  0  0  0
 24 13  1  0  0  0  0
 25 28  1  0  0  0  0
 26 31  1  0  0  0  0
 27 19  1  0  0  0  0
 28 20  2  0  0  0  0
 29 20  1  0  0  0  0
 30 19  1  0  0  0  0
 31 24  2  0  0  0  0
 32 30  1  0  0  0  0
 33 29  1  0  0  0  0
  6  8  1  0  0  0  0
 25 27  2  0  0  0  0
 26 21  2  0  0  0  0
  2  4  1  0  0  0  0
 17 16  2  0  0  0  0
M  END
>  <Mol_ID> (4,909)
4909

>  <Formula> (4,909)
C24H22N6OS2

>  <MolWeight> (4,909)
474.60108

>  <COMPOUND_NAME> (4,909)
WAY-633457

>  <BAR_CODE_NO> (4,909)
90467881

$$$$
WAY-633468
csChFnd80/06171916332D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -1.7458    0.3583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7292   -1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5708    0.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3333    1.0708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458    1.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167   -0.4042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167   -1.7417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9833    1.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0958   -1.0667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3333   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5708    1.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7167   -1.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9833   -0.3542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3333    2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0958    0.3583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7167   -0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4292   -1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4292   -0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8083    1.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9833    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1417   -1.8917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8542   -1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2208    1.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8083    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5750   -1.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  9  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  2  2  0  0  0  0
  7  2  1  0  0  0  0
  8  3  1  0  0  0  0
  9 13  1  0  0  0  0
 10  1  1  0  0  0  0
 11  5  1  0  0  0  0
 12  7  1  0  0  0  0
 13 10  1  0  0  0  0
 14  6  1  0  0  0  0
 15 12  1  0  0  0  0
 16  3  2  0  0  0  0
 17  5  2  0  0  0  0
 18 13  2  0  0  0  0
 19 14  1  0  0  0  0
 20 15  2  0  0  0  0
 21 19  2  0  0  0  0
 22  8  1  0  0  0  0
 23 11  1  0  0  0  0
 24 20  1  0  0  0  0
 25 24  1  0  0  0  0
 26 22  2  0  0  0  0
 27 23  2  0  0  0  0
 28 25  1  0  0  0  0
 11  8  2  0  0  0  0
 26 27  1  0  0  0  0
 12 14  2  0  0  0  0
 21 20  1  0  0  0  0
M  END
>  <Mol_ID> (4,910)
4910

>  <Formula> (4,910)
C19H16N4O4S

>  <MolWeight> (4,910)
396.41974

>  <COMPOUND_NAME> (4,910)
WAY-633468

>  <BAR_CODE_NO> (4,910)
90467893

$$$$
WAY-633541
csChFnd80/06171916332D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -1.0750   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583   -0.8542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667   -0.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7875   -0.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0083    0.2250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4875   -0.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2208   -0.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0083   -1.1042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5083   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2208   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2125    1.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9250    1.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667   -0.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0750   -2.0917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7875   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5083    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9250    2.4458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4917   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792    1.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2125    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4917    1.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6417    1.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3 17  1  0  0  0  0
  4  1  1  0  0  0  0
  5 10  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8  7  1  0  0  0  0
  9  4  2  0  0  0  0
 10 20  1  0  0  0  0
 11  3  1  0  0  0  0
 12  2  1  0  0  0  0
 13  2  1  0  0  0  0
 14 25  1  0  0  0  0
 15 14  1  0  0  0  0
 16 12  1  0  0  0  0
 17 13  1  0  0  0  0
 18  1  2  0  0  0  0
 19  4  1  0  0  0  0
 20 19  2  0  0  0  0
 21 15  2  0  0  0  0
 22 11  2  0  0  0  0
 23 11  1  0  0  0  0
 24 22  1  0  0  0  0
 25 23  2  0  0  0  0
 26 15  1  0  0  0  0
 16  3  1  0  0  0  0
 10  7  2  0  0  0  0
  6  5  2  0  0  0  0
 14 24  2  0  0  0  0
M  END
>  <Mol_ID> (4,911)
4911

>  <Formula> (4,911)
C20H19N3O2S

>  <MolWeight> (4,911)
365.44876

>  <COMPOUND_NAME> (4,911)
WAY-633541

>  <BAR_CODE_NO> (4,911)
90467966

$$$$
WAY-633152
csChFnd80/06171916332D

 31 35  0  0  0  0  0  0  0  0999 V2000
    1.0042   -2.6792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7417   -1.8917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833   -1.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333   -2.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292   -3.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1083    3.1208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1083    1.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2292   -1.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8958    2.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8958    2.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8917   -0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6750   -3.1542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8292   -2.6917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1917    2.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2250    1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3792    0.1958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5625   -1.2250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0417    0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0750   -0.3875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5292    1.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1417    3.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0875   -3.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2500   -3.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6083    3.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6083    1.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4083    4.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708   -3.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083   -4.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3250    2.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3250    2.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6  8  1  0  0  0  0
  7 16  1  0  0  0  0
  8 15  1  0  0  0  0
  9  2  1  0  0  0  0
 10 11  2  0  0  0  0
 11  7  1  0  0  0  0
 12  9  1  0  0  0  0
 13  1  2  0  0  0  0
 14  1  2  0  0  0  0
 15 21  2  0  0  0  0
 16 19  2  0  0  0  0
 17 12  1  0  0  0  0
 18  3  2  0  0  0  0
 19 17  1  0  0  0  0
 20 12  2  0  0  0  0
 21 19  1  0  0  0  0
 22  6  1  0  0  0  0
 23  4  1  0  0  0  0
 24  5  1  0  0  0  0
 25 10  1  0  0  0  0
 26 11  1  0  0  0  0
 27 22  1  0  0  0  0
 28 29  1  0  0  0  0
 29 24  2  0  0  0  0
 30 26  2  0  0  0  0
 31 30  1  0  0  0  0
  4  3  1  0  0  0  0
 28 23  2  0  0  0  0
  8  7  2  0  0  0  0
 10  6  1  0  0  0  0
 31 25  2  0  0  0  0
M  END
>  <Mol_ID> (4,912)
4912

>  <Formula> (4,912)
C23H19N3O4S

>  <MolWeight> (4,912)
433.47966

>  <COMPOUND_NAME> (4,912)
WAY-633152

>  <BAR_CODE_NO> (4,912)
90467570

$$$$
WAY-633210
csChFnd80/06171916332D

 16 18  0  0  0  0  0  0  0  0999 V2000
    0.0167   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8083   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208    0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292    0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8083    0.9333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0458    0.2125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4583   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167    0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1708   -0.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4583   -1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542    0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6667   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6667    0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4917    0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4917   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9042    0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  2  0  0  0  0
  5  8  1  0  0  0  0
  6  3  1  0  0  0  0
  7  6  1  0  0  0  0
  8  4  1  0  0  0  0
  9  7  1  0  0  0  0
 10  7  1  0  0  0  0
 11  4  1  0  0  0  0
 12 11  1  0  0  0  0
 13 11  2  0  0  0  0
 14 13  1  0  0  0  0
 15 12  2  0  0  0  0
 16 14  2  0  0  0  0
  5  3  1  0  0  0  0
 16 15  1  0  0  0  0
 10  9  1  0  0  0  0
M  END
>  <Mol_ID> (4,913)
4913

>  <Formula> (4,913)
C12H13N3S

>  <MolWeight> (4,913)
231.31672

>  <COMPOUND_NAME> (4,913)
WAY-633210

>  <BAR_CODE_NO> (4,913)
90467631

$$$$
WAY-633220
csChFnd80/06171916332D

 27 29  0  0  0  0  0  0  0  0999 V2000
    0.4750   -2.3792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4750   -3.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4750   -1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4750    0.9208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3500   -2.3792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3000   -2.3792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458    2.1583    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.9583    2.5708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9583    0.9208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4750   -4.8542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1875   -1.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458   -1.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4750    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458   -3.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1875   -3.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9583    3.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1875   -0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458   -0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1875   -4.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458   -4.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4750    2.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458    3.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6708    3.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6708    4.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458    4.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9583    5.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  5  1  0  0  0  0
  4  1  1  0  0  0  0
  5 14  1  0  0  0  0
  6  1  2  0  0  0  0
  7  1  2  0  0  0  0
  8  3  1  0  0  0  0
  9  8  1  0  0  0  0
 10  3  2  0  0  0  0
 11 20  1  0  0  0  0
 12  4  2  0  0  0  0
 13  4  1  0  0  0  0
 14 19  1  0  0  0  0
 15  2  1  0  0  0  0
 16  2  1  0  0  0  0
 17  9  1  0  0  0  0
 18 12  1  0  0  0  0
 19 13  2  0  0  0  0
 20 16  1  0  0  0  0
 21 15  1  0  0  0  0
 22  8  1  0  0  0  0
 23 17  1  0  0  0  0
 24 17  2  0  0  0  0
 25 24  1  0  0  0  0
 26 23  2  0  0  0  0
 27 25  2  0  0  0  0
 14 18  2  0  0  0  0
 11 21  1  0  0  0  0
 27 26  1  0  0  0  0
M  END
>  <Mol_ID> (4,914)
4914

>  <Formula> (4,914)
C19H22N2O5S

>  <MolWeight> (4,914)
390.45338

>  <COMPOUND_NAME> (4,914)
WAY-633220

>  <BAR_CODE_NO> (4,914)
90467641

$$$$
WAY-633228
csChFnd80/06171916332D

 33 36  0  0  0  0  0  0  0  0999 V2000
    0.1792    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9625    2.2750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0750    1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9625    3.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4750    0.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083    2.6875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6083   -3.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1792    3.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4125   -3.6417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667   -0.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167   -1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6292    3.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2875   -1.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458   -2.5167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3500   -2.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792    0.7958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0583   -4.0792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5875   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458   -1.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0333   -3.9875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5417    4.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667   -2.1667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2125    4.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0500    3.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9667    4.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9708   -3.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6708   -4.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4750   -4.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7708   -3.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6292    5.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8750   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7 16  1  0  0  0  0
  8  6  1  0  0  0  0
  9  7  1  0  0  0  0
 10  5  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13  4  1  0  0  0  0
 14 20  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17  5  2  0  0  0  0
 18  7  2  0  0  0  0
 19 10  1  0  0  0  0
 20 19  2  0  0  0  0
 21 30  1  0  0  0  0
 22 13  1  0  0  0  0
 23 13  2  0  0  0  0
 24 12  1  0  0  0  0
 25 23  1  0  0  0  0
 26 22  2  0  0  0  0
 27 25  2  0  0  0  0
 28  9  1  0  0  0  0
 29  9  1  0  0  0  0
 30 29  1  0  0  0  0
 31 28  1  0  0  0  0
 32 27  1  0  0  0  0
 33 24  1  0  0  0  0
  8  4  2  0  0  0  0
 14 12  2  0  0  0  0
 27 26  1  0  0  0  0
 21 31  1  0  0  0  0
M  END
>  <Mol_ID> (4,915)
4915

>  <Formula> (4,915)
C24H25N3O5S

>  <MolWeight> (4,915)
467.5374

>  <COMPOUND_NAME> (4,915)
WAY-633228

>  <BAR_CODE_NO> (4,915)
90467649

$$$$
WAY-633277
csChFnd80/06171916332D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.0292   -0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5125   -1.1167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042   -0.4500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5125    0.2208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083    0.2625    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.2917   -0.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333    0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2917   -0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4458    0.9833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4458   -0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042    0.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333   -1.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2708   -0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292    0.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083    1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6833   -1.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4417    1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042    2.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4458   -1.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2708   -1.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292    2.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  7  5  1  0  0  0  0
  8  2  1  0  0  0  0
  9  7  2  0  0  0  0
 10  7  1  0  0  0  0
 11  5  1  0  0  0  0
 12  2  1  0  0  0  0
 13 10  2  0  0  0  0
 14 10  1  0  0  0  0
 15 11  1  0  0  0  0
 16 11  2  0  0  0  0
 17 14  2  0  0  0  0
 18 15  2  0  0  0  0
 19 16  1  0  0  0  0
 20 13  1  0  0  0  0
 21 17  1  0  0  0  0
 22 19  2  0  0  0  0
  6  8  2  0  0  0  0
 22 18  1  0  0  0  0
 21 20  2  0  0  0  0
M  END
>  <Mol_ID> (4,916)
4916

>  <Formula> (4,916)
C17H15N3OS

>  <MolWeight> (4,916)
309.3855

>  <COMPOUND_NAME> (4,916)
WAY-633277

>  <BAR_CODE_NO> (4,916)
90467698

$$$$
WAY-633281
csChFnd80/06171916332D

 29 32  0  0  0  0  0  0  0  0999 V2000
    1.0667    2.6083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792    2.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083    2.1958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667    1.7833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792    1.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8750   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458   -3.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1875   -2.2292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3250   -0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6167   -2.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2500   -3.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5833   -3.9375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792    0.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0250    3.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1125   -3.6250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8625   -2.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833   -0.8292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4083   -3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5750   -3.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0250    0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6792   -1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667   -2.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833    3.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792    4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2292   -1.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9792   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3250    5.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0375    4.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833    5.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  8 10  1  0  0  0  0
  9 13  1  0  0  0  0
 10  6  2  0  0  0  0
 11  7  1  0  0  0  0
 12 11  1  0  0  0  0
 13 20  1  0  0  0  0
 14  2  1  0  0  0  0
 15  7  2  0  0  0  0
 16 11  2  0  0  0  0
 17  9  2  0  0  0  0
 18 12  1  0  0  0  0
 19 16  1  0  0  0  0
 20  5  1  0  0  0  0
 21  6  1  0  0  0  0
 22 10  1  0  0  0  0
 23 14  2  0  0  0  0
 24 14  1  0  0  0  0
 25 21  2  0  0  0  0
 26 25  1  0  0  0  0
 27 24  2  0  0  0  0
 28 23  1  0  0  0  0
 29 27  1  0  0  0  0
  3  5  1  0  0  0  0
 29 28  2  0  0  0  0
 26 22  2  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (4,917)
4917

>  <Formula> (4,917)
C21H15N3O5

>  <MolWeight> (4,917)
389.3609

>  <COMPOUND_NAME> (4,917)
WAY-633281

>  <BAR_CODE_NO> (4,917)
90467702

$$$$
WAY-633310
csChFnd80/06171916332D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -1.6708    2.8083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833    2.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6708    1.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4500    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542   -0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4500    2.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125   -1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0125    0.1750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3500   -0.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5167   -1.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7750   -2.1792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4125    0.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5792   -2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1625    1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1625    2.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8375   -3.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1292   -1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8833    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8833    2.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9417   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6417   -3.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1917   -2.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  6  2  0  0  0  0
  5  9  1  0  0  0  0
  6  1  1  0  0  0  0
  7  5  1  0  0  0  0
  8  5  2  0  0  0  0
  9 11  1  0  0  0  0
 10  7  1  0  0  0  0
 11 13  1  0  0  0  0
 12 10  1  0  0  0  0
 13  3  1  0  0  0  0
 14 12  1  0  0  0  0
 15  4  1  0  0  0  0
 16  6  1  0  0  0  0
 17 14  1  0  0  0  0
 18 14  2  0  0  0  0
 19 20  1  0  0  0  0
 20 16  2  0  0  0  0
 21 18  1  0  0  0  0
 22 17  2  0  0  0  0
 23 21  2  0  0  0  0
  4  3  1  0  0  0  0
 19 15  2  0  0  0  0
 23 22  1  0  0  0  0
M  END
>  <Mol_ID> (4,918)
4918

>  <Formula> (4,918)
C19H20N2O2

>  <MolWeight> (4,918)
308.3743

>  <COMPOUND_NAME> (4,918)
WAY-633310

>  <BAR_CODE_NO> (4,918)
90467731

$$$$
WAY-633334
csChFnd80/06171916332D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.7667   -1.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542   -2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6667   -2.3167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5250   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0792   -1.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708    1.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708    2.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583    1.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583    2.7958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542    1.5583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542   -0.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1583    2.6458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542    2.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6458    1.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1583    1.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583    0.3208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583   -1.3292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417   -2.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9000   -1.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  8  2  0  0  0  0
  7  6  1  0  0  0  0
  8 16  1  0  0  0  0
  9 13  1  0  0  0  0
 10  8  1  0  0  0  0
 11  1  1  0  0  0  0
 12  7  1  0  0  0  0
 13 10  2  0  0  0  0
 14 15  2  0  0  0  0
 15  6  1  0  0  0  0
 16 17  1  0  0  0  0
 17 11  1  0  0  0  0
 18 11  2  0  0  0  0
 19  3  1  0  0  0  0
 20  2  1  0  0  0  0
 21  5  1  0  0  0  0
  3  5  1  0  0  0  0
  9  7  2  0  0  0  0
 14 12  1  0  0  0  0
M  END
>  <Mol_ID> (4,919)
4919

>  <Formula> (4,919)
C15H15N3O2S

>  <MolWeight> (4,919)
301.3635

>  <COMPOUND_NAME> (4,919)
WAY-633334

>  <BAR_CODE_NO> (4,919)
90467755

$$$$
WAY-633345
csChFnd80/06171916332D

 29 32  0  0  0  0  0  0  0  0999 V2000
    2.1167   -1.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4042   -1.0917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458    0.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6875   -2.3292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6875   -1.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167   -2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4583    2.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458    2.6208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4583    1.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4042   -2.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0250    2.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0250    1.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458    0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708    0.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8292   -1.0917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708    2.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0250   -0.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0250   -1.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6875    2.6208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8833    1.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8833    2.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8292   -2.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4042   -3.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6875    0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6000    2.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8292   -3.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6875    0.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167   -3.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6000    3.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3 13  1  0  0  0  0
  4 10  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  9  2  0  0  0  0
  8 11  1  0  0  0  0
  9  3  1  0  0  0  0
 10  6  2  0  0  0  0
 11 12  1  0  0  0  0
 12  3  2  0  0  0  0
 13 17  1  0  0  0  0
 14  9  1  0  0  0  0
 15  1  2  0  0  0  0
 16  7  1  0  0  0  0
 17 18  1  0  0  0  0
 18  5  1  0  0  0  0
 19 11  2  0  0  0  0
 20 14  2  0  0  0  0
 21 20  1  0  0  0  0
 22  6  1  0  0  0  0
 23 10  1  0  0  0  0
 24 17  1  0  0  0  0
 25 21  1  0  0  0  0
 26 22  2  0  0  0  0
 27 24  1  0  0  0  0
 28 26  1  0  0  0  0
 29 25  1  0  0  0  0
  4  5  2  0  0  0  0
 28 23  2  0  0  0  0
  8  7  1  0  0  0  0
 21 16  2  0  0  0  0
M  END
>  <Mol_ID> (4,920)
4920

>  <Formula> (4,920)
C23H23N3O3

>  <MolWeight> (4,920)
389.44702

>  <COMPOUND_NAME> (4,920)
WAY-633345

>  <BAR_CODE_NO> (4,920)
90467766

$$$$
WAY-633377
csChFnd80/06171916332D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -1.1500   -1.4167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7042    1.0583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8625   -1.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7042    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333   -1.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917    1.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9500   -2.6542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5625   -0.7042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7375   -2.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6208   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250   -0.1792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792   -1.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7583   -2.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917    2.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1708   -2.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    1.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792    1.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    2.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7042    2.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792    2.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333    1.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333    2.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  1  0  0  0  0
  4 10  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  1  2  0  0  0  0
  9  1  2  0  0  0  0
 10 18  1  0  0  0  0
 11  3  2  0  0  0  0
 12  4  2  0  0  0  0
 13  5  1  0  0  0  0
 14  5  1  0  0  0  0
 15  7  1  0  0  0  0
 16  6  2  0  0  0  0
 17 11  1  0  0  0  0
 18 14  1  0  0  0  0
 19 13  1  0  0  0  0
 20  2  1  0  0  0  0
 21  6  1  0  0  0  0
 22 20  1  0  0  0  0
 23 22  1  0  0  0  0
 24 16  1  0  0  0  0
 25 21  2  0  0  0  0
 26 25  1  0  0  0  0
 19 10  1  0  0  0  0
 15 17  2  0  0  0  0
 23 16  1  0  0  0  0
 26 24  2  0  0  0  0
M  END
>  <Mol_ID> (4,921)
4921

>  <Formula> (4,921)
C19H22N2O3S2

>  <MolWeight> (4,921)
390.51958

>  <COMPOUND_NAME> (4,921)
WAY-633377

>  <BAR_CODE_NO> (4,921)
90467799

$$$$
WAY-633386
csChFnd80/06171916332D

 25 29  0  0  0  0  0  0  0  0999 V2000
   -1.5833   -0.5917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2750    0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542   -0.8667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917   -0.0500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.4875    0.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458    0.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708   -1.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3500   -1.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042    0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3375    0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6250   -0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6583    0.6833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3375    1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1167    0.1083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1167    1.4458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6042    0.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6833    1.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0083    1.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042    1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000    1.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6250    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6833   -1.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458   -2.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3833   -2.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5625   -2.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  5  2  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  2  0  0  0  0
  9  4  1  0  0  0  0
 10 11  1  0  0  0  0
 11  9  2  0  0  0  0
 12  6  1  0  0  0  0
 13 21  1  0  0  0  0
 14 10  1  0  0  0  0
 15 13  1  0  0  0  0
 16 14  1  0  0  0  0
 17  6  2  0  0  0  0
 18 12  1  0  0  0  0
 19  9  1  0  0  0  0
 20 17  1  0  0  0  0
 21 19  2  0  0  0  0
 22  7  1  0  0  0  0
 23  8  1  0  0  0  0
 24 22  2  0  0  0  0
 25 24  1  0  0  0  0
  3  4  1  0  0  0  0
 25 23  2  0  0  0  0
 18 20  2  0  0  0  0
 13 10  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (4,922)
4922

>  <Formula> (4,922)
C20H15NO3S

>  <MolWeight> (4,922)
349.403

>  <COMPOUND_NAME> (4,922)
WAY-633386

>  <BAR_CODE_NO> (4,922)
90467808

$$$$
WAY-633399
csChFnd80/06171916332D

 19 20  0  0  0  0  0  0  0  0999 V2000
    0.1167    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3625    2.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042    2.3375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042    3.1708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167    3.4208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333    1.3000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7167   -0.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4625   -1.4917    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.1625   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3458   -1.6667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.6458   -0.2667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167    0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6000   -2.4542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.1875    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0125   -2.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542   -2.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8958   -1.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0500   -3.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4083   -2.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  9  1  0  0  0  0
  8  7  1  0  0  0  0
  9 12  1  0  0  0  0
 10  8  1  0  0  0  0
 11  9  2  0  0  0  0
 12  6  1  0  0  0  0
 13 10  1  0  0  0  0
 14  2  1  0  0  0  0
 15  8  1  0  0  0  0
 16 15  1  0  0  0  0
 17 10  1  0  0  0  0
 18 16  1  0  0  0  0
 19 13  1  0  0  0  0
  5  4  2  0  0  0  0
 18 13  1  0  0  0  0
M  END
>  <Mol_ID> (4,923)
4923

>  <Formula> (4,923)
C12H21N5OS

>  <MolWeight> (4,923)
283.39304

>  <COMPOUND_NAME> (4,923)
WAY-633399

>  <BAR_CODE_NO> (4,923)
90467821

$$$$
WAY-633558
csChFnd80/06171916332D

 21 24  0  0  0  0  0  0  0  0999 V2000
    0.2292    1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833    1.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292    0.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833    2.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292   -1.1750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9500    1.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292    2.9583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2625    2.7958    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2625    1.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9500    2.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7500    2.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9500   -2.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9500    0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833    0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9500   -0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833   -0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833   -2.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9500   -3.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833   -3.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292   -3.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5 17  1  0  0  0  0
  6  1  1  0  0  0  0
  7 11  1  0  0  0  0
  8  5  1  0  0  0  0
  9  4  1  0  0  0  0
 10  2  1  0  0  0  0
 11  6  2  0  0  0  0
 12 10  2  0  0  0  0
 13  8  2  0  0  0  0
 14  3  1  0  0  0  0
 15  3  1  0  0  0  0
 16 14  1  0  0  0  0
 17 15  1  0  0  0  0
 18  8  1  0  0  0  0
 19 13  1  0  0  0  0
 20 18  2  0  0  0  0
 21 20  1  0  0  0  0
  7  4  2  0  0  0  0
  5 16  1  0  0  0  0
 12  9  1  0  0  0  0
 21 19  2  0  0  0  0
M  END
>  <Mol_ID> (4,924)
4924

>  <Formula> (4,924)
C15H15N5S

>  <MolWeight> (4,924)
297.3781

>  <COMPOUND_NAME> (4,924)
WAY-633558

>  <BAR_CODE_NO> (4,924)
90467984

$$$$
WAY-633587
csChFnd80/06171916332D

 15 16  0  0  0  0  0  0  0  0999 V2000
    0.0167   -0.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2375   -0.1542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0625    1.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4708   -1.6042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7250    1.4958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8042   -1.1917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167   -2.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8042   -2.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417    1.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7250    2.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0625    2.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167    0.2833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958    1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2375   -3.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  1  2  0  0  0  0
  6  4  1  0  0  0  0
  7  1  1  0  0  0  0
  8  5  1  0  0  0  0
  9  7  1  0  0  0  0
 10  4  2  0  0  0  0
 11  6  1  0  0  0  0
 12 10  1  0  0  0  0
 13  3  2  0  0  0  0
 14  6  1  0  0  0  0
 15  8  1  0  0  0  0
  9  8  2  0  0  0  0
 11 12  2  0  0  0  0
M  END
>  <Mol_ID> (4,925)
4925

>  <Formula> (4,925)
C10H11N3OS

>  <MolWeight> (4,925)
221.27884

>  <COMPOUND_NAME> (4,925)
WAY-633587

>  <BAR_CODE_NO> (4,925)
90468013

$$$$
WAY-633593
csChFnd80/06171916332D

 18 19  0  0  0  0  0  0  0  0999 V2000
    0.9125   -0.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917    0.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6250    0.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3750   -1.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2333    0.2083    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917    1.0333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3417   -0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208   -0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9458   -0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6625    0.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9458   -1.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6625   -1.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3750   -0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6250    1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3417   -1.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0542    0.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3417    1.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0542    1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4 12  2  0  0  0  0
  5  8  1  0  0  0  0
  6  2  2  0  0  0  0
  7  3  2  0  0  0  0
  8  2  1  0  0  0  0
  9  5  1  0  0  0  0
 10  9  1  0  0  0  0
 11  9  2  0  0  0  0
 12 11  1  0  0  0  0
 13 10  2  0  0  0  0
 14  3  1  0  0  0  0
 15  7  1  0  0  0  0
 16  7  1  0  0  0  0
 17 14  2  0  0  0  0
 18 17  1  0  0  0  0
 18 16  2  0  0  0  0
  4 13  1  0  0  0  0
M  END
>  <Mol_ID> (4,926)
4926

>  <Formula> (4,926)
C14H14N2OS

>  <MolWeight> (4,926)
258.33876

>  <COMPOUND_NAME> (4,926)
WAY-633593

>  <BAR_CODE_NO> (4,926)
90468019

$$$$
WAY-633595
csChFnd80/06171916332D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -0.7458    0.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417    0.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417    1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958   -0.6750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458   -1.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2333    0.7750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458    1.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7000   -2.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042    1.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208   -2.7417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6250    2.4958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3625   -1.1167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4833   -2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7000   -3.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4833   -3.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917    2.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4625    1.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0417    2.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292    1.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  5  1  0  0  0  0
  9  3  1  0  0  0  0
 10  8  1  0  0  0  0
 11  9  2  0  0  0  0
 12  5  2  0  0  0  0
 13  8  2  0  0  0  0
 14 10  1  0  0  0  0
 15 13  1  0  0  0  0
 16 11  1  0  0  0  0
 17  9  1  0  0  0  0
 18 19  1  0  0  0  0
 19 17  2  0  0  0  0
  7  3  2  0  0  0  0
 14 15  2  0  0  0  0
 18 16  2  0  0  0  0
M  END
>  <Mol_ID> (4,927)
4927

>  <Formula> (4,927)
C13H9N3O2S

>  <MolWeight> (4,927)
271.29446

>  <COMPOUND_NAME> (4,927)
WAY-633595

>  <BAR_CODE_NO> (4,927)
90468021

$$$$
WAY-633599
csChFnd80/06171916332D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -0.4125    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708    1.1208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7083    1.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1958    2.5708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0750    2.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708   -0.2792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1792   -2.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708   -1.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7083    3.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208   -0.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0750    2.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9875   -2.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3917    0.6750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2417   -1.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0750   -3.0750    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.6917   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5417   -2.7292    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  8  1  0  0  0  0
  8 10  2  0  0  0  0
  9  4  1  0  0  0  0
 10  6  1  0  0  0  0
 11  5  2  0  0  0  0
 12 14  1  0  0  0  0
 13  1  2  0  0  0  0
 14 16  2  0  0  0  0
 15  7  1  0  0  0  0
 16 10  1  0  0  0  0
 17 12  1  0  0  0  0
  9 11  1  0  0  0  0
 12  7  2  0  0  0  0
M  END
>  <Mol_ID> (4,928)
4928

>  <Formula> (4,928)
C10H7Cl2N3O2

>  <MolWeight> (4,928)
272.08748

>  <COMPOUND_NAME> (4,928)
WAY-633599

>  <BAR_CODE_NO> (4,928)
90468025

$$$$
WAY-633609
csChFnd80/06171916332D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -2.3083   -0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7958    0.1958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7958   -1.1417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5750   -0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5750   -0.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667   -0.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4833   -0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6417    0.9583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4667    0.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917   -0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8792    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0708   -1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0708    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458   -1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4042    0.2458    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.2292    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917    0.9583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2958    0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2958   -1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8792    1.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4667   -0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7042    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0083   -0.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0083   -0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1167    0.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7042    1.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6 15  1  0  0  0  0
  7  1  1  0  0  0  0
  8 17  1  0  0  0  0
  9  8  1  0  0  0  0
 10  6  1  0  0  0  0
 11  9  2  0  0  0  0
 12  7  1  0  0  0  0
 13  7  1  0  0  0  0
 14 12  1  0  0  0  0
 15 13  1  0  0  0  0
 16 10  1  0  0  0  0
 17 16  1  0  0  0  0
 18 16  1  0  0  0  0
 19  4  1  0  0  0  0
 20  5  1  0  0  0  0
 21  9  1  0  0  0  0
 22 11  1  0  0  0  0
 23 11  1  0  0  0  0
 24 20  2  0  0  0  0
 25 19  2  0  0  0  0
 26 27  1  0  0  0  0
 27 21  2  0  0  0  0
  5  4  2  0  0  0  0
  6 14  1  0  0  0  0
 24 25  1  0  0  0  0
 26 23  2  0  0  0  0
M  END
>  <Mol_ID> (4,929)
4929

>  <Formula> (4,929)
C22H26N2O2S

>  <MolWeight> (4,929)
382.51904

>  <COMPOUND_NAME> (4,929)
WAY-633609

>  <BAR_CODE_NO> (4,929)
90468035

$$$$
WAY-633618
csChFnd80/06171916332D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -2.2958   -0.3750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7833    0.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083    0.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2958    0.9583    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458    1.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6083    0.2958    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458   -0.6042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167    0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0875    0.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5500   -1.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1667   -0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083    0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792    1.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8375    0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542   -0.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3583   -1.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0125   -1.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5917   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6792   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  2  0  0  0  0
  7  2  2  0  0  0  0
  8  3  2  0  0  0  0
  9 14  2  0  0  0  0
 10  6  1  0  0  0  0
 11  1  1  0  0  0  0
 12  9  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 10  1  0  0  0  0
 16 10  2  0  0  0  0
 17 12  2  0  0  0  0
 18 12  1  0  0  0  0
 19 11  1  0  0  0  0
 20 18  2  0  0  0  0
 21 17  1  0  0  0  0
 22 20  1  0  0  0  0
  5  4  1  0  0  0  0
  9 13  1  0  0  0  0
 22 21  2  0  0  0  0
M  END
>  <Mol_ID> (4,930)
4930

>  <Formula> (4,930)
C18H15NOS2

>  <MolWeight> (4,930)
325.4478

>  <COMPOUND_NAME> (4,930)
WAY-633618

>  <BAR_CODE_NO> (4,930)
90468044

$$$$
WAY-633691
csChFnd80/06171916332D

 28 32  0  0  0  0  0  0  0  0999 V2000
    0.5625   -0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167    0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8667   -0.3292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542   -1.0417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6417   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1583    0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4875    1.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708   -0.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0125    0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292    1.7083    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2958   -0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0125    1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7958    0.1083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5833    0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7917   -1.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7958    1.4458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1583    1.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2833    0.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2417    1.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3417    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1542    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2958    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5833    1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042   -2.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6125   -1.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9417   -2.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6417   -3.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4625   -3.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  5  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9 11  1  0  0  0  0
 10  7  1  0  0  0  0
 11 14  2  0  0  0  0
 12 22  1  0  0  0  0
 13  9  1  0  0  0  0
 14  8  1  0  0  0  0
 15  4  1  0  0  0  0
 16 12  1  0  0  0  0
 17  6  2  0  0  0  0
 18 13  1  0  0  0  0
 19  7  2  0  0  0  0
 20 10  1  0  0  0  0
 21 19  1  0  0  0  0
 22 23  2  0  0  0  0
 23 14  1  0  0  0  0
 24 15  1  0  0  0  0
 25 15  2  0  0  0  0
 26 25  1  0  0  0  0
 27 24  2  0  0  0  0
 28 26  2  0  0  0  0
  3  4  1  0  0  0  0
 20 21  2  0  0  0  0
 12  9  2  0  0  0  0
 28 27  1  0  0  0  0
 18 16  1  0  0  0  0
M  END
>  <Mol_ID> (4,931)
4931

>  <Formula> (4,931)
C21H15N3O3S

>  <MolWeight> (4,931)
389.4271

>  <COMPOUND_NAME> (4,931)
WAY-633691

>  <BAR_CODE_NO> (4,931)
90468118

$$$$
WAY-633714
csChFnd80/06171916332D

 25 27  0  0  0  0  0  0  0  0999 V2000
    0.2667    0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2125   -0.3792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667   -1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0542   -0.7917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167    1.0708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0542    0.0333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667    1.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167    2.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6125    3.8708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958    4.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958    2.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458    3.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667    3.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167   -1.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3750    1.5125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667   -2.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7875   -2.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4500    4.8167    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.5583    3.5958    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958   -3.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167   -3.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0458   -2.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458   -4.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958   -4.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4500   -5.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  6  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  2  0  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
  9 13  2  0  0  0  0
 10  9  1  0  0  0  0
 11  8  2  0  0  0  0
 12 11  1  0  0  0  0
 13  8  1  0  0  0  0
 14  3  1  0  0  0  0
 15  7  2  0  0  0  0
 16 14  1  0  0  0  0
 17 14  2  0  0  0  0
 18 10  1  0  0  0  0
 19 12  1  0  0  0  0
 20 22  2  0  0  0  0
 21 16  2  0  0  0  0
 22 17  1  0  0  0  0
 23 20  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
  4  3  2  0  0  0  0
 10 12  2  0  0  0  0
 21 20  1  0  0  0  0
M  END
>  <Mol_ID> (4,932)
4932

>  <Formula> (4,932)
C16H12Cl2N4O3

>  <MolWeight> (4,932)
379.19748

>  <COMPOUND_NAME> (4,932)
WAY-633714

>  <BAR_CODE_NO> (4,932)
90468141

$$$$
WAY-633757
csChFnd80/06171916332D

 28 30  0  0  0  0  0  0  0  0999 V2000
   -0.2833    1.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833    0.5208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292    1.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8625    2.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958    1.7583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833   -1.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417    1.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292    2.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417    2.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8625    1.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958    0.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5750    2.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7125   -1.1292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4250   -4.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4250   -3.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4250   -5.6667    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7125   -4.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1458   -4.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1458   -3.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7125   -3.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7125   -1.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4250   -2.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2917    2.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5750    3.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2917    4.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0042    2.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0042    3.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3 12  1  0  0  0  0
  4  1  1  0  0  0  0
  5 10  2  0  0  0  0
  6  1  2  0  0  0  0
  7  3  2  0  0  0  0
  8  4  1  0  0  0  0
  9  4  2  0  0  0  0
 10  9  1  0  0  0  0
 11  8  2  0  0  0  0
 12  2  1  0  0  0  0
 13  5  1  0  0  0  0
 14  3  1  0  0  0  0
 15 18  1  0  0  0  0
 16 23  1  0  0  0  0
 17 15  1  0  0  0  0
 18 21  2  0  0  0  0
 19 20  1  0  0  0  0
 20 16  2  0  0  0  0
 21 16  1  0  0  0  0
 22 14  1  0  0  0  0
 23 22  1  0  0  0  0
 24 13  1  0  0  0  0
 25 13  2  0  0  0  0
 26 25  1  0  0  0  0
 27 24  2  0  0  0  0
 28 26  2  0  0  0  0
  5 11  1  0  0  0  0
 28 27  1  0  0  0  0
 15 19  2  0  0  0  0
M  END
>  <Mol_ID> (4,933)
4933

>  <Formula> (4,933)
C23H21FN2O2

>  <MolWeight> (4,933)
376.4234432

>  <COMPOUND_NAME> (4,933)
WAY-633757

>  <BAR_CODE_NO> (4,933)
90468185

$$$$
WAY-633877
csChFnd80/06171916332D

 29 34  0  0  0  0  0  0  0  0999 V2000
    0.3125   -1.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792   -1.5625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583   -1.5625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3125   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292    0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292    0.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1000   -2.3417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3125    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2917    0.5750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7250   -2.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8125    1.2458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4000    0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4000    0.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8125   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5458    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8333    0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5458    2.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3333    1.1458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3333    2.4833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8125    1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208    2.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8333    2.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1792   -3.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4625   -1.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5667   -2.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  6  2  0  0  0  0
  6  4  1  0  0  0  0
  7  3  1  0  0  0  0
  8 12  2  0  0  0  0
  9 14  2  0  0  0  0
 10  2  1  0  0  0  0
 11  5  1  0  0  0  0
 12 13  1  0  0  0  0
 13  4  2  0  0  0  0
 14  6  1  0  0  0  0
 15 12  1  0  0  0  0
 16 17  1  0  0  0  0
 17 15  2  0  0  0  0
 18 23  1  0  0  0  0
 19 16  1  0  0  0  0
 20 18  1  0  0  0  0
 21 19  1  0  0  0  0
 22 15  1  0  0  0  0
 23 22  2  0  0  0  0
 24  2  1  0  0  0  0
 25 10  1  0  0  0  0
 26 14  1  0  0  0  0
 27 24  1  0  0  0  0
 28 25  1  0  0  0  0
 29 27  1  0  0  0  0
 10  7  2  0  0  0  0
  8  5  1  0  0  0  0
 11  9  1  0  0  0  0
 29 28  1  0  0  0  0
 18 16  2  0  0  0  0
 21 20  1  0  0  0  0
M  END
>  <Mol_ID> (4,934)
4934

>  <Formula> (4,934)
C21H19N5O3

>  <MolWeight> (4,934)
389.40726

>  <COMPOUND_NAME> (4,934)
WAY-633877

>  <BAR_CODE_NO> (4,934)
90468311

$$$$
WAY-633911
csChFnd80/06171916332D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.5958    0.8458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5958    1.6708    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.3083    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3083    2.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8375    0.8458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5500   -2.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5500   -2.0417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167    2.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0208    1.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5958    3.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0208    3.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8375   -1.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667   -3.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8375   -3.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8375   -0.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7375    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7375    2.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8375   -4.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667   -4.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5500   -4.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  2  0  0  0  0
  6  4  2  0  0  0  0
  7  9  1  0  0  0  0
  8  2  1  0  0  0  0
  9 15  1  0  0  0  0
 10  8  1  0  0  0  0
 11  3  1  0  0  0  0
 12  4  1  0  0  0  0
 13 10  1  0  0  0  0
 14  5  1  0  0  0  0
 15 18  1  0  0  0  0
 16  7  2  0  0  0  0
 17  7  1  0  0  0  0
 18 12  1  0  0  0  0
 19 11  2  0  0  0  0
 20 19  1  0  0  0  0
 21 17  2  0  0  0  0
 22 16  1  0  0  0  0
 23 21  1  0  0  0  0
 13  5  1  0  0  0  0
 20 14  2  0  0  0  0
 23 22  2  0  0  0  0
M  END
>  <Mol_ID> (4,935)
4935

>  <Formula> (4,935)
C20H23NO2

>  <MolWeight> (4,935)
309.40212

>  <COMPOUND_NAME> (4,935)
WAY-633911

>  <BAR_CODE_NO> (4,935)
90468345

$$$$
WAY-633977
csChFnd80/06171916332D

 28 32  0  0  0  0  0  0  0  0999 V2000
    1.5750    1.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208   -3.1125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083   -2.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208   -1.4625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083   -1.8750    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.1042   -1.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0375   -2.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0375   -1.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5500    0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000   -0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3042    2.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042    2.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7792    2.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8625    2.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2417    3.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417    3.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042   -3.1125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167   -0.2417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7875    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083   -0.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3042    0.5708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3625    2.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6250    3.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5292    3.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7500   -3.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7500   -1.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4708   -2.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4708   -1.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  5  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  2  0  0  0  0
  8  4  1  0  0  0  0
  9  1  1  0  0  0  0
 10 18  1  0  0  0  0
 11  1  1  0  0  0  0
 12  1  1  0  0  0  0
 13  1  1  0  0  0  0
 14 12  1  0  0  0  0
 15 11  1  0  0  0  0
 16 13  1  0  0  0  0
 17  3  2  0  0  0  0
 18 19  1  0  0  0  0
 19  9  1  0  0  0  0
 20 10  2  0  0  0  0
 21  9  2  0  0  0  0
 22 14  1  0  0  0  0
 23 16  1  0  0  0  0
 24 16  1  0  0  0  0
 25  7  1  0  0  0  0
 26  8  1  0  0  0  0
 27 28  1  0  0  0  0
 28 26  2  0  0  0  0
 24 15  1  0  0  0  0
 14 23  1  0  0  0  0
 22 15  1  0  0  0  0
  7  2  1  0  0  0  0
 25 27  2  0  0  0  0
M  END
>  <Mol_ID> (4,936)
4936

>  <Formula> (4,936)
C22H25NO4S

>  <MolWeight> (4,936)
399.5032

>  <COMPOUND_NAME> (4,936)
WAY-633977

>  <BAR_CODE_NO> (4,936)
90468412

$$$$
WAY-633993
csChFnd80/06171916332D

 25 28  0  0  0  0  0  0  0  0999 V2000
    1.5167   -0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.3958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7792    0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.9417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7792   -0.6875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6917   -0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    0.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0208    0.4375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792    0.4375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2125   -0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1958    0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2125    0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792   -0.9875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6708    0.4375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833    1.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833   -0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458    0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9583    1.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9583   -0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4333    1.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4333   -0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -1.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2583   -0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2583    1.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  2  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  5  1  0  0  0  0
  9 12  1  0  0  0  0
 10  6  1  0  0  0  0
 11  8  2  0  0  0  0
 12 17  2  0  0  0  0
 13  7  2  0  0  0  0
 14  6  2  0  0  0  0
 15 24  1  0  0  0  0
 16 19  2  0  0  0  0
 17 20  1  0  0  0  0
 18 10  1  0  0  0  0
 19 18  1  0  0  0  0
 20 18  2  0  0  0  0
 21  9  1  0  0  0  0
 22  9  1  0  0  0  0
 23  8  1  0  0  0  0
 24 22  1  0  0  0  0
 25 21  1  0  0  0  0
  5  3  1  0  0  0  0
 13 11  1  0  0  0  0
 12 16  1  0  0  0  0
 15 25  1  0  0  0  0
M  END
>  <Mol_ID> (4,937)
4937

>  <Formula> (4,937)
C17H18N6O2

>  <MolWeight> (4,937)
338.36382

>  <COMPOUND_NAME> (4,937)
WAY-633993

>  <BAR_CODE_NO> (4,937)
90468428

$$$$
WAY-634140
csChFnd80/06171916332D

 21 24  0  0  0  0  0  0  0  0999 V2000
   -0.3170    1.3063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9841    0.5583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3189    2.5063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2221    0.5307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2093   -0.9643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9342    1.3074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6480    0.9743    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9083   -1.7189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6274   -1.4322    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6157    0.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5130   -0.2182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6022   -0.9420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5952   -0.9389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5952    0.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8916   -1.6876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2988   -1.6876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8916    1.3070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2988    1.3070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1881   -0.9389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9841   -0.9389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1881    0.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  2  1  0  0  0  0
 10  1  1  0  0  0  0
 18  2  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  2  0  0  0  0
  8 12  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 21  2  0  0  0  0
 19 21  1  0  0  0  0
 20  2  1  0  0  0  0
M  END
>  <Mol_ID> (4,938)
4938

>  <Formula> (4,938)
C17H15N3O

>  <MolWeight> (4,938)
277.3205

>  <COMPOUND_NAME> (4,938)
WAY-634140

>  <BAR_CODE_NO> (4,938)
90468584

$$$$
WAY-634189
csChFnd80/06171916332D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -3.1458    0.9375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208   -0.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6333    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3625   -0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9333   -0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1458   -0.3917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917   -0.1417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3625    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6458   -0.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9250   -0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   -0.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208   -1.3792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6417   -0.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9333    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6458    1.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6417   -1.3792    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.9250    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3542   -0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6417    1.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3542    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  1  2  0  0  0  0
  4  8  2  0  0  0  0
  5 14  1  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8  1  1  0  0  0  0
  9  4  1  0  0  0  0
 10 11  1  0  0  0  0
 11  7  1  0  0  0  0
 12  2  2  0  0  0  0
 13 10  2  0  0  0  0
 14 15  2  0  0  0  0
 15  8  1  0  0  0  0
 16 13  1  0  0  0  0
 17 10  1  0  0  0  0
 18 13  1  0  0  0  0
 19 17  2  0  0  0  0
 20 19  1  0  0  0  0
  4  6  1  0  0  0  0
  5  9  2  0  0  0  0
 20 18  2  0  0  0  0
M  END
>  <Mol_ID> (4,939)
4939

>  <Formula> (4,939)
C15H11FN2OS

>  <MolWeight> (4,939)
286.3240432

>  <COMPOUND_NAME> (4,939)
WAY-634189

>  <BAR_CODE_NO> (4,939)
90468636

$$$$
WAY-634276
csChFnd80/06171916332D

 24 27  0  0  0  0  0  0  0  0999 V2000
    0.8667   -1.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6167   -1.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083   -1.8417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042   -0.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4625   -1.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1000   -2.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042    0.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9250   -2.5125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2250    1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1792   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5125    1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5125    0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5125   -3.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542   -0.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2250    2.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042    2.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042    1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9458    1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5125    3.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9458    3.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667   -1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6583    1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6583    2.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8  6  1  0  0  0  0
  9 12  2  0  0  0  0
 10  6  2  0  0  0  0
 11  8  1  0  0  0  0
 12 13  1  0  0  0  0
 13  7  1  0  0  0  0
 14 10  1  0  0  0  0
 15  1  1  0  0  0  0
 16  9  1  0  0  0  0
 17 18  2  0  0  0  0
 18 12  1  0  0  0  0
 19  9  1  0  0  0  0
 20 17  1  0  0  0  0
 21 16  1  0  0  0  0
 22 15  1  0  0  0  0
 23 19  2  0  0  0  0
 24 23  1  0  0  0  0
  3  5  1  0  0  0  0
 11 14  2  0  0  0  0
 20 16  2  0  0  0  0
 24 21  2  0  0  0  0
M  END
>  <Mol_ID> (4,940)
4940

>  <Formula> (4,940)
C19H17N3S2

>  <MolWeight> (4,940)
351.48838

>  <COMPOUND_NAME> (4,940)
WAY-634276

>  <BAR_CODE_NO> (4,940)
90468727

$$$$
WAY-634309
csChFnd80/06171916332D

 31 34  0  0  0  0  0  0  0  0999 V2000
   -2.3583   -3.8500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792    0.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792    2.5083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1125    2.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3917    2.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458   -3.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917    3.3333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3917    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4625   -2.8542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.6792    0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458   -2.4417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458   -1.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333    2.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8625    2.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0042    3.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4167    2.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4583   -4.6667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9000   -4.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2208   -2.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333   -0.3792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7708   -3.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333   -1.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3917   -0.3792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4625   -1.2042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333   -2.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458    0.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458    2.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3417    4.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4625    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4625    2.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 10  1  0  0  0  0
  3 14  2  0  0  0  0
  4  5  1  0  0  0  0
  5  8  2  0  0  0  0
  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8  2  1  0  0  0  0
  9  6  1  0  0  0  0
 10 21  1  0  0  0  0
 11  2  2  0  0  0  0
 12  9  1  0  0  0  0
 13 12  1  0  0  0  0
 14 11  1  0  0  0  0
 15  4  2  0  0  0  0
 16  7  1  0  0  0  0
 17 15  1  0  0  0  0
 18  1  2  0  0  0  0
 19  1  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22  1  1  0  0  0  0
 23 13  1  0  0  0  0
 24 10  2  0  0  0  0
 25 13  2  0  0  0  0
 26 12  1  0  0  0  0
 27 11  1  0  0  0  0
 28 14  1  0  0  0  0
 29 16  1  0  0  0  0
 30 27  2  0  0  0  0
 31 30  1  0  0  0  0
 20  9  1  0  0  0  0
  3  5  1  0  0  0  0
 31 28  2  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (4,941)
4941

>  <Formula> (4,941)
C22H22N2O6S

>  <MolWeight> (4,941)
442.48488

>  <COMPOUND_NAME> (4,941)
WAY-634309

>  <BAR_CODE_NO> (4,941)
90468761

$$$$
WAY-634321
csChFnd80/06171916332D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -0.2833    1.1583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7708    1.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833    2.4875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042    1.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042    2.2333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5375    0.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667    0.9250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8625   -3.0542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2417   -2.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542   -0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958    1.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6667   -1.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5250   -3.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458    0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5292   -2.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2458    1.8208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7042   -3.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042   -0.0417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792    0.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3292   -1.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167   -0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8333    2.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8333    1.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0083    2.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0083    1.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8958    0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958   -0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2375   -1.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0458   -1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8  9  1  0  0  0  0
  9 20  1  0  0  0  0
 10 19  1  0  0  0  0
 11  2  1  0  0  0  0
 12 10  1  0  0  0  0
 13  8  1  0  0  0  0
 14  6  2  0  0  0  0
 15  9  2  0  0  0  0
 16 23  2  0  0  0  0
 17 15  1  0  0  0  0
 18 10  2  0  0  0  0
 19  7  1  0  0  0  0
 20 12  1  0  0  0  0
 21  6  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
 24 11  1  0  0  0  0
 25 11  2  0  0  0  0
 26 14  1  0  0  0  0
 27 14  1  0  0  0  0
 28 21  2  0  0  0  0
 29 28  1  0  0  0  0
  3  5  1  0  0  0  0
 29 27  2  0  0  0  0
 16 22  1  0  0  0  0
 13 17  2  0  0  0  0
M  END
>  <Mol_ID> (4,942)
4942

>  <Formula> (4,942)
C21H19N5OS2

>  <MolWeight> (4,942)
421.53846

>  <COMPOUND_NAME> (4,942)
WAY-634321

>  <BAR_CODE_NO> (4,942)
90468773

$$$$
WAY-634335
csChFnd80/06171916332D

 23 25  0  0  0  0  0  0  0  0999 V2000
    2.0375   -0.3000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.7542   -0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3250    0.1125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6125   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1083    0.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5042   -0.3750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9625    0.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417    0.4208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6250   -1.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2458   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8208   -0.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9625    0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7458   -0.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8417   -1.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7458    1.1958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5333    0.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2333    0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0542   -0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1083    0.9375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6417   -1.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2458    1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5333    0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3250    0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  2  1  0  0  0  0
  7 10  1  0  0  0  0
  8  1  2  0  0  0  0
  9  1  2  0  0  0  0
 10 16  2  0  0  0  0
 11  5  1  0  0  0  0
 12 21  1  0  0  0  0
 13  7  1  0  0  0  0
 14  2  2  0  0  0  0
 15 12  1  0  0  0  0
 16 11  1  0  0  0  0
 17 13  1  0  0  0  0
 18  6  1  0  0  0  0
 19  5  2  0  0  0  0
 20 14  1  0  0  0  0
 21 22  2  0  0  0  0
 22 16  1  0  0  0  0
 23  3  1  0  0  0  0
 18 20  2  0  0  0  0
 12  7  2  0  0  0  0
 17 15  1  0  0  0  0
M  END
>  <Mol_ID> (4,943)
4943

>  <Formula> (4,943)
C14H14N2O5S2

>  <MolWeight> (4,943)
354.40136

>  <COMPOUND_NAME> (4,943)
WAY-634335

>  <BAR_CODE_NO> (4,943)
90468787

$$$$
WAY-634367
csChFnd80/06171916332D

 29 33  0  0  0  0  0  0  0  0999 V2000
   -1.1000   -2.1042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7875    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042    0.5208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958   -2.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042    1.8500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3583   -1.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542   -1.6667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500   -2.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833    1.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0375   -3.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958   -3.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5875   -3.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6125    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1625   -1.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0250    1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1958    0.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1958    2.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9500   -4.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8500    1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6125    2.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9125    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9125    1.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0250    3.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2625    2.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8500    3.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3 14  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  2  0  0  0  0
  6  1  1  0  0  0  0
  7  4  2  0  0  0  0
  8  6  1  0  0  0  0
  9  8  2  0  0  0  0
 10  3  1  0  0  0  0
 11  1  1  0  0  0  0
 12 10  2  0  0  0  0
 13  4  1  0  0  0  0
 14  9  1  0  0  0  0
 15 11  2  0  0  0  0
 16 15  1  0  0  0  0
 17  2  1  0  0  0  0
 18  6  2  0  0  0  0
 19 17  1  0  0  0  0
 20 10  1  0  0  0  0
 21 12  1  0  0  0  0
 22 15  1  0  0  0  0
 23 19  1  0  0  0  0
 24 19  2  0  0  0  0
 25 20  2  0  0  0  0
 26 25  1  0  0  0  0
 27 24  1  0  0  0  0
 28 23  2  0  0  0  0
 29 27  2  0  0  0  0
 13 16  2  0  0  0  0
  9  7  1  0  0  0  0
 12  5  1  0  0  0  0
 26 21  2  0  0  0  0
 29 28  1  0  0  0  0
M  END
>  <Mol_ID> (4,944)
4944

>  <Formula> (4,944)
C24H20N4O

>  <MolWeight> (4,944)
380.4418

>  <COMPOUND_NAME> (4,944)
WAY-634367

>  <BAR_CODE_NO> (4,944)
90468819

$$$$
WAY-651660
csChFnd80/06171916332D

 32 36  0  0  0  0  0  0  0  0999 V2000
    0.4125    1.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708    1.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    2.4583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2000    2.2083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2000    1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542    0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8958    1.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125   -0.2792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583   -2.6292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3833    1.1208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.8667    2.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6500    0.1625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3833    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708    1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708    2.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542   -1.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083   -3.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042   -1.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3500   -1.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083   -2.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542   -2.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208   -3.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6167    2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792    3.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708   -4.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6708   -2.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417    3.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2875    2.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4750   -3.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1833   -4.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7333   -3.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000    3.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  5  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9 20  1  0  0  0  0
 10  7  1  0  0  0  0
 11  4  1  0  0  0  0
 12  6  2  0  0  0  0
 13  7  2  0  0  0  0
 14 10  1  0  0  0  0
 15 13  1  0  0  0  0
 16  8  1  0  0  0  0
 17  9  1  0  0  0  0
 18 16  1  0  0  0  0
 19 16  1  0  0  0  0
 20 19  1  0  0  0  0
 21 18  1  0  0  0  0
 22 17  1  0  0  0  0
 23 11  1  0  0  0  0
 24 11  2  0  0  0  0
 25 22  2  0  0  0  0
 26 22  1  0  0  0  0
 27 24  1  0  0  0  0
 28 23  2  0  0  0  0
 29 26  2  0  0  0  0
 30 25  1  0  0  0  0
 31 29  1  0  0  0  0
 32 27  2  0  0  0  0
  3  4  1  0  0  0  0
 14 15  2  0  0  0  0
  9 21  1  0  0  0  0
 32 28  1  0  0  0  0
 31 30  2  0  0  0  0
M  END
>  <Mol_ID> (4,945)
4945

>  <Formula> (4,945)
C26H26N4OS

>  <MolWeight> (4,945)
442.57584

>  <COMPOUND_NAME> (4,945)
WAY-651660

>  <BAR_CODE_NO> (4,945)
90486329

$$$$
WAY-651667
csChFnd80/06171916332D

 28 30  0  0  0  0  0  0  0  0999 V2000
   -0.5458   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8125   -0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333   -0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8125    0.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333    0.6000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5250   -0.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5250   -1.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5250    0.7583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2458   -0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2458    0.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7750   -1.5167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6917   -0.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6917    0.6458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7000   -1.7167    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3500   -1.7167    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5250   -2.5417    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.1667    0.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7542    1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5167    0.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7542   -0.0667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9292    1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9583    0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9917    0.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1667    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1667   -0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4042    1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9917    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  2  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  6  1  0  0  0  0
  8  4  1  0  0  0  0
  9  1  1  0  0  0  0
 10  6  2  0  0  0  0
 11  8  2  0  0  0  0
 12  3  1  0  0  0  0
 13  9  2  0  0  0  0
 14  9  1  0  0  0  0
 15  7  1  0  0  0  0
 16  7  1  0  0  0  0
 17  7  1  0  0  0  0
 18 19  2  0  0  0  0
 19 22  1  0  0  0  0
 20 14  1  0  0  0  0
 21 18  1  0  0  0  0
 22 20  1  0  0  0  0
 23 11  1  0  0  0  0
 24 18  1  0  0  0  0
 25 19  1  0  0  0  0
 26 21  1  0  0  0  0
 27 28  1  0  0  0  0
 28 25  2  0  0  0  0
  2  4  2  0  0  0  0
 10 11  1  0  0  0  0
 27 24  2  0  0  0  0
M  END
>  <Mol_ID> (4,946)
4946

>  <Formula> (4,946)
C19H18F3N3O2S

>  <MolWeight> (4,946)
409.4253296

>  <COMPOUND_NAME> (4,946)
WAY-651667

>  <BAR_CODE_NO> (4,946)
90486336

$$$$
WAY-651703
csChFnd80/06171916332D

 13 14  0  0  0  0  0  0  0  0999 V2000
    0.4542    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9375   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7250   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9375    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7250    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792    1.4583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792   -1.4500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833   -0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6083   -0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6083    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0208    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  4  2  0  0  0  0
  8  2  1  0  0  0  0
  9  6  1  0  0  0  0
 10  6  1  0  0  0  0
 11 10  1  0  0  0  0
 12  9  1  0  0  0  0
 13 11  1  0  0  0  0
  5  3  1  0  0  0  0
 13 12  1  0  0  0  0
M  END
>  <Mol_ID> (4,947)
4947

>  <Formula> (4,947)
C9H14N2OS

>  <MolWeight> (4,947)
198.28526

>  <COMPOUND_NAME> (4,947)
WAY-651703

>  <BAR_CODE_NO> (4,947)
90486372

$$$$
WAY-651783
csChFnd80/06171916332D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -2.9708    0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7875   -0.0667    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.2333   -0.2625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6583   -0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458   -0.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4125   -0.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2000   -0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5583    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458    0.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792   -0.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2000    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9125   -0.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6292   -0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6292    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9125    0.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2708    0.5958    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -4.1208   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792    0.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3417    0.9750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3417   -0.6750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3417    1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3417   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7 10  1  0  0  0  0
  8  1  2  0  0  0  0
  9  8  1  0  0  0  0
 10  3  1  0  0  0  0
 11 20  1  0  0  0  0
 12  7  2  0  0  0  0
 13 12  1  0  0  0  0
 14 15  1  0  0  0  0
 15 11  2  0  0  0  0
 16  2  1  0  0  0  0
 17  2  2  0  0  0  0
 18  3  1  0  0  0  0
 19  5  2  0  0  0  0
 20 18  1  0  0  0  0
 21 14  1  0  0  0  0
 22 13  1  0  0  0  0
 23 21  1  0  0  0  0
 24 22  1  0  0  0  0
  9  4  2  0  0  0  0
 11  7  1  0  0  0  0
 14 13  2  0  0  0  0
M  END
>  <Mol_ID> (4,948)
4948

>  <Formula> (4,948)
C16H16N2O6

>  <MolWeight> (4,948)
332.30804

>  <COMPOUND_NAME> (4,948)
WAY-651783

>  <BAR_CODE_NO> (4,948)
90486453

$$$$
WAY-651814
csChFnd80/06171916332D

 23 24  0  0  0  0  0  0  0  0999 V2000
   -0.4250    1.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2083    1.6958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2083    0.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417    1.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6958    1.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4250    0.6125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917    1.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4708   -0.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6208   -2.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6625    2.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9125   -1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5208    1.0250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708   -1.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917   -2.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792    0.7708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417   -1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1083   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708   -3.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7417   -2.8792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1792    2.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1500    1.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3292    2.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5500   -2.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  6  1  0  0  0  0
  4  1  2  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8  3  2  0  0  0  0
  9 13  1  0  0  0  0
 10  7  1  0  0  0  0
 11  8  1  0  0  0  0
 12  5  2  0  0  0  0
 13 11  2  0  0  0  0
 14 16  1  0  0  0  0
 15  7  2  0  0  0  0
 16 17  2  0  0  0  0
 17 11  1  0  0  0  0
 18  9  1  0  0  0  0
 19 14  1  0  0  0  0
 20 10  1  0  0  0  0
 21 10  1  0  0  0  0
 22 10  1  0  0  0  0
 23 19  1  0  0  0  0
  5  3  1  0  0  0  0
 14  9  2  0  0  0  0
M  END
>  <Mol_ID> (4,949)
4949

>  <Formula> (4,949)
C17H19NO4S

>  <MolWeight> (4,949)
333.40206

>  <COMPOUND_NAME> (4,949)
WAY-651814

>  <BAR_CODE_NO> (4,949)
90486484

$$$$
WAY-651954
csChFnd80/06171916332D

 23 26  0  0  0  0  0  0  0  0999 V2000
   -0.6583   -1.3042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708   -1.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583   -0.4792    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.3708   -0.0667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0833   -1.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0833   -0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708   -2.5417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4875    0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7750   -0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542    0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7750    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4875   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7958   -1.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7958   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9167    0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042    1.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5125   -1.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5125   -0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9167    2.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6292    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6292    1.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  3  1  0  0  0  0
  8  2  2  0  0  0  0
  9 12  2  0  0  0  0
 10  7  1  0  0  0  0
 11  7  2  0  0  0  0
 12 11  1  0  0  0  0
 13 10  2  0  0  0  0
 14  9  1  0  0  0  0
 15  5  1  0  0  0  0
 16  6  1  0  0  0  0
 17 14  1  0  0  0  0
 18 14  2  0  0  0  0
 19 15  2  0  0  0  0
 20 16  2  0  0  0  0
 21 18  1  0  0  0  0
 22 17  2  0  0  0  0
 23 21  2  0  0  0  0
  5  6  2  0  0  0  0
  9 13  1  0  0  0  0
 19 20  1  0  0  0  0
 23 22  1  0  0  0  0
M  END
>  <Mol_ID> (4,950)
4950

>  <Formula> (4,950)
C20H16N2O

>  <MolWeight> (4,950)
300.35384

>  <COMPOUND_NAME> (4,950)
WAY-651954

>  <BAR_CODE_NO> (4,950)
90486624

$$$$
WAY-652009
csChFnd80/06171916332D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.1250    0.7708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542    1.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417    1.1833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542    0.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417    0.3583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042    2.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042   -0.6792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000   -2.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542   -1.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9583    3.1833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4083   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9500    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7083    2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9583   -1.6375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542    2.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9542   -2.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4083    3.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583   -3.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7625   -1.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000    3.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   -3.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1083   -3.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8  9  1  0  0  0  0
  9  7  1  0  0  0  0
 10 13  1  0  0  0  0
 11  8  2  0  0  0  0
 12  1  1  0  0  0  0
 13  6  2  0  0  0  0
 14 11  1  0  0  0  0
 15  6  1  0  0  0  0
 16  8  1  0  0  0  0
 17 20  1  0  0  0  0
 18 11  1  0  0  0  0
 19 14  1  0  0  0  0
 20 15  2  0  0  0  0
 21 16  2  0  0  0  0
 22 21  1  0  0  0  0
  3  5  1  0  0  0  0
 17 10  2  0  0  0  0
 22 18  2  0  0  0  0
M  END
>  <Mol_ID> (4,951)
4951

>  <Formula> (4,951)
C16H16N4OS

>  <MolWeight> (4,951)
312.38944

>  <COMPOUND_NAME> (4,951)
WAY-652009

>  <BAR_CODE_NO> (4,951)
90486679

$$$$
WAY-652272
csChFnd80/06171916332D

 25 27  0  0  0  0  0  0  0  0999 V2000
    1.2792    0.3833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583   -0.8542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667   -0.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583   -0.0292    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.8667    1.0958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6917   -0.3292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5750   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5750    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458   -2.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5750   -2.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583   -2.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7125    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5750    1.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2875   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583   -3.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4292    0.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2875    1.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0083    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7125    2.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4292    1.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0083    1.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  1  2  0  0  0  0
  7  1  2  0  0  0  0
  8  1  1  0  0  0  0
  9  2  1  0  0  0  0
 10  2  1  0  0  0  0
 11  5  1  0  0  0  0
 12 10  1  0  0  0  0
 13  9  1  0  0  0  0
 14 12  1  0  0  0  0
 15  8  2  0  0  0  0
 16  8  1  0  0  0  0
 17 11  1  0  0  0  0
 18 11  2  0  0  0  0
 19 14  1  0  0  0  0
 20 16  2  0  0  0  0
 21 17  2  0  0  0  0
 22 18  1  0  0  0  0
 23 15  1  0  0  0  0
 24 20  1  0  0  0  0
 25 22  2  0  0  0  0
 24 23  2  0  0  0  0
 25 21  1  0  0  0  0
 14 13  1  0  0  0  0
M  END
>  <Mol_ID> (4,952)
4952

>  <Formula> (4,952)
C20H26N2O2S

>  <MolWeight> (4,952)
358.49764

>  <COMPOUND_NAME> (4,952)
WAY-652272

>  <BAR_CODE_NO> (4,952)
90486947

$$$$
WAY-652291
csChFnd80/06171916332D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -0.3583   -1.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583   -0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0708   -1.6417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7875   -0.4042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7875   -1.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0708    0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667   -0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542   -1.6417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667   -1.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542    0.0083    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.8542   -0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3417   -0.8167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8542   -1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542    0.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5000   -1.6417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0708    0.8333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1125    0.6375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0708   -2.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5000    0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583    1.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667    1.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583    2.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667    2.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542    2.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542    3.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  9  2  0  0  0  0
  8  1  1  0  0  0  0
  9  8  1  0  0  0  0
 10  2  1  0  0  0  0
 11  7  1  0  0  0  0
 12 13  1  0  0  0  0
 13  9  1  0  0  0  0
 14 10  1  0  0  0  0
 15  5  2  0  0  0  0
 16  6  2  0  0  0  0
 17 11  2  0  0  0  0
 18  3  1  0  0  0  0
 19  4  1  0  0  0  0
 20 14  1  0  0  0  0
 21 14  2  0  0  0  0
 22 20  2  0  0  0  0
 23 21  1  0  0  0  0
 24 23  2  0  0  0  0
 25 24  1  0  0  0  0
  7 10  1  0  0  0  0
  4  6  1  0  0  0  0
 11 12  1  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <Mol_ID> (4,953)
4953

>  <Formula> (4,953)
C18H17N3O4

>  <MolWeight> (4,953)
339.34528

>  <COMPOUND_NAME> (4,953)
WAY-652291

>  <BAR_CODE_NO> (4,953)
90486966

$$$$
WAY-652297
csChFnd80/06171916332D

 26 28  0  0  0  0  0  0  0  0999 V2000
    1.0167   -1.4875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917   -1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708   -0.7042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042    0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1125    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -2.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458    1.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3250    0.7625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1125    1.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958   -2.1542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667   -2.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    2.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -3.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0542   -0.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3250    2.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8083    1.4333    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4667   -3.4917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3125   -4.3292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042    2.2583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6333    1.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042    3.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167    3.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  2  0  0  0  0
  7 12  2  0  0  0  0
  8  6  1  0  0  0  0
  9  1  1  0  0  0  0
 10 16  2  0  0  0  0
 11  7  1  0  0  0  0
 12  8  1  0  0  0  0
 13  8  2  0  0  0  0
 14  2  2  0  0  0  0
 15  9  1  0  0  0  0
 16 13  1  0  0  0  0
 17 15  1  0  0  0  0
 18  4  2  0  0  0  0
 19 10  1  0  0  0  0
 20 11  1  0  0  0  0
 21 17  2  0  0  0  0
 22 17  1  0  0  0  0
 23 13  1  0  0  0  0
 24 20  1  0  0  0  0
 25 23  1  0  0  0  0
 26 25  1  0  0  0  0
  5  3  1  0  0  0  0
  7 10  1  0  0  0  0
 20 19  1  0  0  0  0
M  END
>  <Mol_ID> (4,954)
4954

>  <Formula> (4,954)
C18H19NO5S2

>  <MolWeight> (4,954)
393.47716

>  <COMPOUND_NAME> (4,954)
WAY-652297

>  <BAR_CODE_NO> (4,954)
90486972

$$$$
WAY-652300
csChFnd80/06171916332D

 27 29  0  0  0  0  0  0  0  0999 V2000
    1.0167   -1.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2750   -0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583   -0.4792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5333    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1083    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5333    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3208    0.9833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8208    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1083    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2875   -1.9375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8208    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -0.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3208    2.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167   -4.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8083    1.6500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.5000   -4.1917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5042   -1.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042   -4.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667   -2.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542   -3.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6333    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3250    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  2  0  0  0  0
  7 11  2  0  0  0  0
  8  6  1  0  0  0  0
  9 14  2  0  0  0  0
 10  7  1  0  0  0  0
 11  8  1  0  0  0  0
 12  8  2  0  0  0  0
 13  2  2  0  0  0  0
 14 12  1  0  0  0  0
 15  4  2  0  0  0  0
 16  9  1  0  0  0  0
 17 24  1  0  0  0  0
 18 10  1  0  0  0  0
 19 17  2  0  0  0  0
 20  1  1  0  0  0  0
 21 17  1  0  0  0  0
 22 12  1  0  0  0  0
 23 20  1  0  0  0  0
 24 23  1  0  0  0  0
 25 18  1  0  0  0  0
 26 22  1  0  0  0  0
 27 26  1  0  0  0  0
  5  3  1  0  0  0  0
  7  9  1  0  0  0  0
 18 16  1  0  0  0  0
M  END
>  <Mol_ID> (4,955)
4955

>  <Formula> (4,955)
C19H21NO5S2

>  <MolWeight> (4,955)
407.50374

>  <COMPOUND_NAME> (4,955)
WAY-652300

>  <BAR_CODE_NO> (4,955)
90486975

$$$$
WAY-652331
csChFnd80/06171916332D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.2208    0.9583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083    0.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208    1.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2583   -0.0875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4083   -2.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4875    1.3708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083    2.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7083   -0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9625   -1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417    2.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708   -2.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3917   -1.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3625    3.0833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000   -0.5292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4708   -3.0542    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.6500   -1.1417    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.6917   -3.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1125   -3.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9500   -2.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292    3.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2000    1.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792    3.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8667    2.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  9  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  2  0  0  0  0
  8  4  1  0  0  0  0
  9  8  1  0  0  0  0
 10  3  1  0  0  0  0
 11  5  2  0  0  0  0
 12  5  1  0  0  0  0
 13 10  2  0  0  0  0
 14  8  2  0  0  0  0
 15 11  1  0  0  0  0
 16 12  1  0  0  0  0
 17 19  1  0  0  0  0
 18 11  1  0  0  0  0
 19 12  2  0  0  0  0
 20 13  1  0  0  0  0
 21 10  1  0  0  0  0
 22 23  1  0  0  0  0
 23 21  2  0  0  0  0
  6  7  1  0  0  0  0
 22 20  2  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (4,956)
4956

>  <Formula> (4,956)
C16H11Cl2N3OS

>  <MolWeight> (4,956)
364.24904

>  <COMPOUND_NAME> (4,956)
WAY-652331

>  <BAR_CODE_NO> (4,956)
90487006

$$$$
WAY-652415
csChFnd80/06171916332D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.2958    1.1333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3333    0.0875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5625    1.5458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833    2.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833   -0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1875   -3.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750    2.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2875    3.2583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6167   -3.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7375   -2.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0250   -0.3542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833   -1.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0375   -1.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8750   -2.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458   -4.1042    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.3167   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667   -3.7625    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.9542    3.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1292    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7042    3.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7917    2.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  2  0  0  0  0
  7  4  1  0  0  0  0
  8 12  1  0  0  0  0
  9  3  1  0  0  0  0
 10  9  2  0  0  0  0
 11 16  1  0  0  0  0
 12 14  2  0  0  0  0
 13  7  2  0  0  0  0
 14 15  1  0  0  0  0
 15  7  1  0  0  0  0
 16 18  2  0  0  0  0
 17  8  1  0  0  0  0
 18 14  1  0  0  0  0
 19 11  1  0  0  0  0
 20 10  1  0  0  0  0
 21  9  1  0  0  0  0
 22 23  1  0  0  0  0
 23 21  2  0  0  0  0
  5  6  1  0  0  0  0
 22 20  2  0  0  0  0
 11  8  2  0  0  0  0
M  END
>  <Mol_ID> (4,957)
4957

>  <Formula> (4,957)
C16H11Cl2N3OS

>  <MolWeight> (4,957)
364.24904

>  <COMPOUND_NAME> (4,957)
WAY-652415

>  <BAR_CODE_NO> (4,957)
90487090

$$$$
WAY-652435
csChFnd80/06171916332D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -1.5458    0.6083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583    0.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0333   -0.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458   -0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6625    0.5083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0958    0.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1667   -0.1667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292    0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0792    0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5042   -0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8000   -1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  7  1  0  0  0  0
  7  2  1  0  0  0  0
  8 11  1  0  0  0  0
  9  6  1  0  0  0  0
 10  6  1  0  0  0  0
 11 10  1  0  0  0  0
 12  9  1  0  0  0  0
 13  5  1  0  0  0  0
  3  5  2  0  0  0  0
  8 12  1  0  0  0  0
M  END
>  <Mol_ID> (4,958)
4958

>  <Formula> (4,958)
C9H15N3O

>  <MolWeight> (4,958)
181.2349

>  <COMPOUND_NAME> (4,958)
WAY-652435

>  <BAR_CODE_NO> (4,958)
90487110

$$$$
WAY-652436
csChFnd80/06171916332D

 17 18  0  0  0  0  0  0  0  0999 V2000
    1.2792   -0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0125   -0.6875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792   -1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000   -1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9500    0.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8125   -0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8667    1.0333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7042   -0.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417    0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2250    0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417   -2.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8125    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0500    0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4625    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2250    1.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0500    1.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  6  2  0  0  0  0
  9  6  1  0  0  0  0
 10  3  1  0  0  0  0
 11  7  1  0  0  0  0
 12  5  1  0  0  0  0
 13 11  1  0  0  0  0
 14 11  2  0  0  0  0
 15 14  1  0  0  0  0
 16 13  2  0  0  0  0
 17 15  2  0  0  0  0
  2  5  1  0  0  0  0
 17 16  1  0  0  0  0
M  END
>  <Mol_ID> (4,959)
4959

>  <Formula> (4,959)
C14H15NO2

>  <MolWeight> (4,959)
229.2744

>  <COMPOUND_NAME> (4,959)
WAY-652436

>  <BAR_CODE_NO> (4,959)
90487111

$$$$
WAY-652507
csChFnd80/06171916332D

 24 26  0  0  0  0  0  0  0  0999 V2000
   12.0961    9.0995    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.1434    6.2416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1434    5.4162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4024    8.7249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5053    8.4058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6937    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4289    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4289    6.6510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8647    5.0070    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8509    6.6578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9839    9.4671    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4024    7.9064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6879    9.1273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7213    5.4162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8509    7.4902    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7213    6.2416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5723    5.4232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5723    6.2486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9873    8.7179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6949    7.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.0138    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.9873    7.9134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5585    7.9064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2798    7.4902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 10  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  2  0  0  0  0
  7  3  2  0  0  0  0
  8  2  2  0  0  0  0
  9  3  1  0  0  0  0
 10 15  1  0  0  0  0
 11  1  1  0  0  0  0
 12  4  2  0  0  0  0
 13  4  1  0  0  0  0
 14 16  2  0  0  0  0
 15 23  1  0  0  0  0
 16  8  1  0  0  0  0
 17 18  1  0  0  0  0
 18 10  2  0  0  0  0
 19 13  2  0  0  0  0
 20 12  1  0  0  0  0
 21 14  1  0  0  0  0
 22 19  1  0  0  0  0
 23 24  1  0  0  0  0
 24 22  1  0  0  0  0
 20 22  2  0  0  0  0
 17  9  2  0  0  0  0
  7 14  1  0  0  0  0
M  END
>  <Mol_ID> (4,960)
4960

>  <Formula> (4,960)
C17H16ClN3O2S

>  <MolWeight> (4,960)
361.84584

>  <COMPOUND_NAME> (4,960)
WAY-652507

>  <BAR_CODE_NO> (4,960)
90487183

$$$$
WAY-652509
csChFnd80/06171916332D

 19 21  0  0  0  0  0  0  0  0999 V2000
    7.1555    6.2412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1431    5.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4315    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4397    6.6467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8588    5.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8712    6.6467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8712    7.4823    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0143    7.8878    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7240    5.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2986    7.4823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5829    7.8961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7240    6.2412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5745    5.4055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5745    6.2412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.7176    7.4823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2903    6.6549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7176    6.6467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0060    6.2412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 11  7  1  0  0  0  0
 12  4  2  0  0  0  0
 13  5  2  0  0  0  0
 14  6  2  0  0  0  0
 15  9  1  0  0  0  0
 16  8  2  0  0  0  0
 17 10  2  0  0  0  0
 18 19  2  0  0  0  0
 19 17  1  0  0  0  0
 14 13  1  0  0  0  0
  3  9  2  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (4,961)
4961

>  <Formula> (4,961)
C15H12ClN3

>  <MolWeight> (4,961)
269.72888

>  <COMPOUND_NAME> (4,961)
WAY-652509

>  <BAR_CODE_NO> (4,961)
90487185

$$$$
WAY-652520
csChFnd80/06171916332D

 14 15  0  0  0  0  0  0  0  0999 V2000
    0.6042    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0875   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8667   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0875    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8667    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292    1.4583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292   -1.4500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833   -0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3833   -0.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3833    0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0333    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0333   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  4  2  0  0  0  0
  8  2  1  0  0  0  0
  9  6  1  0  0  0  0
 10  6  1  0  0  0  0
 11 10  1  0  0  0  0
 12  9  1  0  0  0  0
 13 12  1  0  0  0  0
 14 11  1  0  0  0  0
  5  3  1  0  0  0  0
 14 13  1  0  0  0  0
M  END
>  <Mol_ID> (4,962)
4962

>  <Formula> (4,962)
C10H16N2OS

>  <MolWeight> (4,962)
212.31184

>  <COMPOUND_NAME> (4,962)
WAY-652520

>  <BAR_CODE_NO> (4,962)
90487196

$$$$
WAY-652522
csChFnd80/06171916332D

 23 26  0  0  0  0  0  0  0  0999 V2000
    0.4292    0.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7042    0.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292    0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    1.2458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5292    0.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958    0.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833   -1.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958    0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3875   -1.5542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4667   -0.8750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9500   -1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292   -2.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9417    1.2958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958   -2.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9417   -0.1375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6458   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6458    1.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8083    0.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8  2  1  0  0  0  0
  9  6  2  0  0  0  0
 10  6  1  0  0  0  0
 11  9  1  0  0  0  0
 12 10  1  0  0  0  0
 13  3  1  0  0  0  0
 14 10  2  0  0  0  0
 15 12  1  0  0  0  0
 16  8  2  0  0  0  0
 17 14  1  0  0  0  0
 18  8  1  0  0  0  0
 19  9  1  0  0  0  0
 20 11  1  0  0  0  0
 21 19  1  0  0  0  0
 22 20  1  0  0  0  0
 23 21  1  0  0  0  0
  5  2  1  0  0  0  0
 11  7  2  0  0  0  0
 15 17  2  0  0  0  0
 23 22  1  0  0  0  0
M  END
>  <Mol_ID> (4,963)
4963

>  <Formula> (4,963)
C17H17N3OS2

>  <MolWeight> (4,963)
343.46638

>  <COMPOUND_NAME> (4,963)
WAY-652522

>  <BAR_CODE_NO> (4,963)
90487198

$$$$
WAY-652530
csChFnd80/06171916332D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.8761    0.4688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5174    0.6722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8726    0.0481    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2381    0.6757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1519    0.4653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5209    1.0895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5105   -0.1588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2381    1.0929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1519    0.0515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8795    1.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5105   -0.5761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1554   -0.7864    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8761   -0.7864    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2067   -0.5761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5653   -0.7830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9274   -0.5726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2860   -0.7830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9274   -0.1588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6481   -0.5761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2860    0.0515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6515   -0.1588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (4,964)
4964

>  <Formula> (4,964)
C18H16N2O

>  <MolWeight> (4,964)
276.33244

>  <COMPOUND_NAME> (4,964)
WAY-652530

>  <BAR_CODE_NO> (4,964)
90487206

$$$$
WAY-652552
csChFnd80/06171916332D

 26 29  0  0  0  0  0  0  0  0999 V2000
    1.5917   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8667   -0.6667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4708   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9500    0.3083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0792   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542   -0.3667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7375    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8667   -1.4917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0792   -1.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9500   -1.0292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7375   -0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4083    0.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542   -1.7917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    0.1958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8250    0.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8250   -2.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8250    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3208    1.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792    0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0167    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7375    1.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167    1.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7625    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9833    1.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167    1.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  4  2  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9 10  1  0  0  0  0
 10  1  2  0  0  0  0
 11  4  1  0  0  0  0
 12 11  1  0  0  0  0
 13  8  1  0  0  0  0
 14  2  2  0  0  0  0
 15 13  2  0  0  0  0
 16  6  1  0  0  0  0
 17 10  1  0  0  0  0
 18 15  1  0  0  0  0
 19 13  1  0  0  0  0
 20 16  1  0  0  0  0
 21 16  2  0  0  0  0
 22 25  1  0  0  0  0
 23 20  2  0  0  0  0
 24 21  1  0  0  0  0
 25 19  2  0  0  0  0
 26 24  2  0  0  0  0
  3  9  1  0  0  0  0
 26 23  1  0  0  0  0
 12  8  2  0  0  0  0
 22 18  2  0  0  0  0
M  END
>  <Mol_ID> (4,965)
4965

>  <Formula> (4,965)
C19H14N4O2S

>  <MolWeight> (4,965)
362.40506

>  <COMPOUND_NAME> (4,965)
WAY-652552

>  <BAR_CODE_NO> (4,965)
90487229

$$$$
WAY-652641
csChFnd80/06171916332D

 14 14  0  0  0  0  0  0  0  0999 V2000
    0.7375   -0.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9417   -0.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417   -1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0875    0.0208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1875   -0.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7708   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542    0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7042   -1.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458    0.4333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5708   -0.5750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667    1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4917    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542    1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  1  1  0  0  0  0
  9  2  2  0  0  0  0
 10  7  2  0  0  0  0
 11  7  1  0  0  0  0
 12  8  1  0  0  0  0
 13 12  1  0  0  0  0
 14 12  1  0  0  0  0
  3  4  2  0  0  0  0
M  END
>  <Mol_ID> (4,966)
4966

>  <Formula> (4,966)
C9H14N2O3

>  <MolWeight> (4,966)
198.21906

>  <COMPOUND_NAME> (4,966)
WAY-652641

>  <BAR_CODE_NO> (4,966)
90487318

$$$$
WAY-652645
csChFnd80/06171916332D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -0.8625    0.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667    0.0958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5500   -0.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5750    0.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667   -1.2417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792   -0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4500    0.9625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2750   -0.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458   -0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667   -1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3750   -0.5750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6625    1.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3333    0.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8833    0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4708    1.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  6  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8  4  2  0  0  0  0
  9 13  1  0  0  0  0
 10  1  2  0  0  0  0
 11  1  2  0  0  0  0
 12  4  1  0  0  0  0
 13 12  2  0  0  0  0
 14  3  1  0  0  0  0
 15  5  1  0  0  0  0
 16  5  1  0  0  0  0
 17 16  1  0  0  0  0
 18 15  1  0  0  0  0
 17 18  1  0  0  0  0
  9  6  2  0  0  0  0
  7  3  1  0  0  0  0
M  END
>  <Mol_ID> (4,967)
4967

>  <Formula> (4,967)
C11H13N3O3S

>  <MolWeight> (4,967)
267.30422

>  <COMPOUND_NAME> (4,967)
WAY-652645

>  <BAR_CODE_NO> (4,967)
90487322

$$$$
WAY-652646
csChFnd80/06171916332D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -0.6180   -0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0945   -0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6180    0.6875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0945   -1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8111   -0.1375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3347   -0.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8111   -1.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5236   -0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5236   -1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8111   -2.6125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0945    1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3347    1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3347    1.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0945    1.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6180    2.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  2  2  0  0  0  0
  6  1  2  0  0  0  0
  7  4  2  0  0  0  0
  8  5  1  0  0  0  0
  9  7  1  0  0  0  0
 10  7  1  0  0  0  0
 11  3  1  0  0  0  0
 12  3  1  0  0  0  0
 13 12  1  0  0  0  0
 14 11  1  0  0  0  0
 15 13  1  0  0  0  0
 15 14  1  0  0  0  0
  8  9  2  0  0  0  0
M  END
>  <Mol_ID> (4,968)
4968

>  <Formula> (4,968)
C11H13ClN2O

>  <MolWeight> (4,968)
224.68672

>  <COMPOUND_NAME> (4,968)
WAY-652646

>  <BAR_CODE_NO> (4,968)
90487323

$$$$
WAY-652650
csChFnd80/06171916332D

 12 13  0  0  0  0  0  0  0  0999 V2000
    0.4167   -0.4292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000   -1.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000    0.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6875   -0.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8208    0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4083   -0.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8125    1.1833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6875   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6458    0.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833    1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1000    1.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6417   -1.8792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  7  9  1  0  0  0  0
  8  3  2  0  0  0  0
  9  5  2  0  0  0  0
 10  5  1  0  0  0  0
 11 10  2  0  0  0  0
 12  2  1  0  0  0  0
  8  4  1  0  0  0  0
  7 11  1  0  0  0  0
M  END
>  <Mol_ID> (4,969)
4969

>  <Formula> (4,969)
C8H9N3S

>  <MolWeight> (4,969)
179.24216

>  <COMPOUND_NAME> (4,969)
WAY-652650

>  <BAR_CODE_NO> (4,969)
90487328

$$$$
WAY-652654
csChFnd80/06171916332D

 21 22  0  0  0  0  0  0  0  0999 V2000
    1.4792    0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167   -0.4917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917    1.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667    1.5458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2250   -0.3167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792    1.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3875   -0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458   -0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917   -1.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417    0.3208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0000   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6458   -1.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4500   -1.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3000    0.3958    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.1667    1.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2250    2.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9292    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8083   -1.1792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0625   -1.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  1  2  0  0  0  0
  4  7  2  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11  2  2  0  0  0  0
 12  2  2  0  0  0  0
 13 15  1  0  0  0  0
 14  8  1  0  0  0  0
 15 14  2  0  0  0  0
 16 10  1  0  0  0  0
 17  3  1  0  0  0  0
 18  6  1  0  0  0  0
 19  7  1  0  0  0  0
 20 13  1  0  0  0  0
 21 20  1  0  0  0  0
  6  4  1  0  0  0  0
 13 10  2  0  0  0  0
M  END
>  <Mol_ID> (4,970)
4970

>  <Formula> (4,970)
C13H16BrN3O3S

>  <MolWeight> (4,970)
374.25344

>  <COMPOUND_NAME> (4,970)
WAY-652654

>  <BAR_CODE_NO> (4,970)
90487332

$$$$
WAY-652773
csChFnd80/06171916332D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -0.7564    0.4128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6460   -0.2251    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3023    0.0611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0977    1.5024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5529    0.4404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2023    0.7231    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3229   -1.0562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2184    1.5024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6288    0.0887    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.1298    0.0955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4081    0.8162    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8529   -1.0803    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.1367    0.5852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0471   -1.0182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0643   -0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9747   -1.6458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9816   -1.1562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
  5  8  2  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (4,971)
4971

>  <Formula> (4,971)
C10H7N3O3S

>  <MolWeight> (4,971)
249.24588

>  <COMPOUND_NAME> (4,971)
WAY-652773

>  <BAR_CODE_NO> (4,971)
90487456

$$$$
WAY-652798
csChFnd80/06171916332D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.9750   -0.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542   -0.8625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1500   -0.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2625    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542    0.4708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2417   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0875    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2417    0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1500    1.2333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9125   -1.0917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -0.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    1.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0875   -0.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3250   -0.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3250    1.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7375    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8  5  1  0  0  0  0
  9  4  2  0  0  0  0
 10  6  2  0  0  0  0
 11  7  2  0  0  0  0
 12  2  1  0  0  0  0
 13  7  1  0  0  0  0
 14 11  1  0  0  0  0
 15 11  1  0  0  0  0
 16 13  2  0  0  0  0
 17 16  1  0  0  0  0
  8  6  1  0  0  0  0
 17 15  2  0  0  0  0
M  END
>  <Mol_ID> (4,972)
4972

>  <Formula> (4,972)
C13H13NO2S

>  <MolWeight> (4,972)
247.31282

>  <COMPOUND_NAME> (4,972)
WAY-652798

>  <BAR_CODE_NO> (4,972)
90487481

$$$$
WAY-652805-A
csChFnd80/06171916332D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -0.6791    0.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4342   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9929    0.9621    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2209   -0.2035    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2101    0.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9377    0.9414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9106    0.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1032   -0.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8140    0.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8204    0.3414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2791   -1.2035    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5037    0.8172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0313   -0.7483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4106    0.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9382   -1.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6278   -0.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  2  0  0  0  0
  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
  5  6  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (4,973)
4973

>  <Formula> (4,973)
C11H10N2O2S

>  <MolWeight> (4,973)
234.2743

>  <COMPOUND_NAME> (4,973)
WAY-652805

>  <BAR_CODE_NO> (4,973)
90487488

$$$$
WAY-652848
csChFnd80/06171916332D

 25 27  0  0  0  0  0  0  0  0999 V2000
    0.3667   -1.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3125   -0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    2.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792   -0.0667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208   -2.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4500    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083   -0.1042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292    1.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1500   -1.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8917    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667   -2.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1500   -2.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208    1.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208   -0.5917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1583    2.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042    3.2458    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.8667    2.1083    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.8125    3.3083    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3083   -0.9917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6750    0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9333   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0917   -3.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083   -1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3625   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  1  1  0  0  0  0
  4  9  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  2  0  0  0  0
  8  7  1  0  0  0  0
  9 11  2  0  0  0  0
 10  1  2  0  0  0  0
 11  2  1  0  0  0  0
 12  6  1  0  0  0  0
 13 10  1  0  0  0  0
 14  7  1  0  0  0  0
 15  3  2  0  0  0  0
 16  9  1  0  0  0  0
 17  4  1  0  0  0  0
 18  4  1  0  0  0  0
 19  4  1  0  0  0  0
 20 24  1  0  0  0  0
 21  8  1  0  0  0  0
 22  8  1  0  0  0  0
 23 12  1  0  0  0  0
 24 22  1  0  0  0  0
 25 21  1  0  0  0  0
 13 12  2  0  0  0  0
 16 14  2  0  0  0  0
 20 25  1  0  0  0  0
M  END
>  <Mol_ID> (4,974)
4974

>  <Formula> (4,974)
C17H17F3N2O3

>  <MolWeight> (4,974)
354.3236896

>  <COMPOUND_NAME> (4,974)
WAY-652848

>  <BAR_CODE_NO> (4,974)
90487531

$$$$
WAY-652941
csChFnd80/06171916332D

 28 30  0  0  0  0  0  0  0  0999 V2000
    2.2667   -2.1917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5875    1.9333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3083    1.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5875    2.7583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3083    3.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3083    0.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0208    1.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0208    2.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9792   -2.6042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5875    0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5542   -1.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8542   -2.9042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6792   -1.4792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5875   -0.5417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3083    3.9958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1250    0.6958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5542   -0.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417   -2.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1250   -0.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1250   -1.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417   -0.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9792   -3.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7333    1.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7333    3.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6917   -3.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667   -3.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4458    2.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4458    1.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  6  1  0  0  0  0
  4  2  1  0  0  0  0
  5  8  1  0  0  0  0
  6 10  1  0  0  0  0
  7  3  1  0  0  0  0
  8  7  2  0  0  0  0
  9  1  1  0  0  0  0
 10 14  1  0  0  0  0
 11  1  1  0  0  0  0
 12  1  2  0  0  0  0
 13  1  2  0  0  0  0
 14 19  1  0  0  0  0
 15  5  2  0  0  0  0
 16 10  2  0  0  0  0
 17 11  1  0  0  0  0
 18 11  2  0  0  0  0
 19 20  2  0  0  0  0
 20 18  1  0  0  0  0
 21 17  2  0  0  0  0
 22  9  1  0  0  0  0
 23  7  1  0  0  0  0
 24  8  1  0  0  0  0
 25 22  1  0  0  0  0
 26 22  1  0  0  0  0
 27 28  1  0  0  0  0
 28 23  2  0  0  0  0
 19 21  1  0  0  0  0
  5  4  1  0  0  0  0
 27 24  2  0  0  0  0
M  END
>  <Mol_ID> (4,975)
4975

>  <Formula> (4,975)
C19H20N4O4S

>  <MolWeight> (4,975)
400.4515

>  <COMPOUND_NAME> (4,975)
WAY-652941

>  <BAR_CODE_NO> (4,975)
90487624

$$$$
WAY-652967-A
csChFnd80/06171916332D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.2066    1.5476    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2066    2.5476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0721    1.0476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6589    1.0476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6589    3.0476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0721    0.0476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6589    0.0476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5244    2.5476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6589    4.0476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2066   -0.4524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3934    3.0476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5279    4.5476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2066   -1.4524    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3934    4.0476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0721   -1.9524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0721   -2.9524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2066   -3.4524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9376   -3.4524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2066   -4.4524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9376   -4.4524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0721   -4.9524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
  7 10  1  0  0  0  0
 12 14  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (4,976)
4976

>  <Formula> (4,976)
C19H24N2

>  <MolWeight> (4,976)
280.40726

>  <COMPOUND_NAME> (4,976)
WAY-652967

>  <BAR_CODE_NO> (4,976)
90487650

$$$$
WAY-652968-A
csChFnd80/06171916332D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.3071    2.1346    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2623    2.6898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6550    2.6864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3071    1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2174    2.1381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6067    2.1346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6550    0.4760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2209    1.0277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1761    2.6898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6067    1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1726    0.4795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1347    2.1346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5653    0.4795    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1312    1.0346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5653   -0.6274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6101   -1.1826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6101   -2.2861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5688   -2.8378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6515   -2.8447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5653   -3.9481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6550   -3.9447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6136   -4.4964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  8 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
  7 10  1  0  0  0  0
 12 14  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (4,977)
4977

>  <Formula> (4,977)
C20H26N2

>  <MolWeight> (4,977)
294.43384

>  <COMPOUND_NAME> (4,977)
WAY-652968

>  <BAR_CODE_NO> (4,977)
90487651

$$$$
WAY-652969-A
csChFnd80/06171916332D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -0.3900    0.7451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3238    1.1589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3865   -0.0859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1037    1.1520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0411    0.7486    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1003   -0.4997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8141    0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0445   -0.0756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8175   -0.0859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3825   -0.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7169   -0.5549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6376   -1.3445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4652   -1.3411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
  7  9  2  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <Mol_ID> (4,978)
4978

>  <Formula> (4,978)
C12H17N

>  <MolWeight> (4,978)
175.27008

>  <COMPOUND_NAME> (4,978)
WAY-652969

>  <BAR_CODE_NO> (4,978)
90487652

$$$$
WAY-652970-A
csChFnd80/06171916332D

 14 15  0  0  0  0  0  0  0  0999 V2000
    2.9618   -6.4564    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9779   -7.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4236   -5.0015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5243  -10.1590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5082   -9.0274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0471  -11.6139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0100   -9.8510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8785   -4.5243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5383   -3.7622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0415  -10.9826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0786  -12.7454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4236   -2.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8785   -3.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5643  -12.4221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  4  2  0  0  0  0
  8  3  1  0  0  0  0
  9  3  1  0  0  0  0
 10  7  1  0  0  0  0
 11  6  2  0  0  0  0
 12  9  1  0  0  0  0
 13  8  1  0  0  0  0
 14 10  2  0  0  0  0
 12 13  1  0  0  0  0
 14 11  1  0  0  0  0
M  END
>  <Mol_ID> (4,979)
4979

>  <Formula> (4,979)
C13H19N

>  <MolWeight> (4,979)
189.29666

>  <COMPOUND_NAME> (4,979)
WAY-652970

>  <BAR_CODE_NO> (4,979)
90487653

$$$$
WAY-652972-A
csChFnd80/06171916332D

 21 23  0  0  0  0  0  0  0  0999 V2000
    2.2586   -0.4519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4379   -0.9381    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2586    0.4964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9828   -1.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6138   -0.4588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0448    1.0654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9000   -0.8691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6138    0.4826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2172   -0.9553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9276    0.8619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3793   -0.0174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2172    0.9688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0414   -0.4726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0414    0.4826    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8724    0.9550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6896    0.4516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5103    0.9378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6896   -0.4726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3103    0.4585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5172   -0.9588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3103   -0.5036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 10 11  1  0  0  0  0
 13 14  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (4,980)
4980

>  <Formula> (4,980)
C19H30N2

>  <MolWeight> (4,980)
286.4549

>  <COMPOUND_NAME> (4,980)
WAY-652972

>  <BAR_CODE_NO> (4,980)
90487655

$$$$
WAY-652974-A
csChFnd80/06171916332D

 22 24  0  0  0  0  0  0  0  0999 V2000
    5.1092  -12.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5383  -14.0532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8161  -13.2450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6627  -13.8915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7930  -11.6670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4254  -11.6670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1092   -7.8570    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4254   -7.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1092   -9.3810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4254  -10.1430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7930  -10.1430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4254   -5.5710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1695  -14.2301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7018  -14.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1092   -4.8090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7569   -4.8090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2477  -16.4546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7308  -15.6849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7569   -3.2850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1092   -3.2850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4254   -2.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7622  -16.8010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  3  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  9  1  0  0  0  0
  8  7  1  0  0  0  0
  9 11  1  0  0  0  0
 10  6  1  0  0  0  0
 11  5  1  0  0  0  0
 12  8  1  0  0  0  0
 13  4  1  0  0  0  0
 14  4  2  0  0  0  0
 15 12  2  0  0  0  0
 16 12  1  0  0  0  0
 17 14  1  0  0  0  0
 18 13  2  0  0  0  0
 19 16  2  0  0  0  0
 20 15  1  0  0  0  0
 21 19  1  0  0  0  0
 22 17  2  0  0  0  0
  9 10  1  0  0  0  0
 22 18  1  0  0  0  0
 21 20  2  0  0  0  0
M  END
>  <Mol_ID> (4,981)
4981

>  <Formula> (4,981)
C20H22N2

>  <MolWeight> (4,981)
290.40208

>  <COMPOUND_NAME> (4,981)
WAY-652974

>  <BAR_CODE_NO> (4,981)
90487657

$$$$
WAY-652975-A
csChFnd80/06171916332D

 23 25  0  0  0  0  0  0  0  0999 V2000
    5.1090  -12.4132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5383  -14.0448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8160  -13.2366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6626  -13.8831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7929  -11.6512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4252  -11.6512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1090   -7.8414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1090   -9.3653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7929  -10.1273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4252  -10.1273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4252   -7.0794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7566   -4.7935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4252   -5.5555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1695  -14.2142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7016  -14.9992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7566   -3.2696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0727   -5.5555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2476  -16.4539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7308  -15.6688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3966   -4.7935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0727   -2.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3966   -3.2696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7621  -16.7924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  3  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
 10  6  1  0  0  0  0
 11  7  1  0  0  0  0
 12 13  1  0  0  0  0
 13 11  1  0  0  0  0
 14  4  1  0  0  0  0
 15  4  2  0  0  0  0
 16 12  2  0  0  0  0
 17 12  1  0  0  0  0
 18 15  1  0  0  0  0
 19 14  2  0  0  0  0
 20 17  2  0  0  0  0
 21 16  1  0  0  0  0
 22 20  1  0  0  0  0
 23 18  2  0  0  0  0
  8 10  1  0  0  0  0
 23 19  1  0  0  0  0
 22 21  2  0  0  0  0
M  END
>  <Mol_ID> (4,982)
4982

>  <Formula> (4,982)
C21H24N2

>  <MolWeight> (4,982)
304.42866

>  <COMPOUND_NAME> (4,982)
WAY-652975

>  <BAR_CODE_NO> (4,982)
90487658

$$$$
WAY-652999
csChFnd80/06171916332D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -2.8362   -0.1494    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6555    2.1006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3555    1.3506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0555    2.1006    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9555    1.3548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1320   -0.9077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5445    2.1006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2362   -0.1494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8445    1.3506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5362   -0.8994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2445    1.3506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9638    0.1548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1320   -2.4077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6555    3.6006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2555    2.1131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8237   -3.1494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4237   -3.1619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9555    4.3548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2555    3.6131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4195   -4.6619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8195   -4.6494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1154   -5.4077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4 11  1  0  0  0  0
  5  2  2  0  0  0  0
  6  1  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9  1  1  0  0  0  0
 10  1  1  0  0  0  0
 11  8  1  0  0  0  0
 12  5  1  0  0  0  0
 13  6  1  0  0  0  0
 14  2  1  0  0  0  0
 15  5  1  0  0  0  0
 16 13  2  0  0  0  0
 17 13  1  0  0  0  0
 18 14  2  0  0  0  0
 19 18  1  0  0  0  0
 20 17  2  0  0  0  0
 21 16  1  0  0  0  0
 22 20  1  0  0  0  0
  7 11  1  0  0  0  0
 21 22  2  0  0  0  0
 15 19  2  0  0  0  0
M  END
>  <Mol_ID> (4,983)
4983

>  <Formula> (4,983)
C19H24N2O

>  <MolWeight> (4,983)
296.40666

>  <COMPOUND_NAME> (4,983)
WAY-652999

>  <BAR_CODE_NO> (4,983)
90487682

$$$$
WAY-653002-A
csChFnd80/06171916332D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -2.3794   -0.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3829    0.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6622   -1.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0967   -1.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0967    0.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6691    0.6310    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.9484   -0.6138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8104   -0.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8104    0.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6691    1.4586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9518    0.2241    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.1277   -0.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792   -1.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0965   -1.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1033    0.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5102   -0.6172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3378   -0.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7551    0.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5792    0.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3447    0.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9896    0.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7516    1.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5792    1.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
  8  9  2  0  0  0  0
 16 17  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (4,984)
4984

>  <Formula> (4,984)
C19H23N3O2

>  <MolWeight> (4,984)
325.40482

>  <COMPOUND_NAME> (4,984)
WAY-653002

>  <BAR_CODE_NO> (4,984)
90487685

$$$$
WAY-653005
csChFnd80/06171916332D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -0.2208    1.6708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2625    1.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.5625   -0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000   -1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042   -1.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0583   -0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583   -2.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2625    2.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0500    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0500    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  2  2  0  0  0  0
  6  8  2  0  0  0  0
  7  4  2  0  0  0  0
  8  5  1  0  0  0  0
  9  6  1  0  0  0  0
 10  1  1  0  0  0  0
 11  3  1  0  0  0  0
 12  9  1  0  0  0  0
 13 10  1  0  0  0  0
 13 11  1  0  0  0  0
  7  6  1  0  0  0  0
M  END
>  <Mol_ID> (4,985)
4985

>  <Formula> (4,985)
C11H15NO

>  <MolWeight> (4,985)
177.2429

>  <COMPOUND_NAME> (4,985)
WAY-653005

>  <BAR_CODE_NO> (4,985)
90487688

$$$$
WAY-653011
csChFnd80/06171916332D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -0.9344    0.7450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7930    1.0761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1551    1.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7551   -0.1446    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9344    2.0174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5344    0.4761    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3447    2.2657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7654   -1.1343    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6758   -0.2550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1967   -0.2826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2240    2.6174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4240    0.8174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4242    2.8968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0553   -1.6343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2656    2.5450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2346    3.8347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8760   -1.1343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0553   -2.5550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6656   -1.6343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8760   -3.0136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6656   -2.5550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5553   -1.3343    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5553   -2.8550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1139   -2.0929    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 14 17  2  0  0  0  0
 14 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
  7 11  2  0  0  0  0
 20 21  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (4,986)
4986

>  <Formula> (4,986)
C15H13N3O5S

>  <MolWeight> (4,986)
347.34582

>  <COMPOUND_NAME> (4,986)
WAY-653011

>  <BAR_CODE_NO> (4,986)
90487694

$$$$
WAY-653029
csChFnd80/06171916332D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -1.7875    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5083    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0750    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5083    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9292   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7875    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0750    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2125   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2125   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9292   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2208    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2208    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9333    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9333    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3 10  1  0  0  0  0
  4  1  1  0  0  0  0
  5  7  1  0  0  0  0
  6  5  2  0  0  0  0
  7  1  2  0  0  0  0
  8  4  2  0  0  0  0
  9 20  1  0  0  0  0
 10 16  2  0  0  0  0
 11 15  1  0  0  0  0
 12 14  2  0  0  0  0
 13  6  1  0  0  0  0
 14  7  1  0  0  0  0
 15 13  2  0  0  0  0
 16 13  1  0  0  0  0
 17  2  1  0  0  0  0
 18  2  1  0  0  0  0
 19 17  1  0  0  0  0
 20 18  1  0  0  0  0
 21  4  1  0  0  0  0
 22  8  1  0  0  0  0
 23 21  2  0  0  0  0
 24 23  1  0  0  0  0
  8 12  1  0  0  0  0
 24 22  2  0  0  0  0
  3 11  2  0  0  0  0
  9 19  1  0  0  0  0
M  END
>  <Mol_ID> (4,987)
4987

>  <Formula> (4,987)
C21H20N2O

>  <MolWeight> (4,987)
316.3963

>  <COMPOUND_NAME> (4,987)
WAY-653029

>  <BAR_CODE_NO> (4,987)
90487712

$$$$
WAY-653157
csChFnd80/06171916332D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.8833    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2625   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9792   -1.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9792   -0.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6917   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2625   -1.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6917   -1.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833   -0.0542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5500   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5500   -1.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1625   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3083    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1625    1.1833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4042   -0.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1625   -1.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3083   -0.0542    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958    2.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9792   -2.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0208    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3083    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0208    2.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 10  1  0  0  0  0
  3  1  1  0  0  0  0
  4  7  1  0  0  0  0
  5  2  1  0  0  0  0
  6  5  1  0  0  0  0
  7 11  1  0  0  0  0
  8  4  2  0  0  0  0
  9  1  1  0  0  0  0
 10 12  2  0  0  0  0
 11 16  2  0  0  0  0
 12  9  1  0  0  0  0
 13  3  2  0  0  0  0
 14  1  2  0  0  0  0
 15  6  2  0  0  0  0
 16 12  1  0  0  0  0
 17 13  1  0  0  0  0
 18  3  1  0  0  0  0
 19  4  1  0  0  0  0
 20 13  1  0  0  0  0
 21 18  2  0  0  0  0
 22 21  1  0  0  0  0
 22 20  2  0  0  0  0
  7  2  2  0  0  0  0
  6  8  1  0  0  0  0
M  END
>  <Mol_ID> (4,988)
4988

>  <Formula> (4,988)
C17H12ClNO3

>  <MolWeight> (4,988)
313.73508

>  <COMPOUND_NAME> (4,988)
WAY-653157

>  <BAR_CODE_NO> (4,988)
90487840

$$$$
WAY-653163
csChFnd80/06171916332D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.3292   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0417   -1.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0417   -0.1667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7542   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292   -1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8125    0.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7542   -1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8125   -0.1667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6167   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6167   -1.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5333    1.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1000   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1000    1.0708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4667   -0.1667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5333    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2458    0.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1000   -1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9583    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2458    2.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9583    1.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6708    2.3083    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0417   -2.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  1  2  0  0  0  0
  6  8  1  0  0  0  0
  7  2  2  0  0  0  0
  8 12  1  0  0  0  0
  9  1  1  0  0  0  0
 10  5  1  0  0  0  0
 11  6  1  0  0  0  0
 12  9  2  0  0  0  0
 13  6  2  0  0  0  0
 14  4  2  0  0  0  0
 15 11  1  0  0  0  0
 16 11  2  0  0  0  0
 17 12  1  0  0  0  0
 18 20  2  0  0  0  0
 19 15  2  0  0  0  0
 20 16  1  0  0  0  0
 21 18  1  0  0  0  0
 22  2  1  0  0  0  0
 17 10  2  0  0  0  0
  4  7  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (4,989)
4989

>  <Formula> (4,989)
C17H12ClNO3

>  <MolWeight> (4,989)
313.73508

>  <COMPOUND_NAME> (4,989)
WAY-653163

>  <BAR_CODE_NO> (4,989)
90487846

$$$$
WAY-653167
csChFnd80/06171916332D

 28 30  0  0  0  0  0  0  0  0999 V2000
   -1.7125    1.5083    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2625    2.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042   -0.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0083    2.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8542   -1.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2250    3.1708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000   -2.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1583    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917   -0.9417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4958    3.5833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917   -2.3417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1000    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3250    0.9583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5375   -3.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5542    0.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2250    3.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0083    4.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4208    0.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583    1.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708   -3.2917    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.0917   -3.7375    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8625   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6625   -1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1542   -2.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2125   -1.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9542   -2.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  9  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  2  0  0  0  0
  7  5  2  0  0  0  0
  8  1  1  0  0  0  0
  9 20  1  0  0  0  0
 10  4  1  0  0  0  0
 11  7  1  0  0  0  0
 12  1  2  0  0  0  0
 13  1  2  0  0  0  0
 14 11  1  0  0  0  0
 15  3  2  0  0  0  0
 16  6  1  0  0  0  0
 17 10  1  0  0  0  0
 18  8  2  0  0  0  0
 19  8  1  0  0  0  0
 20 24  1  0  0  0  0
 21 14  1  0  0  0  0
 22 14  1  0  0  0  0
 23 18  1  0  0  0  0
 24 19  2  0  0  0  0
 25  5  1  0  0  0  0
 26  7  1  0  0  0  0
 27 25  2  0  0  0  0
 28 27  1  0  0  0  0
 20 23  2  0  0  0  0
 17 16  2  0  0  0  0
 28 26  2  0  0  0  0
M  END
>  <Mol_ID> (4,990)
4990

>  <Formula> (4,990)
C17H13F2N3O4S2

>  <MolWeight> (4,990)
425.4296264

>  <COMPOUND_NAME> (4,990)
WAY-653167

>  <BAR_CODE_NO> (4,990)
90487850

$$$$
WAY-653261
csChFnd80/06171916332D

 25 27  0  0  0  0  0  0  0  0999 V2000
    3.6000    0.8958    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1208   -0.7542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6875   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0250   -0.3417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4083   -0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8792    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1875    1.6083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0125    0.1833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8333   -0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7417   -0.7542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.3125    1.3083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542   -0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6875   -1.5792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4083    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8792   -0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1667    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1667   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8333    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1208    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5458   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7417   -1.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5458    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2583   -0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2583    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  2  0  0  0  0
  3  4  1  0  0  0  0
  4 10  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  1  2  0  0  0  0
  8  1  2  0  0  0  0
  9  2  1  0  0  0  0
 10 12  1  0  0  0  0
 11  1  1  0  0  0  0
 12 18  2  0  0  0  0
 13  3  2  0  0  0  0
 14  5  1  0  0  0  0
 15  6  1  0  0  0  0
 16  6  2  0  0  0  0
 17 15  2  0  0  0  0
 18 16  1  0  0  0  0
 19 20  1  0  0  0  0
 20 14  2  0  0  0  0
 21  9  1  0  0  0  0
 22 10  1  0  0  0  0
 23 19  1  0  0  0  0
 24 21  2  0  0  0  0
 25 23  2  0  0  0  0
 17 12  1  0  0  0  0
 19  9  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (4,991)
4991

>  <Formula> (4,991)
C18H17N3O3S

>  <MolWeight> (4,991)
355.41088

>  <COMPOUND_NAME> (4,991)
WAY-653261

>  <BAR_CODE_NO> (4,991)
90487944

$$$$
WAY-653272
csChFnd80/06171916332D

 27 29  0  0  0  0  0  0  0  0999 V2000
    1.5292    1.7458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2417    2.1583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3250   -0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0458   -1.1417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0458   -1.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9417    1.0333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167    2.4583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7583   -2.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7583   -3.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6125   -1.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3250   -2.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042    1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3250    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6125    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0458   -3.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4708   -1.9667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3250   -3.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6125    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2417    2.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9625    1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0458   -4.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750    2.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9625    3.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750    2.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4 15  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  1  2  0  0  0  0
  8  1  2  0  0  0  0
  9  6  2  0  0  0  0
 10  9  1  0  0  0  0
 11  4  2  0  0  0  0
 12  6  1  0  0  0  0
 13  3  1  0  0  0  0
 14  3  2  0  0  0  0
 15 16  1  0  0  0  0
 16 20  2  0  0  0  0
 17 19  1  0  0  0  0
 18  9  1  0  0  0  0
 19 12  2  0  0  0  0
 20 14  1  0  0  0  0
 21 13  2  0  0  0  0
 22  2  1  0  0  0  0
 23  2  1  0  0  0  0
 24 17  1  0  0  0  0
 25 23  1  0  0  0  0
 26 22  1  0  0  0  0
 27 25  1  0  0  0  0
 21 16  1  0  0  0  0
 27 26  1  0  0  0  0
 17 10  2  0  0  0  0
M  END
>  <Mol_ID> (4,992)
4992

>  <Formula> (4,992)
C20H24N2O4S

>  <MolWeight> (4,992)
388.48056

>  <COMPOUND_NAME> (4,992)
WAY-653272

>  <BAR_CODE_NO> (4,992)
90487955

$$$$
WAY-653300
csChFnd80/06171916332D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -0.3250   -2.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542   -2.6375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833   -1.5917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8083   -3.0500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542   -3.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3250   -3.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333   -0.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7792   -1.1542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3125    2.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667    1.8125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833   -0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0125    1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958    2.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8625    3.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042    3.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    3.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000    4.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  3  1  0  0  0  0
  8  7  2  0  0  0  0
  9 10  1  0  0  0  0
 10 13  1  0  0  0  0
 11  7  1  0  0  0  0
 12  6  1  0  0  0  0
 13 16  1  0  0  0  0
 14  9  2  0  0  0  0
 15  9  1  0  0  0  0
 16 11  1  0  0  0  0
 17 15  2  0  0  0  0
 18 14  1  0  0  0  0
 19 17  1  0  0  0  0
  5  6  2  0  0  0  0
 19 18  2  0  0  0  0
M  END
>  <Mol_ID> (4,993)
4993

>  <Formula> (4,993)
C14H16N2O2S

>  <MolWeight> (4,993)
276.35404

>  <COMPOUND_NAME> (4,993)
WAY-653300

>  <BAR_CODE_NO> (4,993)
90487983

$$$$
WAY-653389
csChFnd80/06171916332D

 23 25  0  0  0  0  0  0  0  0999 V2000
    0.1542    1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5625    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542    2.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5625    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5625    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2750    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2750    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5625    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5792   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5792   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2917   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2917   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9958    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9958    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0125   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7083    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7083    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8  5  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12  4  2  0  0  0  0
 13  8  2  0  0  0  0
 14 11  1  0  0  0  0
 15 10  1  0  0  0  0
 16 18  1  0  0  0  0
 17 11  1  0  0  0  0
 18 15  2  0  0  0  0
 19  6  1  0  0  0  0
 20  7  1  0  0  0  0
 21 16  1  0  0  0  0
 22 19  2  0  0  0  0
 23 20  2  0  0  0  0
  6  7  2  0  0  0  0
 22 23  1  0  0  0  0
 16 14  2  0  0  0  0
M  END
>  <Mol_ID> (4,994)
4994

>  <Formula> (4,994)
C17H15N3O3

>  <MolWeight> (4,994)
309.3193

>  <COMPOUND_NAME> (4,994)
WAY-653389

>  <BAR_CODE_NO> (4,994)
90488072

$$$$
WAY-653451
csChFnd80/06171916332D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.8125    2.8208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833   -2.8417    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.3292    3.4958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8125    4.1542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5917    3.9083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5917    3.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708   -2.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542    2.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3333   -2.2292    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.0333   -3.6250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208   -1.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042    1.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500    1.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083   -0.3167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417    0.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0875   -1.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3417   -0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542    0.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083    1.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208   -3.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3875   -3.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6417   -2.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  7 11  2  0  0  0  0
  8  1  1  0  0  0  0
  9  2  1  0  0  0  0
 10  2  2  0  0  0  0
 11 16  1  0  0  0  0
 12  8  1  0  0  0  0
 13  8  2  0  0  0  0
 14 15  1  0  0  0  0
 15 19  2  0  0  0  0
 16 17  1  0  0  0  0
 17 14  1  0  0  0  0
 18 12  2  0  0  0  0
 19 13  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 16  2  0  0  0  0
  4  5  1  0  0  0  0
 18 15  1  0  0  0  0
 20  7  1  0  0  0  0
M  END
>  <Mol_ID> (4,995)
4995

>  <Formula> (4,995)
C14H11N5O3

>  <MolWeight> (4,995)
297.26884

>  <COMPOUND_NAME> (4,995)
WAY-653451

>  <BAR_CODE_NO> (4,995)
90488134

$$$$
WAY-653532
csChFnd80/06171916332D

 22 25  0  0  0  0  0  0  0  0999 V2000
   -0.5000    0.0761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2172   -0.3274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2207   -0.3412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5069    0.9105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2172   -1.1619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0138   -0.0757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2069   -1.1757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0000   -0.0895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2345    1.3209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000    1.3209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4862   -1.5757    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0172   -1.4032    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4793   -0.7274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2655    0.7209    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9862   -1.4274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4828   -0.7584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2379    2.1243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000    2.1450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3172   -0.7101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5345    2.5588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7517   -1.4239    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7172    0.0209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  6 13  2  0  0  0  0
  6 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 17  2  0  0  0  0
 10 18  1  0  0  0  0
 13 19  1  0  0  0  0
 17 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  2  0  0  0  0
  7 11  1  0  0  0  0
 12 13  1  0  0  0  0
 15 16  1  0  0  0  0
 18 20  2  0  0  0  0
M  END
>  <Mol_ID> (4,996)
4996

>  <Formula> (4,996)
C16H14N4OS

>  <MolWeight> (4,996)
310.37356

>  <COMPOUND_NAME> (4,996)
WAY-653532

>  <BAR_CODE_NO> (4,996)
90488215

$$$$
WAY-271759
csChFnd80/06171916332D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -0.1125   -1.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1333   -0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1333   -1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958   -1.6000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7125   -1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2833   -0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7125   -0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2833   -1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2875   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1792    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8625   -0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6167    1.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792   -1.6292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958    0.2458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8500    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9542    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042    1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8625   -1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667    2.4333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4333   -0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4333   -1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9542    1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042    2.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  9  2  0  0  0  0
  9  2  1  0  0  0  0
 10  7  2  0  0  0  0
 11  6  1  0  0  0  0
 12 11  1  0  0  0  0
 13  8  1  0  0  0  0
 14 12  1  0  0  0  0
 15 14  2  0  0  0  0
 16  6  2  0  0  0  0
 17  5  1  0  0  0  0
 18 13  2  0  0  0  0
 19 12  2  0  0  0  0
 20 21  2  0  0  0  0
 21 19  1  0  0  0  0
 22 14  1  0  0  0  0
 23 10  1  0  0  0  0
 24 20  1  0  0  0  0
 25 13  1  0  0  0  0
 26 23  1  0  0  0  0
 27 22  1  0  0  0  0
 28 24  1  0  0  0  0
  3  2  2  0  0  0  0
  8 10  1  0  0  0  0
 20 15  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (4,997)
4997

>  <Formula> (4,997)
C20H19N3O4S

>  <MolWeight> (4,997)
397.44756

>  <COMPOUND_NAME> (4,997)
WAY-271759

>  <BAR_CODE_NO> (4,997)
397645

$$$$
GI-523285
csChFnd80/06171916332D

 18 20  0  0  0  0  0  0  0  0999 V2000
    2.7329    0.3735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2617    0.8244    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.1155   -1.1114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8580    1.4120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0911    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7925    2.2729    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6095   -1.5304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9950   -2.1727    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3474    0.9702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2617    0.8244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7834    2.2729    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7391   -0.4919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7466    0.3735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0836   -1.1114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9081    1.4120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5776   -1.5805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3975    0.9337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7391   -0.5602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  2  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  2  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (4,998)
4998

>  <Formula> (4,998)
C14H12N2OS

>  <MolWeight> (4,998)
256.32288

>  <COMPOUND_NAME> (4,998)
GI-523285

>  <BAR_CODE_NO> (4,998)
3916426

$$$$
WAY-313018
csChFnd80/06171916332D

 25 27  0  0  0  0  0  0  0  0999 V2000
    3.6491    2.1216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4398    2.8005    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6491    0.7072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2233    0.7072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4398    0.0213    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2233    2.1216    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8726    2.8217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4398    4.2080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6491    4.9009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8726    4.2221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6491    6.3012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8513    6.9873    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0678    2.1216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8726    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    6.3012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2233    4.9009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2233    6.3012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4185    6.9873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2771    2.8217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0395    4.9009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2487    6.9873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4652    6.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2560    4.2080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4652    4.9222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  5  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  4  2  0  0  0  0
 10  8  1  0  0  0  0
 11  7  2  0  0  0  0
 12 10  2  0  0  0  0
 13 12  1  0  0  0  0
 14  7  1  0  0  0  0
 15  3  1  0  0  0  0
 16 13  1  0  0  0  0
 17  8  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 14  1  0  0  0  0
 21 16  2  0  0  0  0
 22 16  1  0  0  0  0
 23 22  2  0  0  0  0
 24 21  1  0  0  0  0
 25 23  1  0  0  0  0
  4  6  1  0  0  0  0
 19 12  1  0  0  0  0
 25 24  2  0  0  0  0
M  END
>  <Mol_ID> (4,999)
4999

>  <Formula> (4,999)
C19H18N2O4

>  <MolWeight> (4,999)
338.35722

>  <COMPOUND_NAME> (4,999)
WAY-313018

>  <BAR_CODE_NO> (4,999)
3917788

$$$$
WAY-231547
csChFnd80/06171916332D

 23 25  0  0  0  0  0  0  0  0999 V2000
    6.0495    4.8629    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6471    4.8629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0495    6.2522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8340    6.9468    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8340    4.1681    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6471    6.2522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2944    4.1390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5100    4.8338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4315    4.1681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8340    2.7787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5100    6.2522    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4315    6.9468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6968    4.1390    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2158    4.8629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6968    2.7496    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2944    6.9829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2158    6.2522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1390    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.0495    2.0839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6182    2.0839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0495    0.6946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6182    0.6946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8340    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  1  1  0  0  0  0
  6  2  2  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9  2  1  0  0  0  0
 10  5  1  0  0  0  0
 11  8  2  0  0  0  0
 12  6  1  0  0  0  0
 13  8  1  0  0  0  0
 14  9  2  0  0  0  0
 15 13  1  0  0  0  0
 16  3  1  0  0  0  0
 17 14  1  0  0  0  0
 18 14  1  0  0  0  0
 19 10  1  0  0  0  0
 20 10  2  0  0  0  0
 21 19  2  0  0  0  0
 22 20  1  0  0  0  0
 23 22  2  0  0  0  0
  6  4  1  0  0  0  0
 23 21  1  0  0  0  0
 12 17  2  0  0  0  0
M  END
>  <Mol_ID> (5,000)
5000

>  <Formula> (5,000)
C17H17BrN4O

>  <MolWeight> (5,000)
373.24708

>  <COMPOUND_NAME> (5,000)
WAY-231547

>  <BAR_CODE_NO> (5,000)
3918205

$$$$
WAY-311372
csChFnd80/06171916332D

 29 32  0  0  0  0  0  0  0  0999 V2000
    3.8276    0.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8241   -0.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1241    0.9138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6241    0.7448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1034   -0.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6034   -0.5862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4034    0.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1034    0.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4034   -0.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7000    0.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9862    0.5207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2759    0.9310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9862   -0.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4345    0.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2655   -0.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4379   -0.2966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1517   -0.7103    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8724   -0.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7448   -1.4207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5724   -1.4207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5759   -0.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8621    0.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2897   -0.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5759    0.9448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2897    0.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0000   -0.7103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0000    0.9414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7207   -0.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7138    0.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 17 20  2  0  0  0  0
 18 21  1  0  0  0  0
 18 22  2  0  0  0  0
 21 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
 15 16  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (5,001)
5001

>  <Formula> (5,001)
C20H24N2O6S

>  <MolWeight> (5,001)
420.47936

>  <COMPOUND_NAME> (5,001)
WAY-311372

>  <BAR_CODE_NO> (5,001)
3915751

$$$$
WAY-344755
csChFnd80/06171916332D

 15 16  0  0  0  0  0  0  0  0999 V2000
    1.0754   -0.3778    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4790    1.0669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3775   -0.7506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3247   -1.2080    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9777    1.1295    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4296    2.1388    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4268    0.3212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7810   -2.1953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5004   -0.2765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0233    1.7659    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8798   -0.0516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9451   -0.6800    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6160    1.2553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2459   -0.6711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3817   -1.4665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  7 10  2  0  0  0  0
  9  5  1  0  0  0  0
 15 11  1  0  0  0  0
 14 11  1  0  0  0  0
 13 11  1  0  0  0  0
 12  9  1  0  0  0  0
 11  7  1  0  0  0  0
 10  6  1  0  0  0  0
  9  4  2  0  0  0  0
  8  3  2  0  0  0  0
  7  3  1  0  0  0  0
  6  2  2  0  0  0  0
  5  2  1  0  0  0  0
  4  1  1  0  0  0  0
  3  1  1  0  0  0  0
  2  1  1  0  0  0  0
M  END
>  <Mol_ID> (5,002)
5002

>  <Formula> (5,002)
C8H10N4OS2

>  <MolWeight> (5,002)
242.3212

>  <COMPOUND_NAME> (5,002)
WAY-344755

>  <BAR_CODE_NO> (5,002)
2554993

$$$$
WAY-312031
csChFnd80/06171916332D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -1.0207   -0.0690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7345   -0.4828    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000   -0.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0345    0.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4448   -0.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1448    0.2310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3207   -1.1966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4034   -0.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3138    1.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4448   -1.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1586   -0.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4034    0.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1586   -2.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8690   -0.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1172    1.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8690   -1.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8379    0.7724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1172    2.0034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5517    1.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2621    0.7724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0241    1.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3552   -0.0448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5759    0.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1621   -0.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  8 12  1  0  0  0  0
 10 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
  9 12  1  0  0  0  0
 14 16  2  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (5,003)
5003

>  <Formula> (5,003)
C17H20N2O4S

>  <MolWeight> (5,003)
348.4167

>  <COMPOUND_NAME> (5,003)
WAY-312031

>  <BAR_CODE_NO> (5,003)
3916589

$$$$
WAY-313177
csChFnd80/06171916332D

 17 18  0  0  0  0  0  0  0  0999 V2000
    1.2276   -0.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4759   -0.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7138    0.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6138   -0.8172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0517   -0.7241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1655    0.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4103    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3414   -0.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7241   -0.6552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9103   -1.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8759    0.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5966    0.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3241    0.5828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8241    1.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1966   -0.1310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5724    1.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8034    0.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
  7  8  2  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (5,004)
5004

>  <Formula> (5,004)
C12H12N2O3

>  <MolWeight> (5,004)
232.23528

>  <COMPOUND_NAME> (5,004)
WAY-313177

>  <BAR_CODE_NO> (5,004)
3917989

$$$$
AY-20590
csChFnd80/06171916332D

 20 23  0  0  0  0  0  0  0  0999 V2000
    0.0955    0.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0955   -0.7448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3955    1.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2045    1.4759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3955   -1.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2045   -1.4862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7644    0.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5541    2.9552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5149    0.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5748   -2.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7644   -0.8862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5149   -0.7448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7748    1.9931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0334    3.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8149    1.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0541   -3.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7955   -1.9552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8149   -1.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1149    0.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1149   -0.7448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  2  0  0  0  0
 10 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  2  0  0  0  0
 15 19  1  0  0  0  0
 18 20  1  0  0  0  0
  9 12  1  0  0  0  0
 13 14  2  0  0  0  0
 16 17  2  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (5,005)
5005

>  <Formula> (5,005)
C16H10N2O2

>  <MolWeight> (5,005)
262.2628

>  <COMPOUND_NAME> (5,005)
AY-20590

>  <BAR_CODE_NO> (5,005)
3918137

$$$$
WAY-312988
csChFnd80/06171916332D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -0.1333    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3875    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9500    0.6833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6500    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042    1.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6500   -0.3167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9875    1.6458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042    1.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1500    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1500   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042    1.6458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9042    1.1458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042   -0.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8042    1.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1042    1.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6708    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6708   -0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8042    0.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1042    2.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042    0.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1042    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1958   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1958    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  2  0  0  0  0
  6  4  2  0  0  0  0
  7  3  1  0  0  0  0
  8  9  1  0  0  0  0
  9  2  2  0  0  0  0
 10  5  1  0  0  0  0
 11 10  2  0  0  0  0
 12 13  1  0  0  0  0
 13  6  1  0  0  0  0
 14  3  2  0  0  0  0
 15 12  2  0  0  0  0
 16 15  1  0  0  0  0
 17 10  1  0  0  0  0
 18 11  1  0  0  0  0
 19 16  1  0  0  0  0
 20 15  1  0  0  0  0
 21 19  1  0  0  0  0
 22 19  1  0  0  0  0
 23 24  1  0  0  0  0
 24 17  2  0  0  0  0
 11  7  1  0  0  0  0
  6  8  1  0  0  0  0
 23 18  2  0  0  0  0
M  END
>  <Mol_ID> (5,006)
5006

>  <Formula> (5,006)
C18H19N3O2S

>  <MolWeight> (5,006)
341.42736

>  <COMPOUND_NAME> (5,006)
WAY-312988

>  <BAR_CODE_NO> (5,006)
3917754

$$$$
WAY-312008
csChFnd80/06171916332D

 28 32  0  0  0  0  0  0  0  0999 V2000
   -0.6552    0.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6655   -1.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5517    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9103    0.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5414   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9241   -2.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7655    0.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5483    2.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1517    0.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9103    2.0414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7586   -1.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5310   -3.3966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1448   -1.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9207   -3.2448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9759    0.7931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7655    2.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4000    0.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7379   -4.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3931   -2.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9759    2.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7655    4.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6414    0.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9448   -3.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6448   -1.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1862    2.8966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9724    4.9897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1517   -4.0897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1897    4.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  2  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 17  1  0  0  0  0
 12 18  1  0  0  0  0
 13 19  1  0  0  0  0
 15 20  1  0  0  0  0
 16 21  1  0  0  0  0
 17 22  2  0  0  0  0
 18 23  1  0  0  0  0
 19 24  2  0  0  0  0
 20 25  1  0  0  0  0
 21 26  2  0  0  0  0
 23 27  1  0  0  0  0
 25 28  2  0  0  0  0
  7 11  1  0  0  0  0
  9 13  2  0  0  0  0
 16 20  2  0  0  0  0
 22 24  1  0  0  0  0
 26 28  1  0  0  0  0
M  END
>  <Mol_ID> (5,007)
5007

>  <Formula> (5,007)
C22H16N2O4

>  <MolWeight> (5,007)
372.37344

>  <COMPOUND_NAME> (5,007)
WAY-312008

>  <BAR_CODE_NO> (5,007)
3916561

$$$$
WAY-311811
csChFnd80/06171916332D

 34 38  0  0  0  0  0  0  0  0999 V2000
   -0.6619   -0.1444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2653   -0.4962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6619    0.5556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0377   -0.4962    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2653   -1.2237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8860   -0.1444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0377    0.9245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2653    0.9245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0377   -1.2237    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6619   -1.5617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8860   -1.5617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4998   -0.4962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0377    1.6245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2653    1.6245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6619   -2.2962    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4998   -1.2237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5899    2.0004    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6619    2.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0377   -2.6444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2002    2.3556    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9519    1.3763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2002    2.6038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6619    2.7004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5899   -2.2962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0377   -3.3617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8347    2.0176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2002    3.0659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2002   -2.6444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5899   -3.6996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4243    2.3556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8347    3.4245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2002   -3.3617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4243    3.0659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7899   -3.7444    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 14  2  0  0  0  0
 10 15  1  0  0  0  0
 11 16  2  0  0  0  0
 13 17  1  0  0  0  0
 13 18  2  0  0  0  0
 15 19  1  0  0  0  0
 17 20  1  0  0  0  0
 17 21  2  0  0  0  0
 17 22  2  0  0  0  0
 18 23  1  0  0  0  0
 19 24  1  0  0  0  0
 19 25  2  0  0  0  0
 20 26  1  0  0  0  0
 20 27  1  0  0  0  0
 24 28  2  0  0  0  0
 25 29  1  0  0  0  0
 26 30  1  0  0  0  0
 27 31  1  0  0  0  0
 28 32  1  0  0  0  0
 30 33  1  0  0  0  0
 32 34  1  0  0  0  0
  9 10  1  0  0  0  0
 12 16  1  0  0  0  0
 14 18  1  0  0  0  0
 29 32  2  0  0  0  0
 31 33  1  0  0  0  0
M  END
>  <Mol_ID> (5,008)
5008

>  <Formula> (5,008)
C25H24N4O4S

>  <MolWeight> (5,008)
476.54746

>  <COMPOUND_NAME> (5,008)
WAY-311811

>  <BAR_CODE_NO> (5,008)
3916316

$$$$
WAY-311788
csChFnd80/06171916332D

 28 30  0  0  0  0  0  0  0  0999 V2000
    0.2138    1.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2138    2.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5345    0.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9897    0.7138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9897    2.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5345   -0.1483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2897    1.1517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9897   -0.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7483    2.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1655    3.2931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2897   -0.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7483   -0.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2138   -0.5966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3897    2.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0276    3.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0414   -0.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2897   -1.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7483   -1.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4966   -0.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7897   -0.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0414   -1.8966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4966   -1.8966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2483   -0.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7897   -1.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2483   -1.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5345   -1.9241    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -3.4897   -2.7862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2897   -1.5207    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  2  0  0  0  0
 11 17  1  0  0  0  0
 12 18  2  0  0  0  0
 12 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  2  0  0  0  0
 18 22  1  0  0  0  0
 19 23  2  0  0  0  0
 20 24  2  0  0  0  0
 22 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 14 15  2  0  0  0  0
 21 24  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (5,009)
5009

>  <Formula> (5,009)
C20H15N3O5

>  <MolWeight> (5,009)
377.3502

>  <COMPOUND_NAME> (5,009)
WAY-311788

>  <BAR_CODE_NO> (5,009)
3916286

$$$$
WAY-310624
csChFnd80/06171916332D

 31 34  0  0  0  0  0  0  0  0999 V2000
   -1.4552   -0.8241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5172   -0.8241    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.9966   -0.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9966   -1.5828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0345   -1.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0345    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8966   -0.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6966    0.8759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8966   -1.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6966   -2.4828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9207   -1.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9207    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5172    0.8172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7172    0.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7172   -1.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3828   -2.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3828   -0.8241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3828    0.8172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5345   -0.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5345   -1.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3448   -2.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3448   -0.8241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9207    1.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3448    0.8172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8034   -1.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3828    2.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8034    1.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3448    2.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8207    3.2759    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.3448    4.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7655    3.2759    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  2  0  0  0  0
  7 14  1  0  0  0  0
  9 15  1  0  0  0  0
 11 16  2  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
 14 19  2  0  0  0  0
 15 20  2  0  0  0  0
 16 21  1  0  0  0  0
 17 22  2  0  0  0  0
 18 23  1  0  0  0  0
 18 24  2  0  0  0  0
 21 25  2  0  0  0  0
 23 26  2  0  0  0  0
 24 27  1  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
  7  9  2  0  0  0  0
 19 20  1  0  0  0  0
 22 25  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <Mol_ID> (5,010)
5010

>  <Formula> (5,010)
C23H17N3O5

>  <MolWeight> (5,010)
415.39818

>  <COMPOUND_NAME> (5,010)
WAY-310624

>  <BAR_CODE_NO> (5,010)
3914865

$$$$
CL-412915
csChFnd80/06171916332D

 23 24  0  0  0  0  0  0  0  0999 V2000
    8.4153    7.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7758    8.7445    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7758    7.9915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0684    7.9915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0684    8.7445    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1227    7.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1227    6.8621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4151    6.4539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4153    6.8621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4695    7.9915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4153    6.1138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8300    8.3635    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7076    6.8621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4151    5.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8304    7.4926    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0209    9.0846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7076    7.6786    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.1227    5.2293    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.5177    9.0665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7076    5.2293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.4539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9008    8.6446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  4  1  0  0  0  0
  6  3  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  1  1  0  0  0  0
 10  6  1  0  0  0  0
 11  9  3  0  0  0  0
 12 10  3  0  0  0  0
 13  8  1  0  0  0  0
 14  8  2  0  0  0  0
 15  4  1  0  0  0  0
 16  5  1  0  0  0  0
 17 13  1  0  0  0  0
 18 14  1  0  0  0  0
 19 23  1  0  0  0  0
 20 21  2  0  0  0  0
 21 14  1  0  0  0  0
 22 13  2  0  0  0  0
 23 16  1  0  0  0  0
  5  2  1  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (5,011)
5011

>  <Formula> (5,011)
C15H11Cl2N5O

>  <MolWeight> (5,011)
348.18674

>  <COMPOUND_NAME> (5,011)
CL-412915

>  <BAR_CODE_NO> (5,011)
3917713

$$$$
WAY-350477
csChFnd80/06171916332D

 23 25  0  0  0  0  0  0  0  0999 V2000
    8.8292   -7.3792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4292   -7.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5292   -6.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7042   -6.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8125   -4.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5375   -8.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8625   -8.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4042   -4.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5292   -9.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7500   -5.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5000   -7.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2042  -10.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5125   -3.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6500  -13.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6292  -10.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5250  -12.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3417  -12.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2167  -13.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3375  -14.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6917   -3.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4667  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8042   -2.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3917   -2.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  5  1  0  0  0  0
  9  7  1  0  0  0  0
 10  3  2  0  0  0  0
 11  7  2  0  0  0  0
 12  9  1  0  0  0  0
 13  5  2  0  0  0  0
 14 18  2  0  0  0  0
 15 12  1  0  0  0  0
 16 12  2  0  0  0  0
 17 15  2  0  0  0  0
 18 16  1  0  0  0  0
 19 14  1  0  0  0  0
 20  8  2  0  0  0  0
 21 19  1  0  0  0  0
 22 13  1  0  0  0  0
 23 22  2  0  0  0  0
  4  8  1  0  0  0  0
 23 20  1  0  0  0  0
 17 14  1  0  0  0  0
M  END
>  <Mol_ID> (5,012)
5012

>  <Formula> (5,012)
C16H14N4O3

>  <MolWeight> (5,012)
310.30736

>  <COMPOUND_NAME> (5,012)
WAY-350477

>  <BAR_CODE_NO> (5,012)
2554520

$$$$
WAY-313098
csChFnd80/06171916332D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -1.4414   -0.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4414   -1.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6000   -0.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2000    0.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6000   -1.5621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2000   -1.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1000   -0.8793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3103    0.6966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9483   -0.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3103   -2.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9483   -1.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7724   -0.8793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9241    1.3448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7276   -0.0310    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.5241   -2.5241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6276    2.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8724   -3.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0586   -1.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2207    2.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000    2.8241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7103   -3.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9379   -2.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000    3.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000    1.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2517   -2.7793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3517    3.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6724    1.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9000    2.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7379    2.8069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2759    2.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 16 20  2  0  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
 19 23  1  0  0  0  0
 19 24  2  0  0  0  0
 21 25  1  0  0  0  0
 23 26  2  0  0  0  0
 24 27  1  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
  5  7  1  0  0  0  0
  9 11  1  0  0  0  0
 22 25  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <Mol_ID> (5,013)
5013

>  <Formula> (5,013)
C21H21BrN4O4

>  <MolWeight> (5,013)
473.31984

>  <COMPOUND_NAME> (5,013)
WAY-313098

>  <BAR_CODE_NO> (5,013)
3917893

$$$$
WAY-311015
csChFnd80/06171916332D

 32 34  0  0  0  0  0  0  0  0999 V2000
   -0.0862    0.1931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000    0.6034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0862   -0.6310    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6241    0.6034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5138    0.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000    1.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -1.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7379   -0.6310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000   -1.2172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3379    0.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2379    0.6034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5138    1.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5138   -0.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8138   -1.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0586    0.6034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3379   -0.6310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2379    1.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9552    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2241   -1.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5241   -2.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7724    0.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6759   -0.2069    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6621    0.6172    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9621   -0.6207    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2379   -1.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4862    0.6034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9552   -2.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4966    1.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    0.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2069    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9138    0.6034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9207    1.4310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  3  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  2  0  0  0  0
  7 14  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  2  0  0  0  0
 11 17  1  0  0  0  0
 11 18  1  0  0  0  0
 13 19  1  0  0  0  0
 14 20  2  0  0  0  0
 15 21  1  0  0  0  0
 18 22  1  0  0  0  0
 18 23  1  0  0  0  0
 18 24  1  0  0  0  0
 19 25  2  0  0  0  0
 21 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  2  0  0  0  0
 26 29  1  0  0  0  0
 28 30  1  0  0  0  0
 29 31  2  0  0  0  0
 30 32  2  0  0  0  0
 12 17  2  0  0  0  0
 20 25  1  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <Mol_ID> (5,014)
5014

>  <Formula> (5,014)
C22H20F3N3O3S

>  <MolWeight> (5,014)
463.4727096

>  <COMPOUND_NAME> (5,014)
WAY-311015

>  <BAR_CODE_NO> (5,014)
3915346

$$$$
WAY-311994
csChFnd80/06171916332D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -0.2416   -0.2277    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7933    0.7033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8482   -0.2277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7933   -1.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2657    1.6482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8761    0.7033    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3757    0.6861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3757   -1.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8761   -1.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2243   -2.0898    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5864    2.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8240    1.6482    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4243   -0.2277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4758    0.6861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4585   -1.1967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4243   -2.1139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2860    3.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1757    2.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5002   -0.2277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0136   -0.2277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5002   -2.1139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0519   -1.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0861   -0.2277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6378   -1.1484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  2  0  0  0  0
  9 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
 13 19  1  0  0  0  0
 14 20  2  0  0  0  0
 16 21  2  0  0  0  0
 19 22  2  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
  9 13  2  0  0  0  0
 15 20  1  0  0  0  0
 17 18  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (5,015)
5015

>  <Formula> (5,015)
C19H14N2O3

>  <MolWeight> (5,015)
318.32606

>  <COMPOUND_NAME> (5,015)
WAY-311994

>  <BAR_CODE_NO> (5,015)
3916544

$$$$
WAY-310331
csChFnd80/06171916332D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.1043    0.4041    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6301    1.1628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0492    0.8731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0750   -0.6372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6819    1.0145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1370    2.1007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9009    1.9179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9837    0.3766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7285   -1.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0715   -0.9959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0750    0.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3336    1.8490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8802    0.9386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5526   -2.3545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2508   -2.0372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1198   -0.1165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3784    1.6973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8181    0.4421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4370   -2.7165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7750    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8561   -0.6131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7112    1.0076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6198   -3.7579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  2  0  0  0  0
 10 15  1  0  0  0  0
 11 16  2  0  0  0  0
 12 17  1  0  0  0  0
 13 18  1  0  0  0  0
 14 19  1  0  0  0  0
 16 20  1  0  0  0  0
 18 21  1  0  0  0  0
 18 22  2  0  0  0  0
 19 23  1  0  0  0  0
  6  7  1  0  0  0  0
 15 19  2  0  0  0  0
 17 20  2  0  0  0  0
M  END
>  <Mol_ID> (5,016)
5016

>  <Formula> (5,016)
C19H17NO3

>  <MolWeight> (5,016)
307.34318

>  <COMPOUND_NAME> (5,016)
WAY-310331

>  <BAR_CODE_NO> (5,016)
3914538

$$$$
WAY-311651
csChFnd80/06171916332D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -1.1857   -1.2365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1065   -0.4990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3732   -0.3365    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6607    0.0052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5107   -1.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0065   -0.9948    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4310    0.9635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1815    0.5260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4982    0.7427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7857    0.9760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8357   -1.5990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3690   -0.2198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1935    1.6802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1435    0.7385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4940   -1.9740    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0857   -0.4490    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5565    1.6802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4143    1.0052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7018    1.2385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5685    0.2760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2935    0.0010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3607   -2.2865    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0143   -0.2323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9685    1.5052    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2810    0.0385    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  0  0  0  0
  5  1  2  0  0  0  0
  6  5  1  0  0  0  0
  7  8  1  0  0  0  0
  8 10  1  0  0  0  0
  9  4  2  0  0  0  0
 10  9  1  0  0  0  0
 11  1  1  0  0  0  0
 12  4  1  0  0  0  0
 13 17  1  0  0  0  0
 14  7  1  0  0  0  0
 15 11  3  0  0  0  0
 16 12  3  0  0  0  0
 17 10  2  0  0  0  0
 18 19  1  0  0  0  0
 19 14  2  0  0  0  0
 20 23  1  0  0  0  0
 21 14  1  0  0  0  0
 22  5  1  0  0  0  0
 23 21  2  0  0  0  0
 24 18  1  0  0  0  0
 25 20  1  0  0  0  0
  6  3  1  0  0  0  0
  7 13  2  0  0  0  0
 20 18  2  0  0  0  0
M  END
>  <Mol_ID> (5,017)
5017

>  <Formula> (5,017)
C17H9Cl2N5O

>  <MolWeight> (5,017)
370.19226

>  <COMPOUND_NAME> (5,017)
WAY-311651

>  <BAR_CODE_NO> (5,017)
3916097

$$$$
WAY-300424
csChFnd80/06171916332D

 17 19  0  0  0  0  0  0  0  0999 V2000
    0.1724    0.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6655    0.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1724   -0.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9345    0.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1862   -0.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9172    1.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6655   -1.0621    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9345   -1.2517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7241    0.0966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9345    1.4276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0655   -0.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7276    1.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7241   -0.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6552    0.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5069    1.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5034   -1.2517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2828   -0.8034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  8 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
  5  7  1  0  0  0  0
  9 13  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (5,018)
5018

>  <Formula> (5,018)
C11H14N4OS

>  <MolWeight> (5,018)
250.32006

>  <COMPOUND_NAME> (5,018)
WAY-300424

>  <BAR_CODE_NO> (5,018)
3902481

$$$$
WAY-300434
csChFnd80/06171916332D

 26 28  0  0  0  0  0  0  0  0999 V2000
    0.3691    0.3135    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3482    0.7238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3691   -0.5141    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0829    0.7238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0585    0.2997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3413    1.5549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3482   -0.9210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9518   -1.0969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1967   -0.5141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7967    0.3135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7792    0.7238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0551    1.9652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3551   -1.7382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0551   -0.4865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5070    0.7238    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7967   -0.5141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7792    1.5549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0689   -2.1382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7723   -0.9003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2173    0.3169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4930    1.9652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7792   -1.7244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0311    0.3238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6277   -0.3865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2102    1.5549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5033   -2.1244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  3  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  2  0  0  0  0
 10 15  1  0  0  0  0
 10 16  2  0  0  0  0
 11 17  1  0  0  0  0
 13 18  2  0  0  0  0
 14 19  1  0  0  0  0
 15 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
 20 23  1  0  0  0  0
 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
 22 26  1  0  0  0  0
 12 17  2  0  0  0  0
 19 22  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (5,019)
5019

>  <Formula> (5,019)
C19H22N2O4S

>  <MolWeight> (5,019)
374.45398

>  <COMPOUND_NAME> (5,019)
WAY-300434

>  <BAR_CODE_NO> (5,019)
3902494

$$$$
WAY-300470
csChFnd80/06171916332D

 29 32  0  0  0  0  0  0  0  0999 V2000
    4.8240    8.3757    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6145    7.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0607    7.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6145    6.2818    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0607    6.2818    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8240    5.5672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4134    8.3757    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2646    8.3757    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8240    4.1921    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0607    3.4775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2646    4.1921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4741    3.4775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0607    2.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.7579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6780    9.7579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4741    2.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2646    1.3807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2646    5.5672    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2053    7.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4741    7.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4134    9.7579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2646    9.7579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6780    1.3807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4741   10.4753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6780    8.3757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2053   10.4753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.3757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4741    6.2818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6780    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  2  0  0  0  0
  6  5  1  0  0  0  0
  7  2  1  0  0  0  0
  8  3  1  0  0  0  0
  9  6  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 10  1  0  0  0  0
 14 26  1  0  0  0  0
 15 24  1  0  0  0  0
 16 17  1  0  0  0  0
 17 13  2  0  0  0  0
 18 11  1  0  0  0  0
 19  7  1  0  0  0  0
 20  8  1  0  0  0  0
 21  7  1  0  0  0  0
 22  8  1  0  0  0  0
 23 16  1  0  0  0  0
 24 22  1  0  0  0  0
 25 20  1  0  0  0  0
 26 21  1  0  0  0  0
 27 19  1  0  0  0  0
 28 18  1  0  0  0  0
 29 23  1  0  0  0  0
  6  4  2  0  0  0  0
 25 15  1  0  0  0  0
 14 27  1  0  0  0  0
 12 16  2  0  0  0  0
M  END
>  <Mol_ID> (5,020)
5020

>  <Formula> (5,020)
C19H26N6O4

>  <MolWeight> (5,020)
402.44754

>  <COMPOUND_NAME> (5,020)
WAY-300470

>  <BAR_CODE_NO> (5,020)
3902538

$$$$
WAY-300492
csChFnd80/06171916332D

 31 34  0  0  0  0  0  0  0  0999 V2000
   -1.1138    0.0966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8034    0.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2655    0.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2655   -0.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7724    0.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3552    1.6345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3828    1.4759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6345    0.1172    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1655   -1.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2724    1.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2724   -0.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4448    0.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3241   -2.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9138   -0.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2448    1.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2448   -0.0724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3172    0.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2241   -2.5828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8448   -1.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7448    0.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1276    0.7862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3862   -0.7345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9828   -1.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0069    0.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8069    0.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0759   -0.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6862    0.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7345    1.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9448   -1.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2655   -1.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7552   -0.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  2  0  0  0  0
 10 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 13 18  2  0  0  0  0
 14 19  1  0  0  0  0
 15 20  1  0  0  0  0
 17 21  1  0  0  0  0
 17 22  2  0  0  0  0
 18 23  1  0  0  0  0
 21 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
 26 29  2  0  0  0  0
 26 30  1  0  0  0  0
 27 31  2  0  0  0  0
  6  7  1  0  0  0  0
 16 20  2  0  0  0  0
 19 23  2  0  0  0  0
 29 31  1  0  0  0  0
M  END
>  <Mol_ID> (5,021)
5021

>  <Formula> (5,021)
C24H23N5OS

>  <MolWeight> (5,021)
429.53732

>  <COMPOUND_NAME> (5,021)
WAY-300492

>  <BAR_CODE_NO> (5,021)
3902569

$$$$
WAY-300505-A
csChFnd80/06171916332D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -0.4172   -0.7724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4172    0.0172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0931   -1.1586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2586   -1.1586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0931    0.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7690   -0.7724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2586   -1.9345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7690    0.0069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0931    1.1828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4345   -1.1586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9276   -2.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4207    1.5793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4345   -1.9414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1034   -0.7724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9207   -3.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5966   -1.9414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4310    2.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5966   -3.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690   -2.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2448    2.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690   -3.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9207    2.3586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2310    3.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5897    2.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9069    1.5828    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.9034    3.9172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5828    3.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  2  0  0  0  0
 17 20  1  0  0  0  0
 18 21  2  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 23 26  2  0  0  0  0
 24 27  2  0  0  0  0
  6  8  2  0  0  0  0
 19 21  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (5,022)
5022

>  <Formula> (5,022)
C19H20FN7

>  <MolWeight> (5,022)
365.4074032

>  <COMPOUND_NAME> (5,022)
WAY-300505-A

>  <BAR_CODE_NO> (5,022)
3902590

$$$$
WAY-300568
csChFnd80/06171916332D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.7379   -0.0724    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.0138   -0.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2000    0.5759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1724   -0.6483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3931   -0.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3931    0.5759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7759    0.2655    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.7862   -0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1414   -0.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1414    0.5759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5241   -0.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0759    0.2931    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.2759   -0.0724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6414    0.5759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6483   -0.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
  7  8  1  0  0  0  0
 10 12  2  0  0  0  0
M  END
>  <Mol_ID> (5,023)
5023

>  <Formula> (5,023)
C12H17ClN2O

>  <MolWeight> (5,023)
240.72918

>  <COMPOUND_NAME> (5,023)
WAY-300568

>  <BAR_CODE_NO> (5,023)
3902677

$$$$
WAY-300569
csChFnd80/06171916332D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -0.8625   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833   -1.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9125   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333   -1.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1500   -2.4042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7208   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4708   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000   -1.9875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792   -0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3333   -2.1167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042    0.5833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3625   -0.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8000   -1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500    1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4333   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1375    1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2708   -0.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667    1.3333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5792    2.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4542    2.1333    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500    2.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042    2.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1375    2.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  2  0  0  0  0
  7  1  1  0  0  0  0
  8  6  1  0  0  0  0
  9 11  1  0  0  0  0
 10  2  2  0  0  0  0
 11  7  1  0  0  0  0
 12  8  1  0  0  0  0
 13  9  1  0  0  0  0
 14  4  2  0  0  0  0
 15 12  1  0  0  0  0
 16 13  1  0  0  0  0
 17  8  2  0  0  0  0
 18 16  2  0  0  0  0
 19 17  1  0  0  0  0
 20  9  2  0  0  0  0
 21 18  1  0  0  0  0
 22 21  1  0  0  0  0
 23 24  2  0  0  0  0
 24 16  1  0  0  0  0
 25 23  1  0  0  0  0
  3  5  1  0  0  0  0
 19 15  2  0  0  0  0
 21 25  2  0  0  0  0
M  END
>  <Mol_ID> (5,024)
5024

>  <Formula> (5,024)
C17H13FN2O2S3

>  <MolWeight> (5,024)
392.4907232

>  <COMPOUND_NAME> (5,024)
WAY-300569

>  <BAR_CODE_NO> (5,024)
3902678

$$$$
WAY-300570
csChFnd80/06171916332D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -0.3167   -1.3273    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4792   -2.0440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5250   -1.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9625   -0.9690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2167   -2.1273    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2792   -1.3273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3208   -0.9690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5375   -0.6273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9625    0.1560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.6273    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3208   -0.2065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2167   -0.3440    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0167   -0.2065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9625    0.9102    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1792    0.3935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0625   -0.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4792    0.5560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000   -0.2065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6208    1.3102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9000    2.0560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5375    2.4102    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2625    0.9310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6208    2.0560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9000    1.3102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2625    2.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  2  0  0  0  0
  7  1  1  0  0  0  0
  8  6  1  0  0  0  0
  9 11  1  0  0  0  0
 10  2  2  0  0  0  0
 11  7  1  0  0  0  0
 12  8  1  0  0  0  0
 13  4  2  0  0  0  0
 14  9  1  0  0  0  0
 15 12  1  0  0  0  0
 16  8  2  0  0  0  0
 17 16  1  0  0  0  0
 18  9  2  0  0  0  0
 19 14  1  0  0  0  0
 20 25  1  0  0  0  0
 21 20  1  0  0  0  0
 22 19  2  0  0  0  0
 23 19  1  0  0  0  0
 24 22  1  0  0  0  0
 25 23  2  0  0  0  0
  5  3  1  0  0  0  0
 17 15  2  0  0  0  0
 20 24  2  0  0  0  0
M  END
>  <Mol_ID> (5,025)
5025

>  <Formula> (5,025)
C17H13ClN2O2S3

>  <MolWeight> (5,025)
408.94532

>  <COMPOUND_NAME> (5,025)
WAY-300570

>  <BAR_CODE_NO> (5,025)
3902679

$$$$
WAY-300582
csChFnd80/06171916332D

 33 36  0  0  0  0  0  0  0  0999 V2000
   -0.2875    2.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2875    0.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4958    1.8708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7750    1.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4958    1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0083   -0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5417    0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167   -0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458   -1.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042   -2.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0500   -2.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1625    2.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000    1.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667   -1.0500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1125   -1.8333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0708    0.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7542   -2.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042   -3.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8792    0.5208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3500   -4.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0125   -3.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583   -4.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9167    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792    3.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0125    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0125    2.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7125   -5.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8375    2.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5833    2.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7458    3.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8375    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2500    1.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    3.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  3  1  0  0  0  0
  6  7  2  0  0  0  0
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9  6  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12  3  1  0  0  0  0
 13  4  1  0  0  0  0
 14  8  2  0  0  0  0
 15 10  2  0  0  0  0
 16  8  1  0  0  0  0
 17 11  2  0  0  0  0
 18 11  1  0  0  0  0
 19 16  1  0  0  0  0
 20 18  2  0  0  0  0
 21 17  1  0  0  0  0
 22 21  2  0  0  0  0
 23 12  1  0  0  0  0
 24 12  2  0  0  0  0
 25 13  2  0  0  0  0
 26 13  1  0  0  0  0
 27 22  1  0  0  0  0
 28 26  2  0  0  0  0
 29 23  2  0  0  0  0
 30 24  1  0  0  0  0
 31 25  1  0  0  0  0
 32 31  2  0  0  0  0
 33 30  2  0  0  0  0
  5  2  2  0  0  0  0
 32 28  1  0  0  0  0
 33 29  1  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (5,026)
5026

>  <Formula> (5,026)
C26H23N5O2

>  <MolWeight> (5,026)
437.49312

>  <COMPOUND_NAME> (5,026)
WAY-300582

>  <BAR_CODE_NO> (5,026)
3902697

$$$$
WAY-300606
csChFnd80/06171916332D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -1.6483   -0.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3966    0.6034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4655   -0.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9759   -0.6552    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5552    0.6034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8759    1.2931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7276   -1.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2966   -0.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0483    1.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5172   -1.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2379   -1.8483    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5138   -0.3966    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7828    1.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5379   -2.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7379   -2.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2931    1.8241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1241    1.7138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9724    2.5828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4448    0.9448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9345    0.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2724    0.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2517   -0.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6034    0.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0828   -0.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7448   -1.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
  5  8  1  0  0  0  0
 14 15  2  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (5,027)
5027

>  <Formula> (5,027)
C18H16N2O2S3

>  <MolWeight> (5,027)
388.52684

>  <COMPOUND_NAME> (5,027)
WAY-300606

>  <BAR_CODE_NO> (5,027)
3902726

$$$$
WAY-300613
csChFnd80/06171916332D

 24 26  0  0  0  0  0  0  0  0999 V2000
    3.4241    0.4139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4759    1.0380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3655    0.6139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4241   -0.8068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5414    0.4139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4759    2.2415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3000   -0.6171    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9586    1.7725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4759   -1.4309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5414   -0.8068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5345    2.8553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1310   -0.9896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8621   -0.2654    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2483   -2.1654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8483   -0.9896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4690   -2.1654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0069   -0.6068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9103   -1.4240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2586    0.5863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0793   -1.0413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4172    0.9656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3241    0.1518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4897    0.5311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7345    1.7242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
  9 10  1  0  0  0  0
 15 16  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (5,028)
5028

>  <Formula> (5,028)
C17H15N3O3S

>  <MolWeight> (5,028)
341.3843

>  <COMPOUND_NAME> (5,028)
WAY-300613

>  <BAR_CODE_NO> (5,028)
3902733

$$$$
WAY-300623
csChFnd80/06171916332D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -1.2347    0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0140   -0.4412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5347    1.0243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3347   -0.1757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7864    0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4864    1.0243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1347   -1.1170    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3722    0.4623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6968   -0.1757    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.7722   -1.4170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8968   -1.1170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4105    0.4623    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.4860   -0.7757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4032   -1.0653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2895    0.1761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1136   -0.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0032    0.8105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9136    0.5105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6343    1.1588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5412    0.8588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  7 10  1  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
  5  6  2  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (5,029)
5029

>  <Formula> (5,029)
C13H12N2O5

>  <MolWeight> (5,029)
276.24478

>  <COMPOUND_NAME> (5,029)
WAY-300623

>  <BAR_CODE_NO> (5,029)
3902757

$$$$
WAY-300653
csChFnd80/06171916332D

 17 18  0  0  0  0  0  0  0  0999 V2000
    1.7793   -0.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207   -1.2310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4793   -0.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6414    0.8483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6793   -0.9517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8793   -2.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1586    1.0103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    0.3103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6586   -1.7897    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5793   -2.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4586    1.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1000    2.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1000   -0.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3793    2.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3793   -0.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0207    1.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3207    1.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 16 17  1  0  0  0  0
  5  8  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (5,030)
5030

>  <Formula> (5,030)
C12H15N3OS

>  <MolWeight> (5,030)
249.332

>  <COMPOUND_NAME> (5,030)
WAY-300653

>  <BAR_CODE_NO> (5,030)
3902793

$$$$
WAY-300678
csChFnd80/06171916332D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -1.1038   -1.1651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2341   -1.9444    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1142    0.3763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4349   -1.9341    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5755   -1.1755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4452    1.1349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7659   -1.1651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5858    0.3659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9065   -1.9548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7659    0.3659    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4452    2.6659    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -5.1142   -1.9341    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9065    1.1245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2444   -1.1858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2444    0.3452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9065    2.6556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5858    3.4245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
  7 10  1  0  0  0  0
 14 15  2  0  0  0  0
M  END
>  <Mol_ID> (5,031)
5031

>  <Formula> (5,031)
C11H10ClN3O2

>  <MolWeight> (5,031)
251.669

>  <COMPOUND_NAME> (5,031)
WAY-300678

>  <BAR_CODE_NO> (5,031)
3902826

$$$$
WAY-300715
csChFnd80/06171916332D

 21 22  0  0  0  0  0  0  0  0999 V2000
    1.5793    0.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1379    0.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7310    1.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8690    0.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8517    0.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9793   -0.6897    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.4448    1.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7069   -0.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0069    1.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5379   -1.1931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2690   -0.9207    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.0069   -0.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5621   -0.1517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2724   -0.3828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8310    0.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5448   -0.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6724    0.8552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1552    0.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7828   -0.8276    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7552   -0.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5310   -0.8276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  6 11  1  0  0  0  0
  8 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
  7  9  2  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (5,032)
5032

>  <Formula> (5,032)
C14H11N3O3S

>  <MolWeight> (5,032)
301.32044

>  <COMPOUND_NAME> (5,032)
WAY-300715

>  <BAR_CODE_NO> (5,032)
3902879

$$$$
WAY-300716
csChFnd80/06171916332D

 19 21  0  0  0  0  0  0  0  0999 V2000
    1.4811    0.9220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4811    2.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4880    0.3392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4880    0.3392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4880    2.6599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4880    2.6599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5258    0.9220    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4949    0.9220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5258    2.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4949    2.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5361    0.3323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5361   -0.8298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5430    0.9116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5430   -1.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5396   -1.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5430   -2.5746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5396   -2.5746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5361   -3.1539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5361   -4.3125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 18 19  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (5,033)
5033

>  <Formula> (5,033)
C16H14ClNO

>  <MolWeight> (5,033)
271.74146

>  <COMPOUND_NAME> (5,033)
WAY-300716

>  <BAR_CODE_NO> (5,033)
3902881

$$$$
WAY-300768
csChFnd80/06171916332D

 18 19  0  0  0  0  0  0  0  0999 V2000
    0.1552   -0.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4621    0.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1552   -0.8552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7793    0.2069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4621    0.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0621   -0.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7552   -1.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4448   -1.2034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7793    0.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1552    1.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0621    1.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6828    0.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7655   -1.9207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3552   -0.8345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4448   -1.9034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9552    1.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4552    0.7448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6828    0.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  2  0  0  0  0
  8 15  1  0  0  0  0
  9 16  1  0  0  0  0
  9 17  1  0  0  0  0
 11 18  1  0  0  0  0
  9 10  1  0  0  0  0
 12 18  2  0  0  0  0
M  END
>  <Mol_ID> (5,034)
5034

>  <Formula> (5,034)
C13H15N3O2

>  <MolWeight> (5,034)
245.2771

>  <COMPOUND_NAME> (5,034)
WAY-300768

>  <BAR_CODE_NO> (5,034)
3902951

$$$$
WAY-300781
csChFnd80/06171916332D

 34 37  0  0  0  0  0  0  0  0999 V2000
   -4.4000    0.3542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8750    1.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1333   -0.3708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4125    1.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8667    0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6375    1.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4250    2.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1625    1.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6292    2.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8958    2.5667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6250    0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6833    1.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4250    4.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9500    2.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1208   -1.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1625    0.3667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6792    2.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333   -0.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8792   -0.3375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9500    4.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6833    0.3667    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.6958    4.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8792   -1.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2208    4.7292    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.3833   -2.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8417   -2.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6792    4.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9542    1.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8417   -4.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3667   -4.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9500    4.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2208    2.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1042   -4.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2208    4.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  3  1  0  0  0  0
  6  9  2  0  0  0  0
  7  8  1  0  0  0  0
  8 10  1  0  0  0  0
  9  2  1  0  0  0  0
 10  6  1  0  0  0  0
 11  6  1  0  0  0  0
 12  7  2  0  0  0  0
 13  7  1  0  0  0  0
 14 12  1  0  0  0  0
 15  3  1  0  0  0  0
 16  8  2  0  0  0  0
 17  4  1  0  0  0  0
 18 11  2  0  0  0  0
 19 11  1  0  0  0  0
 20 22  1  0  0  0  0
 21 12  1  0  0  0  0
 22 13  2  0  0  0  0
 23 19  1  0  0  0  0
 24 20  1  0  0  0  0
 25 15  2  0  0  0  0
 26 15  1  0  0  0  0
 27 17  2  0  0  0  0
 28 17  1  0  0  0  0
 29 26  2  0  0  0  0
 30 25  1  0  0  0  0
 31 27  1  0  0  0  0
 32 28  2  0  0  0  0
 33 30  2  0  0  0  0
 34 32  1  0  0  0  0
  5  2  2  0  0  0  0
 33 29  1  0  0  0  0
 34 31  2  0  0  0  0
 20 14  2  0  0  0  0
M  END
>  <Mol_ID> (5,035)
5035

>  <Formula> (5,035)
C25H19Cl2N5O2

>  <MolWeight> (5,035)
492.35666

>  <COMPOUND_NAME> (5,035)
WAY-300781

>  <BAR_CODE_NO> (5,035)
3902967

$$$$
WAY-300916
csChFnd80/06171916332D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -0.0897   -0.2897    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.8103   -0.6828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4897   -0.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0379    0.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8172   -1.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4897   -0.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4897   -1.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1379   -0.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6379    0.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6621    0.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1621   -1.8448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -1.8552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1724   -0.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9724   -1.8379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7897   -0.7138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1379    0.4138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6897    1.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6069    1.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1759   -1.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4379   -0.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0690    1.9552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8310   -1.8276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0862   -0.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1207    2.7000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.5000    3.1207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7931    3.0276    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  2  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  2  0  0  0  0
  9 17  2  0  0  0  0
 10 18  1  0  0  0  0
 12 19  2  0  0  0  0
 15 20  1  0  0  0  0
 17 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
  7 11  1  0  0  0  0
 13 19  1  0  0  0  0
 18 21  2  0  0  0  0
M  END
>  <Mol_ID> (5,036)
5036

>  <Formula> (5,036)
C18H16N2O6

>  <MolWeight> (5,036)
356.32944

>  <COMPOUND_NAME> (5,036)
WAY-300916

>  <BAR_CODE_NO> (5,036)
3903168

$$$$
WAY-301122
csChFnd80/06171916332D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.7287    0.6640    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9867    1.2070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1377    0.7420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5487    1.6210    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0237    1.3330    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0167    0.1420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2763    0.3040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5777    1.3240    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7077   -0.3740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6167    0.1240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8613    0.4420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2723    0.0070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5987   -0.9140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0913   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9077   -0.3950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9987   -0.8960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5023   -1.3040    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.8837   -1.4360    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.8513    0.1420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1013   -0.5660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5123   -1.0070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2653   -0.2930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  2  4  2  0  0  0  0
  5  3  2  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  2  1  0  0  0  0
  9  6  1  0  0  0  0
 10  6  2  0  0  0  0
 11  7  1  0  0  0  0
 12 11  1  0  0  0  0
 13 15  2  0  0  0  0
 14 21  2  0  0  0  0
 15 10  1  0  0  0  0
  9 16  2  0  0  0  0
 17 14  1  0  0  0  0
 18 13  1  0  0  0  0
 19 12  1  0  0  0  0
 20 12  2  0  0  0  0
 21 20  1  0  0  0  0
 19 22  2  0  0  0  0
  5  4  1  0  0  0  0
 13 16  1  0  0  0  0
 14 22  1  0  0  0  0
M  END
>  <Mol_ID> (5,037)
5037

>  <Formula> (5,037)
C15H11Cl2N3OS

>  <MolWeight> (5,037)
352.23834

>  <COMPOUND_NAME> (5,037)
WAY-301122

>  <BAR_CODE_NO> (5,037)
3903457

$$$$
WAY-301139
csChFnd80/06171916332D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -2.2586    0.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9000    0.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6069    0.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2586   -0.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5586    0.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9000    1.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9517    0.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9069   -1.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5586   -0.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2966    0.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3552    0.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0034    0.4690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3483   -0.6552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6552    0.0966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3034    0.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9552    0.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6414    0.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0276   -0.6552    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.1414   -0.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7621   -0.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
  8  9  2  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (5,038)
5038

>  <Formula> (5,038)
C15H16N2OS2

>  <MolWeight> (5,038)
304.43034

>  <COMPOUND_NAME> (5,038)
WAY-301139

>  <BAR_CODE_NO> (5,038)
3903478

$$$$
WAY-301158
csChFnd80/06171916332D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -1.2586    0.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3000    0.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3586    0.2552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9103    1.9345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1586    1.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5000   -0.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5207    0.9138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1690    1.9345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1931    0.8276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5310   -0.9552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5793    0.6138    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3793   -0.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8690   -0.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4310   -0.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9207   -0.7448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7000    0.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000   -1.8241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7586   -0.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2586   -2.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0483   -1.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
  7  8  2  0  0  0  0
 10 12  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (5,039)
5039

>  <Formula> (5,039)
C16H14N2OS

>  <MolWeight> (5,039)
282.36016

>  <COMPOUND_NAME> (5,039)
WAY-301158

>  <BAR_CODE_NO> (5,039)
3903503

$$$$
WAY-301183
csChFnd80/06171916332D

 28 32  0  0  0  0  0  0  0  0999 V2000
   -0.4759    0.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1828   -0.2621    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.4759    0.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1966   -0.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8655    0.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1828   -1.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1966    1.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1828    1.2759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6345    0.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4552   -0.8241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8655    0.8966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5241   -0.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4759   -1.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8448   -1.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5345    1.8172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3966    0.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5241    1.2759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1828    0.1379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5241   -1.0448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4759   -2.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8448   -2.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2966    1.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7345    1.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1828    0.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5241    2.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1828   -2.5828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1345   -2.6034    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.8655    1.2552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  6 13  2  0  0  0  0
  6 14  1  0  0  0  0
  7 15  1  0  0  0  0
  9 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
 12 19  2  0  0  0  0
 13 20  1  0  0  0  0
 14 21  2  0  0  0  0
 15 22  2  0  0  0  0
 16 23  2  0  0  0  0
 17 24  1  0  0  0  0
 17 25  1  0  0  0  0
 20 26  2  0  0  0  0
 20 27  1  0  0  0  0
 24 28  2  0  0  0  0
  7  9  2  0  0  0  0
  8 11  1  0  0  0  0
 18 24  1  0  0  0  0
 21 26  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (5,040)
5040

>  <Formula> (5,040)
C21H14BrN3O3

>  <MolWeight> (5,040)
436.25816

>  <COMPOUND_NAME> (5,040)
WAY-301183

>  <BAR_CODE_NO> (5,040)
3903541

$$$$
WAY-301187
csChFnd80/06171916332D

 16 17  0  0  0  0  0  0  0  0999 V2000
    1.2885   -0.2826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2775   -0.2976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7785   -0.5796    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8465   -0.5256    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3425    0.3234    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2445   -0.5796    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2775    0.3144    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2515   -0.0756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9185    0.4434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7365   -0.2256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7505    0.4074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2515    0.7344    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2885   -0.5106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7365    0.3564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2135    0.6804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7595   -0.1836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  1  4  2  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  2  2  0  0  0  0
  8  4  1  0  0  0  0
  9  5  1  0  0  0  0
 10  6  1  0  0  0  0
 11 15  1  0  0  0  0
 12 11  1  0  0  0  0
 13 10  2  0  0  0  0
 14 10  1  0  0  0  0
 14 15  2  0  0  0  0
 16 13  1  0  0  0  0
  8  9  2  0  0  0  0
 11 16  2  0  0  0  0
M  END
>  <Mol_ID> (5,041)
5041

>  <Formula> (5,041)
C10H8FN3S2

>  <MolWeight> (5,041)
253.3190232

>  <COMPOUND_NAME> (5,041)
WAY-301187

>  <BAR_CODE_NO> (5,041)
3903545

$$$$
WAY-301207
csChFnd80/06171916332D

 16 18  0  0  0  0  0  0  0  0999 V2000
   -0.3310    0.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2828    0.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0414   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3172    0.8172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5690   -0.7966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0690    0.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8310   -1.3483    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8862   -1.0103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2483    0.6034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0345    1.7517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5207   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8310    0.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5310   -0.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8862    1.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4586   -0.5310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1103    0.1552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
  5  7  1  0  0  0  0
  9 13  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (5,042)
5042

>  <Formula> (5,042)
C10H12N4OS

>  <MolWeight> (5,042)
236.29348

>  <COMPOUND_NAME> (5,042)
WAY-301207

>  <BAR_CODE_NO> (5,042)
3903566

$$$$
WAY-301242
csChFnd80/06171916332D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -1.0896    2.6309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2553    2.2068    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0999    4.0447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3137    1.9309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9553    0.9930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0725    3.3447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2346    4.4896    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3137    4.7378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5171    2.6309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2622   -0.2070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5171    4.0309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9622   -1.4105    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1378   -0.2070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6622   -2.6139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3896   -1.7657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0484   -2.6139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9622   -3.8277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7516   -3.1139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7447   -1.4035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7484   -3.8140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6553   -5.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0553   -5.0277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  2  0  0  0  0
 17 21  1  0  0  0  0
 20 22  1  0  0  0  0
  6  7  2  0  0  0  0
  9 11  2  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (5,043)
5043

>  <Formula> (5,043)
C18H19N3O

>  <MolWeight> (5,043)
293.36296

>  <COMPOUND_NAME> (5,043)
WAY-301242

>  <BAR_CODE_NO> (5,043)
3903612

$$$$
WAY-301260-A
csChFnd80/06171916332D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -1.4655    0.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8862    0.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6483    0.8207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8862    1.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7103    0.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4655   -0.6034    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.2345    0.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7103    1.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1138    0.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6345   -0.6034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8655   -1.3241    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.6034    0.1069    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.0138   -0.6034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0138    0.8207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8379   -0.6034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2586   -1.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2483    0.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0759   -1.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0759    0.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4897   -0.6034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  6 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
  8  9  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (5,044)
5044

>  <Formula> (5,044)
C13H18N2O5

>  <MolWeight> (5,044)
282.29242

>  <COMPOUND_NAME> (5,044)
WAY-301260-A

>  <BAR_CODE_NO> (5,044)
3903640

$$$$
WAY-301276
csChFnd80/06171916332D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -2.0241    0.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5621   -0.0862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9448    0.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4034    1.3966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6621    0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9241   -0.9138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4241    1.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5828    1.0138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0379   -0.4862    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9621    2.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3448    1.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9172   -0.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4241    3.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8034    2.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5966   -0.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3448    3.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4552   -0.4862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4172   -1.6655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1379   -1.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9379   -2.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9966   -0.8241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5966   -2.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6759   -1.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4759   -2.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1655   -2.9138    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
 24 25  1  0  0  0  0
  5  8  2  0  0  0  0
 14 16  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (5,045)
5045

>  <Formula> (5,045)
C18H17BrN4OS

>  <MolWeight> (5,045)
417.32278

>  <COMPOUND_NAME> (5,045)
WAY-301276

>  <BAR_CODE_NO> (5,045)
3903664

$$$$
WAY-301292
csChFnd80/06171916332D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -2.0963    0.1140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0963   -0.6722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4480    0.4795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8307    0.3278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4480   -1.0205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8307   -0.8757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7963    0.1140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2480   -0.2722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7963   -0.6722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1480    0.4795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5037    0.1140    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1480    1.2278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1520    0.4795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8037    0.1140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1520    1.2278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4520    0.4795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8037   -0.6377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8037    1.5795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4520    1.2278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1520   -1.0205    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4520   -1.0205    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1589   -1.7722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  2  0  0  0  0
 17 20  1  0  0  0  0
 17 21  2  0  0  0  0
 20 22  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (5,046)
5046

>  <Formula> (5,046)
C16H13NO5

>  <MolWeight> (5,046)
299.27812

>  <COMPOUND_NAME> (5,046)
WAY-301292

>  <BAR_CODE_NO> (5,046)
3903686

$$$$
WAY-301298
csChFnd80/06171916332D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -2.7586    0.6172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8379    1.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9207   -0.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5379    1.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0586    2.1759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9207    0.6172    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1000   -1.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9000   -0.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1207    2.2966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6000    1.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2379   -2.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0793   -1.8828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9414    0.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2379   -2.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8793    1.1552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9207   -0.4828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8207    0.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8207   -0.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7414    1.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7414   -1.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6621    0.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6621   -0.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5724   -1.0345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5517   -2.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  2  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
  5  9  1  0  0  0  0
 13 15  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (5,047)
5047

>  <Formula> (5,047)
C18H18N4O2S

>  <MolWeight> (5,047)
354.42612

>  <COMPOUND_NAME> (5,047)
WAY-301298

>  <BAR_CODE_NO> (5,047)
3903693

$$$$
WAY-301299
csChFnd80/06171916332D

 23 25  0  0  0  0  0  0  0  0999 V2000
    1.9379    0.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1655    0.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5034    0.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1483   -0.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9517    1.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6034    0.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3000    1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2793    0.7172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9172   -0.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5276    1.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1793    1.5379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1517    0.2034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4862   -0.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7138   -0.3621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4828   -0.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0483   -0.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6966    0.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9966   -1.5345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8138   -0.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7517   -1.8276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2483   -1.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1000    0.2379    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9966   -2.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  8 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
  7 10  1  0  0  0  0
  9 13  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (5,048)
5048

>  <Formula> (5,048)
C16H13IN4O2

>  <MolWeight> (5,048)
420.20449

>  <COMPOUND_NAME> (5,048)
WAY-301299

>  <BAR_CODE_NO> (5,048)
3903694

$$$$
WAY-301307
csChFnd80/06171916332D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -2.3138    1.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7379    0.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4931    1.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7379    1.9897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3138   -0.1655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5552    0.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0759    0.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5552    1.9897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4931   -0.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9724    1.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2552    0.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0931   -0.9276    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.1621   -0.1483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9862   -0.1483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4069   -0.8655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2241   -0.8655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9862   -1.5655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6448   -1.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6448   -0.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4621   -1.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4862   -0.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8862   -0.8655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7241   -0.8483    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 22 23  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (5,049)
5049

>  <Formula> (5,049)
C17H11BrClN3O

>  <MolWeight> (5,049)
388.64574

>  <COMPOUND_NAME> (5,049)
WAY-301307

>  <BAR_CODE_NO> (5,049)
3903704

$$$$
WAY-301314
csChFnd80/06171916332D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.1897   -0.2207    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.9000   -0.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5207   -0.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1897    1.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9000   -1.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000   -0.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5207   -1.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2517   -0.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9000    1.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5207    1.7069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1897   -1.8586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000   -1.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3241   -0.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000    0.6207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2517   -1.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9379   -0.6207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2517    0.6207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9000    2.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5207    2.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3241   -1.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6586   -0.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1897    2.9207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3724   -0.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  2  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  2  0  0  0  0
  9 18  1  0  0  0  0
 10 19  2  0  0  0  0
 12 20  1  0  0  0  0
 16 21  1  0  0  0  0
 18 22  2  0  0  0  0
 21 23  1  0  0  0  0
  7 11  1  0  0  0  0
 13 20  1  0  0  0  0
 19 22  1  0  0  0  0
M  END
>  <Mol_ID> (5,050)
5050

>  <Formula> (5,050)
C18H20N2O3

>  <MolWeight> (5,050)
312.363

>  <COMPOUND_NAME> (5,050)
WAY-301314

>  <BAR_CODE_NO> (5,050)
3903711

$$$$
WAY-301336
csChFnd80/06171916332D

 30 32  0  0  0  0  0  0  0  0999 V2000
   -2.4069    1.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2345    1.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9931    1.8966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9931    0.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6517    1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4069    2.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1690    0.4621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4069   -0.2517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2310    2.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4828    1.9069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7552   -0.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6448    3.3345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8931    1.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0690   -0.2517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1690   -0.9655    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2310    4.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8931   -0.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3069   -0.9759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3138    0.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1310   -0.9793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1379    0.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5379   -1.6931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5448   -0.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3655   -1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7690   -2.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7793   -0.9862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4310   -3.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5931   -2.5034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0448   -3.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7655   -3.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12 16  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 20 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  2  0  0  0  0
 25 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
  6  9  2  0  0  0  0
 21 23  1  0  0  0  0
 29 30  2  0  0  0  0
M  END
>  <Mol_ID> (5,051)
5051

>  <Formula> (5,051)
C21H19N3O5S

>  <MolWeight> (5,051)
425.45766

>  <COMPOUND_NAME> (5,051)
WAY-301336

>  <BAR_CODE_NO> (5,051)
3903742

$$$$
WAY-301350
csChFnd80/06171916332D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -0.4658    0.8448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7141    0.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2756   -0.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0451    2.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7141   -0.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8348    1.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4658   -1.2759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5549   -0.1655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2342    2.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8348   -1.5138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9555    0.4172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8348    2.3862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2031   -1.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0445    1.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6549    3.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9555   -0.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8348   -2.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1141    1.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5135   -1.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5549   -2.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3238    1.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9031    3.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1141   -1.4655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1549   -2.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2342   -3.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7445    2.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4859   -3.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  2  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 10 17  1  0  0  0  0
 11 18  1  0  0  0  0
 13 19  1  0  0  0  0
 13 20  1  0  0  0  0
 14 21  1  0  0  0  0
 15 22  2  0  0  0  0
 16 23  2  0  0  0  0
 19 24  1  0  0  0  0
 20 25  1  0  0  0  0
 21 26  2  0  0  0  0
 24 27  1  0  0  0  0
  5  7  1  0  0  0  0
 11 16  1  0  0  0  0
 22 26  1  0  0  0  0
 25 27  1  0  0  0  0
M  END
>  <Mol_ID> (5,052)
5052

>  <Formula> (5,052)
C20H25N5O2

>  <MolWeight> (5,052)
367.4448

>  <COMPOUND_NAME> (5,052)
WAY-301350

>  <BAR_CODE_NO> (5,052)
3903758

$$$$
WAY-301356
csChFnd80/06171916332D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -1.0651   -0.1065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2824    0.1521    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0617   -0.9341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7824    0.3142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1280   -0.5617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0176    0.9176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2824   -1.1858    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7755   -1.3479    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4996   -0.0927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7720    1.1383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9521   -0.5858    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8314    1.0521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4996   -0.9341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7755   -2.1720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2099    0.3107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3797    0.1176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3383   -1.3134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1176    1.8176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3452    0.4073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2134   -1.3444    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2073    0.0901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1590   -1.3410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9314    1.9487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6004    2.4556    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.1590    0.5349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5970   -0.6410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4556    1.3038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
 12 19  2  0  0  0  0
 13 20  2  0  0  0  0
 16 21  1  0  0  0  0
 17 22  1  0  0  0  0
 18 23  2  0  0  0  0
 18 24  1  0  0  0  0
 19 25  1  0  0  0  0
 21 26  1  0  0  0  0
 23 27  1  0  0  0  0
  5  7  2  0  0  0  0
  9 13  1  0  0  0  0
 22 26  1  0  0  0  0
 25 27  2  0  0  0  0
M  END
>  <Mol_ID> (5,053)
5053

>  <Formula> (5,053)
C19H22FN5O2

>  <MolWeight> (5,053)
371.4086832

>  <COMPOUND_NAME> (5,053)
WAY-301356

>  <BAR_CODE_NO> (5,053)
3903767

$$$$
WAY-301368
csChFnd80/06171916332D

 18 19  0  0  0  0  0  0  0  0999 V2000
    2.5008   -0.3095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6456   -0.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3491   -0.7992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042    0.6698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7974   -0.2992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2008   -0.3164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3560    1.1525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0475   -0.7889    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8042    0.6732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2008    0.6629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8958   -0.2923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7475   -0.7820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5958   -0.2889    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5923    0.6905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4475   -0.7716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4406    1.1801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2958   -0.2820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2958    0.6974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
  7 10  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (5,054)
5054

>  <Formula> (5,054)
C14H20N2O2

>  <MolWeight> (5,054)
248.3208

>  <COMPOUND_NAME> (5,054)
WAY-301368

>  <BAR_CODE_NO> (5,054)
3903781

$$$$
WAY-301385
csChFnd80/06171916332D

 19 20  0  0  0  0  0  0  0  0999 V2000
    0.5000   -0.2172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6517    0.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5724   -1.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4448    0.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000   -0.9345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1069    1.2207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5552   -1.8586    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000   -2.0828    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5724    0.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5172   -1.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5241    0.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1897    0.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6448    0.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8552    1.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3759   -0.0586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8310   -0.7966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5621    1.1655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8759    1.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8276    1.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
  5  7  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (5,055)
5055

>  <Formula> (5,055)
C12H11NO4S2

>  <MolWeight> (5,055)
297.35004

>  <COMPOUND_NAME> (5,055)
WAY-301385

>  <BAR_CODE_NO> (5,055)
3903804

$$$$
WAY-301390-A
csChFnd80/06171916332D

 23 26  0  0  0  0  0  0  0  0999 V2000
    1.9500   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7000   -0.0917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -0.7875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042    1.1125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7875    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3667   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7875   -0.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5542    1.1958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1375   -1.1792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875    0.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9375    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1167   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500    0.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7500   -1.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3542   -1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292   -0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2375    0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7500   -2.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5125    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5125   -0.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  2  2  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8 13  1  0  0  0  0
  9  4  1  0  0  0  0
 10  6  2  0  0  0  0
 11  8  1  0  0  0  0
 12 15  1  0  0  0  0
 13 12  2  0  0  0  0
 14  8  2  0  0  0  0
 15  6  1  0  0  0  0
 16 11  1  0  0  0  0
 17 14  1  0  0  0  0
 18  7  1  0  0  0  0
 19  9  1  0  0  0  0
 20 13  1  0  0  0  0
 21 16  1  0  0  0  0
 22 18  2  0  0  0  0
 23 19  2  0  0  0  0
  7  9  2  0  0  0  0
  5 10  1  0  0  0  0
 23 22  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (5,056)
5056

>  <Formula> (5,056)
C16H14N6O

>  <MolWeight> (5,056)
306.32196

>  <COMPOUND_NAME> (5,056)
WAY-301390-A

>  <BAR_CODE_NO> (5,056)
3903812

$$$$
WAY-301417
csChFnd80/06171916332D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -1.7276   -1.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6586   -1.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7276   -2.9966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6931   -1.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0069   -2.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3069   -0.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6586   -3.3379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6931   -3.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6655   -1.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0586    0.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6655   -2.9897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7069    1.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3724    1.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4448    2.2448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7345    2.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1138    0.8103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8345    2.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2069    1.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5621    2.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6552    2.3103    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.0621    3.3448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4724    1.5448    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  6 10  2  0  0  0  0
  8 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
  5  7  1  0  0  0  0
  9 11  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (5,057)
5057

>  <Formula> (5,057)
C17H12N2O3

>  <MolWeight> (5,057)
292.28878

>  <COMPOUND_NAME> (5,057)
WAY-301417

>  <BAR_CODE_NO> (5,057)
3903844

$$$$
WAY-301522
csChFnd80/06171916332D

 22 25  0  0  0  0  0  0  0  0999 V2000
    0.3696    0.3055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3696   -0.6221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4339    0.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2627    0.5952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2627   -0.9117    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4339   -1.0945    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4339    1.7124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2442    0.3055    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8144   -0.1566    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5523   -1.8048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2442   -0.6221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2442    2.1814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4696   -2.0048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9247   -2.5014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0580    1.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2442    3.1193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7592   -2.8911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2144   -3.3945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8684    2.1814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0580    3.5883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1316   -3.5911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8684    3.1193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  2  0  0  0  0
 12 15  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 19 22  1  0  0  0  0
  5  9  1  0  0  0  0
  8 11  1  0  0  0  0
 18 21  2  0  0  0  0
 20 22  2  0  0  0  0
M  END
>  <Mol_ID> (5,058)
5058

>  <Formula> (5,058)
C17H13N5

>  <MolWeight> (5,058)
287.31862

>  <COMPOUND_NAME> (5,058)
WAY-301522

>  <BAR_CODE_NO> (5,058)
3903971

$$$$
WAY-301537
csChFnd80/06171916332D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -1.7276    0.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2621    1.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5172    0.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8379    0.0931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1414    1.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8414    1.0586    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6310   -0.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2897   -0.3552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1897    2.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3069    1.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0862   -0.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9759    1.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5759   -0.3069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2034   -1.2517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4552   -0.4517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1690   -0.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7345   -0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5931   -1.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4483   -0.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1586   -1.9310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0138   -0.9552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8655   -1.6897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
  7  8  1  0  0  0  0
  9 10  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (5,059)
5059

>  <Formula> (5,059)
C15H13N5OS

>  <MolWeight> (5,059)
311.36162

>  <COMPOUND_NAME> (5,059)
WAY-301537

>  <BAR_CODE_NO> (5,059)
3903989

$$$$
WAY-301544
csChFnd80/06171916332D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -1.7658    0.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6865    0.9345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7658   -0.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7451    1.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0348    0.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3279    2.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6865   -0.9034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7451   -1.1241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7451    0.6069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7451    2.3069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1031    0.0172    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7928    2.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7451   -0.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7451   -2.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6825   -0.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1445    3.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7555   -1.1828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8238   -0.9552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3825    0.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3928   -1.9345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5135    0.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5445   -1.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1135   -0.9448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  2  0  0  0  0
 15 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
  5  7  2  0  0  0  0
  9 13  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (5,060)
5060

>  <Formula> (5,060)
C16H18N4O2S

>  <MolWeight> (5,060)
330.40472

>  <COMPOUND_NAME> (5,060)
WAY-301544

>  <BAR_CODE_NO> (5,060)
3903996

$$$$
WAY-301549
csChFnd80/06171916332D

 30 33  0  0  0  0  0  0  0  0999 V2000
    0.6448    0.0517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6448   -0.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0793    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1862    0.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0793   -0.6690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1862   -0.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4862    0.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0793    0.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0931   -0.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4862   -0.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5793    0.7793    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.5448    0.7793    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.0793    1.2793    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5931   -0.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9069   -0.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8207    0.2414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8207   -0.6069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3448   -0.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9793   -1.1483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3138    0.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6793   -0.8069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4448   -1.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5621   -0.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5621    0.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0414   -0.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0414    0.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2828    0.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7828    0.2414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0207    0.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5034    0.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 20 24  2  0  0  0  0
 23 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
 21 22  2  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <Mol_ID> (5,061)
5061

>  <Formula> (5,061)
C20H15F3N4O3

>  <MolWeight> (5,061)
416.3533096

>  <COMPOUND_NAME> (5,061)
WAY-301549

>  <BAR_CODE_NO> (5,061)
3904002

$$$$
WAY-301591
csChFnd80/06171916332D

 20 22  0  0  0  0  0  0  0  0999 V2000
   10.9524    7.1585    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1248    7.1585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7125    6.4475    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3620    6.4475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9410    5.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1334    5.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3936    7.8752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8792    7.8752    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9841    8.5805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7125    7.8752    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8333    7.2524    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1650    8.4013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0911    7.5937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1895    6.4475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2212    7.8752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3794    9.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4526    8.5805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6336    8.5805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2126    9.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7466    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7 15  2  0  0  0  0
  8 10  1  0  0  0  0
  9 16  2  0  0  0  0
 10  2  1  0  0  0  0
 11  7  1  0  0  0  0
 12  9  1  0  0  0  0
 13 11  1  0  0  0  0
 14  4  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17  8  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20  6  1  0  0  0  0
  3  6  1  0  0  0  0
  9  7  1  0  0  0  0
 13 12  1  0  0  0  0
M  END
>  <Mol_ID> (5,062)
5062

>  <Formula> (5,062)
C13H12N4O3

>  <MolWeight> (5,062)
272.25938

>  <COMPOUND_NAME> (5,062)
WAY-301591

>  <BAR_CODE_NO> (5,062)
3904051

$$$$
WAY-301617
csChFnd80/06171916332D

 28 30  0  0  0  0  0  0  0  0999 V2000
   -0.2719    1.4956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7592    1.3005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6407    0.3052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3028    2.8812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3339   -0.0850    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6717    2.4910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1279    0.5002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0660   -1.0804    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6098    4.0716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8211   -0.2801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0971    3.8766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0405   -0.6902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3958   -1.6656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7337    0.9104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5278   -0.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4658   -2.0758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8831   -1.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4832   -2.8561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2210    0.7153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4403   -1.6856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1024    0.8904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3784   -3.2662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7956   -0.6702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5707   -4.0466    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8657   -3.0712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5895    0.6939    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.4278    2.3547    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6721    1.3421    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  2  0  0  0  0
 12 15  2  0  0  0  0
 12 16  1  0  0  0  0
 13 17  2  0  0  0  0
 13 18  1  0  0  0  0
 14 19  1  0  0  0  0
 15 20  1  0  0  0  0
 15 21  1  0  0  0  0
 16 22  2  0  0  0  0
 17 23  1  0  0  0  0
 18 24  3  0  0  0  0
 20 25  2  0  0  0  0
 21 26  1  0  0  0  0
 21 27  1  0  0  0  0
 21 28  1  0  0  0  0
  9 11  1  0  0  0  0
 19 23  2  0  0  0  0
 22 25  1  0  0  0  0
M  END
>  <Mol_ID> (5,063)
5063

>  <Formula> (5,063)
C21H13F3N2OS

>  <MolWeight> (5,063)
398.4009296

>  <COMPOUND_NAME> (5,063)
WAY-301617

>  <BAR_CODE_NO> (5,063)
3904089

$$$$
WAY-321740
csChFnd80/06171916332D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -0.1458    0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8208    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9833    0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458   -0.0667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667    0.0458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    1.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1625    1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5667   -1.3667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4833    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208    1.6458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667   -0.8292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667   -1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5667   -1.7042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292    1.1208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6833    0.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458    0.4833    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.9667   -1.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417   -1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1500   -2.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    0.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3625    0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667    0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9  3  1  0  0  0  0
 10 15  1  0  0  0  0
 11  8  1  0  0  0  0
 12  4  1  0  0  0  0
 13  7  2  0  0  0  0
 14  8  2  0  0  0  0
 15 11  1  0  0  0  0
 16 23  1  0  0  0  0
 17  7  1  0  0  0  0
 18  9  1  0  0  0  0
 19 12  1  0  0  0  0
 20 10  1  0  0  0  0
 21 10  1  0  0  0  0
 22 20  1  0  0  0  0
 23 21  1  0  0  0  0
 24 17  1  0  0  0  0
 25 19  1  0  0  0  0
 26 24  1  0  0  0  0
  4  3  2  0  0  0  0
 19 18  1  0  0  0  0
 22 16  1  0  0  0  0
M  END
>  <Mol_ID> (5,064)
5064

>  <Formula> (5,064)
C19H28N2O4S

>  <MolWeight> (5,064)
380.50162

>  <COMPOUND_NAME> (5,064)
WAY-321740

>  <BAR_CODE_NO> (5,064)
2540575

$$$$
WAY-322368
csChFnd80/06171916332D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -1.8208   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5833   -0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208   -0.8667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000   -0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458   -0.0667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8833   -1.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2625   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2833   -1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042   -0.4667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3000   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208   -0.4667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458    0.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3000   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042    0.3208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208    0.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458    0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208    0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6625   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042   -1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7000   -1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000   -1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2292   -1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0625   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0833   -1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  2  1  0  0  0  0
  8  1  1  0  0  0  0
  9  8  2  0  0  0  0
 10 11  1  0  0  0  0
 11 14  1  0  0  0  0
 12  6  1  0  0  0  0
 13  4  2  0  0  0  0
 14 12  1  0  0  0  0
 15 10  1  0  0  0  0
 16 10  1  0  0  0  0
 17 11  2  0  0  0  0
 18  5  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21  8  1  0  0  0  0
 22 15  1  0  0  0  0
 23 16  1  0  0  0  0
 24  9  1  0  0  0  0
 25 23  1  0  0  0  0
 26 25  1  0  0  0  0
 27 21  1  0  0  0  0
 28 27  1  0  0  0  0
  9  7  1  0  0  0  0
  3  6  2  0  0  0  0
 24 28  1  0  0  0  0
 25 22  1  0  0  0  0
M  END
>  <Mol_ID> (5,065)
5065

>  <Formula> (5,065)
C21H27N3O2S2

>  <MolWeight> (5,065)
417.58798

>  <COMPOUND_NAME> (5,065)
WAY-322368

>  <BAR_CODE_NO> (5,065)
2540583

$$$$
WAY-385470
csChFnd80/06171916332D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -2.5458   -1.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2875   -1.0875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0500   -2.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5333   -3.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3333   -2.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5750   -0.6667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3250   -2.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208   -2.5417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3625    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8625   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0458   -1.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0458   -3.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5625    0.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9500    0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1583   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7583   -2.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7583   -2.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458    1.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1583   -2.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3500    1.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9375    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  5  1  0  0  0  0
  8  3  2  0  0  0  0
  9  6  1  0  0  0  0
 10  6  1  0  0  0  0
 11  5  2  0  0  0  0
 12  7  2  0  0  0  0
 13  9  2  0  0  0  0
 14  9  1  0  0  0  0
 15 10  2  0  0  0  0
 16 10  1  0  0  0  0
 17 11  1  0  0  0  0
 18 17  2  0  0  0  0
 19 14  2  0  0  0  0
 20 15  1  0  0  0  0
 21 16  2  0  0  0  0
 22 13  1  0  0  0  0
 23 19  1  0  0  0  0
 24 21  1  0  0  0  0
  4  7  1  0  0  0  0
 12 18  1  0  0  0  0
 24 20  2  0  0  0  0
 23 22  2  0  0  0  0
M  END
>  <Mol_ID> (5,066)
5066

>  <Formula> (5,066)
C20H15N3O

>  <MolWeight> (5,066)
313.3526

>  <COMPOUND_NAME> (5,066)
WAY-385470

>  <BAR_CODE_NO> (5,066)
2540556

$$$$
WAY-385540
csChFnd80/06171916332D

 33 37  0  0  0  0  0  0  0  0999 V2000
    6.2167   -8.1792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7042   -7.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2167   -6.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4292   -7.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4292   -7.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4667   -8.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7042   -8.3417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7042   -6.6792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4667   -6.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2875   -9.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9917   -7.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9917   -7.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2792   -5.8750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9125   -9.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5292   -7.5167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9167   -5.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6000   -4.1167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1667  -10.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5417   -9.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5375   -5.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9875  -10.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3417   -4.9042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1125   -9.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3500  -10.1042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2792   -8.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2792   -6.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4250   -4.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5542  -10.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9000   -9.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0167   -5.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6917   -4.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5542   -7.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5542   -7.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  4  2  0  0  0  0
  8  5  2  0  0  0  0
  9  3  1  0  0  0  0
 10  6  1  0  0  0  0
 11  7  1  0  0  0  0
 12 11  1  0  0  0  0
 13  9  1  0  0  0  0
 14  6  2  0  0  0  0
 15  2  1  0  0  0  0
 16  9  2  0  0  0  0
 17 22  1  0  0  0  0
 18 14  1  0  0  0  0
 19 10  2  0  0  0  0
 20 13  1  0  0  0  0
 21 18  2  0  0  0  0
 22 20  1  0  0  0  0
 23 14  1  0  0  0  0
 24 19  1  0  0  0  0
 25 11  2  0  0  0  0
 26 12  2  0  0  0  0
 27 17  1  0  0  0  0
 28 23  1  0  0  0  0
 29 24  1  0  0  0  0
 30 22  1  0  0  0  0
 31 30  1  0  0  0  0
 32 25  1  0  0  0  0
 33 32  2  0  0  0  0
  3  5  1  0  0  0  0
 19 21  1  0  0  0  0
  8 12  1  0  0  0  0
 33 26  1  0  0  0  0
 31 27  1  0  0  0  0
M  END
>  <Mol_ID> (5,067)
5067

>  <Formula> (5,067)
C24H25N5O4

>  <MolWeight> (5,067)
447.4864

>  <COMPOUND_NAME> (5,067)
WAY-385540

>  <BAR_CODE_NO> (5,067)
2540515

$$$$
WAY-385995
csChFnd80/06171916332D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -3.3493   -2.1868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3493   -3.2452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4328   -3.7743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5162   -3.2452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5162   -2.1868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4328   -1.6577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5997   -3.7743    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3168   -3.2452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3168   -2.1868    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5997   -1.6577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2333   -3.7743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5997   -0.5993    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3168   -0.0702    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2333   -4.8327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1499   -5.3618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0664   -4.8327    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0664   -3.7743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1499   -3.2452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  5 10  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
 10 12  1  0  0  0  0
 11 14  2  0  0  0  0
 11 18  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (5,068)
5068

>  <Formula> (5,068)
C13H11N5

>  <MolWeight> (5,068)
237.25994

>  <COMPOUND_NAME> (5,068)
WAY-385995

>  <BAR_CODE_NO> (5,068)
2540536

$$$$
WAY-386450
csChFnd80/06171916332D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -1.1500    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0125    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.8958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958    0.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5958    0.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8333    0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708   -0.0042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7125    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667    0.3708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1125    1.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9333    1.4333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8875    0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1875    0.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0500    0.1958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667    0.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8500    1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1500    0.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8875    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2125    1.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292    1.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292    1.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3292    1.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042    1.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292    1.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042    1.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6042    1.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292    1.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  6  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  1  1  0  0  0  0
  9  8  2  0  0  0  0
 10  4  1  0  0  0  0
 11  3  1  0  0  0  0
 12  6  2  0  0  0  0
 13 16  1  0  0  0  0
 14 13  1  0  0  0  0
 15 13  2  0  0  0  0
 16 10  1  0  0  0  0
 17 14  1  0  0  0  0
 18  8  1  0  0  0  0
 19  9  1  0  0  0  0
 20 17  1  0  0  0  0
 21 11  1  0  0  0  0
 22 11  2  0  0  0  0
 23 20  1  0  0  0  0
 24 20  2  0  0  0  0
 25 21  2  0  0  0  0
 26 22  1  0  0  0  0
 27 23  2  0  0  0  0
 28 24  1  0  0  0  0
 29 26  2  0  0  0  0
 30 28  2  0  0  0  0
  7  9  1  0  0  0  0
  4  5  2  0  0  0  0
 29 25  1  0  0  0  0
 27 30  1  0  0  0  0
M  END
>  <Mol_ID> (5,069)
5069

>  <Formula> (5,069)
C23H21N3O2S2

>  <MolWeight> (5,069)
435.56174

>  <COMPOUND_NAME> (5,069)
WAY-386450

>  <BAR_CODE_NO> (5,069)
2540695

$$$$
WAY-386457
csChFnd80/06171916332D

 33 37  0  0  0  0  0  0  0  0999 V2000
   -0.9958    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500    0.8708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500    0.0333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0708   -0.3667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4708    0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5125   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9875    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042    0.4708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5042    1.3333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2500    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    1.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333    1.2958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5042    0.4708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8958    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9500   -0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9875    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7292    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7500    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042    1.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9875    2.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9875    0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3333    0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3500   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0125    2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4875    2.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  6  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  1  1  0  0  0  0
  9  8  2  0  0  0  0
 10 12  1  0  0  0  0
 11  4  1  0  0  0  0
 12 13  1  0  0  0  0
 13 19  1  0  0  0  0
 14  3  1  0  0  0  0
 15  6  2  0  0  0  0
 16 10  2  0  0  0  0
 17 10  1  0  0  0  0
 18 13  2  0  0  0  0
 19 11  1  0  0  0  0
 20  8  1  0  0  0  0
 21  9  1  0  0  0  0
 22 23  1  0  0  0  0
 23 17  2  0  0  0  0
 24 16  1  0  0  0  0
 25 14  2  0  0  0  0
 26 14  1  0  0  0  0
 27 16  1  0  0  0  0
 28 17  1  0  0  0  0
 29 20  1  0  0  0  0
 30 29  1  0  0  0  0
 31 25  1  0  0  0  0
 32 26  2  0  0  0  0
 33 32  1  0  0  0  0
  7  9  1  0  0  0  0
  4  5  2  0  0  0  0
 30 21  1  0  0  0  0
 33 31  2  0  0  0  0
 24 22  2  0  0  0  0
M  END
>  <Mol_ID> (5,070)
5070

>  <Formula> (5,070)
C26H25N3O2S2

>  <MolWeight> (5,070)
475.6256

>  <COMPOUND_NAME> (5,070)
WAY-386457

>  <BAR_CODE_NO> (5,070)
2540684

$$$$
WAY-386508
csChFnd80/06171916332D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -1.6689   -0.7654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1413   -0.4206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6206   -1.3827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2861   -0.6033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7068    0.0587    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5689   -0.7033    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2206   -1.6206    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0689   -1.6827    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6206   -1.1413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5689   -0.0344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9068    0.6587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1068   -0.0827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5206   -1.3206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2413   -1.1206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4689    1.1173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3311    0.3794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1311    0.9794    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5587    1.4587    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0311    1.0346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0587    1.8794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9794    1.9587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9139    0.4173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6587    1.2587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4139   -0.0033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1587    0.8587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0070    0.1967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4932   -0.2413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0691   -0.7033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9311    0.2346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9794   -0.6654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 18 21  2  0  0  0  0
 19 22  2  0  0  0  0
 19 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
  7  9  1  0  0  0  0
  8 13  2  0  0  0  0
 16 17  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (5,071)
5071

>  <Formula> (5,071)
C22H28N4O2S2

>  <MolWeight> (5,071)
444.61332

>  <COMPOUND_NAME> (5,071)
WAY-386508

>  <BAR_CODE_NO> (5,071)
2540773

$$$$
WAY-386517
csChFnd80/06171916332D

 17 18  0  0  0  0  0  0  0  0999 V2000
    1.1667   -0.4167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667   -1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833   -0.4167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4042   -1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0625   -1.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000    0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000   -0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667   -1.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2500   -1.1500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0042   -1.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833    1.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5458    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208    1.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9458    0.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5625    1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  7  1  0  0  0  0
  5  2  2  0  0  0  0
  6  9  1  0  0  0  0
  7  3  1  0  0  0  0
  8  6  1  0  0  0  0
  9  4  2  0  0  0  0
 10  3  1  0  0  0  0
 11  5  1  0  0  0  0
 12 10  2  0  0  0  0
 13  8  1  0  0  0  0
 14  6  2  0  0  0  0
 15  8  2  0  0  0  0
 16 14  1  0  0  0  0
 17 16  2  0  0  0  0
  5 12  1  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <Mol_ID> (5,072)
5072

>  <Formula> (5,072)
C11H9ClN4O

>  <MolWeight> (5,072)
248.66836

>  <COMPOUND_NAME> (5,072)
WAY-386517

>  <BAR_CODE_NO> (5,072)
2540784

$$$$
WAY-386789
csChFnd80/06171916332D

 16 18  0  0  0  0  0  0  0  0999 V2000
    0.1136    0.0018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6886   -0.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2114   -0.4607    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2114    0.4643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0136   -0.5357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0344    0.4018    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5719   -0.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7656    0.3018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7656   -0.2815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5719    0.2018    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0344   -0.7107    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0114    1.0185    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.2656    0.5810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2656   -0.5815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7656    0.3018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7656   -0.2815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  2  1  0  0  0  0
  6  2  2  0  0  0  0
  7  5  1  0  0  0  0
  8  4  1  0  0  0  0
  9  3  1  0  0  0  0
 10  6  1  0  0  0  0
 11  7  2  0  0  0  0
 12  4  1  0  0  0  0
 13  8  1  0  0  0  0
 14  9  1  0  0  0  0
 15 13  2  0  0  0  0
 16 14  2  0  0  0  0
  9  8  2  0  0  0  0
  7 10  1  0  0  0  0
 16 15  1  0  0  0  0
M  END
>  <Mol_ID> (5,073)
5073

>  <Formula> (5,073)
C10H5ClN2OS2

>  <MolWeight> (5,073)
268.7425

>  <COMPOUND_NAME> (5,073)
WAY-386789

>  <BAR_CODE_NO> (5,073)
2540540

$$$$
WAY-388264-A
csChFnd80/06171916332D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -0.3454    0.2592    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3664   -0.3288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3864    0.2592    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8674    0.5442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8434   -0.6348    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3864   -0.3408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1826   -0.6108    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9094    1.1472    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6866   -0.3078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6946    0.2952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2226    0.5682    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.6506    0.2832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2056   -0.5928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8094    0.0912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5904   -0.9198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6946   -0.3078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1666    0.5952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  4  3  2  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8  4  1  0  0  0  0
  9  7  1  0  0  0  0
 10 16  1  0  0  0  0
 11 10  1  0  0  0  0
 12  9  2  0  0  0  0
 13  9  1  0  0  0  0
 14  6  1  0  0  0  0
 15  6  1  0  0  0  0
 13 16  2  0  0  0  0
 17 12  1  0  0  0  0
  6  5  1  0  0  0  0
 10 17  2  0  0  0  0
M  END
>  <Mol_ID> (5,074)
5074

>  <Formula> (5,074)
C11H14BrN5

>  <MolWeight> (5,074)
296.16636

>  <COMPOUND_NAME> (5,074)
WAY-388264-A

>  <BAR_CODE_NO> (5,074)
2540704

$$$$
WAY-388279
csChFnd80/06171916332D

 22 23  0  0  0  0  0  0  0  0999 V2000
    6.6667    0.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1292   -0.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2292   -0.5375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.2417   -2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1417   -2.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6917   -3.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5792    0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8000   -3.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3417   -2.3125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6542    2.1458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4417   -2.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0375   -0.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5875   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8042   -5.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4292   -0.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0375   -2.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9000   -3.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5750    2.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -3.1792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4875    0.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0250    3.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4875    2.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  2  0  0  0  0
  7  2  2  0  0  0  0
  8  4  1  0  0  0  0
  9  8  1  0  0  0  0
 10  1  2  0  0  0  0
 11 17  1  0  0  0  0
 12  7  1  0  0  0  0
 13  5  2  0  0  0  0
 14  8  2  0  0  0  0
 15 11  2  0  0  0  0
 16 12  2  0  0  0  0
 17  9  1  0  0  0  0
 18  7  1  0  0  0  0
 19 11  1  0  0  0  0
 20 12  1  0  0  0  0
 21 18  1  0  0  0  0
 22 20  1  0  0  0  0
  6  5  1  0  0  0  0
 13 16  1  0  0  0  0
M  END
>  <Mol_ID> (5,075)
5075

>  <Formula> (5,075)
C14H13NO6S

>  <MolWeight> (5,075)
323.32112

>  <COMPOUND_NAME> (5,075)
WAY-388279

>  <BAR_CODE_NO> (5,075)
2540832

$$$$
WAY-388604
csChFnd80/06171916332D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -0.3566   -0.0314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8851   -0.0470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5448    1.1836    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5252   -1.2737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6767   -1.3090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7904    1.1836    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0183    0.6780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0105   -0.8152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1895   -0.9053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2562    0.6623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2607    1.5637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5109    0.6858    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  2  0  0  0  0
M  END
>  <Mol_ID> (5,076)
5076

>  <Formula> (5,076)
C8H6ClNOS

>  <MolWeight> (5,076)
199.65734

>  <COMPOUND_NAME> (5,076)
WAY-388604

>  <BAR_CODE_NO> (5,076)
2541167

$$$$
WAY-388657
csChFnd80/06171916332D

 22 24  0  0  0  0  0  0  0  0999 V2000
    6.7875   -5.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9625   -5.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4167   -3.9792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.3167   -3.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3750   -3.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2667   -8.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9750   -9.0792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.9292   -7.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5542   -6.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2042   -6.1125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0792   -8.1292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.0875   -8.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9750   -7.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.0542   -7.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4917   -7.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7292   -6.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.7917   -7.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0875   -6.0917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3167   -7.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4417   -3.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3750   -2.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6 11  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
  9  2  1  0  0  0  0
 10  1  1  0  0  0  0
 11 15  1  0  0  0  0
 12  7  1  0  0  0  0
 13 17  1  0  0  0  0
 14  8  2  0  0  0  0
 15 19  1  0  0  0  0
 16  9  1  0  0  0  0
 17 10  2  0  0  0  0
 18 15  2  0  0  0  0
 19 16  1  0  0  0  0
 20  4  1  0  0  0  0
 21  5  1  0  0  0  0
 22 14  1  0  0  0  0
  4  5  2  0  0  0  0
  9 13  2  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <Mol_ID> (5,077)
5077

>  <Formula> (5,077)
C14H14N4O2S2

>  <MolWeight> (5,077)
334.41656

>  <COMPOUND_NAME> (5,077)
WAY-388657

>  <BAR_CODE_NO> (5,077)
2541206

$$$$
WAY-388788
csChFnd80/06171916332D

 27 30  0  0  0  0  0  0  0  0999 V2000
    4.1417   -1.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500   -1.9292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2167   -1.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8250   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3292   -1.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4917   -0.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917   -0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8417   -1.0250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5417   -1.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2542   -2.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6625   -2.2667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917    0.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8875   -2.1542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5417   -1.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8167   -3.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0542   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0625   -1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8875   -0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417   -1.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0667   -3.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1167   -3.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417   -1.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2917   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6792   -4.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6292   -3.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9292   -4.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  1  2  0  0  0  0
  7  8  1  0  0  0  0
  8  6  1  0  0  0  0
  9  7  1  0  0  0  0
 10  2  1  0  0  0  0
 11  3  2  0  0  0  0
 12  7  2  0  0  0  0
 13 14  1  0  0  0  0
 14  9  2  0  0  0  0
 15 10  1  0  0  0  0
 16  4  1  0  0  0  0
 17  5  1  0  0  0  0
 18  9  1  0  0  0  0
 19 22  1  0  0  0  0
 20 15  1  0  0  0  0
 21 15  2  0  0  0  0
 22 18  2  0  0  0  0
 23 16  2  0  0  0  0
 24 23  1  0  0  0  0
 25 21  1  0  0  0  0
 26 20  2  0  0  0  0
 27 25  2  0  0  0  0
  5  2  1  0  0  0  0
 24 17  2  0  0  0  0
 13 19  2  0  0  0  0
 27 26  1  0  0  0  0
M  END
>  <Mol_ID> (5,078)
5078

>  <Formula> (5,078)
C21H16N4O2

>  <MolWeight> (5,078)
356.37734

>  <COMPOUND_NAME> (5,078)
WAY-388788

>  <BAR_CODE_NO> (5,078)
2541335

$$$$
WAY-388798
csChFnd80/06171916332D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -0.1793    0.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2517    0.8276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9655    0.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1793   -1.0310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2448    2.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3207    0.2069    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9586   -1.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8931   -1.6586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3862    2.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3862    0.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0310   -1.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1000   -1.0379    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  2  0  0  0  0
M  END
>  <Mol_ID> (5,079)
5079

>  <Formula> (5,079)
C7H5ClN2OS

>  <MolWeight> (5,079)
200.6454

>  <COMPOUND_NAME> (5,079)
WAY-388798

>  <BAR_CODE_NO> (5,079)
2541387

$$$$
WAY-389019
csChFnd80/06171916332D

 23 25  0  0  0  0  0  0  0  0999 V2000
    9.4042   -9.3167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.0667  -12.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0542  -10.4292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0542  -13.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3292  -10.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2917   -9.9667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5125   -8.6667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7417   -8.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1667  -11.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9792  -11.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1500  -14.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2750  -12.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2667  -13.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8000  -10.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9417  -14.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3792   -7.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4750   -8.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1417  -15.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9292  -15.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7500   -6.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8375   -7.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0375  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4750   -6.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 10  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  2  0  0  0  0
  7  1  2  0  0  0  0
  8  1  1  0  0  0  0
  9  2  2  0  0  0  0
 10  5  2  0  0  0  0
 11  4  1  0  0  0  0
 12  9  1  0  0  0  0
 13 12  2  0  0  0  0
 14  9  1  0  0  0  0
 15  4  2  0  0  0  0
 16  8  1  0  0  0  0
 17  8  2  0  0  0  0
 18 11  2  0  0  0  0
 19 15  1  0  0  0  0
 20 16  2  0  0  0  0
 21 17  1  0  0  0  0
 22 19  2  0  0  0  0
 23 21  2  0  0  0  0
 23 20  1  0  0  0  0
 11 13  1  0  0  0  0
 22 18  1  0  0  0  0
M  END
>  <Mol_ID> (5,080)
5080

>  <Formula> (5,080)
C17H14N2O3S

>  <MolWeight> (5,080)
326.36966

>  <COMPOUND_NAME> (5,080)
WAY-389019

>  <BAR_CODE_NO> (5,080)
2541582

$$$$
WAY-345989
csChFnd80/06171916332D

 19 21  0  0  0  0  0  0  0  0999 V2000
   10.4917   -6.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6542   -5.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6917   -7.5417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.3375   -5.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8917   -6.3667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3667   -7.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6125   -7.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0500   -3.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9292   -8.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0792   -2.9167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0125   -7.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4000   -3.6125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1042   -5.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1667   -7.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0167   -8.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9917   -6.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8917   -5.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9292   -7.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  5  1  0  0  0  0
  8  2  1  0  0  0  0
  9  7  2  0  0  0  0
 10  8  2  0  0  0  0
 11  7  1  0  0  0  0
 12  8  1  0  0  0  0
 13  4  1  0  0  0  0
 14  6  1  0  0  0  0
 15 17  1  0  0  0  0
 16 11  1  0  0  0  0
 17 11  1  0  0  0  0
 18 13  1  0  0  0  0
 19 14  1  0  0  0  0
  6  4  2  0  0  0  0
 16 15  1  0  0  0  0
 19 18  1  0  0  0  0
M  END
>  <Mol_ID> (5,081)
5081

>  <Formula> (5,081)
C14H18N2O2S

>  <MolWeight> (5,081)
278.36992

>  <COMPOUND_NAME> (5,081)
WAY-345989

>  <BAR_CODE_NO> (5,081)
2556172

$$$$
WAY-346138
csChFnd80/06171916332D

 19 20  0  0  0  0  0  0  0  0999 V2000
    7.7875   -9.1792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5292   -9.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1917  -12.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4500  -12.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6792   -9.9917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1042  -11.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5667  -13.5542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5667  -11.3792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.3542  -11.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4167  -10.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3000   -8.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2750   -7.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6792  -10.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0625  -13.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3500   -7.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3167  -13.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3167  -11.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9625  -12.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -10.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  8  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  2  0  0  0  0
  6  4  2  0  0  0  0
  7  3  2  0  0  0  0
  8 17  1  0  0  0  0
  9  6  1  0  0  0  0
 10  1  1  0  0  0  0
 11  1  1  0  0  0  0
 12  2  1  0  0  0  0
 13 10  1  0  0  0  0
 14  4  1  0  0  0  0
 15 11  1  0  0  0  0
 16 14  2  0  0  0  0
 17 13  1  0  0  0  0
 18 16  1  0  0  0  0
 19  9  1  0  0  0  0
 12 15  1  0  0  0  0
 18  9  2  0  0  0  0
M  END
>  <Mol_ID> (5,082)
5082

>  <Formula> (5,082)
C15H20N2O2

>  <MolWeight> (5,082)
260.3315

>  <COMPOUND_NAME> (5,082)
WAY-346138

>  <BAR_CODE_NO> (5,082)
2556470

$$$$
WAY-346304
csChFnd80/06171916332D

 17 18  0  0  0  0  0  0  0  0999 V2000
    1.1667   -3.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6792   -5.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9000   -5.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.0417   -7.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5875   -3.8792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2917   -3.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4542   -7.7042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1292   -9.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1792   -1.6292    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417   -5.8875    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9583   -3.7292    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.2917   -5.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3667   -1.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4625   -3.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4542   -2.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3875   -5.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5 15  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  2  0  0  0  0
  8  4  1  0  0  0  0
  9  4  1  0  0  0  0
 10  1  1  0  0  0  0
 11  1  1  0  0  0  0
 12  1  1  0  0  0  0
 13  6  2  0  0  0  0
 14  6  1  0  0  0  0
 15 16  1  0  0  0  0
 16 14  2  0  0  0  0
 17 13  1  0  0  0  0
 15 17  2  0  0  0  0
  9  8  1  0  0  0  0
M  END
>  <Mol_ID> (5,083)
5083

>  <Formula> (5,083)
C11H11F3N2S

>  <MolWeight> (5,083)
260.2786496

>  <COMPOUND_NAME> (5,083)
WAY-346304

>  <BAR_CODE_NO> (5,083)
2556515

$$$$
WAY-347350
csChFnd80/06171916332D

 24 26  0  0  0  0  0  0  0  0999 V2000
    3.2917    0.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3042    2.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2917   -0.6875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    1.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9792    0.6458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8542    3.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4000    5.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8167   -0.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9667   -2.2875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4917   -0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0625   -2.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4417   -2.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583    2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7875   -0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3542   -2.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8917   -0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9042   -3.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5792   -0.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5875   -3.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1500   -2.2667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2208    1.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2458   -0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  7  3  0  0  0  0
  9  6  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
 12 16  1  0  0  0  0
 13 20  2  0  0  0  0
 14  4  1  0  0  0  0
 15  5  1  0  0  0  0
 16 11  1  0  0  0  0
 17 12  1  0  0  0  0
 18 12  2  0  0  0  0
 19 17  2  0  0  0  0
 20 18  1  0  0  0  0
 21 13  1  0  0  0  0
 22 21  1  0  0  0  0
 23 14  1  0  0  0  0
 24 15  1  0  0  0  0
  5  4  2  0  0  0  0
 24 23  1  0  0  0  0
 13 19  1  0  0  0  0
M  END
>  <Mol_ID> (5,084)
5084

>  <Formula> (5,084)
C19H20N2O2S

>  <MolWeight> (5,084)
340.4393

>  <COMPOUND_NAME> (5,084)
WAY-347350

>  <BAR_CODE_NO> (5,084)
2557523

$$$$
WAY-347453
csChFnd80/06171916332D

 21 23  0  0  0  0  0  0  0  0999 V2000
    3.2917   -0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5750   -1.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2917   -0.1167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5750    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9125   -1.5042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8542   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8542   -0.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7417   -2.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5667   -2.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0125    0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5750    1.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417    0.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0292   -2.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7250   -0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417   -1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167   -2.1625    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.4417    0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292   -0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292   -0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4417    1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1542   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  1  2  0  0  0  0
  6  4  1  0  0  0  0
  7  2  1  0  0  0  0
  8  2  1  0  0  0  0
  9  5  1  0  0  0  0
 10  3  1  0  0  0  0
 11  4  2  0  0  0  0
 12  6  2  0  0  0  0
 13  8  1  0  0  0  0
 14 10  1  0  0  0  0
 15  7  2  0  0  0  0
 16 13  1  0  0  0  0
 17 14  1  0  0  0  0
 18 12  1  0  0  0  0
 19 15  1  0  0  0  0
 20 17  1  0  0  0  0
 21 17  1  0  0  0  0
  9  8  2  0  0  0  0
  7  6  1  0  0  0  0
 19 18  2  0  0  0  0
M  END
>  <Mol_ID> (5,085)
5085

>  <Formula> (5,085)
C15H17ClN4O

>  <MolWeight> (5,085)
304.77468

>  <COMPOUND_NAME> (5,085)
WAY-347453

>  <BAR_CODE_NO> (5,085)
2557972

$$$$
WAY-347626
csChFnd80/06171916332D

 23 25  0  0  0  0  0  0  0  0999 V2000
    7.6375   -8.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4167  -12.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0542   -9.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6042  -11.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5375  -11.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4417   -6.6542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8417  -12.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2250    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8875   -7.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0042   -6.6167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1875   -1.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6625  -10.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1792   -8.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7958    0.2708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2292  -11.4917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667   -3.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1250   -1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0542   -4.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667    1.9583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1125   -4.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0750   -3.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3250  -14.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  2  0  0  0  0
  7  5  2  0  0  0  0
  8 11  1  0  0  0  0
  9  3  2  0  0  0  0
 10  6  1  0  0  0  0
 11 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13  9  1  0  0  0  0
 14  8  2  0  0  0  0
 15  4  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  2  0  0  0  0
 18 10  1  0  0  0  0
 19  8  1  0  0  0  0
 20 18  2  0  0  0  0
 21 18  1  0  0  0  0
 22  7  1  0  0  0  0
 23 13  1  0  0  0  0
  5  2  1  0  0  0  0
  7 12  1  0  0  0  0
 11 16  2  0  0  0  0
M  END
>  <Mol_ID> (5,086)
5086

>  <Formula> (5,086)
C17H15N3O3

>  <MolWeight> (5,086)
309.3193

>  <COMPOUND_NAME> (5,086)
WAY-347626

>  <BAR_CODE_NO> (5,086)
2557772

$$$$
WAY-347693
csChFnd80/06171916332D

 30 33  0  0  0  0  0  0  0  0999 V2000
    9.5375   -7.4625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8917   -6.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3250   -7.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9125   -5.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9417   -6.3417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2542   -8.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4542   -8.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0375   -5.9250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6250   -8.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9417   -4.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7167   -5.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1625   -9.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9500   -7.1917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3667   -9.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0917  -10.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3375   -4.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9292   -6.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9125   -3.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0042   -3.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2917   -9.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6042  -11.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0292   -2.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1625   -4.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7500   -6.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9417   -2.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -10.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3042  -12.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0042   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3625   -4.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5042  -12.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  2  2  0  0  0  0
  9  3  2  0  0  0  0
 10  4  1  0  0  0  0
 11  4  1  0  0  0  0
 12  7  1  0  0  0  0
 13  7  2  0  0  0  0
 14 12  1  0  0  0  0
 15 14  1  0  0  0  0
 16 11  2  0  0  0  0
 17 11  1  0  0  0  0
 18 10  1  0  0  0  0
 19 10  2  0  0  0  0
 20 15  2  0  0  0  0
 21 15  1  0  0  0  0
 22 19  1  0  0  0  0
 23 16  1  0  0  0  0
 24 17  2  0  0  0  0
 25 18  2  0  0  0  0
 26 20  1  0  0  0  0
 27 21  2  0  0  0  0
 28 22  2  0  0  0  0
 29 24  1  0  0  0  0
 30 27  1  0  0  0  0
  5  4  1  0  0  0  0
 23 29  2  0  0  0  0
 28 25  1  0  0  0  0
 26 30  2  0  0  0  0
M  END
>  <Mol_ID> (5,087)
5087

>  <Formula> (5,087)
C24H21N3O3

>  <MolWeight> (5,087)
399.44184

>  <COMPOUND_NAME> (5,087)
WAY-347693

>  <BAR_CODE_NO> (5,087)
2557884

$$$$
WAY-347896
csChFnd80/06171916332D

 30 33  0  0  0  0  0  0  0  0999 V2000
    8.4417   -5.1625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1250   -5.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1042   -6.9625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2417   -6.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4250   -7.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8792   -3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2792   -8.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6000   -6.2917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.6167   -7.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9417   -9.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0417   -4.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2000  -11.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8625   -3.8125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2875   -6.3417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2667   -7.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8625  -10.9917    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.9667   -2.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3250   -9.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9042   -5.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9167   -3.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9917   -5.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0125   -3.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9125  -12.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000   -1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6500   -3.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -11.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2917  -12.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7292   -2.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4917   -0.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1417   -0.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  1  1  0  0  0  0
  7  9  1  0  0  0  0
  8  4  1  0  0  0  0
  9 15  1  0  0  0  0
 10  7  1  0  0  0  0
 11  2  1  0  0  0  0
 12 10  2  0  0  0  0
 13 20  2  0  0  0  0
 14  9  2  0  0  0  0
 15  8  1  0  0  0  0
 16 12  1  0  0  0  0
 17  6  1  0  0  0  0
 18 10  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 11  1  0  0  0  0
 22 11  2  0  0  0  0
 23 12  1  0  0  0  0
 24 17  1  0  0  0  0
 25 17  2  0  0  0  0
 26 18  2  0  0  0  0
 27 26  1  0  0  0  0
 28 25  1  0  0  0  0
 29 24  2  0  0  0  0
 30 28  2  0  0  0  0
  3  5  1  0  0  0  0
 19 13  1  0  0  0  0
 29 30  1  0  0  0  0
 23 27  2  0  0  0  0
M  END
>  <Mol_ID> (5,088)
5088

>  <Formula> (5,088)
C22H18FN5OS

>  <MolWeight> (5,088)
419.4746232

>  <COMPOUND_NAME> (5,088)
WAY-347896

>  <BAR_CODE_NO> (5,088)
2558061

$$$$
WAY-348105
csChFnd80/06171916332D

 16 17  0  0  0  0  0  0  0  0999 V2000
    6.4625   -4.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1792   -5.1792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7417   -5.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0250   -6.4292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3125   -6.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7417   -6.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4542   -3.9417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8917   -4.7667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.0250   -4.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3125   -5.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5917   -6.4417    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.1750   -6.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8917   -3.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6042   -5.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8875   -6.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6042   -6.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  6  2  0  0  0  0
  5 10  2  0  0  0  0
  6  3  1  0  0  0  0
  7  1  2  0  0  0  0
  8  2  1  0  0  0  0
  9  3  2  0  0  0  0
 10  9  1  0  0  0  0
 11  5  1  0  0  0  0
 12  2  1  0  0  0  0
 13  8  1  0  0  0  0
 14  8  1  0  0  0  0
 15 12  1  0  0  0  0
 16 15  1  0  0  0  0
  4  5  1  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <Mol_ID> (5,089)
5089

>  <Formula> (5,089)
C12H15ClN2O

>  <MolWeight> (5,089)
238.7133

>  <COMPOUND_NAME> (5,089)
WAY-348105

>  <BAR_CODE_NO> (5,089)
2558439

$$$$
WAY-348215
csChFnd80/06171916332D

 29 32  0  0  0  0  0  0  0  0999 V2000
    8.4542   -5.1667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1292   -5.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1125   -6.9667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2500   -6.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4292   -7.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8875   -3.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6125   -6.3000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.6292   -7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0500   -5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2875   -8.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8667   -3.8167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3000   -6.3417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2750   -7.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9500   -9.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9750   -2.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9167   -3.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9042   -5.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0167   -3.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9917   -5.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3292   -9.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2167  -11.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4042   -1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6542   -3.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -11.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4917   -0.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7375   -2.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8792  -12.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2542  -12.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1542   -0.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8 13  1  0  0  0  0
  9  2  1  0  0  0  0
 10  8  1  0  0  0  0
 11 17  1  0  0  0  0
 12  8  2  0  0  0  0
 13  7  1  0  0  0  0
 14 10  1  0  0  0  0
 15  6  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18  9  2  0  0  0  0
 19  9  1  0  0  0  0
 20 14  1  0  0  0  0
 21 14  2  0  0  0  0
 22 15  1  0  0  0  0
 23 15  2  0  0  0  0
 24 20  2  0  0  0  0
 25 22  2  0  0  0  0
 26 23  1  0  0  0  0
 27 21  1  0  0  0  0
 28 27  2  0  0  0  0
 29 26  2  0  0  0  0
  3  5  1  0  0  0  0
 16 11  2  0  0  0  0
 25 29  1  0  0  0  0
 24 28  1  0  0  0  0
M  END
>  <Mol_ID> (5,090)
5090

>  <Formula> (5,090)
C22H19N5OS

>  <MolWeight> (5,090)
401.48416

>  <COMPOUND_NAME> (5,090)
WAY-348215

>  <BAR_CODE_NO> (5,090)
2558505

$$$$
WAY-348375
csChFnd80/06171916332D

 26 28  0  0  0  0  0  0  0  0999 V2000
    9.7360    3.9160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6044    3.0986    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3049    5.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3572    2.1152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9083    5.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4659    3.9160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0675    3.4849    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.6842    1.6840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5609    0.5052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7306    2.6159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2249    0.9431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2775    2.2499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9739    0.3121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5731    1.8255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9811    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2077    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9487    2.3105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6217    2.7416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8695    0.4536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6451    4.0709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1389    3.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6346    3.1391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3621    5.4361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0553    5.8739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2829    3.5904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  7  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  4  1  0  0  0  0
  9  4  2  0  0  0  0
 10  8  2  0  0  0  0
 11  9  1  0  0  0  0
 12 14  1  0  0  0  0
 13  8  1  0  0  0  0
 14 18  2  0  0  0  0
 15 12  1  0  0  0  0
 16 11  1  0  0  0  0
 17 11  2  0  0  0  0
 18 17  1  0  0  0  0
 19 16  2  0  0  0  0
 20 15  1  0  0  0  0
 21  6  1  0  0  0  0
 22 20  1  0  0  0  0
 23 20  2  0  0  0  0
 24 23  1  0  0  0  0
 25 22  2  0  0  0  0
 26 24  2  0  0  0  0
  5  6  2  0  0  0  0
 19 14  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (5,091)
5091

>  <Formula> (5,091)
C19H17N3O3S

>  <MolWeight> (5,091)
367.42158

>  <COMPOUND_NAME> (5,091)
WAY-348375

>  <BAR_CODE_NO> (5,091)
2558404

$$$$
WAY-349353
csChFnd80/06171916332D

 21 23  0  0  0  0  0  0  0  0999 V2000
    9.7375   -8.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0625   -7.9292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8750   -8.8667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0625   -9.7792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.4417   -9.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9792   -9.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5792   -9.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9792   -8.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2875   -8.8542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9917  -10.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8625   -9.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1417   -8.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8750  -10.8292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1500  -10.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9917   -7.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0042   -9.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2875  -10.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -9.8417    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0042   -8.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0042  -10.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0042   -9.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  7  5  1  0  0  0  0
  8  2  1  0  0  0  0
  9 12  2  0  0  0  0
 10  6  2  0  0  0  0
 11 17  2  0  0  0  0
 12  7  1  0  0  0  0
 13  5  2  0  0  0  0
 14  7  2  0  0  0  0
 15  8  2  0  0  0  0
 16 10  1  0  0  0  0
 17 14  1  0  0  0  0
 18 11  1  0  0  0  0
 19 15  1  0  0  0  0
 20 16  1  0  0  0  0
 21 20  1  0  0  0  0
  6  8  1  0  0  0  0
 16 19  2  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <Mol_ID> (5,092)
5092

>  <Formula> (5,092)
C14H10ClN3O2S

>  <MolWeight> (5,092)
319.7661

>  <COMPOUND_NAME> (5,092)
WAY-349353

>  <BAR_CODE_NO> (5,092)
2559586

$$$$
WAY-349836
csChFnd80/06171916332D

 21 23  0  0  0  0  0  0  0  0999 V2000
    5.4500   -5.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7292   -6.1292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4500   -4.8917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7292   -4.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0625   -6.2750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0167   -4.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0167   -5.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000   -6.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7250   -7.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7292   -3.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1667   -4.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3042   -4.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3417   -7.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3042   -6.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9292   -8.1375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.9625   -4.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5917   -4.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3375   -4.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5917   -5.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5417   -4.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9167   -3.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  1  2  0  0  0  0
  6  4  1  0  0  0  0
  7  2  1  0  0  0  0
  8  2  1  0  0  0  0
  9  5  1  0  0  0  0
 10  4  2  0  0  0  0
 11  3  1  0  0  0  0
 12  6  2  0  0  0  0
 13  8  1  0  0  0  0
 14  7  2  0  0  0  0
 15 13  1  0  0  0  0
 16 11  1  0  0  0  0
 17 12  1  0  0  0  0
 18 20  1  0  0  0  0
 19 14  1  0  0  0  0
 20 16  1  0  0  0  0
 21 18  1  0  0  0  0
  9  8  2  0  0  0  0
  7  6  1  0  0  0  0
 19 17  2  0  0  0  0
M  END
>  <Mol_ID> (5,093)
5093

>  <Formula> (5,093)
C15H17ClN4O

>  <MolWeight> (5,093)
304.77468

>  <COMPOUND_NAME> (5,093)
WAY-349836

>  <BAR_CODE_NO> (5,093)
2560433

$$$$
WAY-350018
csChFnd80/06171916332D

 23 25  0  0  0  0  0  0  0  0999 V2000
    1.0376    2.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0238    2.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5583    1.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5480    3.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4762    1.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4796    3.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0687    0.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0376    3.9828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0204    0.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0204    4.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5687   -0.4517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5721   -0.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0859   -1.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5721   -2.2517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1204   -1.3793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0003   -2.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5141   -1.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5313   -3.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5279   -1.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5417   -3.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0417   -2.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0417   -0.4517    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0796   -2.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
 21 23  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (5,094)
5094

>  <Formula> (5,094)
C19H16FNO2

>  <MolWeight> (5,094)
309.3342432

>  <COMPOUND_NAME> (5,094)
WAY-350018

>  <BAR_CODE_NO> (5,094)
2560282

$$$$
WAY-350568
csChFnd80/06171916332D

 31 35  0  0  0  0  0  0  0  0999 V2000
   11.6042  -10.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3417  -10.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1667  -10.4500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6792   -9.4792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7917   -6.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4042   -7.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4917   -9.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2167   -9.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2792  -11.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5542  -11.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5792   -6.4167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3667   -5.3292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.1125   -8.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7375  -11.6792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4417   -9.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2292   -8.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6167   -7.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8292   -8.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4500   -7.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3875   -8.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0542   -6.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3292   -6.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5292   -4.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7417   -4.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9542   -5.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6667  -12.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2250  -12.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9250   -4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3292  -13.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6125  -13.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3 10  1  0  0  0  0
  4  2  1  0  0  0  0
  5  6  1  0  0  0  0
  6 17  1  0  0  0  0
  7  8  1  0  0  0  0
  8  1  2  0  0  0  0
  9  1  1  0  0  0  0
 10  9  1  0  0  0  0
 11  5  1  0  0  0  0
 12  5  2  0  0  0  0
 13  7  1  0  0  0  0
 14  2  2  0  0  0  0
 15  4  1  0  0  0  0
 16  4  1  0  0  0  0
 17 16  1  0  0  0  0
 18 15  1  0  0  0  0
 19 13  1  0  0  0  0
 20 13  2  0  0  0  0
 21 20  1  0  0  0  0
 22 19  2  0  0  0  0
 23 21  2  0  0  0  0
 24 25  2  0  0  0  0
 25 12  1  0  0  0  0
 26 11  2  0  0  0  0
 27  9  2  0  0  0  0
 28 10  2  0  0  0  0
 29 23  1  0  0  0  0
 30 27  1  0  0  0  0
 31 30  2  0  0  0  0
  7  3  2  0  0  0  0
 31 28  1  0  0  0  0
  6 18  1  0  0  0  0
 23 22  1  0  0  0  0
 26 24  1  0  0  0  0
M  END
>  <Mol_ID> (5,095)
5095

>  <Formula> (5,095)
C25H23N5O

>  <MolWeight> (5,095)
409.48302

>  <COMPOUND_NAME> (5,095)
WAY-350568

>  <BAR_CODE_NO> (5,095)
2560799

$$$$
WAY-351285
csChFnd80/06171916332D

 28 30  0  0  0  0  0  0  0  0999 V2000
    0.2917   -0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2917    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083   -1.5125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3208    0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3208   -0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083    1.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7125   -1.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7125    1.2083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5875    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4542    8.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1792    2.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9875    7.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6500    2.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3583   -1.3417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000    2.7208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1167    4.3542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5167    6.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4500    2.0458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000   -2.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3583    1.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2542    7.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.8250    9.2792    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.6292    8.3833    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.0542    6.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5792    4.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9792    8.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5167    8.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0500    7.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  7  2  0  0  0  0
 10 12  1  0  0  0  0
 11  8  1  0  0  0  0
 12 17  1  0  0  0  0
 13 11  1  0  0  0  0
 14  5  2  0  0  0  0
 15  6  2  0  0  0  0
 16 13  1  0  0  0  0
 17 24  2  0  0  0  0
 18 13  2  0  0  0  0
 19  3  1  0  0  0  0
 20  4  1  0  0  0  0
 21 10  1  0  0  0  0
 22 10  1  0  0  0  0
 23 10  1  0  0  0  0
 24 25  1  0  0  0  0
 25 16  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 24  1  0  0  0  0
  9  8  1  0  0  0  0
  4  6  1  0  0  0  0
 12 26  2  0  0  0  0
M  END
>  <Mol_ID> (5,096)
5096

>  <Formula> (5,096)
C17H16F3N5O3

>  <MolWeight> (5,096)
395.3358496

>  <COMPOUND_NAME> (5,096)
WAY-351285

>  <BAR_CODE_NO> (5,096)
2561489

$$$$
WAY-351479
csChFnd80/06171916332D

 28 30  0  0  0  0  0  0  0  0999 V2000
    2.0792   -0.9125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4792   -1.7167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6917   -0.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6500   -4.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917   -2.3167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8917    0.4833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4417   -4.1625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2292   -4.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8667   -0.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4792   -3.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2542   -3.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0542   -3.3542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6375   -5.7667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6042   -3.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8417   -3.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8500   -4.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2542   -1.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7125   -0.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6917    1.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1083   -0.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7125    2.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1083    1.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6167   -1.7667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2125   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -4.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5000    2.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5792   -6.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9750   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4 11  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  2  0  0  0  0
  7 12  1  0  0  0  0
  8 15  1  0  0  0  0
  9  2  1  0  0  0  0
 10  2  1  0  0  0  0
 11 16  1  0  0  0  0
 12  4  1  0  0  0  0
 13  4  2  0  0  0  0
 14  8  1  0  0  0  0
 15  7  2  0  0  0  0
 16 10  1  0  0  0  0
 17  9  1  0  0  0  0
 18  3  2  0  0  0  0
 19  3  1  0  0  0  0
 20 18  1  0  0  0  0
 21 19  2  0  0  0  0
 22 21  1  0  0  0  0
 23 14  1  0  0  0  0
 24  8  2  0  0  0  0
 25 14  2  0  0  0  0
 26 22  1  0  0  0  0
 27 24  1  0  0  0  0
 28 27  2  0  0  0  0
 17 11  1  0  0  0  0
 22 20  2  0  0  0  0
 28 25  1  0  0  0  0
M  END
>  <Mol_ID> (5,097)
5097

>  <Formula> (5,097)
C20H23N3O4S

>  <MolWeight> (5,097)
401.47932

>  <COMPOUND_NAME> (5,097)
WAY-351479

>  <BAR_CODE_NO> (5,097)
2561787

$$$$
WAY-351850
csChFnd80/06171916332D

 24 26  0  0  0  0  0  0  0  0999 V2000
    8.4542   -4.0417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4292   -4.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4417   -5.4792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1042   -4.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4792   -5.8042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4500   -6.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1000   -7.7417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.0750   -5.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4500   -3.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3500   -6.8500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.1375   -7.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1167   -6.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1875   -4.9292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.8125   -5.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5375   -4.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3667   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7167   -5.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7792   -2.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5625   -4.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3792   -2.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4000   -2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -5.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4917   -2.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6417   -4.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6 10  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
  9  2  1  0  0  0  0
 10 14  1  0  0  0  0
 11  7  1  0  0  0  0
 12  8  2  0  0  0  0
 13  4  1  0  0  0  0
 14 17  1  0  0  0  0
 15  9  1  0  0  0  0
 16 14  2  0  0  0  0
 17 13  1  0  0  0  0
 18  1  1  0  0  0  0
 19 15  2  0  0  0  0
 20  9  2  0  0  0  0
 21 20  1  0  0  0  0
 22 12  1  0  0  0  0
 23 21  2  0  0  0  0
 24 19  1  0  0  0  0
  5  3  1  0  0  0  0
 19 23  1  0  0  0  0
 12 11  1  0  0  0  0
M  END
>  <Mol_ID> (5,098)
5098

>  <Formula> (5,098)
C16H17N5O2S

>  <MolWeight> (5,098)
343.40348

>  <COMPOUND_NAME> (5,098)
WAY-351850

>  <BAR_CODE_NO> (5,098)
2562138

$$$$
WAY-351892
csChFnd80/06171916332D

 27 31  0  0  0  0  0  0  0  0999 V2000
   12.7542   -9.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2792   -9.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3750   -5.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5542   -4.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6042  -11.3542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6750   -7.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1542  -11.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5292   -3.3542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.8417   -5.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0292   -4.5875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2792  -12.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1542   -7.2292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0000   -8.4042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9292   -3.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4792   -8.4042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3167   -5.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3042   -8.7542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -11.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7167  -11.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1125   -6.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2792   -3.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9750  -13.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8000   -5.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3917  -13.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4667   -5.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5542   -4.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5167  -14.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  6  1  0  0  0  0
  4  3  2  0  0  0  0
  5  2  1  0  0  0  0
  6 15  1  0  0  0  0
  7  1  1  0  0  0  0
  8  4  1  0  0  0  0
  9  3  1  0  0  0  0
 10 16  2  0  0  0  0
 11  7  2  0  0  0  0
 12  6  2  0  0  0  0
 13  1  2  0  0  0  0
 14  9  2  0  0  0  0
 15 13  1  0  0  0  0
 16 12  1  0  0  0  0
 17  2  2  0  0  0  0
 18  5  1  0  0  0  0
 19  7  1  0  0  0  0
 20  9  1  0  0  0  0
 21 14  1  0  0  0  0
 22 11  1  0  0  0  0
 23 16  1  0  0  0  0
 24 19  2  0  0  0  0
 25 20  1  0  0  0  0
 26 25  1  0  0  0  0
 27 24  1  0  0  0  0
  5 11  1  0  0  0  0
 27 22  2  0  0  0  0
  4 10  1  0  0  0  0
  8 14  1  0  0  0  0
 26 21  1  0  0  0  0
M  END
>  <Mol_ID> (5,099)
5099

>  <Formula> (5,099)
C20H19N5OS

>  <MolWeight> (5,099)
377.46276

>  <COMPOUND_NAME> (5,099)
WAY-351892

>  <BAR_CODE_NO> (5,099)
2562153

$$$$
WAY-352116
csChFnd80/06171916332D

 22 24  0  0  0  0  0  0  0  0999 V2000
    8.6292   -6.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6042   -6.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6792   -7.7167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1042   -7.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7625   -8.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2417   -5.5792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2417   -5.5792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3667   -6.0667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7417   -4.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7417   -4.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5417   -8.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1292   -7.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4292   -9.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2417   -3.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2417   -3.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4167   -7.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2750   -8.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8000   -8.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4542   -9.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7417   -2.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1417   -7.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7417   -2.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  1  2  0  0  0  0
  7  6  1  0  0  0  0
  8  2  2  0  0  0  0
  9  7  1  0  0  0  0
 10  9  2  0  0  0  0
 11  3  1  0  0  0  0
 12  4  1  0  0  0  0
 13  5  1  0  0  0  0
 14 10  1  0  0  0  0
 15  9  1  0  0  0  0
 16 11  1  0  0  0  0
 17 16  1  0  0  0  0
 18 12  2  0  0  0  0
 19 18  1  0  0  0  0
 20 22  1  0  0  0  0
 21 17  1  0  0  0  0
 22 15  2  0  0  0  0
  3  5  1  0  0  0  0
 19 13  2  0  0  0  0
 20 14  2  0  0  0  0
M  END
>  <Mol_ID> (5,100)
5100

>  <Formula> (5,100)
C17H18N4O

>  <MolWeight> (5,100)
294.35102

>  <COMPOUND_NAME> (5,100)
WAY-352116

>  <BAR_CODE_NO> (5,100)
2563381

$$$$
WAY-352257
csChFnd80/06171916332D

 20 21  0  0  0  0  0  0  0  0999 V2000
    1.1000    3.9958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    2.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1917    0.3458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708    1.0083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000    3.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7250    2.2083    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.2250   -1.6750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3542   -3.6167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.1042    0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5917   -3.6167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.7750    6.1417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2042    2.1958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8417    0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7250   -5.5667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.8583    4.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2292   -5.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3625   -7.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7167   -1.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6125   -7.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -5.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  9  1  0  0  0  0
  8  7  1  0  0  0  0
  9 13  1  0  0  0  0
 10  8  1  0  0  0  0
 11  1  1  0  0  0  0
 12  9  2  0  0  0  0
 13  6  1  0  0  0  0
 14 10  1  0  0  0  0
 15  5  1  0  0  0  0
 16  8  1  0  0  0  0
 17 16  1  0  0  0  0
 18 10  1  0  0  0  0
 19 17  1  0  0  0  0
 20 14  1  0  0  0  0
  3  4  1  0  0  0  0
 14 19  1  0  0  0  0
M  END
>  <Mol_ID> (5,101)
5101

>  <Formula> (5,101)
C13H23N5OS

>  <MolWeight> (5,101)
297.41962

>  <COMPOUND_NAME> (5,101)
WAY-352257

>  <BAR_CODE_NO> (5,101)
2562540

$$$$
WAY-352832
csChFnd80/06171916332D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -1.1579   -0.5754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5475   -1.3547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3061   -0.5134    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4958    0.1866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4130   -1.4030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0854   -2.0651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1199    0.3246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8613    0.7694    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8061   -2.1479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4785   -2.8547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6249    0.7694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3130   -2.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3697    0.3246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6854   -3.6858    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.1387    0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3697   -0.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1387    1.6246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3973    2.0418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8697    2.0521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3870    2.9073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8594    2.9177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1146    3.3418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  9 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
  7  8  1  0  0  0  0
 10 12  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (5,102)
5102

>  <Formula> (5,102)
C17H13BrN2OS

>  <MolWeight> (5,102)
373.26692

>  <COMPOUND_NAME> (5,102)
WAY-352832

>  <BAR_CODE_NO> (5,102)
2563143

$$$$
WAY-352851
csChFnd80/06171916332D

 20 21  0  0  0  0  0  0  0  0999 V2000
   11.9000   -9.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9542  -13.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2750  -12.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2292   -9.8167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2542  -11.0042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.9250  -10.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2917  -13.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3667   -6.5625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2167   -8.6792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.9417  -12.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0167   -7.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3042  -14.4542    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   15.2542  -10.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -14.4167    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.2917   -7.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9500   -8.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1042   -6.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4000   -8.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4875   -7.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1292   -8.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  6  2  0  0  0  0
  4  1  1  0  0  0  0
  5  1  2  0  0  0  0
  6  4  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  2  0  0  0  0
  9  1  1  0  0  0  0
 10 13  2  0  0  0  0
 11 15  1  0  0  0  0
 12  2  1  0  0  0  0
 13  6  1  0  0  0  0
 14  7  1  0  0  0  0
 15 16  1  0  0  0  0
 16  9  1  0  0  0  0
 17  8  1  0  0  0  0
 18 11  1  0  0  0  0
 19 20  1  0  0  0  0
 20 18  2  0  0  0  0
  7  2  2  0  0  0  0
 19 17  2  0  0  0  0
M  END
>  <Mol_ID> (5,103)
5103

>  <Formula> (5,103)
C14H13ClFN3S

>  <MolWeight> (5,103)
309.7895232

>  <COMPOUND_NAME> (5,103)
WAY-352851

>  <BAR_CODE_NO> (5,103)
2563177

$$$$
WAY-353294
csChFnd80/06171916332D

 22 24  0  0  0  0  0  0  0  0999 V2000
   10.4917  -11.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8792  -10.7167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7250  -11.7625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6417  -10.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3542  -12.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5792  -12.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2125  -13.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9000  -12.8167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.0167   -9.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7542   -7.5417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7542  -13.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6125  -14.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7792   -9.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1750  -11.7542    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.3667  -14.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2417  -16.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.0500  -11.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1500   -8.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8000  -11.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6167   -8.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0000   -7.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1792  -10.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  1  2  0  0  0  0
  9  4  1  0  0  0  0
 10 21  1  0  0  0  0
 11  5  1  0  0  0  0
 12 15  1  0  0  0  0
 13  9  2  0  0  0  0
 14  6  1  0  0  0  0
 15 11  2  0  0  0  0
 16 12  1  0  0  0  0
 17  4  2  0  0  0  0
 18 13  1  0  0  0  0
 19 17  1  0  0  0  0
 20  9  1  0  0  0  0
 21 20  2  0  0  0  0
 22 19  2  0  0  0  0
  7 12  2  0  0  0  0
 13 22  1  0  0  0  0
 10 18  2  0  0  0  0
M  END
>  <Mol_ID> (5,104)
5104

>  <Formula> (5,104)
C16H11Cl2N3S

>  <MolWeight> (5,104)
348.24964

>  <COMPOUND_NAME> (5,104)
WAY-353294

>  <BAR_CODE_NO> (5,104)
2563808

$$$$
WAY-353013
csChFnd80/06171916332D

 21 22  0  0  0  0  0  0  0  0999 V2000
    9.4667  -10.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3792   -6.3667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7792   -8.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1750   -7.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5125  -10.6125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9667  -11.5292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000   -6.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7542   -7.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9292   -9.7292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0500  -11.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1000  -13.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0917  -11.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5375  -12.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3167   -8.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6167  -12.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0625  -13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3542   -8.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6292  -14.1917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8917   -9.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1250  -15.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6500  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  2  0  0  0  0
  3 14  1  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  2  0  0  0  0
  7  8  2  0  0  0  0
  8  3  1  0  0  0  0
  9  1  1  0  0  0  0
 10  5  1  0  0  0  0
 11 16  2  0  0  0  0
 12 10  1  0  0  0  0
 13 10  2  0  0  0  0
 14 17  1  0  0  0  0
 15 12  2  0  0  0  0
 16 13  1  0  0  0  0
 17 19  1  0  0  0  0
 18 11  1  0  0  0  0
 19  9  1  0  0  0  0
 20 18  1  0  0  0  0
 21 20  1  0  0  0  0
 11 15  1  0  0  0  0
  7  2  1  0  0  0  0
M  END
>  <Mol_ID> (5,105)
5105

>  <Formula> (5,105)
C15H20N4OS

>  <MolWeight> (5,105)
304.4105

>  <COMPOUND_NAME> (5,105)
WAY-353013

>  <BAR_CODE_NO> (5,105)
2563337

$$$$
WAY-353025
csChFnd80/06171916332D

 16 18  0  0  0  0  0  0  0  0999 V2000
   10.1000   -3.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0500   -3.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0917   -5.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0500   -5.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5750   -6.4625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.7875   -2.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4917   -3.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5250   -6.4417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.9667   -3.8917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9417   -2.8667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -5.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1000   -0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1042   -1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4375    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4917   -1.3417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.9542   -0.4875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  4  1  0  0  0  0
  9  7  2  0  0  0  0
 10  6  1  0  0  0  0
 11  9  1  0  0  0  0
 12  6  2  0  0  0  0
 13 10  1  0  0  0  0
 14 12  1  0  0  0  0
 15  7  1  0  0  0  0
 16 15  1  0  0  0  0
  4  5  1  0  0  0  0
 13 14  2  0  0  0  0
 11  8  2  0  0  0  0
M  END
>  <Mol_ID> (5,106)
5106

>  <Formula> (5,106)
C10H8N4S2

>  <MolWeight> (5,106)
248.32732

>  <COMPOUND_NAME> (5,106)
WAY-353025

>  <BAR_CODE_NO> (5,106)
2563417

$$$$
WAY-353102
csChFnd80/06171916332D

 20 21  0  0  0  0  0  0  0  0999 V2000
    4.9067    3.6418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2035    4.8550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3265    3.6463    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2125    2.4354    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8038    4.8550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0275    2.4196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1029    3.6418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8999    6.0682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9961    7.2881    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2996    6.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6987    3.6396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8106    2.4219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3288    1.2020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4182    2.4264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1029    1.2065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0298    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1236    1.2199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7054    1.2065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4249    0.0023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  5  1  0  0  0  0
  8  2  1  0  0  0  0
  9 10  1  0  0  0  0
 10  8  1  0  0  0  0
 11  7  2  0  0  0  0
 12  7  1  0  0  0  0
 13  6  1  0  0  0  0
 14  6  1  0  0  0  0
 15 11  1  0  0  0  0
 16 12  2  0  0  0  0
 17 13  1  0  0  0  0
 18 14  1  0  0  0  0
 19 16  1  0  0  0  0
 20 18  1  0  0  0  0
 20 17  1  0  0  0  0
 15 19  2  0  0  0  0
M  END
>  <Mol_ID> (5,107)
5107

>  <Formula> (5,107)
C16H24N2OS

>  <MolWeight> (5,107)
292.43956

>  <COMPOUND_NAME> (5,107)
WAY-353102

>  <BAR_CODE_NO> (5,107)
2563452

$$$$
WAY-353173
csChFnd80/06171916332D

 20 22  0  0  0  0  0  0  0  0999 V2000
   13.8042   -7.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0917   -6.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.5750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.9167   -8.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6125   -4.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2750   -8.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2125   -4.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4292   -5.6042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.7292   -5.5542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4542   -6.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3292   -5.5917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3625   -3.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2667   -3.1667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0917   -5.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0417   -3.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4417   -5.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9625   -9.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6792  -10.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3542  -10.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7375  -11.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5 11  1  0  0  0  0
  6  4  2  0  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
  9 10  2  0  0  0  0
 10  1  1  0  0  0  0
 11  9  1  0  0  0  0
 12  7  2  0  0  0  0
 13  5  2  0  0  0  0
 14  8  1  0  0  0  0
 15 12  1  0  0  0  0
 16  2  1  0  0  0  0
 17  4  1  0  0  0  0
 18  6  1  0  0  0  0
 19 17  2  0  0  0  0
 20 19  1  0  0  0  0
  3  6  1  0  0  0  0
 18 20  2  0  0  0  0
 15 14  2  0  0  0  0
M  END
>  <Mol_ID> (5,108)
5108

>  <Formula> (5,108)
C15H13N3OS

>  <MolWeight> (5,108)
283.34822

>  <COMPOUND_NAME> (5,108)
WAY-353173

>  <BAR_CODE_NO> (5,108)
2563551

$$$$
WAY-353497
csChFnd80/06171916332D

 24 26  0  0  0  0  0  0  0  0999 V2000
   10.3125  -10.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5667  -10.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6542   -9.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2167  -11.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8000   -6.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4792  -11.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6125   -6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7042  -11.5167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4167   -7.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1667   -9.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0875  -10.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4292   -9.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0375   -7.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8417   -8.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4625   -9.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6542   -8.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3667   -5.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9917   -5.2667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1292  -12.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3417  -10.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7542   -4.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8042   -5.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3917  -12.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -11.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  9  1  0  0  0  0
  6  4  1  0  0  0  0
  7 13  1  0  0  0  0
  8  1  2  0  0  0  0
  9 14  2  0  0  0  0
 10  2  1  0  0  0  0
 11 12  1  0  0  0  0
 12 10  2  0  0  0  0
 13 16  2  0  0  0  0
 14 15  1  0  0  0  0
 15  3  1  0  0  0  0
 16 14  1  0  0  0  0
 17  5  1  0  0  0  0
 18  7  1  0  0  0  0
 19  6  1  0  0  0  0
 20 11  1  0  0  0  0
 21 17  1  0  0  0  0
 22 18  1  0  0  0  0
 23 19  2  0  0  0  0
 24 20  2  0  0  0  0
 11  6  2  0  0  0  0
  5  7  2  0  0  0  0
 24 23  1  0  0  0  0
M  END
>  <Mol_ID> (5,109)
5109

>  <Formula> (5,109)
C20H19NO3

>  <MolWeight> (5,109)
321.36976

>  <COMPOUND_NAME> (5,109)
WAY-353497

>  <BAR_CODE_NO> (5,109)
2563861

$$$$
WAY-353519
csChFnd80/06171916332D

 28 31  0  0  0  0  0  0  0  0999 V2000
   12.8042  -11.0042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.0667   -8.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4417   -7.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1250   -8.2792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4417   -9.1250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.7167  -10.4667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6417   -9.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2625  -10.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4375   -7.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4375   -8.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6917   -9.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2125  -10.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8792  -11.5417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3375  -11.9250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1167  -10.0917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5250  -11.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7042   -9.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7917   -9.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2125   -8.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2667   -8.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5250   -7.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5250   -9.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5167   -8.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5417  -10.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6042   -8.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6042   -7.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -9.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5375   -9.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  2  2  0  0  0  0
  4  7  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7 11  1  0  0  0  0
  8  1  1  0  0  0  0
  9  3  1  0  0  0  0
 10  5  1  0  0  0  0
 11 12  1  0  0  0  0
 12  8  2  0  0  0  0
 13  1  2  0  0  0  0
 14  1  2  0  0  0  0
 15  7  2  0  0  0  0
 16  6  1  0  0  0  0
 17  6  1  0  0  0  0
 18  8  1  0  0  0  0
 19 20  1  0  0  0  0
 20 18  2  0  0  0  0
 21  9  2  0  0  0  0
 22 10  2  0  0  0  0
 23 17  1  0  0  0  0
 24 16  1  0  0  0  0
 25 22  1  0  0  0  0
 26 21  1  0  0  0  0
 27 24  1  0  0  0  0
 28 23  1  0  0  0  0
 11 19  2  0  0  0  0
 27 28  1  0  0  0  0
  9 10  1  0  0  0  0
 26 25  2  0  0  0  0
M  END
>  <Mol_ID> (5,110)
5110

>  <Formula> (5,110)
C20H21N3O3S2

>  <MolWeight> (5,110)
415.52904

>  <COMPOUND_NAME> (5,110)
WAY-353519

>  <BAR_CODE_NO> (5,110)
2563872

$$$$
WAY-353591
csChFnd80/06171916332D

 21 23  0  0  0  0  0  0  0  0999 V2000
   10.4917  -11.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8792  -10.7167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6417  -10.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7250  -11.7542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8792  -12.8292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.0167   -9.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7542   -7.5417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7792   -9.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3542  -12.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5792  -14.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2042  -16.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.5792  -12.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7417  -13.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1917  -13.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3542  -14.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0500  -11.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1500   -8.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8000  -11.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6167   -8.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0000   -7.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1792  -10.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  2  0  0  0  0
  6  3  1  0  0  0  0
  7 20  1  0  0  0  0
  8  6  2  0  0  0  0
  9  4  1  0  0  0  0
 10 15  1  0  0  0  0
 11 10  1  0  0  0  0
 12  9  2  0  0  0  0
 13  9  1  0  0  0  0
 14 12  1  0  0  0  0
 15 13  2  0  0  0  0
 16  3  2  0  0  0  0
 17  8  1  0  0  0  0
 18 16  1  0  0  0  0
 19  6  1  0  0  0  0
 20 19  2  0  0  0  0
 21 18  2  0  0  0  0
 14 10  2  0  0  0  0
  8 21  1  0  0  0  0
 17  7  2  0  0  0  0
M  END
>  <Mol_ID> (5,111)
5111

>  <Formula> (5,111)
C16H12FN3S

>  <MolWeight> (5,111)
297.3499832

>  <COMPOUND_NAME> (5,111)
WAY-353591

>  <BAR_CODE_NO> (5,111)
2564034

$$$$
WAY-353603
csChFnd80/06171916332D

 18 19  0  0  0  0  0  0  0  0999 V2000
    0.8554    0.5452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2653   -0.0548    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8968    1.8142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9347   -0.0962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3446    0.6038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0243    2.4349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0657    0.5038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4653   -0.0134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3032    1.8866    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0864    1.7556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4964   -1.2858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2140    2.3349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5860   -1.9237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4032   -1.8858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2657    3.6038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5860   -3.2030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3964   -3.1858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4964   -3.8341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
  7 10  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (5,112)
5112

>  <Formula> (5,112)
C15H21NO2

>  <MolWeight> (5,112)
247.33274

>  <COMPOUND_NAME> (5,112)
WAY-353603

>  <BAR_CODE_NO> (5,112)
2564047

$$$$
WAY-354436
csChFnd80/06171916332D

 24 26  0  0  0  0  0  0  0  0999 V2000
   10.5917   -6.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3625   -6.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2792   -4.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3042   -7.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7000   -4.6875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7167   -7.7500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.4500   -9.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4625   -4.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0042   -6.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000   -3.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9250   -4.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1417   -3.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1500   -6.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6792   -9.3125    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.7042   -3.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0792   -7.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3625  -10.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6125   -1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1500   -3.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -9.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1417  -10.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7000   -0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9833   -1.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1583   -0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3 12  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  2  0  0  0  0
  7  4  2  0  0  0  0
  8  3  1  0  0  0  0
  9 11  1  0  0  0  0
 10 11  1  0  0  0  0
 11  5  1  0  0  0  0
 12 10  1  0  0  0  0
 13  9  1  0  0  0  0
 14  7  1  0  0  0  0
 15  8  1  0  0  0  0
 16  4  1  0  0  0  0
 17  7  1  0  0  0  0
 18 15  2  0  0  0  0
 19 15  1  0  0  0  0
 20 16  2  0  0  0  0
 21 20  1  0  0  0  0
 22 18  1  0  0  0  0
 23 19  2  0  0  0  0
 24 23  1  0  0  0  0
  3 13  1  0  0  0  0
 17 21  2  0  0  0  0
 24 22  2  0  0  0  0
M  END
>  <Mol_ID> (5,113)
5113

>  <Formula> (5,113)
C19H22FN3S

>  <MolWeight> (5,113)
343.4614832

>  <COMPOUND_NAME> (5,113)
WAY-354436

>  <BAR_CODE_NO> (5,113)
2564648

$$$$
WAY-354574
csChFnd80/06171916332D

 27 29  0  0  0  0  0  0  0  0999 V2000
   10.8750   -9.8750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.3417   -9.0250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0167   -8.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8500   -6.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3417   -8.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4000  -10.7250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7167  -11.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5250   -6.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0125   -5.4667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9917   -8.3667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4042   -5.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4250   -2.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6375   -1.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6250   -4.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4375    0.0750    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   13.6292  -10.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3375   -7.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8792   -6.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3667   -5.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0542   -5.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417   -2.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0417   -1.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0375   -4.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6500   -6.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2625   -9.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2667   -6.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  8  1  0  0  0  0
  5  3  2  0  0  0  0
  6  1  2  0  0  0  0
  7  1  2  0  0  0  0
  8  5  1  0  0  0  0
  9  4  1  0  0  0  0
 10  4  2  0  0  0  0
 11  9  1  0  0  0  0
 12 14  2  0  0  0  0
 13 12  1  0  0  0  0
 14 11  1  0  0  0  0
 15 13  1  0  0  0  0
 16  2  1  0  0  0  0
 17  2  1  0  0  0  0
 18  3  1  0  0  0  0
 19 20  1  0  0  0  0
 20 18  2  0  0  0  0
 21 23  2  0  0  0  0
 22 21  1  0  0  0  0
 23 14  1  0  0  0  0
 24 17  1  0  0  0  0
 25 16  1  0  0  0  0
 26 25  1  0  0  0  0
 27 24  1  0  0  0  0
  8 19  2  0  0  0  0
 26 27  1  0  0  0  0
 22 13  2  0  0  0  0
M  END
>  <Mol_ID> (5,114)
5114

>  <Formula> (5,114)
C20H23ClN2O3S

>  <MolWeight> (5,114)
406.92622

>  <COMPOUND_NAME> (5,114)
WAY-354574

>  <BAR_CODE_NO> (5,114)
2564770

$$$$
CL-380803
csChFnd80/06171916332D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.4756    0.3830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2658    0.3830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8514    1.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9756   -0.1653    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.6382    1.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7658   -0.1653    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4756    1.6761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5756    0.8726    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6514    0.1347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8135   -0.9032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2658    1.6761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3658    0.8830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4486    0.1381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2997   -0.2412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0997   -1.1274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6382    2.3243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0555   -1.8654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2624    2.9761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7762   -2.0896    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4003   -2.7413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1486   -2.7413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1865   -1.4757    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
  7 11  2  0  0  0  0
  8  9  1  0  0  0  0
 12 13  2  0  0  0  0
M  END
>  <Mol_ID> (5,115)
5115

>  <Formula> (5,115)
C14H15NO4S3

>  <MolWeight> (5,115)
357.4682

>  <COMPOUND_NAME> (5,115)
CL-380803

>  <BAR_CODE_NO> (5,115)
2569094

$$$$
CL-77474
csChFnd80/06171916332D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -1.9884   -1.9100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9884   -0.3697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3327   -2.6829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6609   -2.6829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6609    0.3809    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3327    0.3809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3327   -4.2288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6609   -4.2288    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6609    1.9268    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9884   -5.0018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6609    2.6829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6609    4.2288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9884    1.9100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9884    5.0018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3327    2.6829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3327    4.2288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  7 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
  8 10  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (5,116)
5116

>  <Formula> (5,116)
C13H13N3

>  <MolWeight> (5,116)
211.26242

>  <COMPOUND_NAME> (5,116)
CL-77474

>  <BAR_CODE_NO> (5,116)
2572541

$$$$
GI-560192
csChFnd80/06171916332D

 24 26  0  0  0  0  0  0  0  0999 V2000
    4.7328   -0.7340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0821   -1.5030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7328    0.8459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3696   -1.5170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0821   -3.0620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4313   -0.7340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3696    1.6359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0064   -0.7340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4453   -3.8520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7946   -1.5030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0064    0.8459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8085   -3.0620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7900    1.4052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6082    0.8319    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9854    1.3423    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4675    0.6991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7678    1.4891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4675   -0.8459    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7328    3.0480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1170    0.7480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0471    3.8520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4453    1.5380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4104    3.0970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6128    3.5094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  2  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 17 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
 23 24  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (5,117)
5117

>  <Formula> (5,117)
C20H16N2O2

>  <MolWeight> (5,117)
316.35324

>  <COMPOUND_NAME> (5,117)
GI-560192

>  <BAR_CODE_NO> (5,117)
2567311

$$$$
GI-570261
csChFnd80/06171916332D

 31 34  0  0  0  0  0  0  0  0999 V2000
   -0.1273    1.0689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1273    0.4516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6859    1.3896    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417    1.3792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6859    0.1309    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417    0.1551    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2411    1.0827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417    2.0068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2411    0.4378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4658   -0.4760    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7963    1.3896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0790    2.3171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0106    2.2551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7963    0.1309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4900   -1.1070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1031   -0.4656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0693   -0.4656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3549    1.0689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0411    2.9482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0451    2.8861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3549    0.4516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0652   -1.4277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0348   -1.4173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5141    3.2447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0549   -2.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0348   -2.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5037   -2.3794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5141   -2.9242    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0589   -3.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6037   -2.9380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0831   -3.8277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  2  0  0  0  0
 10 17  2  0  0  0  0
 11 18  2  0  0  0  0
 12 19  1  0  0  0  0
 13 20  2  0  0  0  0
 14 21  2  0  0  0  0
 15 22  2  0  0  0  0
 15 23  1  0  0  0  0
 19 24  2  0  0  0  0
 22 25  1  0  0  0  0
 23 26  2  0  0  0  0
 25 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
  7  9  1  0  0  0  0
 18 21  1  0  0  0  0
 20 24  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (5,118)
5118

>  <Formula> (5,118)
C22H19N5O3S

>  <MolWeight> (5,118)
433.48296

>  <COMPOUND_NAME> (5,118)
GI-570261

>  <BAR_CODE_NO> (5,118)
2569640

$$$$
WAY-344029
csChFnd80/06171916332D

 22 23  0  0  0  0  0  0  0  0999 V2000
    6.4417   -6.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1667   -6.5750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.8917   -7.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9000   -8.6375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0792   -9.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4292   -5.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7250   -6.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6042   -7.3917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1750   -7.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3625  -10.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0750   -9.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6292   -9.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8167  -10.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6375   -9.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3500   -8.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0125   -6.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7250   -7.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5292   -9.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8292  -11.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2917   -6.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0125   -7.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2917   -7.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  9  1  0  0  0  0
  4  3  1  0  0  0  0
  5 11  1  0  0  0  0
  6  1  2  0  0  0  0
  7  1  1  0  0  0  0
  8  3  2  0  0  0  0
  9  2  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12  4  1  0  0  0  0
 13  5  1  0  0  0  0
 14 12  2  0  0  0  0
 15 12  1  0  0  0  0
 16  7  1  0  0  0  0
 17  7  2  0  0  0  0
 18 13  1  0  0  0  0
 19 13  1  0  0  0  0
 20 16  2  0  0  0  0
 21 17  1  0  0  0  0
 22 21  2  0  0  0  0
 22 20  1  0  0  0  0
  5 10  2  0  0  0  0
M  END
>  <Mol_ID> (5,119)
5119

>  <Formula> (5,119)
C18H19NO2S

>  <MolWeight> (5,119)
313.41396

>  <COMPOUND_NAME> (5,119)
WAY-344029

>  <BAR_CODE_NO> (5,119)
2571395

$$$$
WAY-348941
csChFnd80/06171916332D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -0.6333    0.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4917   -0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333    2.2583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7500   -1.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458    1.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4125    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5292   -2.0292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292   -0.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4125    2.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6875   -0.8167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667   -2.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0417   -0.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750    0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5292   -2.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7500   -3.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1333    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1333    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8458    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8458    2.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 10  1  0  0  0  0
  3  5  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8 13  2  0  0  0  0
  9  6  2  0  0  0  0
 10  8  1  0  0  0  0
 11  4  2  0  0  0  0
 12  2  2  0  0  0  0
 13  1  1  0  0  0  0
 14  7  1  0  0  0  0
 15 11  1  0  0  0  0
 16  6  1  0  0  0  0
 17  9  1  0  0  0  0
 18 16  2  0  0  0  0
 19 18  1  0  0  0  0
  3  9  1  0  0  0  0
 17 19  2  0  0  0  0
 15 14  2  0  0  0  0
M  END
>  <Mol_ID> (5,120)
5120

>  <Formula> (5,120)
C14H11N3OS

>  <MolWeight> (5,120)
269.32164

>  <COMPOUND_NAME> (5,120)
WAY-348941

>  <BAR_CODE_NO> (5,120)
2567620

$$$$
WAY-355344
csChFnd80/06171916332D

 27 30  0  0  0  0  0  0  0  0999 V2000
    9.4625   -4.5792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2167   -4.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2125   -6.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2167   -5.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4375   -6.6792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.0667   -7.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4417   -6.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4042   -9.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5167   -5.6542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.1500   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1500   -6.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0375  -10.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1167   -5.6875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8792   -3.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3625   -7.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1042   -9.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3292  -10.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9875   -4.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2375   -2.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3667  -11.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0250   -2.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4417  -10.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0792  -11.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1667   -2.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9042   -4.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9917   -2.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  7  1  0  0  0  0
  7 11  1  0  0  0  0
  8  6  1  0  0  0  0
  9  4  1  0  0  0  0
 10  2  1  0  0  0  0
 11  9  1  0  0  0  0
 12  8  2  0  0  0  0
 13  7  2  0  0  0  0
 14  1  1  0  0  0  0
 15  6  1  0  0  0  0
 16  8  1  0  0  0  0
 17 15  1  0  0  0  0
 18 17  1  0  0  0  0
 19 10  1  0  0  0  0
 20 10  2  0  0  0  0
 21 12  1  0  0  0  0
 22 14  1  0  0  0  0
 23 16  2  0  0  0  0
 24 23  1  0  0  0  0
 25 20  1  0  0  0  0
 26 19  2  0  0  0  0
 27 25  2  0  0  0  0
  5  3  1  0  0  0  0
 26 27  1  0  0  0  0
 18 12  1  0  0  0  0
 24 21  2  0  0  0  0
M  END
>  <Mol_ID> (5,121)
5121

>  <Formula> (5,121)
C21H22N4OS

>  <MolWeight> (5,121)
378.49058

>  <COMPOUND_NAME> (5,121)
WAY-355344

>  <BAR_CODE_NO> (5,121)
2565548

$$$$
WAY-356265
csChFnd80/06171916332D

 31 34  0  0  0  0  0  0  0  0999 V2000
    1.8542   -0.4167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8542    0.4083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5875   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667    0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7125    1.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8875    1.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6500    0.7083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2375   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5250    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1250    0.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4750    0.7083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4750    2.1458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042   -1.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667   -2.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042   -3.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458   -2.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1125   -2.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7125   -0.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1250    2.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0500   -3.8125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2792    0.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4375    1.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9583    0.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042   -4.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9583    2.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9417    1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1042    2.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3625    1.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8542    1.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  2  0  0  0  0
  5  2  1  0  0  0  0
  6  7  1  0  0  0  0
  7 13  1  0  0  0  0
  8 10  2  0  0  0  0
  9  4  1  0  0  0  0
 10  3  1  0  0  0  0
 11  2  1  0  0  0  0
 12  6  2  0  0  0  0
 13  8  1  0  0  0  0
 14  7  2  0  0  0  0
 15  9  2  0  0  0  0
 16  9  1  0  0  0  0
 17 19  1  0  0  0  0
 18 15  1  0  0  0  0
 19 16  2  0  0  0  0
 20 12  1  0  0  0  0
 21  6  1  0  0  0  0
 22 17  1  0  0  0  0
 23 11  1  0  0  0  0
 24 11  2  0  0  0  0
 25 12  1  0  0  0  0
 26 22  1  0  0  0  0
 27 21  2  0  0  0  0
 28 23  2  0  0  0  0
 29 24  1  0  0  0  0
 30 27  1  0  0  0  0
 31 29  2  0  0  0  0
  5  3  2  0  0  0  0
 18 17  2  0  0  0  0
 28 31  1  0  0  0  0
 25 30  2  0  0  0  0
M  END
>  <Mol_ID> (5,122)
5122

>  <Formula> (5,122)
C24H20N4O3

>  <MolWeight> (5,122)
412.4406

>  <COMPOUND_NAME> (5,122)
WAY-356265

>  <BAR_CODE_NO> (5,122)
2567463

$$$$
WAY-356320
csChFnd80/06171916332D

 32 35  0  0  0  0  0  0  0  0999 V2000
    0.1542   -0.7875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6417   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4292   -1.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6417   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4292   -0.3750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708   -0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    2.6833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3875    0.6708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3875   -2.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6875    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792    3.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1750    3.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208    2.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9417    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208   -2.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9417   -2.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750    3.0208    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208   -3.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6875   -3.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6750   -3.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3208   -0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750   -4.5917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5292    4.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833    4.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1458   -0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1750   -5.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792    4.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667    5.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  1  1  0  0  0  0
  7 10  1  0  0  0  0
  8  4  1  0  0  0  0
  9  2  1  0  0  0  0
 10 16  1  0  0  0  0
 11  7  1  0  0  0  0
 12 11  2  0  0  0  0
 13 10  2  0  0  0  0
 14  6  1  0  0  0  0
 15  6  2  0  0  0  0
 16  8  1  0  0  0  0
 17  9  2  0  0  0  0
 18  9  1  0  0  0  0
 19 12  1  0  0  0  0
 20 21  1  0  0  0  0
 21 18  2  0  0  0  0
 22 17  1  0  0  0  0
 23 15  1  0  0  0  0
 24 14  2  0  0  0  0
 25 23  2  0  0  0  0
 26 20  1  0  0  0  0
 27 11  1  0  0  0  0
 28 12  1  0  0  0  0
 29 25  1  0  0  0  0
 30 26  1  0  0  0  0
 31 27  2  0  0  0  0
 32 31  1  0  0  0  0
  5  3  1  0  0  0  0
 25 24  1  0  0  0  0
 20 22  2  0  0  0  0
 32 28  2  0  0  0  0
M  END
>  <Mol_ID> (5,123)
5123

>  <Formula> (5,123)
C24H21ClN4O2S

>  <MolWeight> (5,123)
464.96714

>  <COMPOUND_NAME> (5,123)
WAY-356320

>  <BAR_CODE_NO> (5,123)
2566863

$$$$
WAY-356153
csChFnd80/06171916332D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -1.4843   -0.4323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1533   -0.0392    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8154   -0.0392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4843   -1.1909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8188    0.3367    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5326   -0.6944    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7636    0.6160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1429   -0.4323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8154   -1.5806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8188    1.1091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4878   -0.0392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1429   -1.1909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5191   -0.0392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4878    1.5022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1636    0.3367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1881   -0.4323    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5191    0.7298    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1636    1.1091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8536   -0.0392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5226   -0.4323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1915   -0.0392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5226   -1.1909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1915    0.7298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8571   -0.4323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8571    1.1091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5260   -0.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5260    0.7194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  8 12  2  0  0  0  0
  8 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  2  0  0  0  0
 14 18  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
 21 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  2  0  0  0  0
  9 12  1  0  0  0  0
 15 18  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (5,124)
5124

>  <Formula> (5,124)
C20H21NO5S

>  <MolWeight> (5,124)
387.44944

>  <COMPOUND_NAME> (5,124)
WAY-356153

>  <BAR_CODE_NO> (5,124)
2566477

$$$$
WAY-356516
csChFnd80/06171916332D

 29 32  0  0  0  0  0  0  0  0999 V2000
    0.0417   -0.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292   -1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3125   -1.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3125   -0.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2750    0.5625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2750   -2.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833   -0.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667    1.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167    2.5833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2375    2.1333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    1.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333   -2.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -2.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2375   -3.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7875   -3.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667   -3.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958   -4.6917    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.8667    3.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1958   -0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1958   -1.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167    3.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0625    3.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0208   -1.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0208   -0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958    4.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667    4.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542    4.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4333   -0.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  4  1  0  0  0  0
  7  2  1  0  0  0  0
  8  1  1  0  0  0  0
  9 12  1  0  0  0  0
 10  9  1  0  0  0  0
 11  9  2  0  0  0  0
 12  6  1  0  0  0  0
 13  7  2  0  0  0  0
 14  7  1  0  0  0  0
 15 17  1  0  0  0  0
 16 13  1  0  0  0  0
 17 14  2  0  0  0  0
 18 15  1  0  0  0  0
 19 10  1  0  0  0  0
 20  8  1  0  0  0  0
 21  8  2  0  0  0  0
 22 19  1  0  0  0  0
 23 19  1  0  0  0  0
 24 21  1  0  0  0  0
 25 20  2  0  0  0  0
 26 23  1  0  0  0  0
 27 22  1  0  0  0  0
 28 26  1  0  0  0  0
 29 24  2  0  0  0  0
  3  5  1  0  0  0  0
 25 29  1  0  0  0  0
 16 15  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (5,125)
5125

>  <Formula> (5,125)
C22H23ClN4OS

>  <MolWeight> (5,125)
426.96222

>  <COMPOUND_NAME> (5,125)
WAY-356516

>  <BAR_CODE_NO> (5,125)
2566383

$$$$
WAY-356686
csChFnd80/06171916332D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -1.3311   -0.3035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3070    0.2723    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3484    0.2620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3311   -1.4380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2898    0.8447    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7346    1.2482    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8829   -0.7070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6344   -0.3035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3484   -1.9967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3070   -2.0104    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.1691    0.1413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2898    1.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6344   -1.4380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6102    0.2723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2725    0.3930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1691    2.6827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5896   -0.2863    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6102    1.4102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7691    1.3930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2725    2.4378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5654    0.2723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5516   -0.2863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5516   -1.4242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5309    0.2723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5309   -1.9794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5068   -0.2863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5068   -1.4242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  2  0  0  0  0
  9 13  2  0  0  0  0
 19 20  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (5,126)
5126

>  <Formula> (5,126)
C20H23ClN2O3S

>  <MolWeight> (5,126)
406.92622

>  <COMPOUND_NAME> (5,126)
WAY-356686

>  <BAR_CODE_NO> (5,126)
2565848

$$$$
WAY-356814
csChFnd80/06171916332D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -1.9509    0.0445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5992   -0.3210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9509    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2992   -0.3210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5992   -1.0727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2509    0.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2992    1.1894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6509    0.0445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2509   -1.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8992   -0.3210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6509    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8992   -1.0727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0008    1.1790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6491    0.8100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0008    1.9273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3008    1.1790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6491    0.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9491    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3008   -0.3210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9491    0.0583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6008   -0.3106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6008   -1.0589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2491    0.0652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2491   -1.4348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9008   -0.3106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9008   -1.0589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  2  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  2  0  0  0  0
  8 11  1  0  0  0  0
 10 12  2  0  0  0  0
 19 20  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (5,127)
5127

>  <Formula> (5,127)
C23H22N2O

>  <MolWeight> (5,127)
342.43358

>  <COMPOUND_NAME> (5,127)
WAY-356814

>  <BAR_CODE_NO> (5,127)
2567956

$$$$
WAY-357641
csChFnd80/06171916332D

 33 36  0  0  0  0  0  0  0  0999 V2000
   -2.5583   -0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2708   -0.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2708    0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5583    0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9875   -0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9875    0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417   -0.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458    0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458   -0.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3000   -0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3042    1.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1542   -0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292   -0.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2708   -1.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3042    0.7625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2708    1.5875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1333   -0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417   -1.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3000    0.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0167    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8750   -0.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1542    0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0167   -0.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5875    0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1333    0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5875   -0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8750    0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7083   -0.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7083    0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5875    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4208    0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4208   -0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  2  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7 14  1  0  0  0  0
  8  4  1  0  0  0  0
  9  1  1  0  0  0  0
 10 12  1  0  0  0  0
 11 16  1  0  0  0  0
 12 18  1  0  0  0  0
 13  7  1  0  0  0  0
 14 24  1  0  0  0  0
 15  2  2  0  0  0  0
 16 25  1  0  0  0  0
 17  3  2  0  0  0  0
 18  9  2  0  0  0  0
 19  7  2  0  0  0  0
 20 10  2  0  0  0  0
 21 11  2  0  0  0  0
 22 13  2  0  0  0  0
 23 13  1  0  0  0  0
 24 10  1  0  0  0  0
 25 28  1  0  0  0  0
 26 18  1  0  0  0  0
 27 22  1  0  0  0  0
 28 23  2  0  0  0  0
 29  5  1  0  0  0  0
 30  6  1  0  0  0  0
 31 11  1  0  0  0  0
 32 30  2  0  0  0  0
 33 29  2  0  0  0  0
 26  8  2  0  0  0  0
  6  5  2  0  0  0  0
 32 33  1  0  0  0  0
 27 25  2  0  0  0  0
M  END
>  <Mol_ID> (5,128)
5128

>  <Formula> (5,128)
C25H18N2O6

>  <MolWeight> (5,128)
442.42022

>  <COMPOUND_NAME> (5,128)
WAY-357641

>  <BAR_CODE_NO> (5,128)
2567703

$$$$
WAY-357647
csChFnd80/06171916332D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -2.0250   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7458   -0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7458    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0250    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4583   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4583    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9750   -0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3125    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6875   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3125   -0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167   -0.6417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542   -0.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7458   -1.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7458    1.8333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5958   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4042   -0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9750   -1.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292    0.5958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5417   -0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5958    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1167   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8292   -0.6417    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1708   -0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1708    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6875    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4042    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1167    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8833    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8833   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  2  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7 13  1  0  0  0  0
  8  4  1  0  0  0  0
  9  7  1  0  0  0  0
 10  1  1  0  0  0  0
 11 12  1  0  0  0  0
 12 16  1  0  0  0  0
 13 20  1  0  0  0  0
 14  2  2  0  0  0  0
 15  3  2  0  0  0  0
 16 10  2  0  0  0  0
 17  9  1  0  0  0  0
 18  7  2  0  0  0  0
 19 11  2  0  0  0  0
 20 11  1  0  0  0  0
 21 16  1  0  0  0  0
 22 17  2  0  0  0  0
 23 22  1  0  0  0  0
 24  5  1  0  0  0  0
 25  6  1  0  0  0  0
 26  9  2  0  0  0  0
 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
 29 25  2  0  0  0  0
 30 24  2  0  0  0  0
  8 21  2  0  0  0  0
  5  6  2  0  0  0  0
 30 29  1  0  0  0  0
 28 22  1  0  0  0  0
M  END
>  <Mol_ID> (5,129)
5129

>  <Formula> (5,129)
C23H14FNO5

>  <MolWeight> (5,129)
403.3593632

>  <COMPOUND_NAME> (5,129)
WAY-357647

>  <BAR_CODE_NO> (5,129)
2568109

$$$$
WAY-357769
csChFnd80/06171916332D

 27 30  0  0  0  0  0  0  0  0999 V2000
    0.1917    0.1083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042    0.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8625    1.2583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4125    0.6458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083    1.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3375   -0.8167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0333    1.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208    0.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208   -0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0333    2.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8208    1.0833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4917   -1.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8208    2.4208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3083    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083    2.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042   -2.3292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208    2.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1542   -0.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3125   -1.7417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2083   -0.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458   -1.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6500   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4667   -2.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583   -1.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8208   -0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6458   -1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8  9  1  0  0  0  0
  9  6  2  0  0  0  0
 10  1  1  0  0  0  0
 11 18  1  0  0  0  0
 12  8  1  0  0  0  0
 13 19  1  0  0  0  0
 14 11  1  0  0  0  0
 15 12  1  0  0  0  0
 16  6  1  0  0  0  0
 17 13  2  0  0  0  0
 18 16  2  0  0  0  0
 19  7  1  0  0  0  0
 20 13  1  0  0  0  0
 21 10  1  0  0  0  0
 22 10  2  0  0  0  0
 23 20  1  0  0  0  0
 24 23  1  0  0  0  0
 25 22  1  0  0  0  0
 26 21  2  0  0  0  0
 27 25  2  0  0  0  0
  5  3  1  0  0  0  0
 26 27  1  0  0  0  0
  8 11  2  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (5,130)
5130

>  <Formula> (5,130)
C19H17N3O4S

>  <MolWeight> (5,130)
383.42098

>  <COMPOUND_NAME> (5,130)
WAY-357769

>  <BAR_CODE_NO> (5,130)
2565972

$$$$
WAY-357819
csChFnd80/06171916332D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.7833   -0.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6417   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3542   -0.6667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2125   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2125    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6417    0.5708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7875   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7875   -1.4917    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.9333   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9333    0.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5042   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6458   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7875    0.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6458    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5042    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  7  1  1  0  0  0  0
  8 12  1  0  0  0  0
  9  2  2  0  0  0  0
 10  4  2  0  0  0  0
 11  1  1  0  0  0  0
 12 11  1  0  0  0  0
 13 10  1  0  0  0  0
 14  5  1  0  0  0  0
 15  4  1  0  0  0  0
 16  8  1  0  0  0  0
 17 10  1  0  0  0  0
 18 14  2  0  0  0  0
 19 15  2  0  0  0  0
 20 16  2  0  0  0  0
 21 19  1  0  0  0  0
  8  5  2  0  0  0  0
 18 20  1  0  0  0  0
 21 17  2  0  0  0  0
M  END
>  <Mol_ID> (5,131)
5131

>  <Formula> (5,131)
C17H17ClN2O

>  <MolWeight> (5,131)
300.78268

>  <COMPOUND_NAME> (5,131)
WAY-357819

>  <BAR_CODE_NO> (5,131)
2566773

$$$$
WAY-357950-A
csChFnd80/06171916332D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -2.2500    0.7458    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.1875    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1958    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1875    0.7208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9125    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292    1.6000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7958    1.6833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2500    1.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042    1.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958    1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2500   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9333    1.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8875    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0000    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667   -0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9333   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2708    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1875    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0292   -0.8375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.2708   -0.6000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4208    0.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 11  2  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  1  0  0  0  0
  9  5  2  0  0  0  0
 10  6  1  0  0  0  0
 11 13  1  0  0  0  0
 12  3  1  0  0  0  0
 13 12  2  0  0  0  0
 14  5  1  0  0  0  0
 15  8  1  0  0  0  0
 16  9  1  0  0  0  0
 17 10  1  0  0  0  0
 18  1  1  0  0  0  0
 19 15  2  0  0  0  0
 20 14  2  0  0  0  0
 21  4  1  0  0  0  0
 22 20  1  0  0  0  0
 23 17  2  0  0  0  0
 24 19  1  0  0  0  0
 25 20  1  0  0  0  0
 26 13  1  0  0  0  0
 27 26  1  0  0  0  0
  9  7  1  0  0  0  0
 22 16  2  0  0  0  0
  8 10  2  0  0  0  0
 19 23  1  0  0  0  0
M  END
>  <Mol_ID> (5,132)
5132

>  <Formula> (5,132)
C21H19Cl2N2S2+

>  <MolWeight> (5,132)
434.42496

>  <COMPOUND_NAME> (5,132)
WAY-357950-A

>  <BAR_CODE_NO> (5,132)
2569086

$$$$
WAY-357980
csChFnd80/06171916332D

 29 32  0  0  0  0  0  0  0  0999 V2000
    0.3292    0.4708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -0.1792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458    0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042   -0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2000   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8500   -0.4667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958    0.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708   -0.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5500   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5208   -0.8542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2333    0.3208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8958   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7500    0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8333    1.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708    1.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4208    2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3458    1.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7208    2.4708    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.9875    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9375   -0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5708   -0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8833   -1.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2708   -0.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7792    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7000   -0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5625   -2.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1292   -0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2333   -1.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  2  0  0  0  0
  5  2  1  0  0  0  0
  6 11  1  0  0  0  0
  7  9  2  0  0  0  0
  8  4  1  0  0  0  0
  9  3  1  0  0  0  0
 10  2  1  0  0  0  0
 11  7  1  0  0  0  0
 12  6  2  0  0  0  0
 13  6  1  0  0  0  0
 14  8  1  0  0  0  0
 15  8  2  0  0  0  0
 16 17  2  0  0  0  0
 17 15  1  0  0  0  0
 18 14  2  0  0  0  0
 19 16  1  0  0  0  0
 20 10  1  0  0  0  0
 21 10  2  0  0  0  0
 22 13  1  0  0  0  0
 23 13  2  0  0  0  0
 24 22  2  0  0  0  0
 25 20  2  0  0  0  0
 26 21  1  0  0  0  0
 27 23  1  0  0  0  0
 28 26  2  0  0  0  0
 29 27  2  0  0  0  0
  3  5  2  0  0  0  0
 16 18  1  0  0  0  0
 25 28  1  0  0  0  0
 24 29  1  0  0  0  0
M  END
>  <Mol_ID> (5,133)
5133

>  <Formula> (5,133)
C23H17FN4O

>  <MolWeight> (5,133)
384.4056832

>  <COMPOUND_NAME> (5,133)
WAY-357980

>  <BAR_CODE_NO> (5,133)
2569126

$$$$
WAY-357996
csChFnd80/06171916332D

 17 18  0  0  0  0  0  0  0  0999 V2000
    1.2042   -0.1375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5958   -2.2792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292   -1.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042   -0.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3125   -1.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1500   -0.9167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.0333   -0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1042   -0.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042   -1.0375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042    0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3333   -2.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292   -2.9167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9875    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292    1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9875    2.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042    2.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  6  1  0  0  0  0
  4  1  1  0  0  0  0
  5  7  2  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  1  2  0  0  0  0
  9  1  2  0  0  0  0
 10  1  1  0  0  0  0
 11  2  2  0  0  0  0
 12  2  2  0  0  0  0
 13 10  1  0  0  0  0
 14 10  2  0  0  0  0
 15 14  1  0  0  0  0
 16 13  2  0  0  0  0
 17 15  2  0  0  0  0
 16 17  1  0  0  0  0
  5  2  1  0  0  0  0
M  END
>  <Mol_ID> (5,134)
5134

>  <Formula> (5,134)
C10H10O5S2

>  <MolWeight> (5,134)
274.3134

>  <COMPOUND_NAME> (5,134)
WAY-357996

>  <BAR_CODE_NO> (5,134)
2569142

$$$$
WAY-357997
csChFnd80/06171916332D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -1.1833   -0.8375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8625   -2.8167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1833   -2.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0208   -0.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5208   -2.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458   -1.5542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.2833   -1.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3458   -0.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833   -1.6792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3625   -3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4458   -3.4167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083    0.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4625    0.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4625    1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083    1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833    1.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833    2.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  6  1  0  0  0  0
  4  1  1  0  0  0  0
  5  7  2  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  1  1  0  0  0  0
  9  1  2  0  0  0  0
 10  1  2  0  0  0  0
 11  2  2  0  0  0  0
 12  2  2  0  0  0  0
 13  8  2  0  0  0  0
 14  8  1  0  0  0  0
 15 14  2  0  0  0  0
 16 13  1  0  0  0  0
 17 15  1  0  0  0  0
 18 17  1  0  0  0  0
 17 16  2  0  0  0  0
  5  2  1  0  0  0  0
M  END
>  <Mol_ID> (5,135)
5135

>  <Formula> (5,135)
C11H12O5S2

>  <MolWeight> (5,135)
288.33998

>  <COMPOUND_NAME> (5,135)
WAY-357997

>  <BAR_CODE_NO> (5,135)
2569143

$$$$
WAY-358024
csChFnd80/06171916332D

 21 23  0  0  0  0  0  0  0  0999 V2000
    7.7017    6.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7017    5.6355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0227    5.2475    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5361    6.7269    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3484    6.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0300    7.3235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3484    5.6355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3946    7.8328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6525    7.5418    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3469    5.2912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7916    7.6194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5110    8.6332    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9225    8.4003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6694    6.7851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9136    6.4941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6694    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4610    7.1101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5539    5.9702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.6355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3300    6.2758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  2  0  0  0  0
  5  1  1  0  0  0  0
  6  8  1  0  0  0  0
  7  5  2  0  0  0  0
  8  9  1  0  0  0  0
  9  4  1  0  0  0  0
 10  2  2  0  0  0  0
 11  6  2  0  0  0  0
 12  8  2  0  0  0  0
 13 11  1  0  0  0  0
 14  5  1  0  0  0  0
 15  6  1  0  0  0  0
 16  7  1  0  0  0  0
 17 11  1  0  0  0  0
 18 15  2  0  0  0  0
 19 14  2  0  0  0  0
 20 19  1  0  0  0  0
 21 18  1  0  0  0  0
  3  7  1  0  0  0  0
 20 16  2  0  0  0  0
 17 21  2  0  0  0  0
M  END
>  <Mol_ID> (5,136)
5136

>  <Formula> (5,136)
C15H11N3O3

>  <MolWeight> (5,136)
281.26614

>  <COMPOUND_NAME> (5,136)
WAY-358024

>  <BAR_CODE_NO> (5,136)
2569187

$$$$
WAY-358400-A
csChFnd80/06171916332D

 19 22  0  0  0  0  0  0  0  0999 V2000
   -0.7208    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5125    1.1458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5125   -1.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6500    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4500    0.0208    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -2.8333    0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8333   -0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3500   -1.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7167   -1.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7500    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3500    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6500   -2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0458    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0458   -1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4042   -2.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167   -3.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2708   -0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2708    0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7000   -3.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5 10  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  2  0  0  0  0
  9  8  1  0  0  0  0
 10 11  2  0  0  0  0
 11  4  1  0  0  0  0
 12  8  1  0  0  0  0
 13  6  1  0  0  0  0
 14  7  1  0  0  0  0
 15  9  1  0  0  0  0
 16 12  2  0  0  0  0
 17 14  2  0  0  0  0
 18 13  2  0  0  0  0
 19 16  1  0  0  0  0
  7  6  2  0  0  0  0
  5  9  2  0  0  0  0
 17 18  1  0  0  0  0
 19 15  2  0  0  0  0
M  END
>  <Mol_ID> (5,137)
5137

>  <Formula> (5,137)
C16H12N3+

>  <MolWeight> (5,137)
246.28658

>  <COMPOUND_NAME> (5,137)
WAY-358400-A

>  <BAR_CODE_NO> (5,137)
2569616

$$$$
WAY-358593
csChFnd80/06171916332D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.6558    1.0073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6558    1.0073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1661    0.1349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1661    1.8763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1558    1.8763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8442    0.1452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6558   -0.7134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6558    2.7452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8339    1.8556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6558    2.7452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1558    1.8556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3442   -0.7237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1558    3.6349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6454    0.9866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9235   -1.6237    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3235   -0.8341    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6558    0.9763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6649   -2.3134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5339   -1.8237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6442   -3.3134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3925   -2.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4925   -3.8341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3822   -3.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  2  0  0  0  0
 12 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
  8 10  2  0  0  0  0
 18 19  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (5,138)
5138

>  <Formula> (5,138)
C18H17NO3S

>  <MolWeight> (5,138)
327.39748

>  <COMPOUND_NAME> (5,138)
WAY-358593

>  <BAR_CODE_NO> (5,138)
2569772

$$$$
WAY-358667-A
csChFnd80/06171916332D

 16 18  0  0  0  0  0  0  0  0999 V2000
   -0.4479   -0.2864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3625   -0.5450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7168    0.5239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9479   -0.9761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3625   -1.3968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1038   -0.1243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5479    0.7032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1479    1.1653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4479   -1.6657    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1038   -1.8243    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8349   -0.5450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1038    0.7343    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8065    1.5136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4065    1.9757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8349   -1.3968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375    2.1446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  2  0  0  0  0
 10 15  2  0  0  0  0
 13 16  2  0  0  0  0
  5  9  1  0  0  0  0
 11 15  1  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <Mol_ID> (5,139)
5139

>  <Formula> (5,139)
C12H8N2S2

>  <MolWeight> (5,139)
244.33532

>  <COMPOUND_NAME> (5,139)
WAY-358667-A

>  <BAR_CODE_NO> (5,139)
2569849

$$$$
WAY-358754
csChFnd80/06171916332D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -2.8458    0.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2000    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1000   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0625   -0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6208   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7625    0.7833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7000    1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208    0.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458    1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458    1.0833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6208   -1.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5833    1.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208    2.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4000    3.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7625    2.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8208    2.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7208   -0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6458    3.6708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7625   -1.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -1.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2000   -1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0625   -1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2833    3.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  8  1  0  0  0  0
  8  6  1  0  0  0  0
  9  7  1  0  0  0  0
 10  7  2  0  0  0  0
 11  5  2  0  0  0  0
 12  9  2  0  0  0  0
 13  9  1  0  0  0  0
 14 15  1  0  0  0  0
 15 13  2  0  0  0  0
 16 12  1  0  0  0  0
 17  3  2  0  0  0  0
 18  4  2  0  0  0  0
 19 14  1  0  0  0  0
 20 17  1  0  0  0  0
 21 18  1  0  0  0  0
 22 20  2  0  0  0  0
 23 11  1  0  0  0  0
 24 19  1  0  0  0  0
  5  4  1  0  0  0  0
 22 11  1  0  0  0  0
 23 21  2  0  0  0  0
 16 14  2  0  0  0  0
M  END
>  <Mol_ID> (5,140)
5140

>  <Formula> (5,140)
C19H15N3O2

>  <MolWeight> (5,140)
317.3413

>  <COMPOUND_NAME> (5,140)
WAY-358754

>  <BAR_CODE_NO> (5,140)
2569956

$$$$
WAY-358798
csChFnd80/06171916332D

 13 14  0  0  0  0  0  0  0  0999 V2000
    6.4494    6.4502    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9522    5.8102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1650    6.0864    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1926    6.8921    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2643    6.4317    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9890    7.1223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6786    7.1361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5073    7.1131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9722    6.4364    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1962    5.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.0045    7.7760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7641    6.6711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8009    7.4998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  6  2  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  5  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  2  1  0  0  0  0
 11  8  2  0  0  0  0
 12  9  1  0  0  0  0
 13 11  1  0  0  0  0
  4  3  1  0  0  0  0
 12 13  2  0  0  0  0
M  END
>  <Mol_ID> (5,141)
5141

>  <Formula> (5,141)
C7H6N4OS

>  <MolWeight> (5,141)
194.21374

>  <COMPOUND_NAME> (5,141)
WAY-358798

>  <BAR_CODE_NO> (5,141)
2569992

$$$$
WAY-358871
csChFnd80/06171916332D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -0.7969    0.1645    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3039    0.4765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3199    0.5605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1389    1.0855    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2561    0.4285    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5359    1.1065    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4241   -0.1325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9009    0.2635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0181   -0.2645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0311   -0.5765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3779    0.6295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1771   -0.8405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4111    0.1645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0119   -0.3395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1641   -0.5255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7561   -0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9871    0.0325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7461   -0.6695    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5849   -0.5765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  1  3  2  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  3  1  0  0  0  0
  7  5  1  0  0  0  0
  8  2  1  0  0  0  0
  9  7  1  0  0  0  0
 10  7  2  0  0  0  0
 11  8  2  0  0  0  0
  9 12  2  0  0  0  0
 13  9  1  0  0  0  0
 14  8  1  0  0  0  0
 15 17  1  0  0  0  0
 16 12  1  0  0  0  0
 17 13  2  0  0  0  0
 18 15  1  0  0  0  0
 19 14  1  0  0  0  0
  6  4  1  0  0  0  0
 16 15  2  0  0  0  0
M  END
>  <Mol_ID> (5,142)
5142

>  <Formula> (5,142)
C11H9FN4O3

>  <MolWeight> (5,142)
264.2125632

>  <COMPOUND_NAME> (5,142)
WAY-358871

>  <BAR_CODE_NO> (5,142)
2570076

$$$$
WAY-359288-A
csChFnd80/06171916332D

 21 22  0  0  0  0  0  0  0  0999 V2000
    8.9875   -2.5375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2667   -2.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7000   -2.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5417   -2.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8417   -0.8667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6917   -1.2917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.2625   -1.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4125   -2.5292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2667   -0.0292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8292   -2.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5417   -3.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1167   -3.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8292   -3.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1167   -2.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4000   -3.7875    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.1292   -2.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1167   -1.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8375   -0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5625   -1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5542    0.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2625   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5 17  1  0  0  0  0
  6  3  2  0  0  0  0
  7  2  2  0  0  0  0
  8  3  1  0  0  0  0
  9 21  1  0  0  0  0
 10  4  2  0  0  0  0
 11  4  1  0  0  0  0
 12 13  1  0  0  0  0
 13 11  2  0  0  0  0
 14 10  1  0  0  0  0
 15 12  1  0  0  0  0
 16  8  1  0  0  0  0
 17 16  1  0  0  0  0
 18  5  1  0  0  0  0
 19  5  1  0  0  0  0
 20 18  1  0  0  0  0
 21 19  1  0  0  0  0
 14 12  2  0  0  0  0
 20  9  1  0  0  0  0
M  END
>  <Mol_ID> (5,143)
5143

>  <Formula> (5,143)
C14H18FN3O2S

>  <MolWeight> (5,143)
311.3750232

>  <COMPOUND_NAME> (5,143)
WAY-359288-A

>  <BAR_CODE_NO> (5,143)
2570529

$$$$
WAY-359061
csChFnd80/06171916332D

 20 21  0  0  0  0  0  0  0  0999 V2000
    5.4542  -10.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8042   -9.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1042   -9.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6292  -10.1042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1542  -10.1042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.8792  -11.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6292  -11.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0042  -10.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5042   -9.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7542  -10.1042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8042   -8.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5042   -8.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1042   -8.9792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0042  -12.0500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.5042  -12.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7542  -12.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8792  -12.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5042  -13.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3792  -12.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7542  -13.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4 10  1  0  0  0  0
  5  2  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  4  2  0  0  0  0
  9  5  1  0  0  0  0
 10  3  1  0  0  0  0
 11  2  2  0  0  0  0
 12 11  1  0  0  0  0
 13  3  2  0  0  0  0
 14  7  1  0  0  0  0
 15  6  1  0  0  0  0
 16 15  2  0  0  0  0
 17 15  1  0  0  0  0
 18 17  2  0  0  0  0
 19 16  1  0  0  0  0
 20 18  1  0  0  0  0
 12  9  2  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (5,144)
5144

>  <Formula> (5,144)
C15H13ClN2OS

>  <MolWeight> (5,144)
304.79452

>  <COMPOUND_NAME> (5,144)
WAY-359061

>  <BAR_CODE_NO> (5,144)
2570277

$$$$
WAY-359176
csChFnd80/06171916332D

 22 25  0  0  0  0  0  0  0  0999 V2000
   -0.9907    0.9563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0389    1.5184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1803   -0.1954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1543    1.3908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8596    0.6942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3320    2.6390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2595   -0.9403    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3320   -0.3472    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0784    0.6701    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3543    2.5701    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9803    1.0253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4527    2.9597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8474   -0.5161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2734    2.1390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5681   -1.4368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7198   -1.2679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1163   -2.5541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4543   -2.2196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1336   -0.2747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8370   -3.5023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0198   -3.3127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4163    0.0046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  2  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  2  0  0  0  0
 18 21  2  0  0  0  0
 19 22  1  0  0  0  0
  5  8  1  0  0  0  0
  9 13  1  0  0  0  0
 12 14  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (5,145)
5145

>  <Formula> (5,145)
C17H15NO3S

>  <MolWeight> (5,145)
313.3709

>  <COMPOUND_NAME> (5,145)
WAY-359176

>  <BAR_CODE_NO> (5,145)
2570401

$$$$
WAY-359374-A
csChFnd80/06171916332D

 31 33  0  0  0  0  0  0  0  0999 V2000
    5.6792   -7.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6792   -6.2250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9667   -7.4917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0875   -2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8042   -2.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6750   -4.5750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9792   -8.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3917   -7.4667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.5167   -2.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0917   -1.2792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.9542   -5.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3917   -5.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7042   -8.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5042   -1.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3750   -2.5042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9542   -4.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3875   -4.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3792   -3.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4125   -8.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7917   -0.8625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6667   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2750   -8.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2375   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2125   -0.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7250   -9.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7792   -0.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1375   -8.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2875   -9.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9417   -2.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0167   -9.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9292   -1.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4 15  1  0  0  0  0
  5  4  1  0  0  0  0
  6 17  1  0  0  0  0
  7  3  1  0  0  0  0
  8  1  2  0  0  0  0
  9  5  1  0  0  0  0
 10  4  2  0  0  0  0
 11  2  1  0  0  0  0
 12  2  1  0  0  0  0
 13  7  2  0  0  0  0
 14  9  2  0  0  0  0
 15 18  1  0  0  0  0
 16 11  1  0  0  0  0
 17 12  1  0  0  0  0
 18 21  1  0  0  0  0
 19 13  1  0  0  0  0
 20 14  1  0  0  0  0
 21  6  1  0  0  0  0
 22  7  1  0  0  0  0
 23  9  1  0  0  0  0
 24 14  1  0  0  0  0
 25 13  1  0  0  0  0
 26 20  1  0  0  0  0
 27 19  1  0  0  0  0
 28 22  2  0  0  0  0
 29 23  2  0  0  0  0
 30 28  1  0  0  0  0
 31 29  1  0  0  0  0
 16  6  1  0  0  0  0
 25 30  2  0  0  0  0
 24 31  2  0  0  0  0
M  END
>  <Mol_ID> (5,146)
5146

>  <Formula> (5,146)
C22H29N5O2S2

>  <MolWeight> (5,146)
459.62796

>  <COMPOUND_NAME> (5,146)
WAY-359374-A

>  <BAR_CODE_NO> (5,146)
2570624

$$$$
WAY-359375-A
csChFnd80/06171916332D

 31 33  0  0  0  0  0  0  0  0999 V2000
   -1.0517   -1.9687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0517   -1.1395    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3566    2.9855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7684   -2.3937    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0559    0.5105    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3267   -2.3812    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0733    2.5813    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3483    3.8105    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7767   -0.7187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3392   -0.7062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3559    2.5813    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7642   -3.2312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3434    0.1188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7767    0.1063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7858    2.9938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2066    3.8188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7517   -4.8895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4767   -3.6520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0434   -3.6395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7858    3.8105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4983    2.5855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3517    1.7563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4941    4.2230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0392   -4.4687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4684   -4.4812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2108    2.9980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0642    1.3355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9108    4.2313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7434   -5.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9066    5.0563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0267   -6.1187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3 11  1  0  0  0  0
  4  1  1  0  0  0  0
  5 13  1  0  0  0  0
  6  1  2  0  0  0  0
  7  3  1  0  0  0  0
  8  3  2  0  0  0  0
  9  2  1  0  0  0  0
 10  2  1  0  0  0  0
 11 22  1  0  0  0  0
 12  4  1  0  0  0  0
 13 10  1  0  0  0  0
 14  9  1  0  0  0  0
 15  7  1  0  0  0  0
 16 26  1  0  0  0  0
 17 24  2  0  0  0  0
 18 12  1  0  0  0  0
 19 12  2  0  0  0  0
 20 15  2  0  0  0  0
 21 15  1  0  0  0  0
 22 27  1  0  0  0  0
 23 20  1  0  0  0  0
 24 19  1  0  0  0  0
 25 18  2  0  0  0  0
 26 21  2  0  0  0  0
 27  5  1  0  0  0  0
 28 16  1  0  0  0  0
 29 17  1  0  0  0  0
 30 28  1  0  0  0  0
 31 29  1  0  0  0  0
  5 14  1  0  0  0  0
 17 25  1  0  0  0  0
 16 23  2  0  0  0  0
M  END
>  <Mol_ID> (5,147)
5147

>  <Formula> (5,147)
C22H29N5O2S2

>  <MolWeight> (5,147)
459.62796

>  <COMPOUND_NAME> (5,147)
WAY-359375-A

>  <BAR_CODE_NO> (5,147)
2570625

$$$$
WAY-359440
csChFnd80/06171916332D

 23 25  0  0  0  0  0  0  0  0999 V2000
    9.6667   -1.9375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0042   -2.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2917   -3.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3542   -2.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1292   -3.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8042   -2.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6042   -2.8125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6042   -1.7875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2042   -2.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4042   -3.9667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2042   -3.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8125   -4.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6250   -5.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0167   -5.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0167   -4.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4250   -4.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4167   -5.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0292   -6.2667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1667   -2.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7042   -3.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2292   -6.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7500   -2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5167   -3.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  7  1  0  0  0  0
  7  9  1  0  0  0  0
  8  6  2  0  0  0  0
  9  2  1  0  0  0  0
 10 11  1  0  0  0  0
 11  6  1  0  0  0  0
 12 10  1  0  0  0  0
 13 16  2  0  0  0  0
 14 12  1  0  0  0  0
 15 12  2  0  0  0  0
 16 15  1  0  0  0  0
 17 14  2  0  0  0  0
 18 13  1  0  0  0  0
 19  4  1  0  0  0  0
 20  5  1  0  0  0  0
 21 18  1  0  0  0  0
 22 19  2  0  0  0  0
 23 22  1  0  0  0  0
  5  3  1  0  0  0  0
 23 20  2  0  0  0  0
 17 13  1  0  0  0  0
M  END
>  <Mol_ID> (5,148)
5148

>  <Formula> (5,148)
C17H17N3O3

>  <MolWeight> (5,148)
311.33518

>  <COMPOUND_NAME> (5,148)
WAY-359440

>  <BAR_CODE_NO> (5,148)
2570695

$$$$
WAY-359447
csChFnd80/06171916332D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -3.6554   -0.6555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0304   -0.3221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0304    0.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6554    0.7612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4471    0.7612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8221    0.3862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8221   -0.3221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1971   -0.6555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5721   -0.3221    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5721    0.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1971    0.7612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0112   -0.6555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6362   -0.3221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2612   -0.6555    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6362    0.3862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8446   -0.3221    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4696   -0.6555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0946   -0.3221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7196   -0.6555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3029   -0.3221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3029    0.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7196    0.7612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0946    0.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4696    0.7612    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2804    0.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2804   -0.3221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 25 26  2  0  0  0  0
  1 26  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4 25  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  6 11  1  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 18 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (5,149)
5149

>  <Formula> (5,149)
C20H24N4O2

>  <MolWeight> (5,149)
352.43016

>  <COMPOUND_NAME> (5,149)
WAY-359447

>  <BAR_CODE_NO> (5,149)
2570720

$$$$
WAY-359461
csChFnd80/06171916332D

 27 29  0  0  0  0  0  0  0  0999 V2000
    8.3125   -5.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5875   -6.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4875   -4.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000   -3.7417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4042   -2.5292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0792   -6.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6917   -5.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3167   -6.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7417   -4.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9792   -3.6542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9625   -1.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6042   -3.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1542   -2.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5542   -3.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1042   -3.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5417   -6.0917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2167   -2.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3542   -7.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3542   -6.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8292   -7.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7750   -1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9167   -2.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8667   -8.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6000   -8.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1667   -2.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0292   -1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7250   -2.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  9  1  0  0  0  0
  5 15  1  0  0  0  0
  6  1  2  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  3  1  0  0  0  0
 10  3  2  0  0  0  0
 11  5  1  0  0  0  0
 12  4  1  0  0  0  0
 13 12  1  0  0  0  0
 14  4  1  0  0  0  0
 15 14  1  0  0  0  0
 16  8  1  0  0  0  0
 17 11  1  0  0  0  0
 18  2  2  0  0  0  0
 19  6  1  0  0  0  0
 20  8  2  0  0  0  0
 21 17  1  0  0  0  0
 22 17  2  0  0  0  0
 23 18  1  0  0  0  0
 24 23  2  0  0  0  0
 25 22  1  0  0  0  0
 26 21  2  0  0  0  0
 27 25  2  0  0  0  0
 24 20  1  0  0  0  0
 13  5  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (5,150)
5150

>  <Formula> (5,150)
C21H26N4O2

>  <MolWeight> (5,150)
366.45674

>  <COMPOUND_NAME> (5,150)
WAY-359461

>  <BAR_CODE_NO> (5,150)
2570712

$$$$
WAY-359473
csChFnd80/06171916332D

 18 21  0  0  0  0  0  0  0  0999 V2000
   -0.6458    1.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6458    0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000    1.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208    0.4125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4000    0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000    1.8333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000    0.3125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375    1.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4458    1.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8833    0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6458    2.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375    2.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083    1.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375    2.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6458    2.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000    2.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  2  0  0  0  0
  7  3  1  0  0  0  0
  8  2  1  0  0  0  0
  9  3  2  0  0  0  0
 10  9  1  0  0  0  0
 11  5  1  0  0  0  0
 12  6  1  0  0  0  0
 13  7  1  0  0  0  0
 14  7  1  0  0  0  0
 15 11  1  0  0  0  0
 16 14  1  0  0  0  0
 17 13  1  0  0  0  0
 18 16  1  0  0  0  0
  6  4  1  0  0  0  0
 12 15  1  0  0  0  0
  8 10  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (5,151)
5151

>  <Formula> (5,151)
C14H17N3S

>  <MolWeight> (5,151)
259.36988

>  <COMPOUND_NAME> (5,151)
WAY-359473

>  <BAR_CODE_NO> (5,151)
2570728

$$$$
WAY-359484
csChFnd80/06171916332D

 23 25  0  0  0  0  0  0  0  0999 V2000
    5.4792   -3.4417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7792   -2.6917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8292   -3.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5667   -2.2917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4792   -2.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1292   -3.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7792   -3.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1292   -2.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8417   -2.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4667   -3.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1792   -3.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8292   -4.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4667   -2.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1792   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5292   -3.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5292   -4.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8417   -4.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8792   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5917   -4.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4667   -4.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8417   -5.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9667   -4.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5875   -5.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  5  1  0  0  0  0
  9 13  1  0  0  0  0
 10  9  2  0  0  0  0
 11  3  1  0  0  0  0
 12  3  2  0  0  0  0
 13  4  2  0  0  0  0
 14 12  1  0  0  0  0
 15 11  2  0  0  0  0
 16 14  2  0  0  0  0
 17 10  1  0  0  0  0
 18 16  1  0  0  0  0
 19 17  1  0  0  0  0
 20 17  2  0  0  0  0
 21 20  1  0  0  0  0
 22 19  2  0  0  0  0
 23 21  2  0  0  0  0
  2  8  1  0  0  0  0
 15 16  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (5,152)
5152

>  <Formula> (5,152)
C20H23N3

>  <MolWeight> (5,152)
305.41672

>  <COMPOUND_NAME> (5,152)
WAY-359484

>  <BAR_CODE_NO> (5,152)
2570738

$$$$
WAY-359820
csChFnd80/06171916332D

 29 32  0  0  0  0  0  0  0  0999 V2000
    3.7250   -6.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8917   -8.3417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7167   -8.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1292   -7.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1417   -6.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1250   -9.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9000   -6.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4792   -7.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7250   -4.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9417   -9.1542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7292   -5.4792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1292   -3.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7792   -9.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9667   -6.1917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1125   -9.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3917  -10.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9042   -4.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1375   -4.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7042   -2.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1125   -1.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4792   -6.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6417   -7.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6917   -1.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9292   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542   -6.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2292   -6.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1000   -0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3417   -1.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9250   -0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  8  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  2  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9 18  1  0  0  0  0
 10  6  1  0  0  0  0
 11  5  1  0  0  0  0
 12  9  1  0  0  0  0
 13  6  2  0  0  0  0
 14  5  2  0  0  0  0
 15 10  1  0  0  0  0
 16 13  1  0  0  0  0
 17  9  2  0  0  0  0
 18 11  1  0  0  0  0
 19 12  1  0  0  0  0
 20 19  1  0  0  0  0
 21  7  2  0  0  0  0
 22  8  2  0  0  0  0
 23 20  1  0  0  0  0
 24 20  2  0  0  0  0
 25 21  1  0  0  0  0
 26 25  2  0  0  0  0
 27 23  2  0  0  0  0
 28 24  1  0  0  0  0
 29 28  2  0  0  0  0
  3  2  2  0  0  0  0
 22 26  1  0  0  0  0
 16 15  2  0  0  0  0
 27 29  1  0  0  0  0
M  END
>  <Mol_ID> (5,153)
5153

>  <Formula> (5,153)
C23H18N2O4

>  <MolWeight> (5,153)
386.40002

>  <COMPOUND_NAME> (5,153)
WAY-359820

>  <BAR_CODE_NO> (5,153)
2570600

$$$$
WAY-380064-A
csChFnd80/06171916332D

 23 25  0  0  0  0  0  0  0  0999 V2000
    4.7042   -2.5292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1375   -2.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4292   -2.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1375   -1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875   -2.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7042   -1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4292   -1.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2667   -2.5292    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.0208   -1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8375   -2.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000   -2.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7500   -1.2875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000   -1.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208   -2.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000   -1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000   -2.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2542   -1.7042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5500   -2.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8500   -2.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167   -2.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8500   -1.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5667   -2.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5667   -1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  7  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  5  1  0  0  0  0
  9 14  1  0  0  0  0
 10 18  1  0  0  0  0
 11 20  1  0  0  0  0
 12  9  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 11  2  0  0  0  0
 16 11  1  0  0  0  0
 17  8  1  0  0  0  0
 18  8  1  0  0  0  0
 19  2  1  0  0  0  0
 20 10  1  0  0  0  0
 21  4  1  0  0  0  0
 22 19  2  0  0  0  0
 23 21  2  0  0  0  0
  4  2  2  0  0  0  0
 22 23  1  0  0  0  0
 13  9  2  0  0  0  0
M  END
>  <Mol_ID> (5,154)
5154

>  <Formula> (5,154)
C19H22ClNO2

>  <MolWeight> (5,154)
331.83648

>  <COMPOUND_NAME> (5,154)
WAY-380064-A

>  <BAR_CODE_NO> (5,154)
2571345

$$$$
WAY-380240
csChFnd80/06171916332D

 23 26  0  0  0  0  0  0  0  0999 V2000
    5.1417   -4.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8542   -4.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7375   -4.8792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9250   -4.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7167   -3.7375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2125   -4.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3542   -5.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9875   -4.4917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3125   -4.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1917   -3.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0542   -4.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0417   -3.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5417   -3.0417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0125   -5.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2292   -6.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5542   -5.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7750   -6.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4292   -6.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6625   -7.2792    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.4542   -5.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4292   -3.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8292   -4.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8167   -3.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  6  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  2  0  0  0  0
  7  4  1  0  0  0  0
  8  9  1  0  0  0  0
  9  4  2  0  0  0  0
 10  2  1  0  0  0  0
 11  3  1  0  0  0  0
 12  5  1  0  0  0  0
 13 10  3  0  0  0  0
 14  7  1  0  0  0  0
 15  7  2  0  0  0  0
 16 14  2  0  0  0  0
 17 15  1  0  0  0  0
 18 17  2  0  0  0  0
 19 17  1  0  0  0  0
 20 11  1  0  0  0  0
 21 12  1  0  0  0  0
 22 20  2  0  0  0  0
 23 21  2  0  0  0  0
 12 11  2  0  0  0  0
 23 22  1  0  0  0  0
 14  8  1  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (5,155)
5155

>  <Formula> (5,155)
C18H11BrN4

>  <MolWeight> (5,155)
363.21074

>  <COMPOUND_NAME> (5,155)
WAY-380240

>  <BAR_CODE_NO> (5,155)
2571499

$$$$
WAY-381244
csChFnd80/06171916332D

 33 36  0  0  0  0  0  0  0  0999 V2000
   -2.5833   -0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2958   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2958    0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5833    0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0083   -0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0083    0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2792    0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4167   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8625    0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5667    0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8625   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792   -0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333   -0.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1375   -0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7042   -0.3875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2958   -1.6250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2958    1.6750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1500   -0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4167   -1.6250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792    0.4375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5667   -0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8500    0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1375    0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8500   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9917    1.2625    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8667    1.5708    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.6917    0.1375    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1500    0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7208   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7208    0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4375    0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4375   -0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  2  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7 10  1  0  0  0  0
  8 15  1  0  0  0  0
  9  4  1  0  0  0  0
 10 21  2  0  0  0  0
 11  1  1  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  0  0  0  0
 14  8  1  0  0  0  0
 15 28  1  0  0  0  0
 16  2  2  0  0  0  0
 17  3  2  0  0  0  0
 18 11  2  0  0  0  0
 19  8  2  0  0  0  0
 20 12  2  0  0  0  0
 21 24  1  0  0  0  0
 22 23  2  0  0  0  0
 23 14  1  0  0  0  0
 24 14  2  0  0  0  0
 25  7  1  0  0  0  0
 26  7  1  0  0  0  0
 27  7  1  0  0  0  0
 28 12  1  0  0  0  0
 29 18  1  0  0  0  0
 30  5  1  0  0  0  0
 31  6  1  0  0  0  0
 32 31  2  0  0  0  0
 33 30  2  0  0  0  0
 29  9  2  0  0  0  0
  6  5  2  0  0  0  0
 32 33  1  0  0  0  0
 10 22  1  0  0  0  0
M  END
>  <Mol_ID> (5,156)
5156

>  <Formula> (5,156)
C24H14F3NO5

>  <MolWeight> (5,156)
453.3668696

>  <COMPOUND_NAME> (5,156)
WAY-381244

>  <BAR_CODE_NO> (5,156)
2568792

$$$$
WAY-381401
csChFnd80/06171916332D

 23 25  0  0  0  0  0  0  0  0999 V2000
    6.8542   -6.4667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0167   -6.4667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2667   -7.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0917   -7.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6042   -7.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000   -5.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5042   -6.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5042   -7.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7375   -7.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3292   -6.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3292   -7.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5625   -7.1792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8542   -7.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7875   -7.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0167   -5.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7792   -5.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0292   -7.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5917   -4.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3542   -5.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3667   -7.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6125   -8.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7667   -4.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7917   -8.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8  4  2  0  0  0  0
  9 11  2  0  0  0  0
 10  7  2  0  0  0  0
 11  8  1  0  0  0  0
 12  9  1  0  0  0  0
 13  3  1  0  0  0  0
 14  5  2  0  0  0  0
 15  6  2  0  0  0  0
 16  6  1  0  0  0  0
 17  5  1  0  0  0  0
 18 15  1  0  0  0  0
 19 16  2  0  0  0  0
 20 14  1  0  0  0  0
 21 17  2  0  0  0  0
 22 19  1  0  0  0  0
 23 21  1  0  0  0  0
 10  9  1  0  0  0  0
 18 22  2  0  0  0  0
 23 20  2  0  0  0  0
M  END
>  <Mol_ID> (5,157)
5157

>  <Formula> (5,157)
C20H18N2O

>  <MolWeight> (5,157)
302.36972

>  <COMPOUND_NAME> (5,157)
WAY-381401

>  <BAR_CODE_NO> (5,157)
2571866

$$$$
WAY-381602
csChFnd80/06171916332D

 31 33  0  0  0  0  0  0  0  0999 V2000
    5.3292   -3.8042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0417   -3.7667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7750   -3.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3417   -3.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6292   -3.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0500   -3.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2042   -3.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4792   -3.7917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9167   -3.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9250   -4.3792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7042   -4.4375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7917   -2.5417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3833   -3.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7667   -3.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2125   -2.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3625   -2.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6292   -2.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4792   -3.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9250   -2.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958   -3.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958   -4.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1875   -3.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208   -4.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8208   -3.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9125   -3.3917    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.5583   -4.9375    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.4667   -5.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7625   -4.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4917   -2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1917   -4.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  9  1  0  0  0  0
  8  7  1  0  0  0  0
  9  5  2  0  0  0  0
 10  1  2  0  0  0  0
 11  1  2  0  0  0  0
 12  3  2  0  0  0  0
 13  4  1  0  0  0  0
 14  6  1  0  0  0  0
 15 19  1  0  0  0  0
 16  4  2  0  0  0  0
 17  5  1  0  0  0  0
 18 14  1  0  0  0  0
 19 17  2  0  0  0  0
 20 13  2  0  0  0  0
 21 13  1  0  0  0  0
 22 18  2  0  0  0  0
 23 24  1  0  0  0  0
 24 21  2  0  0  0  0
 25 20  1  0  0  0  0
 26 22  1  0  0  0  0
 27 23  1  0  0  0  0
 28 29  1  0  0  0  0
 29 14  2  0  0  0  0
 30 15  1  0  0  0  0
 31 28  2  0  0  0  0
  7 15  2  0  0  0  0
 22 31  1  0  0  0  0
 25 23  2  0  0  0  0
M  END
>  <Mol_ID> (5,158)
5158

>  <Formula> (5,158)
C21H17ClFN3O3S2

>  <MolWeight> (5,158)
477.9593832

>  <COMPOUND_NAME> (5,158)
WAY-381602

>  <BAR_CODE_NO> (5,158)
2572023

$$$$
WAY-381612
csChFnd80/06171916332D

 32 34  0  0  0  0  0  0  0  0999 V2000
    6.3542   -4.6917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4292   -0.9042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4417   -1.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1292   -0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0667   -4.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6417   -5.1292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7500   -3.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7292   -2.1750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0417   -3.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7875   -5.4042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9250   -3.9875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1667   -2.1417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.1167    0.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4750   -3.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8542   -0.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7917   -4.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4917   -4.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9167   -4.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8292    0.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3917    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0875    2.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1917   -2.9667    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4667   -3.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3750    1.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8125    1.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0667    2.8333    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000   -3.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2167   -5.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4875   -4.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1667   -3.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7375   -3.5542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0375   -3.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  9  1  0  0  0  0
  8  7  1  0  0  0  0
  9  5  2  0  0  0  0
 10  1  2  0  0  0  0
 11  1  2  0  0  0  0
 12  3  2  0  0  0  0
 13  4  1  0  0  0  0
 14 17  1  0  0  0  0
 15  4  2  0  0  0  0
 16  5  1  0  0  0  0
 17 16  2  0  0  0  0
 18  6  1  0  0  0  0
 19 13  2  0  0  0  0
 20 13  1  0  0  0  0
 21 24  1  0  0  0  0
 22 14  1  0  0  0  0
 23 29  1  0  0  0  0
 24 20  2  0  0  0  0
 25 19  1  0  0  0  0
 26 21  1  0  0  0  0
 27 18  2  0  0  0  0
 28 18  1  0  0  0  0
 29 28  2  0  0  0  0
 30 27  1  0  0  0  0
 31 23  1  0  0  0  0
 32 31  1  0  0  0  0
 23 30  2  0  0  0  0
  7 14  2  0  0  0  0
 25 21  2  0  0  0  0
M  END
>  <Mol_ID> (5,159)
5159

>  <Formula> (5,159)
C21H17ClFN3O4S2

>  <MolWeight> (5,159)
493.9587832

>  <COMPOUND_NAME> (5,159)
WAY-381612

>  <BAR_CODE_NO> (5,159)
2572029

$$$$
WAY-381626
csChFnd80/06171916332D

 31 33  0  0  0  0  0  0  0  0999 V2000
    6.0917   -4.6667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.2750   -0.9375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2667   -1.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9917   -0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8167   -4.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3750   -5.0792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5417   -3.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5417   -2.1917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8167   -3.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6792   -3.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5042   -5.3917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9792   -2.1917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.9917    0.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2542   -3.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6542   -4.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7125   -0.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5292   -4.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9417   -5.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2417   -4.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7250    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2792    0.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2250   -4.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0125    1.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9792   -3.0292    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.2792    1.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7292    1.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4917   -5.0667    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.0125    2.8083    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.9417   -3.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6542   -3.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2292   -3.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  9  1  0  0  0  0
  8  7  1  0  0  0  0
  9  5  2  0  0  0  0
 10  1  2  0  0  0  0
 11  1  2  0  0  0  0
 12  3  2  0  0  0  0
 13  4  1  0  0  0  0
 14 19  1  0  0  0  0
 15  6  1  0  0  0  0
 16  4  2  0  0  0  0
 17  5  1  0  0  0  0
 18 15  1  0  0  0  0
 19 17  2  0  0  0  0
 20 13  2  0  0  0  0
 21 13  1  0  0  0  0
 22 18  2  0  0  0  0
 23 25  1  0  0  0  0
 24 14  1  0  0  0  0
 25 21  2  0  0  0  0
 26 20  1  0  0  0  0
 27 22  1  0  0  0  0
 28 23  1  0  0  0  0
 29 30  1  0  0  0  0
 30 15  2  0  0  0  0
 31 29  2  0  0  0  0
  7 14  2  0  0  0  0
 22 31  1  0  0  0  0
 26 23  2  0  0  0  0
M  END
>  <Mol_ID> (5,160)
5160

>  <Formula> (5,160)
C20H14Cl2FN3O3S2

>  <MolWeight> (5,160)
498.3778632

>  <COMPOUND_NAME> (5,160)
WAY-381626

>  <BAR_CODE_NO> (5,160)
2572071

$$$$
WAY-381628
csChFnd80/06171916332D

 16 16  0  0  0  0  0  0  0  0999 V2000
    5.2875   -7.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5292   -7.8292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7000   -7.8292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7042   -6.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4667   -7.1167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9417   -8.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2917   -5.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0125   -5.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5667   -6.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8750   -4.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4417   -9.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8250   -8.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7417  -10.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3667   -9.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4625  -10.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1917   -9.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  2  0  0  0  0
  6  2  2  0  0  0  0
  7  4  1  0  0  0  0
  8  7  1  0  0  0  0
  9  7  1  0  0  0  0
 10  7  1  0  0  0  0
 11  6  1  0  0  0  0
 12  6  1  0  0  0  0
 13 11  1  0  0  0  0
 14 12  1  0  0  0  0
 15 13  1  0  0  0  0
 16 14  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (5,161)
5161

>  <Formula> (5,161)
C12H22N2O2

>  <MolWeight> (5,161)
226.31528

>  <COMPOUND_NAME> (5,161)
WAY-381628

>  <BAR_CODE_NO> (5,161)
2572074

$$$$
WAY-381644
csChFnd80/06171916332D

 31 33  0  0  0  0  0  0  0  0999 V2000
    5.7542   -3.8250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4417   -3.8167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4792   -4.2417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0375   -3.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1667   -3.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7292   -3.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4792   -5.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3250   -3.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1750   -3.1042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3417   -4.5417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875   -3.8167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1750   -2.5750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0125   -3.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6042   -3.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0375   -2.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7417   -2.5667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1917   -5.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7083   -3.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0125   -4.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3250   -2.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6042   -2.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333   -4.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9125   -5.0625    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7083   -5.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4250   -3.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1500   -5.0417    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.7625   -5.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7542   -2.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1917   -6.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7625   -6.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4792   -6.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5 11  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  2  0  0  0  0
  9  1  2  0  0  0  0
 10  1  2  0  0  0  0
 11 14  1  0  0  0  0
 12  5  2  0  0  0  0
 13  6  1  0  0  0  0
 14  8  1  0  0  0  0
 15  4  1  0  0  0  0
 16  6  2  0  0  0  0
 17  7  1  0  0  0  0
 18 13  2  0  0  0  0
 19 13  1  0  0  0  0
 20 15  2  0  0  0  0
 21 20  1  0  0  0  0
 22 24  1  0  0  0  0
 23 17  1  0  0  0  0
 24 19  2  0  0  0  0
 25 18  1  0  0  0  0
 26 22  1  0  0  0  0
 27  7  2  0  0  0  0
 28 15  1  0  0  0  0
 29 17  2  0  0  0  0
 30 27  1  0  0  0  0
 31 30  2  0  0  0  0
 21 14  2  0  0  0  0
 29 31  1  0  0  0  0
 25 22  2  0  0  0  0
M  END
>  <Mol_ID> (5,162)
5162

>  <Formula> (5,162)
C21H17ClFN3O3S2

>  <MolWeight> (5,162)
477.9593832

>  <COMPOUND_NAME> (5,162)
WAY-381644

>  <BAR_CODE_NO> (5,162)
2572094

$$$$
WAY-381665
csChFnd80/06171916332D

 31 33  0  0  0  0  0  0  0  0999 V2000
    5.5417   -4.1750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2292   -4.1667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8250   -3.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9542   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2667   -4.5917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1125   -4.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1292   -4.8917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9625   -3.4542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6750   -4.1667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9625   -2.9250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000   -4.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3917   -3.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8250   -2.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2667   -5.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292   -2.9167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9792   -5.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208   -3.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000   -4.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1125   -2.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9792   -6.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3917   -2.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6458   -4.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208   -5.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6375   -4.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7042   -7.0792    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.3625   -5.3917    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.5542   -6.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5542   -5.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5417   -2.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2667   -7.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  1  0  0  0  0
  4 10  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  2  0  0  0  0
  8  1  2  0  0  0  0
  9  1  2  0  0  0  0
 10 13  1  0  0  0  0
 11  4  2  0  0  0  0
 12  5  1  0  0  0  0
 13  7  1  0  0  0  0
 14  3  1  0  0  0  0
 15  6  1  0  0  0  0
 16  5  2  0  0  0  0
 17 15  1  0  0  0  0
 18 12  2  0  0  0  0
 19 12  1  0  0  0  0
 20 14  2  0  0  0  0
 21 17  2  0  0  0  0
 22 20  1  0  0  0  0
 23 24  1  0  0  0  0
 24 19  2  0  0  0  0
 25 18  1  0  0  0  0
 26 21  1  0  0  0  0
 27 23  1  0  0  0  0
 28 29  1  0  0  0  0
 29 15  2  0  0  0  0
 30 14  1  0  0  0  0
 31 28  2  0  0  0  0
 22 13  2  0  0  0  0
 21 31  1  0  0  0  0
 25 23  2  0  0  0  0
M  END
>  <Mol_ID> (5,163)
5163

>  <Formula> (5,163)
C21H17ClFN3O3S2

>  <MolWeight> (5,163)
477.9593832

>  <COMPOUND_NAME> (5,163)
WAY-381665

>  <BAR_CODE_NO> (5,163)
2572121

$$$$
WAY-381972
csChFnd80/06171916332D

 31 34  0  0  0  0  0  0  0  0999 V2000
    5.8500   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9125   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0875   -1.5917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5542   -3.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1500   -1.5917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.0292   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3250   -0.1750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292   -1.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9750   -2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2625   -1.5917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7292   -3.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2625   -0.1667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6167   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6167   -1.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5667   -1.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4917   -2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0917   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3167   -2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5625   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3792   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9667   -3.7292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7417   -1.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7917   -1.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7917   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7917   -2.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0917   -2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167    0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9125   -2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208   -1.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208   -0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0917    0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  8  1  0  0  0  0
  3 10  1  0  0  0  0
  4 11  1  0  0  0  0
  5 19  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9 15  1  0  0  0  0
 10  1  1  0  0  0  0
 11 18  2  0  0  0  0
 12  1  2  0  0  0  0
 13  6  2  0  0  0  0
 14  6  1  0  0  0  0
 15 22  2  0  0  0  0
 16  3  2  0  0  0  0
 17  2  2  0  0  0  0
 18 16  1  0  0  0  0
 19 20  1  0  0  0  0
 20 23  1  0  0  0  0
 21  4  1  0  0  0  0
 22 18  1  0  0  0  0
 23 14  2  0  0  0  0
 24 13  1  0  0  0  0
 25  9  1  0  0  0  0
 26 28  1  0  0  0  0
 27  7  2  0  0  0  0
 28  8  2  0  0  0  0
 29 26  2  0  0  0  0
 30 17  1  0  0  0  0
 31 30  2  0  0  0  0
 20 24  2  0  0  0  0
  4  9  2  0  0  0  0
 29 17  1  0  0  0  0
 31 27  1  0  0  0  0
M  END
>  <Mol_ID> (5,164)
5164

>  <Formula> (5,164)
C24H19N3O3S

>  <MolWeight> (5,164)
429.49096

>  <COMPOUND_NAME> (5,164)
WAY-381972

>  <BAR_CODE_NO> (5,164)
2572377

$$$$
WAY-382051
csChFnd80/06171916332D

 23 25  0  0  0  0  0  0  0  0999 V2000
    8.1042   -6.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6375   -7.6167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6792   -7.6125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.3625  -10.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8625   -9.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0667  -10.9917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8667   -9.5417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -10.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3292  -10.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6125   -5.8167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0667   -6.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1917   -8.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3292   -8.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7917   -9.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2917   -8.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2292   -8.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7542   -9.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5500   -7.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5417   -5.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6792   -9.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5042   -7.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5000   -5.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9792   -6.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  9  2  0  0  0  0
  5 13  2  0  0  0  0
  6  4  1  0  0  0  0
  7  5  1  0  0  0  0
  8  6  1  0  0  0  0
  9 14  1  0  0  0  0
 10  1  2  0  0  0  0
 11  1  1  0  0  0  0
 12  3  2  0  0  0  0
 13 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 14  2  0  0  0  0
 16 12  1  0  0  0  0
 17 16  1  0  0  0  0
 18 11  1  0  0  0  0
 19 11  2  0  0  0  0
 20 12  1  0  0  0  0
 21 18  2  0  0  0  0
 22 19  1  0  0  0  0
 23 22  2  0  0  0  0
 23 21  1  0  0  0  0
  5  4  1  0  0  0  0
  8  7  1  0  0  0  0
M  END
>  <Mol_ID> (5,165)
5165

>  <Formula> (5,165)
C18H18N2O3

>  <MolWeight> (5,165)
310.34712

>  <COMPOUND_NAME> (5,165)
WAY-382051

>  <BAR_CODE_NO> (5,165)
2572476

$$$$
WAY-382052
csChFnd80/06171916332D

 20 21  0  0  0  0  0  0  0  0999 V2000
    8.7375   -7.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3125   -8.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4292   -8.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2792   -6.2750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6167   -7.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9917   -9.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0917   -9.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6500   -8.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7750   -8.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0625   -8.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0500   -6.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4375  -10.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3375   -9.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3292   -7.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9375   -8.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9292   -6.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4417   -9.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4375   -7.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3750   -7.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  2  0  0  0  0
  5  1  1  0  0  0  0
  6  3  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  5  1  0  0  0  0
 11  5  2  0  0  0  0
 12  6  1  0  0  0  0
 13  9  2  0  0  0  0
 14  9  1  0  0  0  0
 15 10  2  0  0  0  0
 16 11  1  0  0  0  0
 17 13  1  0  0  0  0
 18 14  2  0  0  0  0
 19 16  2  0  0  0  0
 20 18  1  0  0  0  0
 19 15  1  0  0  0  0
 17 20  2  0  0  0  0
M  END
>  <Mol_ID> (5,166)
5166

>  <Formula> (5,166)
C17H18N2O

>  <MolWeight> (5,166)
266.33762

>  <COMPOUND_NAME> (5,166)
WAY-382052

>  <BAR_CODE_NO> (5,166)
2572477

$$$$
WAY-382062
csChFnd80/06171916332D

 23 25  0  0  0  0  0  0  0  0999 V2000
    5.6167   -1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8042   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0042   -1.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4917   -2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8167   -0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5042   -0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0750   -2.5917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6917   -2.5917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1542   -3.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7625   -3.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8542   -2.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2375   -2.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000   -0.1917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8292   -4.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9125   -3.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2125   -5.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2292   -3.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0667   -4.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9375   -1.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2917   -3.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3167   -1.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -2.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  2  0  0  0  0
  7  8  1  0  0  0  0
  8  3  1  0  0  0  0
  9 10  1  0  0  0  0
 10  7  2  0  0  0  0
 11  9  2  0  0  0  0
 12 11  1  0  0  0  0
 13  3  2  0  0  0  0
 14  9  1  0  0  0  0
 15 16  1  0  0  0  0
 16 14  2  0  0  0  0
 17  2  1  0  0  0  0
 18  6  1  0  0  0  0
 19 10  1  0  0  0  0
 20 12  1  0  0  0  0
 21 15  1  0  0  0  0
 22 20  2  0  0  0  0
 23 21  2  0  0  0  0
  6  4  1  0  0  0  0
 15 12  2  0  0  0  0
 23 22  1  0  0  0  0
M  END
>  <Mol_ID> (5,167)
5167

>  <Formula> (5,167)
C19H18N2O2

>  <MolWeight> (5,167)
306.35842

>  <COMPOUND_NAME> (5,167)
WAY-382062

>  <BAR_CODE_NO> (5,167)
2572503

$$$$
WAY-382299
csChFnd80/06171916332D

 33 36  0  0  0  0  0  0  0  0999 V2000
    9.2417   -9.5417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0750   -8.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2667   -8.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5292   -9.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9250   -9.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0000   -9.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0292   -7.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6250   -7.2125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8542   -7.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3542  -10.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6667   -9.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917   -7.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1417   -9.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0750  -10.7042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6167   -8.6417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3875   -6.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4042   -9.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5917   -8.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6292   -8.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9625  -10.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5667  -11.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0042   -8.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2625   -8.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0792   -9.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6875   -8.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.8000   -5.7667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1667  -10.6917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3667   -7.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5500   -6.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3875   -5.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5542  -10.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5417   -7.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1375   -7.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  1  1  0  0  0  0
  7  9  1  0  0  0  0
  8  7  1  0  0  0  0
  9  3  1  0  0  0  0
 10  4  1  0  0  0  0
 11  6  1  0  0  0  0
 12  8  1  0  0  0  0
 13  5  1  0  0  0  0
 14  6  2  0  0  0  0
 15  7  2  0  0  0  0
 16 12  1  0  0  0  0
 17 11  2  0  0  0  0
 18 11  1  0  0  0  0
 19  2  1  0  0  0  0
 20 21  1  0  0  0  0
 21 10  2  0  0  0  0
 22 23  1  0  0  0  0
 23 18  2  0  0  0  0
 24 17  1  0  0  0  0
 25 22  1  0  0  0  0
 26 16  1  0  0  0  0
 27 20  1  0  0  0  0
 28 12  2  0  0  0  0
 29 16  2  0  0  0  0
 30 26  1  0  0  0  0
 31 27  1  0  0  0  0
 32 28  1  0  0  0  0
 33 32  2  0  0  0  0
  3  5  1  0  0  0  0
 24 22  2  0  0  0  0
 13 20  2  0  0  0  0
 29 33  1  0  0  0  0
M  END
>  <Mol_ID> (5,168)
5168

>  <Formula> (5,168)
C26H23ClN2O4

>  <MolWeight> (5,168)
462.92482

>  <COMPOUND_NAME> (5,168)
WAY-382299

>  <BAR_CODE_NO> (5,168)
2572755

$$$$
WL-112655
csChFnd80/06171916332D

 18 19  0  0  0  0  0  0  0  0999 V2000
    0.5292    0.5295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1278    0.1755    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7638    0.5295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1502    0.1185    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292    1.3005    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7638    1.3005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4388    0.1755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042    0.4935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0362   -0.5955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0568    0.5295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4388   -0.5775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5002    0.1935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5252   -1.1775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7138    0.1755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0568   -0.9525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7318   -0.5775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7252   -0.5205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2932   -1.1205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 16 15  2  0  0  0  0
 18 17  1  0  0  0  0
 18 13  1  0  0  0  0
 17 12  1  0  0  0  0
 16 14  1  0  0  0  0
 15 11  1  0  0  0  0
 10 14  2  0  0  0  0
 13  9  1  0  0  0  0
 12  8  1  0  0  0  0
 11  7  2  0  0  0  0
 10  7  1  0  0  0  0
  9  4  1  0  0  0  0
  8  4  1  0  0  0  0
  7  3  1  0  0  0  0
  6  3  2  0  0  0  0
  5  1  2  0  0  0  0
  4  1  1  0  0  0  0
  3  2  1  0  0  0  0
  2  1  1  0  0  0  0
M  END
>  <Mol_ID> (5,169)
5169

>  <Formula> (5,169)
C14H18N2OS

>  <MolWeight> (5,169)
262.37052

>  <COMPOUND_NAME> (5,169)
WL-112655

>  <BAR_CODE_NO> (5,169)
2571175

$$$$
WAY-310562
csChFnd80/06171916332D

 23 25  0  0  0  0  0  0  0  0999 V2000
    1.6533    0.3531    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3991   -0.4344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9866    0.8323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3241    0.3531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5741   -0.4344    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4592    0.6031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4408    0.6073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0842    0.0531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8009    0.4656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7967   -1.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8866   -1.1052    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0533    0.0531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5134    0.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8366    0.3156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5092   -0.7844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9866    1.6573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0842   -0.7802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0033    1.1156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4491   -0.2427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2259    0.4573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2342   -1.1969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9384    0.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9467   -0.7844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  2  0  0  0  0
  7  1  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  2  0  0  0  0
 10 17  1  0  0  0  0
 11  2  2  0  0  0  0
 12  7  1  0  0  0  0
 13  9  1  0  0  0  0
 14 12  1  0  0  0  0
 15 10  1  0  0  0  0
 16  3  2  0  0  0  0
 17  8  1  0  0  0  0
 18 14  2  0  0  0  0
 19 14  1  0  0  0  0
 20 13  2  0  0  0  0
 21 15  2  0  0  0  0
 22 20  1  0  0  0  0
 23 21  1  0  0  0  0
  5  4  1  0  0  0  0
 13 15  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (5,170)
5170

>  <Formula> (5,170)
C16H13NO4S2

>  <MolWeight> (5,170)
347.40872

>  <COMPOUND_NAME> (5,170)
WAY-310562

>  <BAR_CODE_NO> (5,170)
3914794

$$$$
WAY-313299
csChFnd80/06171916332D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -2.3862   -0.6448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1069    0.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3724   -0.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6345   -1.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1207   -0.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8207    1.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9862   -1.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8207    0.3862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7207   -2.1897    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5931   -2.0966    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8414    0.5759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5690    1.8103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0310   -1.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5552    1.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7793   -1.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7828   -1.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5069   -0.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2069    0.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4931   -0.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9448    1.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2069   -0.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9310    0.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6448    1.7379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6655    1.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3310    2.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  2  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
  7  9  1  0  0  0  0
 12 14  2  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (5,171)
5171

>  <Formula> (5,171)
C20H18N2OS2

>  <MolWeight> (5,171)
366.49972

>  <COMPOUND_NAME> (5,171)
WAY-313299

>  <BAR_CODE_NO> (5,171)
3918161

$$$$
WAY-312044
csChFnd80/06171916332D

 19 20  0  0  0  0  0  0  0  0999 V2000
    1.4207    0.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.4310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5414   -0.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7414    0.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8483    1.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1207   -0.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2621   -0.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8621   -0.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6000    0.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2414   -0.6310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3690   -1.6000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.1793   -0.3103    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9000   -0.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0379    0.6897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5586   -0.4310    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8000    0.7897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1172    0.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9000   -0.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  7 10  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
  8  9  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (5,172)
5172

>  <Formula> (5,172)
C12H12ClN3OS2

>  <MolWeight> (5,172)
313.82618

>  <COMPOUND_NAME> (5,172)
WAY-312044

>  <BAR_CODE_NO> (5,172)
3916605

$$$$
WAY-311191
csChFnd80/06171916332D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -1.6552   -0.1655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4448    0.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9448    0.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5276   -1.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3172   -0.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2276    1.2345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3069    1.3241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0069    0.2552    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6448   -1.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4448   -0.9379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6138    0.9621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7276   -1.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2966   -1.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5034    0.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8448   -2.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4172   -2.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1241    1.4724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8034   -0.1069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6759   -2.7966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0448    1.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3241    0.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6655    1.9621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2345    0.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5552    1.7724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8552    0.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7655    0.7345    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  2  0  0  0  0
 25 26  1  0  0  0  0
  6  7  1  0  0  0  0
 16 19  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (5,173)
5173

>  <Formula> (5,173)
C19H19BrN4OS

>  <MolWeight> (5,173)
431.34936

>  <COMPOUND_NAME> (5,173)
WAY-311191

>  <BAR_CODE_NO> (5,173)
3915555

$$$$
WAY-311188
csChFnd80/06171916332D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -1.0517   -0.4586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6517   -0.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4517   -0.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0414   -1.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3724   -0.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4414    0.6310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6931    0.6310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1862   -0.3276    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3828   -1.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9034    0.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7862    0.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7517    0.9517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6241    0.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4483   -0.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3241    1.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1828    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0690    0.2414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5483   -0.9103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0138    1.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7276   -0.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3483    0.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8379   -0.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0069    0.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3172    1.1103    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.5276   -1.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0862   -0.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
 14 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  2  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
 23 26  1  0  0  0  0
  6  7  1  0  0  0  0
 16 19  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <Mol_ID> (5,174)
5174

>  <Formula> (5,174)
C19H19ClN4OS

>  <MolWeight> (5,174)
386.89836

>  <COMPOUND_NAME> (5,174)
WAY-311188

>  <BAR_CODE_NO> (5,174)
3915552

$$$$
WAY-344709
csChFnd80/06171916332D

 20 22  0  0  0  0  0  0  0  0999 V2000
    5.5792   -6.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6417   -6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2542   -7.1542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7750   -7.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9542   -7.7917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1667   -5.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7542   -4.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2292   -5.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2250   -3.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8417   -4.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5875   -9.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6292   -7.7042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.6000   -3.1625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7417   -3.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6417   -4.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3542   -8.4792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1667   -3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7292   -8.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6792   -9.9667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9167  -10.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  2  1  0  0  0  0
  7  8  1  0  0  0  0
  8  6  2  0  0  0  0
  9 17  1  0  0  0  0
 10  7  1  0  0  0  0
 11 18  1  0  0  0  0
 12  4  1  0  0  0  0
 13  9  1  0  0  0  0
 14 10  1  0  0  0  0
 15  6  1  0  0  0  0
 16 11  2  0  0  0  0
 17 15  2  0  0  0  0
 18 12  1  0  0  0  0
 19 11  1  0  0  0  0
 20 19  1  0  0  0  0
  5  3  1  0  0  0  0
  9  7  2  0  0  0  0
 14 13  1  0  0  0  0
M  END
>  <Mol_ID> (5,175)
5175

>  <Formula> (5,175)
C12H11N3O4S

>  <MolWeight> (5,175)
293.29844

>  <COMPOUND_NAME> (5,175)
WAY-344709

>  <BAR_CODE_NO> (5,175)
2554946

$$$$
WAY-312491
csChFnd80/06171916332D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -2.5586   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7000    0.2552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6759   -0.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1069   -1.5517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7172   -0.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8034    1.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0138    0.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4517   -1.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9724   -1.4483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3345    0.1207    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8414    1.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1310    1.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5690   -0.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2483   -0.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9034    0.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3000   -0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2172   -0.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4345    1.0172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4034    0.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1828   -1.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4517    1.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2345   -0.5828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3724    0.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
 10 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
  5  9  2  0  0  0  0
 13 15  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (5,176)
5176

>  <Formula> (5,176)
C18H24N4OS

>  <MolWeight> (5,176)
344.47436

>  <COMPOUND_NAME> (5,176)
WAY-312491

>  <BAR_CODE_NO> (5,176)
3917133

$$$$
WAY-310811
csChFnd80/06171916332D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -0.2966    0.1034    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.8586   -0.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5828    0.0621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5586    0.9448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7172   -1.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6586   -0.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0828   -0.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0034    0.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0034    1.5828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3966    1.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0414   -1.7966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3759   -1.9172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3379   -0.7966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7966    0.6448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8414   -1.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9241   -0.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8621    0.8621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5414    1.5828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2586    2.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6759    1.9448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1759   -1.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4241   -2.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5034   -1.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    1.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0966    2.5828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0379   -2.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9966   -1.8966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2414   -1.8966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1241    1.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8241    2.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  2  0  0  0  0
  7 15  2  0  0  0  0
  7 16  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  2  0  0  0  0
  9 19  1  0  0  0  0
 10 20  2  0  0  0  0
 12 21  1  0  0  0  0
 15 22  1  0  0  0  0
 16 23  2  0  0  0  0
 17 24  1  0  0  0  0
 19 25  2  0  0  0  0
 21 26  1  0  0  0  0
 21 27  1  0  0  0  0
 22 28  2  0  0  0  0
 24 29  1  0  0  0  0
 24 30  1  0  0  0  0
 11 15  1  0  0  0  0
 13 21  1  0  0  0  0
 20 25  1  0  0  0  0
 23 28  1  0  0  0  0
M  END
>  <Mol_ID> (5,177)
5177

>  <Formula> (5,177)
C25H29N3O2

>  <MolWeight> (5,177)
403.51666

>  <COMPOUND_NAME> (5,177)
WAY-310811

>  <BAR_CODE_NO> (5,177)
3915090

$$$$
WAY-312133
csChFnd80/06171916332D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -0.4900   -1.5358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3525   -0.0400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8400   -2.3233    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8767   -2.1733    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1608   -1.5650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9142   -1.0400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1392    0.2642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1400   -0.0150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4392   -1.0400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4858   -2.3233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8233    2.2767    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9142    1.5850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1975    0.2642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8233    0.7267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4600    1.5850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7392    0.2850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4608    0.7267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1400    3.0350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4975   -0.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4608    2.2975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  6  2  0  0  0  0
 10  5  2  0  0  0  0
 11 14  2  0  0  0  0
 12  7  2  0  0  0  0
 13  9  1  0  0  0  0
 14  8  1  0  0  0  0
 15 12  1  0  0  0  0
 16 13  1  0  0  0  0
 17  8  2  0  0  0  0
 18 20  2  0  0  0  0
 19 16  1  0  0  0  0
 20 17  1  0  0  0  0
  7  6  1  0  0  0  0
 15 13  2  0  0  0  0
 11 18  1  0  0  0  0
M  END
>  <Mol_ID> (5,178)
5178

>  <Formula> (5,178)
C14H11N3O2S

>  <MolWeight> (5,178)
285.32104

>  <COMPOUND_NAME> (5,178)
WAY-312133

>  <BAR_CODE_NO> (5,178)
3916716

$$$$
WAY-312631
csChFnd80/06171916332D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -3.4411   -0.3831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9963    0.5549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3169   -0.3555    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9928   -1.3279    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7790    1.6480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0790    0.5445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8411    0.7066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0652   -1.3279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6549    2.9169    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6100   -0.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6549    0.7066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6100   -2.2555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3831    1.2721    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4169   -0.4417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3900    0.6859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4072    1.2721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3900   -0.4900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4417    0.6859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4072   -1.0796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4417   -0.4900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4589   -1.0796    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4831   -0.4900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4831    0.6859    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.5072   -1.0796    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.6658   -0.4900    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
  5  7  2  0  0  0  0
  8 10  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (5,179)
5179

>  <Formula> (5,179)
C16H12F3N3O2S

>  <MolWeight> (5,179)
367.3455896

>  <COMPOUND_NAME> (5,179)
WAY-312631

>  <BAR_CODE_NO> (5,179)
3917291

$$$$
CL-409141
csChFnd80/06171916332D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -3.6449    0.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0876    0.1724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6449    2.2087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1704    0.1724    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7834   -1.1809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9621    1.4426    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1704    2.6938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0876    2.6938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2639    1.4426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9407   -2.4895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3473   -1.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5663    4.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2681    1.4809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6812   -3.8811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0431   -2.6363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0788    0.1021    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0788    2.8023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2069   -3.9577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6427    0.1021    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4087   -1.2192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9407   -1.2192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7451   -2.5661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7068    0.1021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2771   -2.5661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0110   -3.9066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2771    0.1021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0431   -1.2192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5236   -3.9577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  2  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  2  0  0  0  0
 14 18  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 23 26  2  0  0  0  0
 24 27  2  0  0  0  0
 25 28  1  0  0  0  0
  6  8  2  0  0  0  0
  7  9  2  0  0  0  0
 15 18  2  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (5,180)
5180

>  <Formula> (5,180)
C21H18N4O2S

>  <MolWeight> (5,180)
390.45822

>  <COMPOUND_NAME> (5,180)
CL-409141

>  <BAR_CODE_NO> (5,180)
3918214

$$$$
WAY-311103
csChFnd80/06171916332D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -1.3276    0.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3207   -0.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7586    0.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6138    0.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6103   -1.0034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0379   -1.0034    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7517   -0.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4724    0.6483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1034    0.2345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6207    1.4759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1034   -0.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4724   -1.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1759    0.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8172    0.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8172   -1.0034    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1759   -0.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5276    0.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8103    1.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8172   -1.8276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2414    0.6483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5276    1.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5276   -2.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2414    1.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2483   -1.8276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5276   -3.0655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9621    1.8862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6724    1.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3897    1.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 14 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  2  0  0  0  0
 19 22  1  0  0  0  0
 20 23  2  0  0  0  0
 22 24  1  0  0  0  0
 22 25  2  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
  6  7  1  0  0  0  0
  9 11  1  0  0  0  0
 13 16  1  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (5,181)
5181

>  <Formula> (5,181)
C20H21N3O3S2

>  <MolWeight> (5,181)
415.52904

>  <COMPOUND_NAME> (5,181)
WAY-311103

>  <BAR_CODE_NO> (5,181)
3915452

$$$$
WAY-310430
csChFnd80/06171916332D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -0.2510   -0.9229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4234   -1.2815    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4387   -1.8884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1214    0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4234   -2.5264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5165   -0.6574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2510   -2.9057    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7076   -1.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3352    0.4909    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6786    1.1874    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5165   -3.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5993   -1.2815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7249    1.6564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5993   -2.5264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9387    1.9254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9145    2.5805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3111    3.0978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2800    3.7357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4869    4.0288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  9 13  1  0  0  0  0
 11 14  2  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
  5  7  2  0  0  0  0
 12 14  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (5,182)
5182

>  <Formula> (5,182)
C15H13N3O

>  <MolWeight> (5,182)
251.28322

>  <COMPOUND_NAME> (5,182)
WAY-310430

>  <BAR_CODE_NO> (5,182)
3914644

$$$$
WAY-312197
csChFnd80/06171916332D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -2.4931    0.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4931   -0.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7138    0.6828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2138    0.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7138   -0.6552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2138   -0.8138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2276    0.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9138    0.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9138   -0.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4379   -0.2448    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0310    0.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7931    0.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2103   -0.2276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2000    1.2069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0345   -0.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4448   -0.9310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4345    0.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2621   -0.9310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0310   -1.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2552    0.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0241    1.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6724   -0.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  6  9  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  2  0  0  0  0
 17 21  1  0  0  0  0
 18 22  2  0  0  0  0
  5  7  1  0  0  0  0
  8  9  1  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (5,183)
5183

>  <Formula> (5,183)
C16H16N4OS

>  <MolWeight> (5,183)
312.38944

>  <COMPOUND_NAME> (5,183)
WAY-312197

>  <BAR_CODE_NO> (5,183)
3916794

$$$$
WAY-310921
csChFnd80/06171916332D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.1723    0.2955    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8390    0.7788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1640   -0.5295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5848    1.5663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5027    0.7788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6223    0.5205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2402    1.5663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2890    1.0038    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5527   -0.9420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6777    0.8288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8723   -0.2670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9598    0.5163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2860    0.5288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6973   -0.2670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8527    0.0163    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5527   -1.7712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8985    1.0788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2902    1.3788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8765   -0.9420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2652   -2.1837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8765   -1.7712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1640   -2.1837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  5  2  0  0  0  0
  8  6  1  0  0  0  0
  9  3  2  0  0  0  0
 10 17  1  0  0  0  0
 11  6  2  0  0  0  0
 12  8  1  0  0  0  0
 13  5  1  0  0  0  0
 14 11  1  0  0  0  0
 15 10  2  0  0  0  0
 16  9  1  0  0  0  0
 17 13  1  0  0  0  0
 18 10  1  0  0  0  0
 19  3  1  0  0  0  0
 20 16  1  0  0  0  0
 21 19  2  0  0  0  0
 22 21  1  0  0  0  0
  7  4  1  0  0  0  0
 22 16  2  0  0  0  0
 14 12  2  0  0  0  0
M  END
>  <Mol_ID> (5,184)
5184

>  <Formula> (5,184)
C17H15NO3S

>  <MolWeight> (5,184)
313.3709

>  <COMPOUND_NAME> (5,184)
WAY-310921

>  <BAR_CODE_NO> (5,184)
3915223

$$$$
WAY-310944
csChFnd80/06171916332D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -0.5207    0.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2724    0.9172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3310    0.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1069   -0.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9310    1.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3931    1.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5793    0.9276    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7414   -0.5552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5310   -1.2621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7069   -0.5552    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6724    2.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1414    2.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3310   -1.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1207   -1.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9483   -1.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3483   -1.9931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3483   -0.5552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  8 13  2  0  0  0  0
 10 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
  5  7  1  0  0  0  0
  9 13  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (5,185)
5185

>  <Formula> (5,185)
C11H10N2O2S2

>  <MolWeight> (5,185)
266.3393

>  <COMPOUND_NAME> (5,185)
WAY-310944

>  <BAR_CODE_NO> (5,185)
3915252

$$$$
WAY-271760
csChFnd80/06171916332D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -0.1125   -1.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1333   -0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1333   -1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958   -1.6000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7125   -1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2833   -0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7125   -0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2875   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2833   -1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1792    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8625   -0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792   -1.6292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958    0.2458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8500    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6167    1.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042    1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9542    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8625   -1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958    1.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4333   -0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4333   -1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9542    1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    2.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  9  2  0  0  0  0
  9  2  1  0  0  0  0
 10  6  1  0  0  0  0
 11  7  2  0  0  0  0
 12 10  1  0  0  0  0
 13  8  1  0  0  0  0
 14 12  2  0  0  0  0
 15  6  2  0  0  0  0
 16 12  1  0  0  0  0
 17  5  1  0  0  0  0
 18 13  2  0  0  0  0
 19 16  2  0  0  0  0
 20 14  1  0  0  0  0
 21 19  1  0  0  0  0
 22 16  1  0  0  0  0
 23 11  1  0  0  0  0
 24 20  1  0  0  0  0
 25 13  1  0  0  0  0
 26 23  1  0  0  0  0
 27 22  1  0  0  0  0
 28 24  1  0  0  0  0
  2  3  2  0  0  0  0
 11  8  1  0  0  0  0
 21 20  2  0  0  0  0
 26 25  1  0  0  0  0
M  END
>  <Mol_ID> (5,186)
5186

>  <Formula> (5,186)
C20H19N3O4S

>  <MolWeight> (5,186)
397.44756

>  <COMPOUND_NAME> (5,186)
WAY-271760

>  <BAR_CODE_NO> (5,186)
397646

$$$$
WAY-271762
csChFnd80/06171916332D

 32 35  0  0  0  0  0  0  0  0999 V2000
   -0.3708   -0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708   -1.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1958   -0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833   -0.6500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.1958   -1.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833   -1.6167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792   -0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667   -1.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6167   -1.4167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167   -1.6042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292   -0.3792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542   -1.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3625    0.1625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000    0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5667   -1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0292   -2.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5125    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6208    0.0458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333    0.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1000   -2.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542   -1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500   -1.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1000   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1000   -1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0375   -1.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4875   -2.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5292   -2.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6667   -0.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6875   -3.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  2  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8  1  1  0  0  0  0
  9 10  1  0  0  0  0
 10 14  1  0  0  0  0
 11  3  1  0  0  0  0
 12  2  1  0  0  0  0
 13  8  3  0  0  0  0
 14 23  1  0  0  0  0
 15  7  1  0  0  0  0
 16  7  2  0  0  0  0
 17  9  2  0  0  0  0
 18  9  1  0  0  0  0
 19 15  1  0  0  0  0
 20 11  2  0  0  0  0
 21 16  1  0  0  0  0
 22 14  2  0  0  0  0
 23 12  1  0  0  0  0
 24  5  1  0  0  0  0
 25 11  1  0  0  0  0
 26 25  1  0  0  0  0
 27 29  1  0  0  0  0
 28 17  1  0  0  0  0
 29 18  2  0  0  0  0
 30 18  1  0  0  0  0
 31 17  1  0  0  0  0
 32 30  1  0  0  0  0
  6  5  1  0  0  0  0
 21 19  2  0  0  0  0
 26 24  1  0  0  0  0
 28 27  2  0  0  0  0
M  END
>  <Mol_ID> (5,187)
5187

>  <Formula> (5,187)
C25H25N3O3S

>  <MolWeight> (5,187)
447.5493

>  <COMPOUND_NAME> (5,187)
WAY-271762

>  <BAR_CODE_NO> (5,187)
397648

$$$$
WAY-271795
csChFnd80/06171916332D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -1.1625    2.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3375    2.3750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    3.2125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6458    1.7208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6458    3.0500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4333    2.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4333    1.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0750    3.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8583    2.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1458    3.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9458    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1458    1.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4958   -0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1458    3.9083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0208    2.5083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2833    3.6458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3375    3.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8583    1.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958    0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000    3.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3250    2.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167    3.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1500    2.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1417    3.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5625    3.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  9  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7  4  1  0  0  0  0
  8  2  1  0  0  0  0
  9 10  2  0  0  0  0
 10  6  1  0  0  0  0
 11 19  1  0  0  0  0
 12  7  1  0  0  0  0
 13 11  3  0  0  0  0
 14  3  2  0  0  0  0
 15  3  2  0  0  0  0
 16  3  1  0  0  0  0
 17  8  2  0  0  0  0
 18 12  2  0  0  0  0
 19  4  1  0  0  0  0
 20  8  1  0  0  0  0
 21 20  1  0  0  0  0
 22 20  1  0  0  0  0
 23 21  1  0  0  0  0
 24 22  1  0  0  0  0
 25 24  1  0  0  0  0
  7  6  2  0  0  0  0
 18  9  1  0  0  0  0
 25 23  1  0  0  0  0
M  END
>  <Mol_ID> (5,188)
5188

>  <Formula> (5,188)
C17H19N3O3S2

>  <MolWeight> (5,188)
377.48106

>  <COMPOUND_NAME> (5,188)
WAY-271795

>  <BAR_CODE_NO> (5,188)
397681

$$$$
WAY-271800
csChFnd80/06171916332D

 27 29  0  0  0  0  0  0  0  0999 V2000
    1.2042   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7167   -1.3292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0292   -0.6667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7167    0.0083    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0625   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0625   -1.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7750    0.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167   -2.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333   -3.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7750   -1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9208   -0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2083    0.1708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4958   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9750   -2.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0292    0.7583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6333    0.1708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6917    0.7583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4958   -1.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2667    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5167    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9250   -1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9125    0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9292    1.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7542    1.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7375    0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1625    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  5  1  0  0  0  0
  9 15  1  0  0  0  0
 10  9  3  0  0  0  0
 11  6  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14  8  2  0  0  0  0
 15  2  1  0  0  0  0
 16  7  2  0  0  0  0
 17 12  2  0  0  0  0
 18 20  1  0  0  0  0
 19 11  2  0  0  0  0
 20  7  1  0  0  0  0
 21 18  1  0  0  0  0
 22 12  1  0  0  0  0
 23 21  2  0  0  0  0
 24 21  1  0  0  0  0
 25 24  2  0  0  0  0
 26 23  1  0  0  0  0
 27 25  1  0  0  0  0
  6  5  2  0  0  0  0
 19 14  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <Mol_ID> (5,189)
5189

>  <Formula> (5,189)
C20H17N3O3S

>  <MolWeight> (5,189)
379.43228

>  <COMPOUND_NAME> (5,189)
WAY-271800

>  <BAR_CODE_NO> (5,189)
397686

$$$$
WAY-271844
csChFnd80/06171916332D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -2.4583    3.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1250    2.5333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7958    3.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5375    3.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6750    2.7583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7125    3.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208    1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583    0.9083    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667    0.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0500    2.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6125    1.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    2.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1208    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1958    3.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7583    1.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667    0.2375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -6.1417    2.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5375    1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9833    3.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9292    1.9875    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  6  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  2  0  0  0  0
  7  8  1  0  0  0  0
  8  5  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11  7  2  0  0  0  0
 12 11  1  0  0  0  0
 13  3  1  0  0  0  0
 14  8  2  0  0  0  0
 15 13  2  0  0  0  0
 16 13  1  0  0  0  0
 17 10  1  0  0  0  0
 18 19  1  0  0  0  0
 19 16  2  0  0  0  0
 20 15  1  0  0  0  0
 21 18  1  0  0  0  0
  3  4  2  0  0  0  0
 10 12  2  0  0  0  0
 18 20  2  0  0  0  0
M  END
>  <Mol_ID> (5,190)
5190

>  <Formula> (5,190)
C13H7ClFN3O2S

>  <MolWeight> (5,190)
323.7299832

>  <COMPOUND_NAME> (5,190)
WAY-271844

>  <BAR_CODE_NO> (5,190)
397730

$$$$
WAY-271864
csChFnd80/06171916332D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -2.4583    3.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1250    2.5333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7958    3.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5375    3.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6750    2.7583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7125    3.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208    1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583    0.9083    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667    0.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0500    2.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6125    1.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    2.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1208    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2083    3.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7583    1.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667    0.2375    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -6.1417    2.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5458    1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9833    3.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9292    1.9958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5417    2.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  6  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  2  0  0  0  0
  7  8  1  0  0  0  0
  8  5  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11  7  2  0  0  0  0
 12 11  1  0  0  0  0
 13  3  1  0  0  0  0
 14  8  2  0  0  0  0
 15 13  2  0  0  0  0
 16 13  1  0  0  0  0
 17 10  1  0  0  0  0
 18 19  1  0  0  0  0
 19 16  2  0  0  0  0
 20 15  1  0  0  0  0
 21 18  1  0  0  0  0
 22 21  1  0  0  0  0
  3  4  2  0  0  0  0
 12 10  2  0  0  0  0
 18 20  2  0  0  0  0
M  END
>  <Mol_ID> (5,191)
5191

>  <Formula> (5,191)
C14H10BrN3O3S

>  <MolWeight> (5,191)
380.2165

>  <COMPOUND_NAME> (5,191)
WAY-271864

>  <BAR_CODE_NO> (5,191)
397750

$$$$
WAY-271872
csChFnd80/06171916332D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -2.4583    3.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1250    2.5333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7958    3.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5375    3.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7125    3.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6750    2.7583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    2.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1208    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7583    1.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1958    3.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1125    2.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208    1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1417    2.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5375    1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9833    3.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9292    1.9875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.6792    1.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792    2.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0792    2.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6417    0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542    1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  3  1  0  0  0  0
  9  7  2  0  0  0  0
 10  8  1  0  0  0  0
 11  8  2  0  0  0  0
 12 13  1  0  0  0  0
 13  7  1  0  0  0  0
 14 16  2  0  0  0  0
 15 10  2  0  0  0  0
 16 11  1  0  0  0  0
 17 14  1  0  0  0  0
 18 12  1  0  0  0  0
 19 18  2  0  0  0  0
 20 18  1  0  0  0  0
 21 20  2  0  0  0  0
 22 19  1  0  0  0  0
 23 21  1  0  0  0  0
  3  4  2  0  0  0  0
 15 14  1  0  0  0  0
 23 22  2  0  0  0  0
M  END
>  <Mol_ID> (5,192)
5192

>  <Formula> (5,192)
C16H12ClN3O3

>  <MolWeight> (5,192)
329.73778

>  <COMPOUND_NAME> (5,192)
WAY-271872

>  <BAR_CODE_NO> (5,192)
397758

$$$$
WAY-271873
csChFnd80/06171916332D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -2.4583    3.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1250    2.5333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5375    3.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7958    3.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6750    2.7583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7125    3.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292    0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208    1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5500    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    2.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1208    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5875   -0.9917    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4000   -0.3542    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2292   -0.0042    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1083    2.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6750    1.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7583    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2083    3.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5458    1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9833    3.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1417    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  6  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  2  0  0  0  0
  7  5  1  0  0  0  0
  8  9  1  0  0  0  0
  9 11  1  0  0  0  0
 10  7  1  0  0  0  0
 11 10  2  0  0  0  0
 12  4  1  0  0  0  0
 13  7  2  0  0  0  0
 14  8  1  0  0  0  0
 15  8  1  0  0  0  0
 16  8  1  0  0  0  0
 17 19  1  0  0  0  0
 18 10  1  0  0  0  0
 19 18  2  0  0  0  0
 20 12  1  0  0  0  0
 21 12  2  0  0  0  0
 22 20  2  0  0  0  0
 23 21  1  0  0  0  0
 24 23  2  0  0  0  0
  4  3  2  0  0  0  0
  9 17  2  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <Mol_ID> (5,193)
5193

>  <Formula> (5,193)
C16H10F3N3O2

>  <MolWeight> (5,193)
333.2647096

>  <COMPOUND_NAME> (5,193)
WAY-271873

>  <BAR_CODE_NO> (5,193)
397759

$$$$
WAY-271874
csChFnd80/06171916332D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -2.4583    3.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1250    2.5333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5375    3.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7958    3.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7125    3.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6750    2.7583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    2.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1208    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1000    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208    1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792    1.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542    1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0417    1.2375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2792    2.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542    1.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667    2.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6417    0.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2083    3.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7583    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9833    3.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5458    1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1417    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  5  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  4  1  0  0  0  0
  9  7  2  0  0  0  0
 10 11  1  0  0  0  0
 11  7  1  0  0  0  0
 12 10  1  0  0  0  0
 13 18  2  0  0  0  0
 14 13  1  0  0  0  0
 15 12  1  0  0  0  0
 16 12  2  0  0  0  0
 17 15  2  0  0  0  0
 18 16  1  0  0  0  0
 19  8  2  0  0  0  0
 20  8  1  0  0  0  0
 21 19  1  0  0  0  0
 22 20  2  0  0  0  0
 23 22  1  0  0  0  0
  4  3  2  0  0  0  0
 23 21  2  0  0  0  0
 17 13  1  0  0  0  0
M  END
>  <Mol_ID> (5,194)
5194

>  <Formula> (5,194)
C16H12ClN3O3

>  <MolWeight> (5,194)
329.73778

>  <COMPOUND_NAME> (5,194)
WAY-271874

>  <BAR_CODE_NO> (5,194)
397760

$$$$
WAY-271876
csChFnd80/06171916332D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -2.4583    3.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1250    2.5333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5375    3.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7958    3.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6750    2.7583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7125    3.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208    1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1208    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1125    2.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    2.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5500    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958    3.0583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792    1.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2083    3.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7583    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0917    3.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292    0.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9833    3.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5458    1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8500    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1417    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  7  1  0  0  0  0
  4  2  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  7  1  2  0  0  0  0
  8  5  1  0  0  0  0
  9  5  2  0  0  0  0
 10  8  1  0  0  0  0
 11  4  1  0  0  0  0
 12  8  2  0  0  0  0
 13 10  1  0  0  0  0
 14 10  2  0  0  0  0
 15 11  2  0  0  0  0
 16 11  1  0  0  0  0
 17 13  1  0  0  0  0
 18 12  1  0  0  0  0
 19 15  1  0  0  0  0
 20 16  2  0  0  0  0
 21 18  2  0  0  0  0
 22 20  1  0  0  0  0
  4  3  2  0  0  0  0
 21 14  1  0  0  0  0
 22 19  2  0  0  0  0
M  END
>  <Mol_ID> (5,195)
5195

>  <Formula> (5,195)
C16H13N3O3

>  <MolWeight> (5,195)
295.29272

>  <COMPOUND_NAME> (5,195)
WAY-271876

>  <BAR_CODE_NO> (5,195)
397762

$$$$
WAY-271877
csChFnd80/06171916332D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -3.7958    3.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4583    3.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1250    2.5333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5375    3.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6750    2.7583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7125    3.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    2.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8333    1.9750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500    3.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1208    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6583    1.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208    1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9208    2.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1083    2.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5500    0.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792    1.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  5  1  0  0  0  0
  8  1  1  0  0  0  0
  9  8  1  0  0  0  0
 10  8  2  0  0  0  0
 11  7  2  0  0  0  0
 12  9  1  0  0  0  0
 13  7  1  0  0  0  0
 14 10  1  0  0  0  0
 15 13  1  0  0  0  0
 16 13  2  0  0  0  0
 17 15  2  0  0  0  0
 18 16  1  0  0  0  0
 19 18  2  0  0  0  0
  6  2  2  0  0  0  0
 12 14  2  0  0  0  0
 19 17  1  0  0  0  0
M  END
>  <Mol_ID> (5,196)
5196

>  <Formula> (5,196)
C13H9N3O2S

>  <MolWeight> (5,196)
271.29446

>  <COMPOUND_NAME> (5,196)
WAY-271877

>  <BAR_CODE_NO> (5,196)
397763

$$$$
WAY-271886
csChFnd80/06171916332D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -3.7958    3.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4583    3.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1250    2.5333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5375    3.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6750    2.7583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    2.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7125    3.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8333    1.9750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6583    1.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500    3.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9125    2.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1208    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208    1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1375    1.2958    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.1083    2.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5500    0.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792    1.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8  6  1  0  0  0  0
  9  5  1  0  0  0  0
 10  8  1  0  0  0  0
 11  6  2  0  0  0  0
 12 11  1  0  0  0  0
 13  9  2  0  0  0  0
 14  9  1  0  0  0  0
 15 10  1  0  0  0  0
 16 14  1  0  0  0  0
 17 14  2  0  0  0  0
 18 16  2  0  0  0  0
 19 17  1  0  0  0  0
 20 19  2  0  0  0  0
  7  2  2  0  0  0  0
 10 12  2  0  0  0  0
 20 18  1  0  0  0  0
M  END
>  <Mol_ID> (5,197)
5197

>  <Formula> (5,197)
C13H8ClN3O2S

>  <MolWeight> (5,197)
305.73952

>  <COMPOUND_NAME> (5,197)
WAY-271886

>  <BAR_CODE_NO> (5,197)
397772

$$$$
WAY-271906
csChFnd80/06171916332D

 16 17  0  0  0  0  0  0  0  0999 V2000
    1.4417   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167   -1.0792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6667    0.0125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667   -0.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5917   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3750    0.0125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417   -0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292   -1.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333   -0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2667   -0.8917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5750   -1.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0500   -1.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792    0.2708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2500   -1.5542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458    0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7708   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8  4  2  0  0  0  0
  9  7  2  0  0  0  0
 10  5  1  0  0  0  0
 11 12  2  0  0  0  0
 12  8  1  0  0  0  0
 13  7  1  0  0  0  0
 14 11  1  0  0  0  0
 15 13  1  0  0  0  0
 16 14  1  0  0  0  0
  5  6  2  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <Mol_ID> (5,198)
5198

>  <Formula> (5,198)
C10H11N3O2S

>  <MolWeight> (5,198)
237.27824

>  <COMPOUND_NAME> (5,198)
WAY-271906

>  <BAR_CODE_NO> (5,198)
397792

$$$$
WL-346128
csChFnd80/06171916332D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -2.0033    0.1709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0033    1.2751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9025   -0.9264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1075   -0.9264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1983    1.2751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1075    2.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1983    0.1709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9025   -2.0306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2082    0.1709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    2.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2082    1.2751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -0.9264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1983   -2.0306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3998    1.2751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3998    0.1709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -2.0306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9536   -2.0306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0544   -2.0306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0544   -0.9264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
 10 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
  5  7  1  0  0  0  0
  9 11  1  0  0  0  0
 14 15  2  0  0  0  0
M  END
>  <Mol_ID> (5,199)
5199

>  <Formula> (5,199)
C15H11NO3

>  <MolWeight> (5,199)
253.25274

>  <COMPOUND_NAME> (5,199)
WL-346128

>  <BAR_CODE_NO> (5,199)
90486747

$$$$
AY-30298
csChFnd80/06171916332D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -2.6294    0.7152    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.7386    1.9699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1412   -0.7280    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1710    0.6937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1970    1.9699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3874   -1.6658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6164   -0.8008    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1003    1.9142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5524    3.3060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5524    0.6338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3574   -3.2032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0941    3.3060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0941    0.6338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8735    1.9699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4109    1.9699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1688    0.6937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2288    3.3403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
  9 12  2  0  0  0  0
 10 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
  6  7  1  0  0  0  0
 13 14  2  0  0  0  0
M  END
>  <Mol_ID> (5,200)
5200

>  <Formula> (5,200)
C11H9NO4S

>  <MolWeight> (5,200)
251.25846

>  <COMPOUND_NAME> (5,200)
AY-30298

>  <BAR_CODE_NO> (5,200)
398426

$$$$
CL-112648
csChFnd80/06171916332D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -0.2625   -0.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1900   -0.1225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2625   -2.1631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4840    0.3220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1036   -1.3755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6555    1.3300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2040   -2.6286    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4700   -3.1256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9856    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6506   -1.3615    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1711    1.6555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6160    2.4746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9681   -2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6506   -1.4070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6366    3.1256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
  5  7  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (5,201)
5201

>  <Formula> (5,201)
C11H15NO2S

>  <MolWeight> (5,201)
225.3073

>  <COMPOUND_NAME> (5,201)
CL-112648

>  <BAR_CODE_NO> (5,201)
397940

$$$$
CL-400807
csChFnd80/06171916332D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -0.8771   -0.8202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3253    0.4419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2529   -0.9685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0598   -1.9305    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0402    0.5971    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1460    1.5591    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0736    0.1419    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8150   -2.2340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3057   -1.7823    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8609   -0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5184    1.4039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2367   -0.3581    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3426    2.5177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7954    0.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1712    1.0522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
  7 11  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <Mol_ID> (5,202)
5202

>  <Formula> (5,202)
C7H7N5O2S

>  <MolWeight> (5,202)
225.22778

>  <COMPOUND_NAME> (5,202)
CL-400807

>  <BAR_CODE_NO> (5,202)
90435924

$$$$
CL-415800
csChFnd80/06171916332D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -0.5943    1.0317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5943   -0.2614    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6264    1.4248    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7081    1.6800    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7081   -0.9062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6264   -0.6579    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3954    0.3938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8253    1.0248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8253   -0.2510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7081   -2.2027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6781    0.3938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9771    1.6283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3160   -0.7269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6781   -1.8372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6195   -0.7338    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <Mol_ID> (5,203)
5203

>  <Formula> (5,203)
C9H10N4O2

>  <MolWeight> (5,203)
206.2013

>  <COMPOUND_NAME> (5,203)
CL-415800

>  <BAR_CODE_NO> (5,203)
90436549

$$$$
CL-428692
csChFnd80/06171916332D

 25 27  0  0  0  0  0  0  0  0999 V2000
    0.0454   -1.7520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5023   -1.7520    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.8261   -0.4357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8124   -3.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3920   -0.4947    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4192   -2.9865    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3647   -0.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3420   -3.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9018    0.9622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8580   -0.9622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8716   -2.5009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1136   -1.7838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1409    0.8805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1046   -4.4480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9230    2.1196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2423   -0.3359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6477   -1.8019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6841    0.8624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6341   -4.4617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4208    1.8064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4283    3.5766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4511   -2.9684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4511    2.9548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4450    4.7294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9564    4.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  2  0  0  0  0
 12 17  1  0  0  0  0
 13 18  1  0  0  0  0
 14 19  1  0  0  0  0
 15 20  1  0  0  0  0
 15 21  2  0  0  0  0
 17 22  1  0  0  0  0
 20 23  2  0  0  0  0
 21 24  1  0  0  0  0
 23 25  1  0  0  0  0
  8 12  1  0  0  0  0
 10 11  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (5,204)
5204

>  <Formula> (5,204)
C19H21NO4S

>  <MolWeight> (5,204)
359.43934

>  <COMPOUND_NAME> (5,204)
CL-428692

>  <BAR_CODE_NO> (5,204)
295069

$$$$
CL-431739
csChFnd80/06171916332D

 24 27  0  0  0  0  0  0  0  0999 V2000
    0.2861   -0.1999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3242    0.3519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0723    0.0519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2861   -1.0240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1484    1.1519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1139    0.1002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2447    0.8554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5516   -0.6102    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0723   -1.2826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3242   -1.5826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6344    1.4140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7656    1.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7173    0.6518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2863   -0.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0378    1.1036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2447   -2.0860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1484   -2.3827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7999    2.2243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6035    2.5036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5001    0.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0760   -0.9585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8240    1.3554    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6344   -2.6378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6794   -0.3999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7 15  1  0  0  0  0
  9 16  1  0  0  0  0
 10 17  2  0  0  0  0
 11 18  1  0  0  0  0
 12 19  1  0  0  0  0
 13 20  1  0  0  0  0
 14 21  1  0  0  0  0
 15 22  3  0  0  0  0
 16 23  2  0  0  0  0
 20 24  1  0  0  0  0
  7 11  2  0  0  0  0
  8  9  1  0  0  0  0
 17 23  1  0  0  0  0
 21 24  1  0  0  0  0
M  END
>  <Mol_ID> (5,205)
5205

>  <Formula> (5,205)
C19H20N4O

>  <MolWeight> (5,205)
320.3883

>  <COMPOUND_NAME> (5,205)
CL-431739

>  <BAR_CODE_NO> (5,205)
295365

$$$$
CL-88633
csChFnd80/06171916332D

 15 16  0  0  0  0  0  0  0  0999 V2000
    0.6657    0.7565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6657   -0.7686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6657    1.5433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9972    1.5312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6657   -1.5312    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.9972   -1.5312    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6657    3.0926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9972    3.0805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6657   -3.0805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9972   -0.7565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9972   -3.0805    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6657    3.8552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6657   -3.8552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6657    5.4046    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.6657   -5.4046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  9 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  2  0  0  0  0
  8 12  2  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <Mol_ID> (5,206)
5206

>  <Formula> (5,206)
C11H11ClN2O

>  <MolWeight> (5,206)
222.67084

>  <COMPOUND_NAME> (5,206)
CL-88633

>  <BAR_CODE_NO> (5,206)
90611099

$$$$
GI-570482
csChFnd80/06171916332D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -0.5092    0.6982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2196    0.6982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5092   -0.2743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3390    1.1809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2196   -0.2743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0679    1.1809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3679   -0.7467    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3390   -0.7467    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1873    0.6982    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3701    2.1464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0679   -0.7467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9161    0.6982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1873   -0.2743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9161   -0.2743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0597   -0.7881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9390   -0.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8183   -0.7881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8528   -1.8053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7011   -0.2984    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  8 13  2  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
  5  7  1  0  0  0  0
  9 13  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <Mol_ID> (5,207)
5207

>  <Formula> (5,207)
C13H14N2O3S

>  <MolWeight> (5,207)
278.32686

>  <COMPOUND_NAME> (5,207)
GI-570482

>  <BAR_CODE_NO> (5,207)
90436654

$$$$
GI-578224
csChFnd80/06171916332D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.2861   -0.5175    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3861   -0.5175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3447   -0.3037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1620   -0.7486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9620   -1.4865    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9620    0.4445    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2898    0.7652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4898    0.2514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0861   -1.4865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0861    0.4445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4139    0.5307    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6447   -0.5175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6240   -2.4555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6447    1.4135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3380    0.5273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9070   -0.4486    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8898    1.4825    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0380   -0.4348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0139    1.4825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5588    0.5273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6553   -1.4037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5932    2.4514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (5,208)
5208

>  <Formula> (5,208)
C16H22N6

>  <MolWeight> (5,208)
298.38608

>  <COMPOUND_NAME> (5,208)
GI-578224

>  <BAR_CODE_NO> (5,208)
295304

$$$$
WAY-124236
csChFnd80/06171916332D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -0.5231   -0.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1870    0.2190    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5231   -1.0174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2373    0.2190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9054   -0.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1870    1.0442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1870   -1.4297    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2373   -1.4297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9515   -0.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9054   -1.0174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6274    0.2198    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9025    1.4567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9515   -1.0174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6198    1.0442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9025    2.2872    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  8 13  2  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
  7 10  2  0  0  0  0
  9 13  1  0  0  0  0
M  END
>  <Mol_ID> (5,209)
5209

>  <Formula> (5,209)
C10H8N2O3

>  <MolWeight> (5,209)
204.18212

>  <COMPOUND_NAME> (5,209)
WAY-124236

>  <BAR_CODE_NO> (5,209)
90470514

$$$$
WAY-218762-A
csChFnd80/06171916332D

 15 17  0  0  0  0  0  0  0  0999 V2000
    0.3450    0.1968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7347    0.1968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5757    1.1554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2550   -0.9653    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4036   -0.9929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4347    1.3554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7860    0.5864    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5653   -0.7446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7761   -1.0136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8036    1.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1067    0.7968    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8067   -1.3239    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.4761    0.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7653   -0.3446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1136   -0.3826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  2  0  0  0  0
 11 14  2  0  0  0  0
 14 15  1  0  0  0  0
  7  8  1  0  0  0  0
 10 13  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <Mol_ID> (5,210)
5210

>  <Formula> (5,210)
C11H9N3S

>  <MolWeight> (5,210)
215.27426

>  <COMPOUND_NAME> (5,210)
WAY-218762

>  <BAR_CODE_NO> (5,210)
90436548

$$$$
WAY-233690
csChFnd80/06171916332D

 34 39  0  0  0  0  0  0  0  0999 V2000
    0.1000    0.2548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7793    0.7686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000   -0.8245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7793    0.6755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4414    0.3893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7793    1.5548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7724   -1.2107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5897   -1.2107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4931    0.2962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7724    1.4893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1207    0.7686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4414   -0.4107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4414    1.9548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0483    1.9548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7724   -2.0038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4586   -0.8107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5897   -2.0107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3069   -0.8038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1793    0.7030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4414    1.9237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1207    1.5548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7793    0.3893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000   -2.3970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4586   -2.3832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1586    1.5237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9517    0.5168    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7793    1.9548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4586    0.7686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000   -3.1763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4517   -3.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8793    1.8030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3931    1.1686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4586    1.5548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7724   -3.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  2  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  2  0  0  0  0
  9 19  2  0  0  0  0
 10 20  1  0  0  0  0
 11 21  2  0  0  0  0
 11 22  1  0  0  0  0
 15 23  2  0  0  0  0
 15 24  1  0  0  0  0
 19 25  1  0  0  0  0
 19 26  1  0  0  0  0
 21 27  1  0  0  0  0
 22 28  2  0  0  0  0
 23 29  1  0  0  0  0
 24 30  2  0  0  0  0
 25 31  1  0  0  0  0
 26 32  1  0  0  0  0
 27 33  2  0  0  0  0
 29 34  2  0  0  0  0
 13 21  1  0  0  0  0
 17 23  1  0  0  0  0
 20 25  2  0  0  0  0
 28 33  1  0  0  0  0
 30 34  1  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <Mol_ID> (5,211)
5211

>  <Formula> (5,211)
C26H16O8

>  <MolWeight> (5,211)
456.40044

>  <COMPOUND_NAME> (5,211)
WAY-233690

>  <BAR_CODE_NO> (5,211)
90436758

$$$$
WAY-260671
csChFnd80/06171916332D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -1.4532   -0.0074    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1532   -0.3449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8157   -0.4907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8907   -1.2699    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2324   -1.1282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5907   -1.5907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9676    1.7301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0699   -0.1907    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2093    1.4718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7907    0.1301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1093    2.4926    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1093    0.7093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5843    1.9718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0468    0.5926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5468    1.2301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7676    0.8926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3676    0.4093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8676    1.6551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9324   -1.4449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6699   -2.3699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4093    0.4718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0157   -2.2282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3699   -2.6907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  9  1  0  0  0  0
  8  3  1  0  0  0  0
  9 13  1  0  0  0  0
 10  2  2  0  0  0  0
 11  7  2  0  0  0  0
 12 17  1  0  0  0  0
 13 18  2  0  0  0  0
 14  8  1  0  0  0  0
 15  7  1  0  0  0  0
 16 14  1  0  0  0  0
 17 16  2  0  0  0  0
 18 16  1  0  0  0  0
 19  5  1  0  0  0  0
 20  6  1  0  0  0  0
 21 15  1  0  0  0  0
 22 19  2  0  0  0  0
 23 20  2  0  0  0  0
  5  6  2  0  0  0  0
 22 23  1  0  0  0  0
 12  9  2  0  0  0  0
M  END
>  <Mol_ID> (5,212)
5212

>  <Formula> (5,212)
C17H14N2O3S

>  <MolWeight> (5,212)
326.36966

>  <COMPOUND_NAME> (5,212)
WAY-260671

>  <BAR_CODE_NO> (5,212)
90437097

$$$$
WAY-271403
csChFnd80/06171916332D

 19 21  0  0  0  0  0  0  0  0999 V2000
    3.7292    2.5208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5667    1.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7292    0.2333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792    0.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9250    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9042    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2542    1.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6292    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6500    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2375    0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9792    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0250    4.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5917    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9667    1.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  2  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11  4  2  0  0  0  0
 12  5  2  0  0  0  0
 13  8  2  0  0  0  0
 14  9  2  0  0  0  0
 15 10  1  0  0  0  0
 16 11  1  0  0  0  0
 17 16  2  0  0  0  0
 18 13  1  0  0  0  0
 19 18  2  0  0  0  0
  3  5  1  0  0  0  0
 17 12  1  0  0  0  0
 14 19  1  0  0  0  0
M  END
>  <Mol_ID> (5,213)
5213

>  <Formula> (5,213)
C16H14N2O

>  <MolWeight> (5,213)
250.29516

>  <COMPOUND_NAME> (5,213)
WAY-271403

>  <BAR_CODE_NO> (5,213)
397287

$$$$
WAY-271405
csChFnd80/06171916332D

 33 37  0  0  0  0  0  0  0  0999 V2000
    0.3625   -3.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3625   -2.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417   -3.3417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6167   -2.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1917   -1.9417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583   -3.4917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833   -3.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833   -2.2625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583   -1.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4375   -2.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7750   -1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0750   -2.6667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5625   -0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8917   -2.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2917   -1.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8125   -3.4917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583   -1.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8417   -3.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8417   -1.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6667   -1.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6625   -3.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1417    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583   -4.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1042   -1.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9417   -0.1917    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.6917   -1.3542    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7667   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3042   -3.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1167   -3.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9292    0.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5292   -2.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1375    1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  2  1  0  0  0  0
 10  4  1  0  0  0  0
 11  5  1  0  0  0  0
 12 20  1  0  0  0  0
 13 11  1  0  0  0  0
 14 12  1  0  0  0  0
 15 14  1  0  0  0  0
 16  7  2  0  0  0  0
 17  9  2  0  0  0  0
 18 10  1  0  0  0  0
 19 10  1  0  0  0  0
 20 19  1  0  0  0  0
 21 18  1  0  0  0  0
 22 13  2  0  0  0  0
 23  6  1  0  0  0  0
 24 15  2  0  0  0  0
 25 22  1  0  0  0  0
 26 24  1  0  0  0  0
 27 13  1  0  0  0  0
 28 14  2  0  0  0  0
 29 28  1  0  0  0  0
 30 22  1  0  0  0  0
 31 29  2  0  0  0  0
 32 27  2  0  0  0  0
 33 32  1  0  0  0  0
  8  9  1  0  0  0  0
  4  5  1  0  0  0  0
 21 12  1  0  0  0  0
 30 33  2  0  0  0  0
 24 31  1  0  0  0  0
M  END
>  <Mol_ID> (5,214)
5214

>  <Formula> (5,214)
C23H22Cl2N6O2

>  <MolWeight> (5,214)
485.36578

>  <COMPOUND_NAME> (5,214)
WAY-271405

>  <BAR_CODE_NO> (5,214)
397289

$$$$
WAY-271413
csChFnd80/06171916332D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -4.5958    2.5583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6958    1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3333    2.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    5.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8208    5.5167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5000    1.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8958    2.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5708    6.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    4.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4958    5.5125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708    3.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7458    6.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708    2.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8208    7.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0833    1.1833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4833    3.7083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6208    7.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    4.2042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8833    8.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7167    2.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9208    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6833    8.2042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2708    7.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5208    8.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3208    8.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2292    7.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7292    0.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1417    1.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  9  1  0  0  0  0
  5  4  2  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  5  1  0  0  0  0
  9 11  1  0  0  0  0
 10  4  1  0  0  0  0
 11 13  1  0  0  0  0
 12 10  1  0  0  0  0
 13  1  1  0  0  0  0
 14  8  1  0  0  0  0
 15  2  2  0  0  0  0
 16  3  2  0  0  0  0
 17 14  1  0  0  0  0
 18 11  2  0  0  0  0
 19 17  2  0  0  0  0
 20  7  1  0  0  0  0
 21  6  1  0  0  0  0
 22 19  1  0  0  0  0
 23 14  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 26 22  1  0  0  0  0
 27 21  2  0  0  0  0
 28 20  2  0  0  0  0
  6  7  2  0  0  0  0
 27 28  1  0  0  0  0
 12  8  2  0  0  0  0
 19 25  1  0  0  0  0
M  END
>  <Mol_ID> (5,215)
5215

>  <Formula> (5,215)
C20H15N3O4S

>  <MolWeight> (5,215)
393.4158

>  <COMPOUND_NAME> (5,215)
WAY-271413

>  <BAR_CODE_NO> (5,215)
397297

$$$$
WAY-271415
csChFnd80/06171916332D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -2.4458    3.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    3.3958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3583    4.6042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708    3.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6958    3.4708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5500    4.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1375    4.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    3.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708    4.6167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208    5.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4083    5.6167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0750    6.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3000    3.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    2.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2958    2.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7417    6.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5583    7.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2250    7.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792    7.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917    7.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  5  1  0  0  0  0
  8  4  1  0  0  0  0
  9  4  2  0  0  0  0
 10  6  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13  8  1  0  0  0  0
 14  8  1  0  0  0  0
 15  8  1  0  0  0  0
 16 12  2  0  0  0  0
 17 12  1  0  0  0  0
 18 17  2  0  0  0  0
 19 16  1  0  0  0  0
 20 18  1  0  0  0  0
  6  7  2  0  0  0  0
 20 19  2  0  0  0  0
M  END
>  <Mol_ID> (5,216)
5216

>  <Formula> (5,216)
C15H18N2O2S

>  <MolWeight> (5,216)
290.38062

>  <COMPOUND_NAME> (5,216)
WAY-271415

>  <BAR_CODE_NO> (5,216)
397299

$$$$
WAY-271445
csChFnd80/06171916332D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -1.5083   -0.2750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708    0.5458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0750   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958   -0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4917   -0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2125   -0.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7792   -0.2792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6375   -0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2125    0.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2042   -0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9208    0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9208   -0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3500   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4917   -1.5167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9167   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2042    0.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6375    0.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9167    0.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6292   -0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3500    0.9458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2083   -1.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292   -1.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3417   -1.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -1.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0667    0.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  1  1  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6  8  1  0  0  0  0
  7  1  1  0  0  0  0
  8 14  1  0  0  0  0
  9  4  1  0  0  0  0
 10  3  1  0  0  0  0
 11  6  1  0  0  0  0
 12 13  1  0  0  0  0
 13  7  2  0  0  0  0
 14 15  2  0  0  0  0
 15  9  1  0  0  0  0
 16  6  2  0  0  0  0
 17 11  2  0  0  0  0
 18 11  1  0  0  0  0
 19 20  1  0  0  0  0
 20 18  2  0  0  0  0
 21 17  1  0  0  0  0
 22 19  1  0  0  0  0
 23  7  1  0  0  0  0
 24  9  2  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 27 22  1  0  0  0  0
  2  4  1  0  0  0  0
 12 10  2  0  0  0  0
 14 26  1  0  0  0  0
 19 21  2  0  0  0  0
M  END
>  <Mol_ID> (5,217)
5217

>  <Formula> (5,217)
C22H19N3O2

>  <MolWeight> (5,217)
357.40516

>  <COMPOUND_NAME> (5,217)
WAY-271445

>  <BAR_CODE_NO> (5,217)
397330

$$$$
WAY-271449
csChFnd80/06171916332D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -1.1642    0.1405    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4142    0.9280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7517    1.4155    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3392    0.1405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0809    0.9280    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2017    1.1780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1483   -0.5220    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8642    0.6947    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4483   -1.1095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4517    1.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9691   -0.4428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5392    1.1780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2767    1.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1108   -1.8595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2733   -1.0220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6517   -0.5220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7483   -1.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5983   -0.2720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4684   -0.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4233   -0.1845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5733   -1.6095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9108   -0.8595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8  6  1  0  0  0  0
  9 11  1  0  0  0  0
 10  6  2  0  0  0  0
 11  7  1  0  0  0  0
 12  8  1  0  0  0  0
 13 10  1  0  0  0  0
 14  9  2  0  0  0  0
 15  9  1  0  0  0  0
 16  1  1  0  0  0  0
 17 15  2  0  0  0  0
 18 15  1  0  0  0  0
 19 16  1  0  0  0  0
 20 18  2  0  0  0  0
 21 17  1  0  0  0  0
 22 20  1  0  0  0  0
  3  5  1  0  0  0  0
 12 13  2  0  0  0  0
 22 21  2  0  0  0  0
M  END
>  <Mol_ID> (5,218)
5218

>  <Formula> (5,218)
C16H15N3OS2

>  <MolWeight> (5,218)
329.4398

>  <COMPOUND_NAME> (5,218)
WAY-271449

>  <BAR_CODE_NO> (5,218)
397334

$$$$
WAY-271450
csChFnd80/06171916332D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -1.3699    0.1741    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6199    0.9616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9574    1.4491    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5449    0.1741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2866    0.9616    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4074    1.2116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0574   -0.4884    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0699    0.7283    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2426   -1.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0676   -0.9884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6574    1.9991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7634   -0.4092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7449    1.2116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4824    1.9991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9051   -1.8259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8574   -0.4884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5426   -1.6634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3926   -0.2384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7051   -0.8259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2176   -0.1509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3676   -1.5759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5259   -0.7384    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.6741   -0.4009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8  6  1  0  0  0  0
  9 12  1  0  0  0  0
 10  9  1  0  0  0  0
 11  6  2  0  0  0  0
 12  7  1  0  0  0  0
 13  8  1  0  0  0  0
 14 11  1  0  0  0  0
 15  9  2  0  0  0  0
 16  1  1  0  0  0  0
 17 10  2  0  0  0  0
 18 10  1  0  0  0  0
 19 20  1  0  0  0  0
 20 18  2  0  0  0  0
 21 17  1  0  0  0  0
 22 19  1  0  0  0  0
 23 16  1  0  0  0  0
  3  5  1  0  0  0  0
 13 14  2  0  0  0  0
 19 21  2  0  0  0  0
M  END
>  <Mol_ID> (5,219)
5219

>  <Formula> (5,219)
C16H14ClN3OS2

>  <MolWeight> (5,219)
363.88486

>  <COMPOUND_NAME> (5,219)
WAY-271450

>  <BAR_CODE_NO> (5,219)
397335

$$$$
WAY-271454
csChFnd80/06171916332D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.7609   -0.6842    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4984   -0.3134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3859    0.5116    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1776   -0.0884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5651    0.6491    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6391   -0.2009    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9766    0.3366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2359   -0.7009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1516    0.4533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6984   -1.4759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2891   -0.4342    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4891    0.9866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6151   -1.5009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9984   -1.9134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6651   -0.6467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9359   -0.2592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2609   -1.5259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3099    0.8658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1766    1.7491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2526   -2.0259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6849    2.4033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8224    1.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5099    2.2908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  4  1  0  0  0  0
  7  9  1  0  0  0  0
  8  2  1  0  0  0  0
  9  6  1  0  0  0  0
 10 14  1  0  0  0  0
 11  7  2  0  0  0  0
 12  7  1  0  0  0  0
 13  1  1  0  0  0  0
 14 17  2  0  0  0  0
 15 16  1  0  0  0  0
 16  8  2  0  0  0  0
 17  8  1  0  0  0  0
 18 12  2  0  0  0  0
 19 12  1  0  0  0  0
 20 13  1  0  0  0  0
 21 19  2  0  0  0  0
 22 18  1  0  0  0  0
 23 21  1  0  0  0  0
  3  5  1  0  0  0  0
 10 15  2  0  0  0  0
 23 22  2  0  0  0  0
M  END
>  <Mol_ID> (5,220)
5220

>  <Formula> (5,220)
C17H16N4OS

>  <MolWeight> (5,220)
324.40014

>  <COMPOUND_NAME> (5,220)
WAY-271454

>  <BAR_CODE_NO> (5,220)
397339

$$$$
WAY-271469
csChFnd80/06171916332D

 23 26  0  0  0  0  0  0  0  0999 V2000
    1.9042   -1.1917    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.3292   -0.4875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.9917   -0.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4667   -1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7625    0.1125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792   -1.0292    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.2375   -1.4667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1417   -0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3000   -2.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7667   -0.1042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667   -1.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667    1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833    1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583    1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083    1.4125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.6417   -2.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3250   -1.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458   -1.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292   -2.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7750   -2.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  6  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8  2  1  0  0  0  0
  9  3  1  0  0  0  0
 10  4  2  0  0  0  0
 11  8  2  0  0  0  0
 12  6  1  0  0  0  0
 13  9  1  0  0  0  0
 14  9  2  0  0  0  0
 15 17  2  0  0  0  0
 16 13  2  0  0  0  0
 17 14  1  0  0  0  0
 18 15  1  0  0  0  0
 19 12  1  0  0  0  0
 20 12  2  0  0  0  0
 21 20  1  0  0  0  0
 22 19  2  0  0  0  0
 23 21  2  0  0  0  0
  8  7  1  0  0  0  0
  3  5  1  0  0  0  0
 23 22  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (5,221)
5221

>  <Formula> (5,221)
C17H13ClN2O3

>  <MolWeight> (5,221)
328.74972

>  <COMPOUND_NAME> (5,221)
WAY-271469

>  <BAR_CODE_NO> (5,221)
397354

$$$$
WAY-271475
csChFnd80/06171916332D

 18 20  0  0  0  0  0  0  0  0999 V2000
    3.7750    4.7042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5167    5.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7750    6.9417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    5.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1917    3.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    6.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2625    2.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7292    6.5292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6792    1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    7.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9042    2.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0792    1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7042    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292    1.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3500    0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  2  0  0  0  0
  7  5  1  0  0  0  0
  8  2  2  0  0  0  0
  9  7  1  0  0  0  0
 10  4  1  0  0  0  0
 11  6  1  0  0  0  0
 12  7  2  0  0  0  0
 13  9  1  0  0  0  0
 14  9  2  0  0  0  0
 15 10  2  0  0  0  0
 16 15  1  0  0  0  0
 17 12  1  0  0  0  0
 18 17  2  0  0  0  0
  6  3  1  0  0  0  0
 16 11  2  0  0  0  0
 18 14  1  0  0  0  0
M  END
>  <Mol_ID> (5,222)
5222

>  <Formula> (5,222)
C15H14N2O

>  <MolWeight> (5,222)
238.28446

>  <COMPOUND_NAME> (5,222)
WAY-271475

>  <BAR_CODE_NO> (5,222)
397360

$$$$
WAY-271484
csChFnd80/06171916332D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -2.9510    2.7253    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9522    1.8970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2365    1.4837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5193    1.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5222    2.7289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2384    3.1385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8097    1.4864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7206    0.6711    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0813    0.4994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4925    1.2091    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0555    1.8193    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3337    0.1177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1195    0.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4161   -0.2556    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0046   -0.9664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042   -1.6797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1840   -2.2637    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2301   -1.6797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6412   -2.3973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4664   -2.3977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8802   -1.6818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4628   -0.9642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6390   -0.9674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2269   -3.1118    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7061   -1.6807    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11  7  2  0  0  0  0
  8 12  1  0  0  0  0
 12 13  1  0  0  0  0
  9 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 18  1  0  0  0  0
 19 24  1  0  0  0  0
 21 25  1  0  0  0  0
M  END
>  <Mol_ID> (5,223)
5223

>  <Formula> (5,223)
C17H14Cl2N4OS

>  <MolWeight> (5,223)
393.29026

>  <COMPOUND_NAME> (5,223)
WAY-271484

>  <BAR_CODE_NO> (5,223)
397369

$$$$
WAY-271485
csChFnd80/06171916332D

 24 26  0  0  0  0  0  0  0  0999 V2000
    1.4167   -0.1917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3375    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0917    0.9625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2292   -0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6417    0.3458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6250    1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2375   -2.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5667   -3.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5667   -1.1292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333    0.7083    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4125   -2.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3917   -3.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7167   -1.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417    1.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0792   -1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6750    1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2625    2.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9292   -3.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8042   -0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8792   -2.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0792   -4.0667    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5417   -2.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7042   -2.9125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0167   -0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  2  1  0  0  0  0
  7 11  1  0  0  0  0
  8  7  2  0  0  0  0
  9  4  1  0  0  0  0
 10  6  1  0  0  0  0
 11 15  1  0  0  0  0
 12  8  1  0  0  0  0
 13  7  1  0  0  0  0
 14  6  2  0  0  0  0
 15  9  1  0  0  0  0
 16 10  1  0  0  0  0
 17 14  1  0  0  0  0
 18 11  2  0  0  0  0
 19  1  1  0  0  0  0
 20 22  1  0  0  0  0
 21  8  1  0  0  0  0
 22 13  2  0  0  0  0
 23 20  1  0  0  0  0
 24 19  1  0  0  0  0
  3  5  1  0  0  0  0
 16 17  2  0  0  0  0
 20 12  2  0  0  0  0
M  END
>  <Mol_ID> (5,224)
5224

>  <Formula> (5,224)
C16H13Cl2N3OS2

>  <MolWeight> (5,224)
398.32992

>  <COMPOUND_NAME> (5,224)
WAY-271485

>  <BAR_CODE_NO> (5,224)
397370

$$$$
WAY-271487
csChFnd80/06171916332D

 20 21  0  0  0  0  0  0  0  0999 V2000
    1.5792   -2.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667   -2.2000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.5792   -3.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1625   -3.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667   -3.8500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1625   -2.6167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667   -1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3000   -2.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5583   -3.8542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1625   -0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3042   -1.3792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0125   -2.6167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3000   -3.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5583   -1.3792    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.5875   -0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542   -0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7292   -2.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5875   -0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4417   -2.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8750    0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  5  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  2  1  0  0  0  0
  8  1  1  0  0  0  0
  9  4  2  0  0  0  0
 10  7  1  0  0  0  0
 11  8  2  0  0  0  0
 12  8  1  0  0  0  0
 13  3  1  0  0  0  0
 14 10  1  0  0  0  0
 15  7  2  0  0  0  0
 16 10  2  0  0  0  0
 17 12  1  0  0  0  0
 18 15  1  0  0  0  0
 19 17  1  0  0  0  0
 20 18  2  0  0  0  0
  4  6  1  0  0  0  0
 20 16  1  0  0  0  0
M  END
>  <Mol_ID> (5,225)
5225

>  <Formula> (5,225)
C14H15FN2O2S

>  <MolWeight> (5,225)
294.3445032

>  <COMPOUND_NAME> (5,225)
WAY-271487

>  <BAR_CODE_NO> (5,225)
397372

$$$$
WAY-271513
csChFnd80/06171916332D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.5000   -0.7167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2625   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0625    0.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833    0.6833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0542   -0.3000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4792    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1000   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0375    0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6167    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7833   -1.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000   -0.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208   -1.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9000    0.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7167    1.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1375    2.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2792    2.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4542    1.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7000    3.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6208   -0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1000   -1.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2625   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8000   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  4  1  0  0  0  0
  7 10  1  0  0  0  0
  8  2  1  0  0  0  0
  9  7  1  0  0  0  0
 10  6  1  0  0  0  0
 11 20  2  0  0  0  0
 12  7  2  0  0  0  0
 13  1  1  0  0  0  0
 14  9  2  0  0  0  0
 15  9  1  0  0  0  0
 16 17  1  0  0  0  0
 17 15  2  0  0  0  0
 18 14  1  0  0  0  0
 19 16  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  2  0  0  0  0
 22  8  1  0  0  0  0
 23  8  2  0  0  0  0
  3  5  1  0  0  0  0
 21 11  1  0  0  0  0
 16 18  2  0  0  0  0
M  END
>  <Mol_ID> (5,226)
5226

>  <Formula> (5,226)
C16H13FN4OS

>  <MolWeight> (5,226)
328.3640232

>  <COMPOUND_NAME> (5,226)
WAY-271513

>  <BAR_CODE_NO> (5,226)
397399

$$$$
WAY-271514
csChFnd80/06171916332D

 24 26  0  0  0  0  0  0  0  0999 V2000
    1.6042   -1.3417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542   -1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9375   -0.1917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1542   -0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7417   -0.0167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6167   -0.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4417   -1.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9792   -0.8125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.1417   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9250   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2792   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1417   -1.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3167   -1.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2875   -2.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4792   -2.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792   -2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5875    0.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7792   -1.8167    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.7625    0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0667    1.0333    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.5750   -2.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2875   -1.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1417   -2.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5750   -1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  9  1  0  0  0  0
  7  6  2  0  0  0  0
  8  4  1  0  0  0  0
  9 13  1  0  0  0  0
 10  7  1  0  0  0  0
 11  6  1  0  0  0  0
 12  2  1  0  0  0  0
 13  8  1  0  0  0  0
 14 22  2  0  0  0  0
 15  9  2  0  0  0  0
 16  1  1  0  0  0  0
 17 19  1  0  0  0  0
 18  7  1  0  0  0  0
 19 11  2  0  0  0  0
 20 17  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 12  1  0  0  0  0
 24 12  2  0  0  0  0
  3  5  1  0  0  0  0
 14 21  1  0  0  0  0
 17 10  2  0  0  0  0
M  END
>  <Mol_ID> (5,227)
5227

>  <Formula> (5,227)
C16H12Cl2N4OS

>  <MolWeight> (5,227)
379.26368

>  <COMPOUND_NAME> (5,227)
WAY-271514

>  <BAR_CODE_NO> (5,227)
397400

$$$$
WAY-271516
csChFnd80/06171916332D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -1.0254    0.6609    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2837    1.4484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6129    1.9359    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2004    0.6609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0538    1.4484    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0629    1.7026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2496   -1.3391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7288   -2.0141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2788   -0.0016    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7337    1.2234    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4288   -1.4266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5538   -1.9266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5788   -0.5891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3212    2.4901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0587   -0.7599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4004    1.7026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1462    2.4901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0913   -2.1766    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5129   -0.0016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8913   -1.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3913   -2.7641    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3996   -0.5016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7121   -1.0891    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  2  1  0  0  0  0
  7 11  1  0  0  0  0
  8  7  2  0  0  0  0
  9  4  1  0  0  0  0
 10  6  1  0  0  0  0
 11 15  1  0  0  0  0
 12  8  1  0  0  0  0
 13  7  1  0  0  0  0
 14  6  2  0  0  0  0
 15  9  1  0  0  0  0
 16 10  1  0  0  0  0
 17 14  1  0  0  0  0
 18 11  2  0  0  0  0
 19  1  1  0  0  0  0
 20 22  1  0  0  0  0
 21  8  1  0  0  0  0
 22 13  2  0  0  0  0
 23 20  1  0  0  0  0
  3  5  1  0  0  0  0
 16 17  2  0  0  0  0
 20 12  2  0  0  0  0
M  END
>  <Mol_ID> (5,228)
5228

>  <Formula> (5,228)
C15H11Cl2N3OS2

>  <MolWeight> (5,228)
384.30334

>  <COMPOUND_NAME> (5,228)
WAY-271516

>  <BAR_CODE_NO> (5,228)
397402

$$$$
WAY-311052
csChFnd80/06171916332D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.3138    0.1517    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.2621   -0.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3138    0.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8966   -0.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2621   -0.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8414    0.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1379    1.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7621    1.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8966   -0.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4517    0.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3138   -1.1655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8414   -1.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4241   -0.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8414    0.8034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3138    1.9379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8379    1.6345    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4621   -1.1621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0241    0.4586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4241   -0.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4931   -1.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0552   -0.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  2  0  0  0  0
  7 15  2  0  0  0  0
  8 16  1  0  0  0  0
  9 17  1  0  0  0  0
 10 18  3  0  0  0  0
 12 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
  9 11  1  0  0  0  0
 13 19  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (5,229)
5229

>  <Formula> (5,229)
C16H16N2O2S

>  <MolWeight> (5,229)
300.37544

>  <COMPOUND_NAME> (5,229)
WAY-311052

>  <BAR_CODE_NO> (5,229)
3915394

$$$$
WAY-311152-A
csChFnd80/06171916332D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.4552   -0.0934    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0241   -0.0934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1759    0.3963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1759   -0.5831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3034    0.3963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3862    0.3963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3862   -0.5831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0241    0.8859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8655    0.3963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6759   -0.0934    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3034    1.3756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1448    0.8859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2345   -0.0934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8655    1.3756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5138   -0.5831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1448    1.8549    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2345   -1.0727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0862   -0.5831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5138   -1.5555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3655   -1.0727    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0862   -1.5555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
  7 10  1  0  0  0  0
 12 14  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (5,230)
5230

>  <Formula> (5,230)
C17H20FN3

>  <MolWeight> (5,230)
285.3592032

>  <COMPOUND_NAME> (5,230)
WAY-311152-A

>  <BAR_CODE_NO> (5,230)
3915509

$$$$
WAY-313311
csChFnd80/06171916332D

 22 23  0  0  0  0  0  0  0  0999 V2000
    0.2379   -0.1034    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.3448   -0.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2379    0.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8172   -0.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3448   -1.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9241   -0.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8034    0.8793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3310    0.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8172   -1.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3897   -0.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2379   -1.4207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9241   -1.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5069   -0.4345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9241    0.4655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8172    1.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3552    0.5414    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.3241    1.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3897   -1.4069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9414    0.2069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0448   -0.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2552    1.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6241   -0.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  2  0  0  0  0
  7 15  2  0  0  0  0
  7 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 18  1  0  0  0  0
 10 19  3  0  0  0  0
 13 20  1  0  0  0  0
 15 21  1  0  0  0  0
 20 22  1  0  0  0  0
  9 11  1  0  0  0  0
 17 21  2  0  0  0  0
M  END
>  <Mol_ID> (5,231)
5231

>  <Formula> (5,231)
C16H15ClN2O3

>  <MolWeight> (5,231)
318.7549

>  <COMPOUND_NAME> (5,231)
WAY-313311

>  <BAR_CODE_NO> (5,231)
3918175

$$$$
CL-302396
csChFnd80/06171916332D

 18 20  0  0  0  0  0  0  0  0999 V2000
    1.4460    1.1342    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1988    2.0033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4655   -0.4053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6893    2.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2433    1.5044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6470    3.4805    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1286   -1.1848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8101   -1.1342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2021    3.4805    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1664    1.5629    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4009    2.5217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5356    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1559   -2.7010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8296   -2.6698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8585    2.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0089   -0.4677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5122   -3.4805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1664    0.5184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 15 18  1  0  0  0  0
  6  9  1  0  0  0  0
 14 17  1  0  0  0  0
 16 18  2  0  0  0  0
M  END
>  <Mol_ID> (5,232)
5232

>  <Formula> (5,232)
C14H17N3S

>  <MolWeight> (5,232)
259.36988

>  <COMPOUND_NAME> (5,232)
CL-302396

>  <BAR_CODE_NO> (5,232)
3916312

$$$$
WAY-311697
csChFnd80/06171916332D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -1.6586    0.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8172    0.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9000   -0.2759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0690    1.5931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4690   -0.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3276    1.7517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1517    0.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1586   -1.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0517    1.3345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6276   -0.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4897    1.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1724   -0.4379    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1379    0.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1931    0.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1828   -0.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1828   -1.6483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    0.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1621   -2.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1828   -0.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1828   -1.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
 10 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
  7  9  2  0  0  0  0
 11 13  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (5,233)
5233

>  <Formula> (5,233)
C16H15N3S

>  <MolWeight> (5,233)
281.3754

>  <COMPOUND_NAME> (5,233)
WAY-311697

>  <BAR_CODE_NO> (5,233)
3916163

$$$$
WAY-313356
csChFnd80/06171916332D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -2.7114   -0.1974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7126   -0.7956    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1936   -1.0960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6688   -0.7952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6717   -0.1938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1954    0.1028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1558    0.1109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6081   -0.1304    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2102    0.3155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5107    0.8355    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0998    0.7045    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4558   -0.7058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8808   -1.1289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7249   -1.7037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1495   -1.8596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2739   -1.4346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1191   -0.8621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3859    0.3192    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8109    0.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3900    0.5942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3900   -0.0058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9109    0.8984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4353    0.5971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9515    0.8965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9078    1.4921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4252    1.7979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9492    1.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
 13 14  1  0  0  0  0
  5  7  1  0  0  0  0
 14 15  2  0  0  0  0
 10 11  1  0  0  0  0
 15 16  1  0  0  0  0
  3  4  2  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
  8  9  1  0  0  0  0
  9 18  1  0  0  0  0
 18 19  1  0  0  0  0
  4  5  1  0  0  0  0
 19 20  1  0  0  0  0
  2  3  1  0  0  0  0
 20 21  2  0  0  0  0
  7  8  1  0  0  0  0
 20 22  1  0  0  0  0
  9 10  2  0  0  0  0
 22 23  2  0  0  0  0
 11  7  2  0  0  0  0
 23 24  1  0  0  0  0
 24 27  2  0  0  0  0
  5  6  2  0  0  0  0
 26 25  2  0  0  0  0
 25 22  1  0  0  0  0
 26 27  1  0  0  0  0
  8 12  1  0  0  0  0
  6  1  1  0  0  0  0
 12 13  2  0  0  0  0
M  END
>  <Mol_ID> (5,234)
5234

>  <Formula> (5,234)
C21H16N4OS

>  <MolWeight> (5,234)
372.44294

>  <COMPOUND_NAME> (5,234)
WAY-313356

>  <BAR_CODE_NO> (5,234)
3918238

$$$$
WAY-310955
csChFnd80/06171916332D

 26 28  0  0  0  0  0  0  0  0999 V2000
    1.2724    0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8828   -0.5276    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.0276    0.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0966    0.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0586   -0.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3241   -1.2241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2241    1.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5862    1.5931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5310   -0.4655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4828    0.9586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3241   -1.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3793    0.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1483   -1.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0207    1.9517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3310    0.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1483   -1.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2034    0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5862   -1.8931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8241    2.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1345    0.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5897   -0.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9483   -1.5241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3828    1.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4138   -0.6448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6655   -1.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8552    0.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
  6 13  1  0  0  0  0
  7 14  2  0  0  0  0
  7 15  1  0  0  0  0
 11 16  2  0  0  0  0
 12 17  1  0  0  0  0
 13 18  2  0  0  0  0
 14 19  1  0  0  0  0
 15 20  2  0  0  0  0
 16 21  1  0  0  0  0
 16 22  1  0  0  0  0
 19 23  2  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
 24 26  1  0  0  0  0
  9 13  1  0  0  0  0
 17 21  2  0  0  0  0
 20 23  1  0  0  0  0
M  END
>  <Mol_ID> (5,235)
5235

>  <Formula> (5,235)
C20H20N2O4

>  <MolWeight> (5,235)
352.3838

>  <COMPOUND_NAME> (5,235)
WAY-310955

>  <BAR_CODE_NO> (5,235)
3915268

$$$$
WAY-134296
csChFnd80/06171916332D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.5667   -2.2298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8843   -1.4697    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.5667   -3.7455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7740   -1.4282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8843    0.0645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1973   -2.2298    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8843   -4.5057    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7740   -4.5472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0640   -2.1884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7740    0.1060    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5390    0.8385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1835    0.8385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1973   -3.7455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4092   -1.4282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5252    2.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1835    2.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5426   -4.5195    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.7361   -2.1745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8843    3.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5989    3.4276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5710    4.6209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0783    4.7729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
  6 13  1  0  0  0  0
  9 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12 16  1  0  0  0  0
 13 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 15 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
  7 13  1  0  0  0  0
 16 19  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (5,236)
5236

>  <Formula> (5,236)
C15H16N2O4S

>  <MolWeight> (5,236)
320.36354

>  <COMPOUND_NAME> (5,236)
WAY-134296

>  <BAR_CODE_NO> (5,236)
3917516

$$$$
WAY-311462
csChFnd80/06171916332D

 28 30  0  0  0  0  0  0  0  0999 V2000
    0.4345   -0.1103    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.6897    0.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1034   -0.5897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3517   -0.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2034    1.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5172    0.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7690   -0.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1034   -1.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9621    0.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5172   -1.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5966    1.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4828    2.1241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.3483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5552   -0.3621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6862   -1.9897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7448   -0.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2966   -1.4276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8172    0.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1828    1.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4793   -1.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9172   -0.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6172    0.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9828    1.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0655   -2.3586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6897   -0.9793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2034    0.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0034    0.5172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5828    1.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
  6 13  1  0  0  0  0
  7 14  2  0  0  0  0
  8 15  1  0  0  0  0
  9 16  1  0  0  0  0
 10 17  2  0  0  0  0
 11 18  1  0  0  0  0
 11 19  2  0  0  0  0
 15 20  1  0  0  0  0
 16 21  2  0  0  0  0
 18 22  2  0  0  0  0
 19 23  1  0  0  0  0
 20 24  1  0  0  0  0
 20 25  2  0  0  0  0
 22 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
  6  7  1  0  0  0  0
 17 21  1  0  0  0  0
 23 26  2  0  0  0  0
M  END
>  <Mol_ID> (5,237)
5237

>  <Formula> (5,237)
C20H18N2O6

>  <MolWeight> (5,237)
382.36672

>  <COMPOUND_NAME> (5,237)
WAY-311462

>  <BAR_CODE_NO> (5,237)
3915851

$$$$
WAY-310301
csChFnd80/06171916332D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -1.3241   -0.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2069   -0.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5966   -0.6586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0345    0.7414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4345   -1.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8552    0.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1552   -0.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1172    0.7517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3345   -1.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7345    0.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0345   -0.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9862   -0.8379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7138    0.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8655   -1.0690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5655   -0.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1172   -1.9793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2241    0.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7759   -0.9379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1138    0.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0241    1.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7655    0.9414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6759    2.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5655    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  9 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 17 19  2  0  0  0  0
 17 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
  7  8  2  0  0  0  0
 10 12  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (5,238)
5238

>  <Formula> (5,238)
C17H14N2O3S

>  <MolWeight> (5,238)
326.36966

>  <COMPOUND_NAME> (5,238)
WAY-310301

>  <BAR_CODE_NO> (5,238)
3914502

$$$$
WAY-311362
csChFnd80/06171916332D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -0.6034    0.0621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0483    0.6724    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.3483   -0.7276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4103    0.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3034    1.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7586    0.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9103   -1.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4517   -0.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9655   -0.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6621    1.0276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1103    1.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1103    2.1862    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0138   -0.2897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3138    1.1103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6621   -2.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7103   -1.6759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5241   -0.9862    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5724    0.1862    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3517   -0.9276    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1966    2.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4517    2.7966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8241   -0.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1517   -2.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2345   -1.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3759    0.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0379   -1.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1276   -0.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  2  0  0  0  0
  7 15  1  0  0  0  0
  8 16  2  0  0  0  0
  9 17  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
 11 20  1  0  0  0  0
 12 21  1  0  0  0  0
 13 22  1  0  0  0  0
 15 23  2  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 16 23  1  0  0  0  0
 20 21  2  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (5,239)
5239

>  <Formula> (5,239)
C19H19F3N2O2S

>  <MolWeight> (5,239)
396.4265696

>  <COMPOUND_NAME> (5,239)
WAY-311362

>  <BAR_CODE_NO> (5,239)
3915741

$$$$
WAY-311998
csChFnd80/06171916332D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -0.8500   -0.4965    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8500    0.4868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7375   -1.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7375    0.9993    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6041   -0.4965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6041    0.4868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0041    0.9993    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7375   -1.9923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292    0.9993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542    0.4993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0041   -1.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292    2.0202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6084    0.4993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542   -0.4965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292   -1.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4791   -1.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4791    0.9993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4834    0.9993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6084   -0.4965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3416   -0.4965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3416    0.4868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3459    0.4993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4834   -1.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3459   -0.4965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  2  0  0  0  0
  7  2  1  0  0  0  0
  8  3  2  0  0  0  0
  9 10  1  0  0  0  0
 10  7  1  0  0  0  0
 11  1  1  0  0  0  0
 12  9  2  0  0  0  0
 13  9  1  0  0  0  0
 14 11  1  0  0  0  0
 15 14  2  0  0  0  0
 16  5  1  0  0  0  0
 17  6  1  0  0  0  0
 18 13  2  0  0  0  0
 19 13  1  0  0  0  0
 20 16  2  0  0  0  0
 21 17  2  0  0  0  0
 22 18  1  0  0  0  0
 23 19  2  0  0  0  0
 24 23  1  0  0  0  0
  6  4  1  0  0  0  0
 20 21  1  0  0  0  0
 24 22  2  0  0  0  0
M  END
>  <Mol_ID> (5,240)
5240

>  <Formula> (5,240)
C19H16N2O2S

>  <MolWeight> (5,240)
336.40754

>  <COMPOUND_NAME> (5,240)
WAY-311998

>  <BAR_CODE_NO> (5,240)
3916550

$$$$
WAY-311141-A
csChFnd80/06171916332D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.7103    1.5034    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.2621    2.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4724    0.7897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4586    1.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4793    2.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5724    2.7966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0759    0.3517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6828    0.7897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9241    2.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1241    3.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0759   -0.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6172    3.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4345   -0.7724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4345   -1.5207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2172   -1.8966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0759   -1.8966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2172   -2.6483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8655   -1.5207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8655   -3.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5172   -1.8966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5172   -2.6483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1655   -3.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
  7  8  1  0  0  0  0
 10 12  2  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (5,241)
5241

>  <Formula> (5,241)
C20H23NO

>  <MolWeight> (5,241)
293.40272

>  <COMPOUND_NAME> (5,241)
WAY-311141-A

>  <BAR_CODE_NO> (5,241)
3915493

$$$$
WAY-311207-A
csChFnd80/06171916332D

 26 28  0  0  0  0  0  0  0  0999 V2000
    0.5862    0.2379    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.3276    0.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2034    0.8759    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.2276   -0.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6862    0.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6862   -0.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5138    0.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5655    1.5172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6000   -1.0310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4034    0.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4276   -0.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8724    1.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8966    0.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2483   -1.6621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3276   -1.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7655    0.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6138    1.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6138    0.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6034   -2.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7000   -1.6621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9724    0.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3379   -2.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6966    0.8759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0586    0.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6966   -0.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7724    0.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  2  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 12 17  2  0  0  0  0
 13 18  1  0  0  0  0
 14 19  1  0  0  0  0
 15 20  1  0  0  0  0
 17 21  1  0  0  0  0
 19 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 11 16  2  0  0  0  0
 18 21  2  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (5,242)
5242

>  <Formula> (5,242)
C23H31NO2

>  <MolWeight> (5,242)
353.49774

>  <COMPOUND_NAME> (5,242)
WAY-311207-A

>  <BAR_CODE_NO> (5,242)
3915573

$$$$
WAY-311727
csChFnd80/06171916332D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -2.6068    0.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9206    0.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6068   -0.6205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4412    0.8036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9206   -0.6205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0344    0.8312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7619   -1.1067    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4412   -1.1067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2826    0.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8277    0.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0206    1.9347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2826   -0.6205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7106    0.8588    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8277   -0.6929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5967    0.3623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5830   -0.6722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4933    0.8588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4794   -1.2171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4071    0.3623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3933   -0.6929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  6 10  1  0  0  0  0
  6 11  2  0  0  0  0
  8 12  2  0  0  0  0
 10 13  1  0  0  0  0
 10 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
  5  7  1  0  0  0  0
  9 12  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (5,243)
5243

>  <Formula> (5,243)
C16H12N2O2

>  <MolWeight> (5,243)
264.27868

>  <COMPOUND_NAME> (5,243)
WAY-311727

>  <BAR_CODE_NO> (5,243)
3916201

$$$$
WAY-312319
csChFnd80/06171916332D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -2.9379   -0.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8483    0.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5862   -0.5414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2207   -2.0172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4276    1.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1793    0.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0310   -1.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0414   -2.6966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3379    2.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0897    1.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3000   -2.0690    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6724    2.3483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2103   -1.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5414   -1.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4517   -0.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9621   -2.6345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7828   -0.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0310    0.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6931    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9414    1.9759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2724    1.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1862    2.7069    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 21 22  1  0  0  0  0
  7  8  2  0  0  0  0
 10 12  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (5,244)
5244

>  <Formula> (5,244)
C15H10FN3O2S

>  <MolWeight> (5,244)
315.3222032

>  <COMPOUND_NAME> (5,244)
WAY-312319

>  <BAR_CODE_NO> (5,244)
3916939

$$$$
WAY-345285
csChFnd80/06171916332D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -0.8310   -0.9036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6586   -0.0830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3414   -0.5692    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3931   -2.0036    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3552    1.0964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7552   -0.5968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6414    0.5653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5690   -1.8071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1931    1.3929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1793    1.9584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7793    0.8653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4690   -2.6450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6207    0.0412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0793    2.0205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6069   -2.2968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7931    0.3343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207   -1.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2517    2.3412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0828    1.4722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  2  0  0  0  0
 16 19  2  0  0  0  0
  6  8  2  0  0  0  0
  7  9  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (5,245)
5245

>  <Formula> (5,245)
C15H13NO2S

>  <MolWeight> (5,245)
271.33422

>  <COMPOUND_NAME> (5,245)
WAY-345285

>  <BAR_CODE_NO> (5,245)
2555162

$$$$
WAY-344169
csChFnd80/06171916332D

 24 26  0  0  0  0  0  0  0  0999 V2000
    6.5542   -6.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6667   -5.5750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6792   -7.3042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1542   -8.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4792   -6.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8667   -7.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6875   -6.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5167   -7.5625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4292   -8.6792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5125   -9.7792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   15.3542  -14.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2917   -7.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5042   -5.4542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9917  -13.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4667   -8.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0750   -9.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3542  -12.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9917  -15.3667    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.0667  -14.2417    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.6792   -8.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4250  -10.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3542   -9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0667  -12.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -10.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  8  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  5  1  0  0  0  0
  8 12  1  0  0  0  0
  9  4  1  0  0  0  0
 10  4  2  0  0  0  0
 11 14  1  0  0  0  0
 12  7  2  0  0  0  0
 13  1  2  0  0  0  0
 14 17  1  0  0  0  0
 15  6  1  0  0  0  0
 16  9  1  0  0  0  0
 17 24  1  0  0  0  0
 18 11  1  0  0  0  0
 19 11  1  0  0  0  0
 20 15  2  0  0  0  0
 21 16  2  0  0  0  0
 22 16  1  0  0  0  0
 23 21  1  0  0  0  0
 24 22  2  0  0  0  0
  5  6  2  0  0  0  0
 12 20  1  0  0  0  0
 17 23  2  0  0  0  0
M  END
>  <Mol_ID> (5,246)
5246

>  <Formula> (5,246)
C15H12F2N4O2S

>  <MolWeight> (5,246)
350.3431864

>  <COMPOUND_NAME> (5,246)
WAY-344169

>  <BAR_CODE_NO> (5,246)
2554351

$$$$
WAY-345115
csChFnd80/06171916332D

 15 16  0  0  0  0  0  0  0  0999 V2000
    5.2167   -2.9792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4750   -3.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3917   -2.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1375   -3.7667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.2542   -4.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8042   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9125   -2.3125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4292   -4.8292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8750   -3.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9500   -0.9750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6542   -3.7292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2500   -1.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0917   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6042   -1.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7667   -0.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  2  2  0  0  0  0
  7  3  1  0  0  0  0
  8  5  2  0  0  0  0
  9  5  1  0  0  0  0
 10 14  1  0  0  0  0
 11  9  1  0  0  0  0
 12  7  1  0  0  0  0
 13  7  1  0  0  0  0
 14 13  1  0  0  0  0
 15 12  1  0  0  0  0
  6  4  1  0  0  0  0
 10 15  1  0  0  0  0
M  END
>  <Mol_ID> (5,247)
5247

>  <Formula> (5,247)
C8H12N4O2S

>  <MolWeight> (5,247)
228.27148

>  <COMPOUND_NAME> (5,247)
WAY-345115

>  <BAR_CODE_NO> (5,247)
2555442

$$$$
WAY-311614
csChFnd80/06171916332D

 37 42  0  0  0  0  0  0  0  0999 V2000
    6.2750   -8.0550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8460   -4.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9230   -6.3405    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8900   -2.4725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5055  -10.0660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8135   -6.8680    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0110   -4.4945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7805   -1.9780    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4395   -7.6925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8680  -11.7800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8020   -9.3735    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2745   -0.8025    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.0990   -5.5385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0770   -0.6595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0660   -3.3080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2305   -2.7360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4945    0.9780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0110  -11.4725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6485    0.7910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8900    2.6265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3405  -10.4175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9780   -6.4725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9120    4.5715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5385    2.9010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7580    4.7360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0440    2.4615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0770  -13.7910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1540    6.3845    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7800   -6.6045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7910   -2.2415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3625  -13.1320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000    0.5165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3075    6.2305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4285  -15.4725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6375   -3.3080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6375   -5.5385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5935  -15.1650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8  4  1  0  0  0  0
  9  1  2  0  0  0  0
 10  5  1  0  0  0  0
 11  9  1  0  0  0  0
 12 16  1  0  0  0  0
 13  6  1  0  0  0  0
 14  4  1  0  0  0  0
 15 13  1  0  0  0  0
 16  7  1  0  0  0  0
 17 12  1  0  0  0  0
 18 11  1  0  0  0  0
 19 17  2  0  0  0  0
 20 19  1  0  0  0  0
 21  5  2  0  0  0  0
 22  7  2  0  0  0  0
 23 25  1  0  0  0  0
 24 17  1  0  0  0  0
 25 24  2  0  0  0  0
 26 20  1  0  0  0  0
 27 10  1  0  0  0  0
 28 23  1  0  0  0  0
 29 13  2  0  0  0  0
 30 15  2  0  0  0  0
 31 18  1  0  0  0  0
 32 26  1  0  0  0  0
 33 28  1  0  0  0  0
 34 27  2  0  0  0  0
 35 36  2  0  0  0  0
 36 29  1  0  0  0  0
 37 31  2  0  0  0  0
 10 18  2  0  0  0  0
  8 15  1  0  0  0  0
 14 12  1  0  0  0  0
 37 34  1  0  0  0  0
 35 30  1  0  0  0  0
 20 23  2  0  0  0  0
M  END
>  <Mol_ID> (5,248)
5248

>  <Formula> (5,248)
C30H26N2O5

>  <MolWeight> (5,248)
494.53784

>  <COMPOUND_NAME> (5,248)
WAY-311614

>  <BAR_CODE_NO> (5,248)
3916043

$$$$
WAY-235254
csChFnd80/06171916332D

 25 28  0  0  0  0  0  0  0  0999 V2000
    3.7231    3.2231    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5504    4.3437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7231    5.4985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4044    5.0416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4044    3.6369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1885    1.8616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1885    6.8688    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5500    1.6202    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9637    4.3437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5500    7.1531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2994    1.0771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2064    5.7570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3253    7.6962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2064    2.9387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9983    8.4460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5067    6.1190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3686    8.7303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8599    6.3775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4637    2.6631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9895    0.2844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8511    2.3788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3686    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7215    7.7996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.0416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  2  0  0  0  0
  8  6  1  0  0  0  0
  9  2  2  0  0  0  0
 10  7  1  0  0  0  0
 11 22  1  0  0  0  0
 12  4  1  0  0  0  0
 13 18  2  0  0  0  0
 14  5  1  0  0  0  0
 15 10  1  0  0  0  0
 16 10  2  0  0  0  0
 17 15  2  0  0  0  0
 18 16  1  0  0  0  0
 19  8  1  0  0  0  0
 20  8  1  0  0  0  0
 21 19  1  0  0  0  0
 22 20  1  0  0  0  0
 23 13  1  0  0  0  0
 24 25  1  0  0  0  0
 25 14  2  0  0  0  0
  3  4  1  0  0  0  0
 11 21  1  0  0  0  0
 12 24  2  0  0  0  0
 17 13  1  0  0  0  0
M  END
>  <Mol_ID> (5,249)
5249

>  <Formula> (5,249)
C20H21N3O2

>  <MolWeight> (5,249)
335.39964

>  <COMPOUND_NAME> (5,249)
WAY-235254

>  <BAR_CODE_NO> (5,249)
3918237

$$$$
WAY-312012
csChFnd80/06171916332D

 35 40  0  0  0  0  0  0  0  0999 V2000
   -0.9759   -1.0690    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.6172   -0.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4552   -1.7172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7759   -1.2690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9862    0.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1966   -0.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3586   -1.5828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7552   -2.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4241   -0.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5241    1.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7793    0.5931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6586    0.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5724   -1.1172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8759   -2.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2276   -3.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4276    0.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1414   -1.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2966    1.0310    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.5862   -3.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7138   -2.2552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1552    0.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8552   -0.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7586    1.7172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2379   -3.5276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9379   -3.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8552    0.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5828    1.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3966    2.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0448    2.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8586    3.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6828    3.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8621    2.2862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1379    3.7690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2241    1.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9621    3.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  2  0  0  0  0
  7 14  2  0  0  0  0
  8 15  1  0  0  0  0
  9 16  1  0  0  0  0
  9 17  2  0  0  0  0
 10 18  1  0  0  0  0
 14 19  1  0  0  0  0
 14 20  1  0  0  0  0
 16 21  2  0  0  0  0
 17 22  1  0  0  0  0
 18 23  1  0  0  0  0
 19 24  1  0  0  0  0
 20 25  1  0  0  0  0
 21 26  1  0  0  0  0
 23 27  2  0  0  0  0
 23 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 30  2  0  0  0  0
 29 31  2  0  0  0  0
 29 32  1  0  0  0  0
 31 33  1  0  0  0  0
 32 34  1  0  0  0  0
 33 35  1  0  0  0  0
 11 16  1  0  0  0  0
 12 18  1  0  0  0  0
 15 19  2  0  0  0  0
 22 26  2  0  0  0  0
 24 25  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (5,250)
5250

>  <Formula> (5,250)
C28H26N2O5

>  <MolWeight> (5,250)
470.51644

>  <COMPOUND_NAME> (5,250)
WAY-312012

>  <BAR_CODE_NO> (5,250)
3916565

$$$$
WAY-312431
csChFnd80/06171916332D

 25 27  0  0  0  0  0  0  0  0999 V2000
    0.9207    1.0931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3897    0.4655    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.1586    1.0931    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3517    1.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1724   -0.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1207    0.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6241    1.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1517    1.8897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1517    0.3138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1103    1.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4103   -0.4414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7000   -0.8069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0103    1.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0103    0.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000   -1.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7897    1.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7793    0.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5241   -1.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7276   -1.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1793    1.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7241   -2.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5379   -2.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9414    1.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1793   -2.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3414   -3.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  3  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
  7 13  2  0  0  0  0
  7 14  1  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  2  0  0  0  0
 18 21  1  0  0  0  0
 19 22  2  0  0  0  0
 20 23  1  0  0  0  0
 21 24  2  0  0  0  0
 24 25  1  0  0  0  0
  6 10  1  0  0  0  0
 17 20  1  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <Mol_ID> (5,251)
5251

>  <Formula> (5,251)
C19H22N2O3S

>  <MolWeight> (5,251)
358.45458

>  <COMPOUND_NAME> (5,251)
WAY-312431

>  <BAR_CODE_NO> (5,251)
3917066

$$$$
WAY-112895
csChFnd80/06171916332D

 25 27  0  0  0  0  0  0  0  0999 V2000
    1.6147   -0.9363    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5940   -2.0294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7527   -0.2605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5216   -0.2398    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5871   -2.5018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5216   -2.6053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0802    0.7706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3818   -0.6294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1285    0.7706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5906   -0.4846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5458   -3.6949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4596   -3.7363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5044    1.7154    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8285    1.6740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5113   -4.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5853    1.6947    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7163    1.6326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6887    2.7844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5646    0.6464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2715    2.5809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2508    0.7085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4267    2.5602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3646    0.6878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9404    1.5913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0508    1.5706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 16 19  2  0  0  0  0
 17 20  1  0  0  0  0
 17 21  2  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
  7  9  2  0  0  0  0
 12 15  2  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (5,252)
5252

>  <Formula> (5,252)
C18H19N3O3S

>  <MolWeight> (5,252)
357.42676

>  <COMPOUND_NAME> (5,252)
WAY-112895

>  <BAR_CODE_NO> (5,252)
3918162

$$$$
WAY-228905
csChFnd80/06171916332D

 24 25  0  0  0  0  0  0  0  0999 V2000
    7.1365   -8.6365    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.6820   -8.6365    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.9090   -7.6020    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.1365  -10.6820    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.6820  -10.6820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9090  -11.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3635   -7.5795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4545   -7.6020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9090   -5.5570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4545  -11.6930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4545   -5.5570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3635   -5.5340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6025  -12.0455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6480   -4.5455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1365   -4.5455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2275   -8.6025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5910   -8.6025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9090   -1.4660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0910  -10.9090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6480   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1365   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9090    0.5455    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.8185   -7.6020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.6020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  6  1  0  0  0  0
  6  4  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  3  1  0  0  0  0
 10  5  2  0  0  0  0
 11  8  2  0  0  0  0
 12  7  2  0  0  0  0
 13  4  1  0  0  0  0
 14  9  1  0  0  0  0
 15  9  2  0  0  0  0
 16  8  1  0  0  0  0
 17  7  1  0  0  0  0
 18 21  2  0  0  0  0
 19  4  1  0  0  0  0
 20 14  2  0  0  0  0
 21 15  1  0  0  0  0
 22 18  1  0  0  0  0
 23 17  1  0  0  0  0
 24 16  1  0  0  0  0
  5  2  1  0  0  0  0
 20 18  1  0  0  0  0
M  END
>  <Mol_ID> (5,253)
5253

>  <Formula> (5,253)
C17H19ClO6

>  <MolWeight> (5,253)
354.78216

>  <COMPOUND_NAME> (5,253)
WAY-228905

>  <BAR_CODE_NO> (5,253)
3917742

$$$$
WAY-313223-A
csChFnd80/06171916332D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -1.8931   -1.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7655   -1.7034    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.8931   -0.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9069   -1.9517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1172   -0.7517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3793   -2.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7655    0.1586    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9069    0.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9276   -1.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0724   -0.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7828   -3.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9276   -0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5586    0.3586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7448    0.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9345    1.3586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2414    1.5138    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.4069    2.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5828    2.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4034    1.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7586    3.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  8 12  2  0  0  0  0
 10 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
  5  7  1  0  0  0  0
  9 12  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (5,254)
5254

>  <Formula> (5,254)
C18H22NS+

>  <MolWeight> (5,254)
284.43898

>  <COMPOUND_NAME> (5,254)
WAY-313223-A

>  <BAR_CODE_NO> (5,254)
3918057

$$$$
CL-407107
csChFnd80/06171916332D

 18 19  0  0  0  0  0  0  0  0999 V2000
    1.2601    0.7689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6099    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0555    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5847    2.2853    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6099   -1.5548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7546    1.0294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0555   -1.5548    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.1353    2.4305    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2601   -2.3280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9383   -2.3280    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2539    0.7219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3882   -2.3280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2710   -1.5548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7167   -1.5548    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.7167   -0.0214    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0494   -2.3280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0494    0.7432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3821   -0.0214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
 10 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
  6  8  2  0  0  0  0
  7  9  1  0  0  0  0
M  END
>  <Mol_ID> (5,255)
5255

>  <Formula> (5,255)
C13H20N2O2S

>  <MolWeight> (5,255)
268.3751

>  <COMPOUND_NAME> (5,255)
CL-407107

>  <BAR_CODE_NO> (5,255)
3915583

$$$$
WAY-312173
csChFnd80/06171916332D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.4209   -0.0273    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7415    0.4969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3829   -0.8894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1588    0.4727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0930    0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0036    1.2796    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6209   -1.3066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0899   -1.3411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8898    1.2727    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0312    0.1969    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6689    0.9589    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6036   -2.1687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0692   -2.2066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5413    0.8106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3415   -2.6273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8413   -0.0031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1171    1.4589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7102   -0.1445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2792   -0.6445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9930    1.2934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8309    2.2796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2792    0.4969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  2  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
  6  9  1  0  0  0  0
 13 15  1  0  0  0  0
 20 22  2  0  0  0  0
M  END
>  <Mol_ID> (5,256)
5256

>  <Formula> (5,256)
C17H18N4S

>  <MolWeight> (5,256)
310.41662

>  <COMPOUND_NAME> (5,256)
WAY-312173

>  <BAR_CODE_NO> (5,256)
3916765

$$$$
WAY-313022
csChFnd80/06171916332D

 36 40  0  0  0  0  0  0  0  0999 V2000
   -0.6345   -0.7552    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.3276   -1.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6483    1.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0655   -1.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3276   -1.9759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0345   -0.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0517    2.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3621    2.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0655   -1.9759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7897   -0.7448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6345   -2.3759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0345   -2.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7345   -1.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0345    0.0690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0517    3.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7655    1.9207    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.3621    3.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7897   -2.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4862   -1.1552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7897    0.0724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7345   -1.9759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6483    3.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4724    2.3690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7655    1.0931    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.9828    3.7345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1897   -0.7448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3103   -2.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5483   -1.9759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8138    4.3931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6345    4.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8862   -1.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8862   -1.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5862   -0.7448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2897   -1.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2897   -1.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  2  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 17  2  0  0  0  0
  9 18  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  2  0  0  0  0
 12 21  1  0  0  0  0
 15 22  2  0  0  0  0
 16 23  2  0  0  0  0
 16 24  1  0  0  0  0
 17 25  1  0  0  0  0
 19 26  1  0  0  0  0
 21 27  1  0  0  0  0
 21 28  1  0  0  0  0
 22 29  1  0  0  0  0
 25 30  1  0  0  0  0
 26 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 32 34  1  0  0  0  0
 33 35  2  0  0  0  0
 34 36  2  0  0  0  0
  9 11  1  0  0  0  0
 13 21  1  0  0  0  0
 17 22  1  0  0  0  0
 29 30  1  0  0  0  0
 35 36  1  0  0  0  0
M  END
>  <Mol_ID> (5,257)
5257

>  <Formula> (5,257)
C27H26N2O7

>  <MolWeight> (5,257)
490.50454

>  <COMPOUND_NAME> (5,257)
WAY-313022

>  <BAR_CODE_NO> (5,257)
3917793

$$$$
WAY-312121
csChFnd80/06171916332D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -1.3142    1.3446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6038    0.3343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2728    1.3446    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0245    2.0964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7728   -0.2450    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6038    0.0860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0548    0.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0245    1.8446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3142    0.8446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1065    0.1757    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4038    0.5860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4341   -0.8243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1142    1.3860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4755   -1.0761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7755   -1.6140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1962   -0.2864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8168   -2.0761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1962   -0.4864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8168   -2.3243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5755   -1.5347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  6  9  2  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
  5  7  1  0  0  0  0
  8  9  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (5,258)
5258

>  <Formula> (5,258)
C15H18N2O2S

>  <MolWeight> (5,258)
290.38062

>  <COMPOUND_NAME> (5,258)
WAY-312121

>  <BAR_CODE_NO> (5,258)
3916701

$$$$
WAY-313034
csChFnd80/06171916332D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -2.8414    2.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8517    1.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8241    1.3448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9655    3.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4586    0.1828    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9931    1.8621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2379    0.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1034    3.8552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1207    3.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5138   -0.8724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2897    3.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2655   -0.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000   -1.9897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3517    0.2069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6517   -2.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3172   -0.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690   -3.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5828   -0.9345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5517   -3.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1690   -2.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2517    0.1310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4276   -2.1103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5034    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9862   -3.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  6  9  2  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
  5  7  1  0  0  0  0
  8  9  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (5,259)
5259

>  <Formula> (5,259)
C18H18N2O3S

>  <MolWeight> (5,259)
342.41212

>  <COMPOUND_NAME> (5,259)
WAY-313034

>  <BAR_CODE_NO> (5,259)
3917810

$$$$
CL-25685
csChFnd80/06171916332D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -2.4766    0.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4766   -0.7814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6076    0.7014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3455    0.7014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6076   -1.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3455   -1.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7386    0.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2145    0.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7386   -0.7814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2145   -0.7814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0855    0.7014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9683    0.2980    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0855    1.5566    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9269    0.9117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7683    0.3876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7683   -0.5883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6062    0.8807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6062   -1.0814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4752    0.3876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4752   -0.5883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (5,260)
5260

>  <Formula> (5,260)
C18H15NO

>  <MolWeight> (5,260)
261.3178

>  <COMPOUND_NAME> (5,260)
CL-25685

>  <BAR_CODE_NO> (5,260)
2555718

$$$$
WAY-312169-A
csChFnd80/06171916332D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.4172    0.6483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1345    1.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3172    1.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4655   -0.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9655    0.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1345    2.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0241    0.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2345   -0.6034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0172    0.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0172    2.7966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9828   -0.2034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5655    1.5483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0655    2.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6759   -0.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6655   -1.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4655   -0.1517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2966   -1.6034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0966   -1.6034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2552   -2.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0828   -2.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6828   -2.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
  8 11  1  0  0  0  0
 12 13  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (5,261)
5261

>  <Formula> (5,261)
C18H26N2O

>  <MolWeight> (5,261)
286.41184

>  <COMPOUND_NAME> (5,261)
WAY-312169-A

>  <BAR_CODE_NO> (5,261)
3916756

$$$$
WAY-311955
csChFnd80/06171916332D

 15 17  0  0  0  0  0  0  0  0999 V2000
    0.3757   -0.5977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9653   -0.5977    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7899   -1.2873    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3757    0.7817    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9653    0.7817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1308   -1.2873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9588   -0.5977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9588    0.7817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1308    1.4713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2964   -0.5977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1243   -1.2873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1243    1.4713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2964    0.7817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2899   -0.5977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2899    0.7817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 15  2  0  0  0  0
  7  8  2  0  0  0  0
 10 13  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (5,262)
5262

>  <Formula> (5,262)
C12H14N2O

>  <MolWeight> (5,262)
202.25236

>  <COMPOUND_NAME> (5,262)
WAY-311955

>  <BAR_CODE_NO> (5,262)
3916498

$$$$
WAY-313165
csChFnd80/06171916332D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -2.1957   -0.3335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3957    0.1320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9992    0.1320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2026   -1.2680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5854   -0.3335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8095   -0.3335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0130   -1.7335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2181    0.1320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8095   -1.2680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0284   -0.3335    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2181    1.0631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6164   -1.7335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8353    0.1320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5801   -0.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7250    1.0493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4974   -0.3197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2870    1.7941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0732    0.4148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2146    1.9079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9491    1.3424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
  7  9  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (5,263)
5263

>  <Formula> (5,263)
C17H25NO2

>  <MolWeight> (5,263)
275.3859

>  <COMPOUND_NAME> (5,263)
WAY-313165

>  <BAR_CODE_NO> (5,263)
3917969

$$$$
WAY-310513
csChFnd80/06171916332D

 21 23  0  0  0  0  0  0  0  0999 V2000
    4.2859    0.5624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2859   -0.7549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1445    1.2279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5514    0.9658    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1445   -1.4066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5514   -1.1652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9997    0.5624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3066   -0.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9997   -0.7549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8583    1.2279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2624    0.5624    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4037    1.2279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5451    0.5865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4037    2.5624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5451   -0.7549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6865    1.2279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6865   -1.4273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8279    0.5865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8279   -0.7549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9693   -1.4273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9693   -2.7445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (5,264)
5264

>  <Formula> (5,264)
C16H15NO4

>  <MolWeight> (5,264)
285.2946

>  <COMPOUND_NAME> (5,264)
WAY-310513

>  <BAR_CODE_NO> (5,264)
3914739

$$$$
WAY-311598
csChFnd80/06171916332D

 23 24  0  0  0  0  0  0  0  0999 V2000
   -0.5138    0.0483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9690    0.8276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9690   -0.7517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4103    0.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8897    0.8276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8897   -0.7724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8724    0.8276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8724   -0.7724    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3483    0.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862    0.8276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2690    0.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2724    0.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2517    1.6138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7138    0.8724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7483   -0.7069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1862    0.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8103   -0.7724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2276    1.6483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6517   -0.7724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2724   -1.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6690    2.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1862   -1.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6517   -2.4069    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
 11 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12 16  2  0  0  0  0
 12 17  1  0  0  0  0
 14 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  2  0  0  0  0
 18 21  1  0  0  0  0
 19 22  2  0  0  0  0
 22 23  1  0  0  0  0
  6  9  1  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (5,265)
5265

>  <Formula> (5,265)
C16H19FN2O3S

>  <MolWeight> (5,265)
338.3970632

>  <COMPOUND_NAME> (5,265)
WAY-311598

>  <BAR_CODE_NO> (5,265)
3916020

$$$$
WAY-312029
csChFnd80/06171916332D

 26 28  0  0  0  0  0  0  0  0999 V2000
    1.3440   -0.0208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2889    0.5240    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3440   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3992    0.5240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2337    1.0689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8337   -0.4139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7440    1.4620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3992   -1.6587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5456   -0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1785    0.5240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2337    2.1620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5456   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1233    1.0689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1785    2.7068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4905   -1.6587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1233    2.1620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4353   -1.1104    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4905   -2.7484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0682    2.7068    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.3801   -1.6587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3249   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2698   -1.6587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3249   -0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2077   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2698    0.5240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2077   -0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  8 12  1  0  0  0  0
 10 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  2  0  0  0  0
  9 12  1  0  0  0  0
 14 16  2  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (5,266)
5266

>  <Formula> (5,266)
C19H21ClN2O3S

>  <MolWeight> (5,266)
392.89964

>  <COMPOUND_NAME> (5,266)
WAY-312029

>  <BAR_CODE_NO> (5,266)
3916587

$$$$
WAY-312566
csChFnd80/06171916332D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -0.1787   -1.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2421    0.0873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6171   -0.9585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1171    0.0581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7421   -1.6085    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2370   -1.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8838    0.9873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0787   -0.6752    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4162   -2.4669    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6630   -1.2710    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4046    1.9915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5704    0.9331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9713    0.9040    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1162   -1.0585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8995    0.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6171    1.8206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9620   -0.3544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7412    1.1206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7255    1.7123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7829    0.7373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  1  2  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9  6  2  0  0  0  0
 10  3  1  0  0  0  0
 11  7  2  0  0  0  0
 12  4  1  0  0  0  0
 13  7  1  0  0  0  0
 14  8  1  0  0  0  0
 15  8  1  0  0  0  0
 16 13  1  0  0  0  0
 17 14  1  0  0  0  0
 18 15  1  0  0  0  0
 19 16  1  0  0  0  0
 20 17  1  0  0  0  0
  3  2  2  0  0  0  0
 20 18  1  0  0  0  0
M  END
>  <Mol_ID> (5,267)
5267

>  <Formula> (5,267)
C14H20N2O3S

>  <MolWeight> (5,267)
296.3852

>  <COMPOUND_NAME> (5,267)
WAY-312566

>  <BAR_CODE_NO> (5,267)
3917223

$$$$
WAY-313137
csChFnd80/06171916332D

 21 23  0  0  0  0  0  0  0  0999 V2000
    1.8241   -0.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3448   -1.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5828   -0.9897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6517    0.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8000   -2.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5138   -1.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5828   -1.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1966   -0.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2517    0.5828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0966   -0.7069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0241    0.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7000   -0.7069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1000    0.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9172    0.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6862    0.7103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3379    0.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1552    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9172    1.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5759    1.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3379    2.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1552    2.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  6 10  2  0  0  0  0
  8 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
  5  7  1  0  0  0  0
  9 11  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (5,268)
5268

>  <Formula> (5,268)
C17H15N3O

>  <MolWeight> (5,268)
277.3205

>  <COMPOUND_NAME> (5,268)
WAY-313137

>  <BAR_CODE_NO> (5,268)
3917940

$$$$
WAY-312139
csChFnd80/06171916332D

 21 23  0  0  0  0  0  0  0  0999 V2000
    1.5655   -0.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0034    0.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1897    0.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5655   -0.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0034    0.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3897   -0.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1897    0.9483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7517   -0.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1621   -1.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6103    1.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1828    0.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7517   -0.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7966   -0.0655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3828    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9828   -0.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3828    1.0138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9828   -0.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5724    0.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5586   -1.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1724   -0.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1724   -0.7621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  8 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
  7 10  2  0  0  0  0
  9 12  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (5,269)
5269

>  <Formula> (5,269)
C17H13N3O

>  <MolWeight> (5,269)
275.30462

>  <COMPOUND_NAME> (5,269)
WAY-312139

>  <BAR_CODE_NO> (5,269)
3916723

$$$$
WAY-312084
csChFnd80/06171916332D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -3.3552   -0.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1379   -0.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6276   -0.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5000   -2.1552    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9276   -0.7655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1379    1.3345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5655   -1.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8690   -2.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2897   -0.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4966   -0.7690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2897    1.3310    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.7138   -0.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7138    1.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9207   -0.7724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9241    2.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    2.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1345   -0.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1379    1.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  2  0  0  0  0
  7  8  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (5,270)
5270

>  <Formula> (5,270)
C12H11N3OS2

>  <MolWeight> (5,270)
277.36524

>  <COMPOUND_NAME> (5,270)
WAY-312084

>  <BAR_CODE_NO> (5,270)
3916652

$$$$
WAY-310621
csChFnd80/06171916332D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -1.9063    0.0473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9063   -1.0562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8339    0.4162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8581    0.5990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8339   -1.3803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8581   -1.6079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1891   -0.5045    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4649    1.4748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8408    0.0473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8270    1.7059    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.4649   -2.4389    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8408   -1.0562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9178   -0.5355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8615    2.2128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7649    2.2576    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.4695    0.3852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4523   -1.5010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5730    0.3852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5592   -1.5010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1247   -0.5493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1247    1.3680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2316   -0.5665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2144    1.3817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7833    0.4162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
 10 14  2  0  0  0  0
 10 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
  5  7  1  0  0  0  0
  9 12  2  0  0  0  0
 19 20  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (5,271)
5271

>  <Formula> (5,271)
C18H10N2O4

>  <MolWeight> (5,271)
318.283

>  <COMPOUND_NAME> (5,271)
WAY-310621

>  <BAR_CODE_NO> (5,271)
3914860

$$$$
GI-570310
csChFnd80/06171916332D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.9136   -0.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9136   -1.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2347    0.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9550    0.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2347   -1.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9550   -1.9966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9174   -0.7966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6450    1.3345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9929   -0.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6450   -2.9138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9929   -1.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1347   -0.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0757    0.3862    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.7450    0.2345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0826    1.6034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1136   -0.2448    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.9761    0.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1450    1.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5968    1.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7450    2.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9761    2.3448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  9 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
  5  7  1  0  0  0  0
  9 11  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (5,272)
5272

>  <Formula> (5,272)
C13H13N3O5

>  <MolWeight> (5,272)
291.25942

>  <COMPOUND_NAME> (5,272)
GI-570310

>  <BAR_CODE_NO> (5,272)
3917929

$$$$
WAY-340011
csChFnd80/06171916332D

 28 30  0  0  0  0  0  0  0  0999 V2000
   -0.4241    0.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4517    0.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8724   -0.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8724    0.8621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000    0.8621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7414   -0.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7414    0.8621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7724    0.8621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4517    1.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1724   -1.4517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1897    0.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2000    0.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000    2.3793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4241    1.6414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0414   -1.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0724    0.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7724   -0.6724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7724    2.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4724   -2.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4897   -0.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5207    0.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5207   -0.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3414   -2.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3621   -0.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3897    0.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3897   -0.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8000   -1.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8379    0.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  2  0  0  0  0
 10 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 17  2  0  0  0  0
 13 18  1  0  0  0  0
 15 19  1  0  0  0  0
 15 20  2  0  0  0  0
 16 21  1  0  0  0  0
 16 22  2  0  0  0  0
 19 23  2  0  0  0  0
 20 24  1  0  0  0  0
 21 25  2  0  0  0  0
 22 26  1  0  0  0  0
 23 27  1  0  0  0  0
 25 28  1  0  0  0  0
  7 11  2  0  0  0  0
 24 27  2  0  0  0  0
 26 28  2  0  0  0  0
M  END
>  <Mol_ID> (5,273)
5273

>  <Formula> (5,273)
C23H20N2O3

>  <MolWeight> (5,273)
372.4165

>  <COMPOUND_NAME> (5,273)
WAY-340011

>  <BAR_CODE_NO> (5,273)
2555165

$$$$
WAY-312959
csChFnd80/06171916332D

 22 24  0  0  0  0  0  0  0  0999 V2000
    2.7140    0.1865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2347   -0.7135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6761    0.1865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2347    1.1141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7450   -1.6238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2864   -0.7135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1657   -0.7135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2864    1.1037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7036   -1.6238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8036    0.1865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1140   -0.7135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4136    0.2037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4653    0.2037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2450    1.2244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9964    1.1244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9757   -0.6963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0343    1.1244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0136   -0.6963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5239    0.2037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5757    0.2037    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -5.1136    1.1244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0964   -0.6963    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (5,274)
5274

>  <Formula> (5,274)
C17H11NO4

>  <MolWeight> (5,274)
293.27354

>  <COMPOUND_NAME> (5,274)
WAY-312959

>  <BAR_CODE_NO> (5,274)
3917717

$$$$
WAY-311571
csChFnd80/06171916332D

 29 31  0  0  0  0  0  0  0  0999 V2000
   -2.8828    1.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4690    2.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7138    1.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4690    0.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8828    2.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1276    2.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6448    0.6966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8828   -0.0172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7138    2.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2310   -0.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1207    3.5690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4069   -0.0172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6448   -0.7310    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7069    4.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4172   -0.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8241   -0.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8345    0.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6483   -0.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6586    0.6828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0586   -1.4621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0690   -0.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8862   -1.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2931   -2.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2966   -0.7552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8724   -2.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1172   -2.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2862   -3.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5241   -2.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1103   -3.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 18 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
 23 26  2  0  0  0  0
 25 27  2  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
  6  9  1  0  0  0  0
 19 21  1  0  0  0  0
 28 29  2  0  0  0  0
M  END
>  <Mol_ID> (5,275)
5275

>  <Formula> (5,275)
C22H19N3O3S

>  <MolWeight> (5,275)
405.46956

>  <COMPOUND_NAME> (5,275)
WAY-311571

>  <BAR_CODE_NO> (5,275)
3915986

$$$$
WAY-345458
csChFnd80/06171916332D

 27 29  0  0  0  0  0  0  0  0999 V2000
    1.4345   -0.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8724    0.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8724   -1.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5655   -0.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7552    0.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7552   -1.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1241    0.4172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1448   -1.1138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1828   -0.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2034    1.2172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2034   -1.8345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7345    0.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0552   -0.3034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7241    1.9552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7655   -2.5759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1862   -0.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2069    1.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5034    0.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0552   -0.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0759    1.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4862    0.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3655    0.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8276    1.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7759   -0.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6966    1.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6345   -0.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1172    0.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  2  0  0  0  0
 12 17  1  0  0  0  0
 13 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  2  0  0  0  0
 19 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  2  0  0  0  0
  6  9  2  0  0  0  0
 20 21  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (5,276)
5276

>  <Formula> (5,276)
C22H21NO4

>  <MolWeight> (5,276)
363.40644

>  <COMPOUND_NAME> (5,276)
WAY-345458

>  <BAR_CODE_NO> (5,276)
2555691

$$$$
WAY-344968
csChFnd80/06171916332D

 25 27  0  0  0  0  0  0  0  0999 V2000
   14.0125   -4.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9375   -4.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0167   -3.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9417   -3.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9792   -3.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0292   -3.4792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.0125   -5.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9542   -4.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0167   -4.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0000   -3.4792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9917   -2.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0000   -5.7667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9667   -4.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9167   -5.3667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9667   -3.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0042   -5.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9792   -1.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0167   -5.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9667   -2.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9750   -4.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9917   -1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -4.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -5.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9667   -3.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9792   -2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  6  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5 13  1  0  0  0  0
  6  9  1  0  0  0  0
  7  1  1  0  0  0  0
  8  4  2  0  0  0  0
  9  3  1  0  0  0  0
 10  1  1  0  0  0  0
 11 17  1  0  0  0  0
 12  7  1  0  0  0  0
 13 15  2  0  0  0  0
 14  2  2  0  0  0  0
 15  8  1  0  0  0  0
 16  7  2  0  0  0  0
 17 19  2  0  0  0  0
 18 16  1  0  0  0  0
 19 15  1  0  0  0  0
 20  5  1  0  0  0  0
 21 11  1  0  0  0  0
 22 10  1  0  0  0  0
 23 22  1  0  0  0  0
 24 20  1  0  0  0  0
 25 21  1  0  0  0  0
 23 12  1  0  0  0  0
  9 18  2  0  0  0  0
 11  5  2  0  0  0  0
M  END
>  <Mol_ID> (5,277)
5277

>  <Formula> (5,277)
C19H19NO5

>  <MolWeight> (5,277)
341.35786

>  <COMPOUND_NAME> (5,277)
WAY-344968

>  <BAR_CODE_NO> (5,277)
2555216

$$$$
WAY-217310
csChFnd80/06171916332D

 30 32  0  0  0  0  0  0  0  0999 V2000
    8.7653    8.2183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1377    7.7118    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2586    6.8480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5253    7.9248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6617    9.0301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1643    8.4256    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3932    9.9743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0186    6.5718    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6505   10.2911    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6253    6.3530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6806    7.0957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8587    9.6806    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9131    9.3352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5027    9.1452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0381   10.4751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9703    8.1321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2626    8.8402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8326   10.1529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5921    8.6444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9969    8.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0756    9.9743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    9.7901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5527   11.1027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7462    5.5354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8251    6.6409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4597    9.4620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3520    8.3565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0842    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1746    6.1226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3414    5.2764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  2  0  0  0  0
  6  4  1  0  0  0  0
  7 15  2  0  0  0  0
  8  3  2  0  0  0  0
  9  7  1  0  0  0  0
 10  3  1  0  0  0  0
 11  4  2  0  0  0  0
 12 20  2  0  0  0  0
 13  5  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16  6  1  0  0  0  0
 17 13  1  0  0  0  0
 18 13  2  0  0  0  0
 19 16  1  0  0  0  0
 20 27  1  0  0  0  0
 21 26  2  0  0  0  0
 22  9  1  0  0  0  0
 23  9  1  0  0  0  0
 24 10  2  0  0  0  0
 25 10  1  0  0  0  0
 26 19  1  0  0  0  0
 27 19  2  0  0  0  0
 28 24  1  0  0  0  0
 29 25  2  0  0  0  0
 30 29  1  0  0  0  0
  7 14  1  0  0  0  0
 12 21  1  0  0  0  0
 30 28  2  0  0  0  0
M  END
>  <Mol_ID> (5,278)
5278

>  <Formula> (5,278)
C24H24N4O2

>  <MolWeight> (5,278)
400.47296

>  <COMPOUND_NAME> (5,278)
WAY-217310

>  <BAR_CODE_NO> (5,278)
3916172

$$$$
WAY-344340
csChFnd80/06171916332D

 29 32  0  0  0  0  0  0  0  0999 V2000
    8.7125    0.3458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7125   -0.4792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9917    0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9917   -0.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2792    0.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2792   -0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4292    0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4375    1.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1417    1.9958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9917    1.5833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9917   -1.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7167    1.9958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1417    2.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1417    4.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8625    3.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4292    3.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5667    0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5667   -0.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8625    4.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4292    4.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1542    5.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7042   -2.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2792   -2.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8750    5.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8542    0.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8542   -0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7042   -2.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2792   -2.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9917   -3.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  3  2  0  0  0  0
 11  4  1  0  0  0  0
 12  8  2  0  0  0  0
 13  9  1  0  0  0  0
 14 20  1  0  0  0  0
 15 13  2  0  0  0  0
 16 13  1  0  0  0  0
 17  5  2  0  0  0  0
 18  6  2  0  0  0  0
 19 15  1  0  0  0  0
 20 16  2  0  0  0  0
 21 14  1  0  0  0  0
 22 11  1  0  0  0  0
 23 11  2  0  0  0  0
 24 21  1  0  0  0  0
 25 17  1  0  0  0  0
 26 25  2  0  0  0  0
 27 22  2  0  0  0  0
 28 23  1  0  0  0  0
 29 28  2  0  0  0  0
  4  6  1  0  0  0  0
 18 26  1  0  0  0  0
 14 19  2  0  0  0  0
 27 29  1  0  0  0  0
M  END
>  <Mol_ID> (5,279)
5279

>  <Formula> (5,279)
C23H19N3O3

>  <MolWeight> (5,279)
385.41526

>  <COMPOUND_NAME> (5,279)
WAY-344340

>  <BAR_CODE_NO> (5,279)
2554689

$$$$
SD-219286
csChFnd80/06171916332D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -0.8488   -1.3878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0005   -2.2361    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5247   -0.2361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9902   -1.7120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8512   -3.0878    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8488   -3.0878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8512   -1.3878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3729    0.6053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8385   -0.8706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0133   -2.7740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5385    0.2915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0236   -3.4292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3271   -1.6189    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3867    1.1398    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9546   -2.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5305   -1.5602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0626    2.2915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9005    2.6053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9109    3.1432    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0523    1.7466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1236    2.0604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9719    1.2122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4374    3.2122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340    1.5156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5995    3.5363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4581    2.6777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  2  0  0  0  0
  9 11  2  0  0  0  0
 15 16  2  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (5,280)
5280

>  <Formula> (5,280)
C17H15N3O4S2

>  <MolWeight> (5,280)
389.4487

>  <COMPOUND_NAME> (5,280)
SD-219286

>  <BAR_CODE_NO> (5,280)
3916696

$$$$
WAY-345057
csChFnd80/06171916332D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -2.9965   -1.5275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2068   -0.1689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2068   -2.8275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4930   -1.5275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7206   -0.1689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9965    1.1380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6654   -2.7758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9447   -4.1378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2792   -0.1689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2792   -2.8275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0829   -1.5275    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0829    1.2242    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5413    1.1380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1725   -4.1378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4930   -4.1378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6070   -1.5689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4173   -0.2551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9415   -0.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7449    1.0449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9967    2.3967    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2725    0.9967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7829    3.7070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4553    2.4449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0449    5.0518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7173    3.7967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5035    5.1173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
  6 13  1  0  0  0  0
  7 14  2  0  0  0  0
  8 15  1  0  0  0  0
 11 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
  7 11  1  0  0  0  0
  9 13  2  0  0  0  0
 10 15  2  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (5,281)
5281

>  <Formula> (5,281)
C21H22N2O3

>  <MolWeight> (5,281)
350.41098

>  <COMPOUND_NAME> (5,281)
WAY-345057

>  <BAR_CODE_NO> (5,281)
2555365

$$$$
WAY-345114
csChFnd80/06171916332D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -1.9708    0.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    1.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1833    1.4125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583    1.3583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1500    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4750   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    2.6958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1625   -0.7917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2958    0.0750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    4.3417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6083    0.8333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2208    3.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7875    3.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2208    3.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7875    3.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  6  2  0  0  0  0
  9  6  1  0  0  0  0
 10 16  1  0  0  0  0
 11  9  1  0  0  0  0
 12  5  1  0  0  0  0
 13  7  1  0  0  0  0
 14  7  1  0  0  0  0
 15 13  1  0  0  0  0
 16 14  1  0  0  0  0
  4  2  2  0  0  0  0
 15 10  1  0  0  0  0
M  END
>  <Mol_ID> (5,282)
5282

>  <Formula> (5,282)
C9H14N4O2S

>  <MolWeight> (5,282)
242.29806

>  <COMPOUND_NAME> (5,282)
WAY-345114

>  <BAR_CODE_NO> (5,282)
2555441

$$$$
CL-292502
csChFnd80/06171916332D

 23 25  0  0  0  0  0  0  0  0999 V2000
    3.4131    0.2205    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4131    1.5963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2211   -0.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6051   -0.4621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6051    2.2842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2211    2.2842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2211   -1.8431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9189    0.2836    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6051   -1.8431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6051    3.6599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2211    3.6599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1605   -2.9038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6710   -2.9038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4131    4.3478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3361   -2.9510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1289   -1.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0449   -4.2743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6307   -1.7223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5467   -4.3215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3396   -3.0455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8414   -3.0928    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3875   -1.6960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6658   -4.3478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  2  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
  7  9  1  0  0  0  0
 11 14  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (5,283)
5283

>  <Formula> (5,283)
C19H19N3O

>  <MolWeight> (5,283)
305.37366

>  <COMPOUND_NAME> (5,283)
CL-292502

>  <BAR_CODE_NO> (5,283)
3917921

$$$$
WAY-311066
csChFnd80/06171916332D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -0.0655    0.6483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6276    0.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0655    0.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4931    0.9862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1897    0.6483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6276   -0.3138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4931   -0.3138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0552    0.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1897    0.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7448    0.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6276   -0.9517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6345    0.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0552    0.0103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7448   -0.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3069    0.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1897   -1.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0655   -1.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1931    0.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6345    1.6483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3069    0.0103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1897   -1.9345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0655   -1.9345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7552    1.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1931    1.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6276   -2.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7552    1.6483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6276   -2.8897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  2  0  0  0  0
 10 15  1  0  0  0  0
 11 16  2  0  0  0  0
 11 17  1  0  0  0  0
 12 18  2  0  0  0  0
 12 19  1  0  0  0  0
 14 20  1  0  0  0  0
 16 21  1  0  0  0  0
 17 22  2  0  0  0  0
 18 23  1  0  0  0  0
 19 24  2  0  0  0  0
 21 25  2  0  0  0  0
 23 26  2  0  0  0  0
 25 27  1  0  0  0  0
 15 20  2  0  0  0  0
 22 25  1  0  0  0  0
 24 26  1  0  0  0  0
M  END
>  <Mol_ID> (5,284)
5284

>  <Formula> (5,284)
C21H17N3O3

>  <MolWeight> (5,284)
359.37798

>  <COMPOUND_NAME> (5,284)
WAY-311066

>  <BAR_CODE_NO> (5,284)
3915410

$$$$
WAY-119574
csChFnd80/06171916332D

 21 23  0  0  0  0  0  0  0  0999 V2000
    1.3648    0.9072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5855    0.4624    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1269    0.4624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3476    1.8072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2145    0.8831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5855   -0.4376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1476   -0.4376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8993    0.9244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1269    2.2451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0007    0.4072    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2524    1.7831    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3648   -0.8756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8993    1.8072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9524   -0.4928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7145   -0.9549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1731   -0.9376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7007   -1.8549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5007   -0.5376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4524   -2.2928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2524   -0.9928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2352   -1.8756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  8 13  2  0  0  0  0
 10 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
  7 12  1  0  0  0  0
  9 13  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (5,285)
5285

>  <Formula> (5,285)
C17H16N2OS

>  <MolWeight> (5,285)
296.38674

>  <COMPOUND_NAME> (5,285)
WAY-119574

>  <BAR_CODE_NO> (5,285)
3917875

$$$$
WAY-312549
csChFnd80/06171916332D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -0.0505  -12.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6460  -13.6635    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5275  -12.9975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6460  -12.9975    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.2275  -13.9985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0990  -12.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0505  -12.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2170  -12.6595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6770  -12.9975    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8020  -13.6570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2275  -14.6610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0990  -12.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5275  -11.6585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7955  -12.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2170  -11.9830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5275  -13.6735    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3805  -11.9930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7955  -11.6485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3700  -12.6595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9620  -11.6485    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2620  -12.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8125  -14.9960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6490  -15.0025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6770  -11.6585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9620  -10.9790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2620  -12.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8225  -15.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6490  -15.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2340  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  2  0  0  0  0
  7  1  2  0  0  0  0
  8  4  1  0  0  0  0
  9  6  1  0  0  0  0
 10  5  2  0  0  0  0
 11  5  1  0  0  0  0
 12 13  2  0  0  0  0
 13  7  1  0  0  0  0
 14  8  2  0  0  0  0
 15  8  1  0  0  0  0
 16  3  1  0  0  0  0
 17 18  1  0  0  0  0
 18 15  2  0  0  0  0
 19 14  1  0  0  0  0
 20 17  1  0  0  0  0
 21  9  2  0  0  0  0
 22 11  2  0  0  0  0
 23 11  1  0  0  0  0
 24 12  1  0  0  0  0
 25 20  1  0  0  0  0
 26 24  2  0  0  0  0
 27 22  1  0  0  0  0
 28 23  2  0  0  0  0
 29 28  1  0  0  0  0
  6 12  1  0  0  0  0
 19 17  2  0  0  0  0
 21 26  1  0  0  0  0
 27 29  2  0  0  0  0
M  END
>  <Mol_ID> (5,286)
5286

>  <Formula> (5,286)
C24H20N2O3

>  <MolWeight> (5,286)
384.4272

>  <COMPOUND_NAME> (5,286)
WAY-312549

>  <BAR_CODE_NO> (5,286)
3917203

$$$$
WAY-312456
csChFnd80/06171916332D

 30 33  0  0  0  0  0  0  0  0999 V2000
    0.0000   -5.7240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7940   -6.7300    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.7525   -6.7610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5980   -5.7240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5255   -5.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8250   -8.8035    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6085   -9.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.6810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2990   -6.7610    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5980   -3.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3815   -8.7830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5255   -3.6810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7525   -2.6545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6085  -11.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7525   -8.8035    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4025  -12.9100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7940   -2.6235    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3505   -6.7300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0925   -5.7240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3505   -2.6235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2990   -2.6545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4335  -15.0045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1755  -11.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7940   -0.5705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1235   -5.7240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0925   -3.6810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1235   -3.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9900  -12.8890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2170  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9900  -14.9425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  2  0  0  0  0
  6  2  1  0  0  0  0
  7  6  1  0  0  0  0
  8  1  2  0  0  0  0
  9  5  1  0  0  0  0
 10  4  1  0  0  0  0
 11  7  2  0  0  0  0
 12 13  2  0  0  0  0
 13  8  1  0  0  0  0
 14  7  1  0  0  0  0
 15  3  1  0  0  0  0
 16 14  1  0  0  0  0
 17 10  1  0  0  0  0
 18  4  2  0  0  0  0
 19  9  2  0  0  0  0
 20 10  2  0  0  0  0
 21 12  1  0  0  0  0
 22 16  2  0  0  0  0
 23 16  1  0  0  0  0
 24 17  1  0  0  0  0
 25 18  1  0  0  0  0
 26 21  2  0  0  0  0
 27 25  2  0  0  0  0
 28 23  2  0  0  0  0
 29 22  1  0  0  0  0
 30 28  1  0  0  0  0
  5 12  1  0  0  0  0
 19 26  1  0  0  0  0
 27 20  1  0  0  0  0
 29 30  2  0  0  0  0
M  END
>  <Mol_ID> (5,287)
5287

>  <Formula> (5,287)
C25H22N2O3

>  <MolWeight> (5,287)
398.45378

>  <COMPOUND_NAME> (5,287)
WAY-312456

>  <BAR_CODE_NO> (5,287)
3917095

$$$$
WAY-312459
csChFnd80/06171916332D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -0.6950  -10.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6005  -11.3685    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.6005  -12.3975    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1855  -11.3685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4855  -12.9120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0550  -10.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4855  -10.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6950   -9.8555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9350  -11.3685    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3915  -12.3975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3760  -11.3685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4855  -13.9415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0550   -9.8555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1855   -9.3460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1855  -12.3975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2560  -10.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4855   -9.8400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1360  -11.3685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3760   -9.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8255  -10.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6005  -14.4510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3915  -14.4560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2560   -9.8400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9350   -9.3305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1410  -12.3975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8255   -9.8555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3915  -15.4855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6005  -15.4855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4855  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  2  0  0  0  0
  7  2  1  0  0  0  0
  8  1  2  0  0  0  0
  9  6  1  0  0  0  0
 10  5  2  0  0  0  0
 11  7  1  0  0  0  0
 12  5  1  0  0  0  0
 13 14  2  0  0  0  0
 14  8  1  0  0  0  0
 15  4  1  0  0  0  0
 16 11  2  0  0  0  0
 17  7  2  0  0  0  0
 18 16  1  0  0  0  0
 19 17  1  0  0  0  0
 20  9  2  0  0  0  0
 21 12  1  0  0  0  0
 22 12  2  0  0  0  0
 23 19  2  0  0  0  0
 24 13  1  0  0  0  0
 25 18  1  0  0  0  0
 26 24  2  0  0  0  0
 27 22  1  0  0  0  0
 28 21  2  0  0  0  0
 29 27  2  0  0  0  0
  6 13  1  0  0  0  0
 20 26  1  0  0  0  0
 16 23  1  0  0  0  0
 29 28  1  0  0  0  0
M  END
>  <Mol_ID> (5,288)
5288

>  <Formula> (5,288)
C24H20N2O3

>  <MolWeight> (5,288)
384.4272

>  <COMPOUND_NAME> (5,288)
WAY-312459

>  <BAR_CODE_NO> (5,288)
3917098

$$$$
WAY-312461
csChFnd80/06171916332D

 31 34  0  0  0  0  0  0  0  0999 V2000
    0.0759   -0.0172    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.7931    0.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6414    0.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0724   -0.8414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5103   -0.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7931    1.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6448    1.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3655   -0.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6448   -1.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2207    0.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5034   -0.8483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5069    1.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3621    1.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0793    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6517   -2.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3586   -0.8345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2241    1.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9310   -0.0207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0793    1.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3655    2.4690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3655   -2.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0586   -2.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9345    1.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6483    0.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7931    1.6379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0793    2.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3724   -3.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0552   -3.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6483    1.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5069    1.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6621   -3.7172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 14  2  0  0  0  0
  9 15  1  0  0  0  0
  9 16  2  0  0  0  0
 10 17  1  0  0  0  0
 10 18  2  0  0  0  0
 13 19  2  0  0  0  0
 13 20  1  0  0  0  0
 15 21  2  0  0  0  0
 15 22  1  0  0  0  0
 17 23  2  0  0  0  0
 18 24  1  0  0  0  0
 19 25  1  0  0  0  0
 20 26  1  0  0  0  0
 21 27  1  0  0  0  0
 22 28  2  0  0  0  0
 23 29  1  0  0  0  0
 25 30  1  0  0  0  0
 27 31  2  0  0  0  0
 12 17  1  0  0  0  0
 14 19  1  0  0  0  0
 24 29  2  0  0  0  0
 28 31  1  0  0  0  0
M  END
>  <Mol_ID> (5,289)
5289

>  <Formula> (5,289)
C25H22N2O4

>  <MolWeight> (5,289)
414.45318

>  <COMPOUND_NAME> (5,289)
WAY-312461

>  <BAR_CODE_NO> (5,289)
3917100

$$$$
WAY-115654
csChFnd80/06171916332D

 26 28  0  0  0  0  0  0  0  0999 V2000
    2.5858   -0.8754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8858   -1.2754    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3548   -1.1857    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.6341   -0.0857    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1651   -0.8650    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.8755   -0.5443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4341    0.1246    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4548   -0.4547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7548   -1.5857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5651   -0.1547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6858   -0.5754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2556   -0.8754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4548    0.3453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1134    0.1143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9659   -0.4754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2556    0.7660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9763    0.3350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6970    0.7246    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4073    0.3143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1142    0.7143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4073   -0.5029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1142    1.5350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8349    0.2971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8452    1.9557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5452    0.7039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5452    1.5246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  2  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  2  0  0  0  0
  6  7  2  0  0  0  0
 16 17  2  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (5,290)
5290

>  <Formula> (5,290)
C17H16N4O3S2

>  <MolWeight> (5,290)
388.46394

>  <COMPOUND_NAME> (5,290)
WAY-115654

>  <BAR_CODE_NO> (5,290)
3915935

$$$$
WAY-311980
csChFnd80/06171916332D

 16 18  0  0  0  0  0  0  0  0999 V2000
   -0.7966    0.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7966   -0.6517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0034    0.7379    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.5966    0.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0034   -1.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5966   -1.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8034    0.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8621    1.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3966    0.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8034   -0.6414    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.3966   -0.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5966   -2.0414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5828    0.7793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5724   -0.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3828    1.2207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1724    0.7379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
  8 13  1  0  0  0  0
 10 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
  7 10  1  0  0  0  0
  9 11  2  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (5,291)
5291

>  <Formula> (5,291)
C11H13N3O2

>  <MolWeight> (5,291)
219.23982

>  <COMPOUND_NAME> (5,291)
WAY-311980

>  <BAR_CODE_NO> (5,291)
3916526

$$$$
WAY-310565-A
csChFnd80/06171916332D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -0.1655   -1.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8483   -1.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1655   -0.5276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5448   -1.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8655   -2.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1483    0.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5517   -2.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1552   -2.9690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8345   -2.8276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8966    0.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5655    0.7379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1345   -3.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8966    1.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1759    1.9897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1759    2.7724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4138    1.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4517    3.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1724    1.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1931    3.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5724    2.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  2  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
  7  8  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (5,292)
5292

>  <Formula> (5,292)
C17H26N2O

>  <MolWeight> (5,292)
274.40114

>  <COMPOUND_NAME> (5,292)
WAY-310565-A

>  <BAR_CODE_NO> (5,292)
3914797

$$$$
WAY-344282
csChFnd80/06171916332D

 29 32  0  0  0  0  0  0  0  0999 V2000
    2.4203   -0.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7099   -0.0101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4168   -1.2481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1341   -0.0101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7099    0.8140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9962   -0.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6962   -1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1203   -1.6584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1341    0.8140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9962    1.2278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4203    1.2278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2824   -0.0101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6962   -2.4791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1203   -2.4791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8582    1.2278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2789    0.8140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4099   -2.8929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4418    1.2278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1556    0.8071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8797    1.2140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5901    0.8036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8832    2.0450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3038    1.2140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5901   -0.0239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0211    0.8036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3038   -0.4343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0211   -0.0239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7452   -0.4446    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4659   -0.0239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  2  0  0  0  0
  9 15  2  0  0  0  0
 10 16  1  0  0  0  0
 13 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
 21 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
  9 11  1  0  0  0  0
 12 16  2  0  0  0  0
 14 17  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (5,293)
5293

>  <Formula> (5,293)
C24H18O5

>  <MolWeight> (5,293)
386.39672

>  <COMPOUND_NAME> (5,293)
WAY-344282

>  <BAR_CODE_NO> (5,293)
2554456

$$$$
WAY-344846
csChFnd80/06171916332D

 14 15  0  0  0  0  0  0  0  0999 V2000
    6.2042   -2.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0375   -2.4167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7167   -3.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9542   -1.6250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2917   -1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6250   -1.1375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9750   -3.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8917   -3.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3042   -4.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6417   -3.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0875   -1.3667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.5250   -3.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7625   -4.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1875   -3.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  3  2  0  0  0  0
  8  3  1  0  0  0  0
  9  7  1  0  0  0  0
 10  8  2  0  0  0  0
 11  5  1  0  0  0  0
 12  2  1  0  0  0  0
 13  7  1  0  0  0  0
 14 12  1  0  0  0  0
  5  6  2  0  0  0  0
 10  9  1  0  0  0  0
M  END
>  <Mol_ID> (5,294)
5294

>  <Formula> (5,294)
C9H11N3OS

>  <MolWeight> (5,294)
209.26814

>  <COMPOUND_NAME> (5,294)
WAY-344846

>  <BAR_CODE_NO> (5,294)
2555276

$$$$
WAY-310768
csChFnd80/06171916332D

 17 18  0  0  0  0  0  0  0  0999 V2000
    1.6229    0.7954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7436    0.1367    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4850    0.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9057    2.0747    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7057    1.0160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9057   -1.1633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6564    0.8160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1850    2.1954    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9850    0.7367    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.8436   -1.9426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7943    0.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9150    0.8160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7943   -1.1426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0564    0.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9150   -1.8046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0564   -1.1633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1943   -1.8426    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
  5  8  2  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <Mol_ID> (5,295)
5295

>  <Formula> (5,295)
C11H12BrN3OS

>  <MolWeight> (5,295)
314.20148

>  <COMPOUND_NAME> (5,295)
WAY-310768

>  <BAR_CODE_NO> (5,295)
3915036

$$$$
WAY-224289
csChFnd80/06171916332D

 13 14  0  0  0  0  0  0  0  0999 V2000
    0.8624   -0.2218    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3644    0.1232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5504    0.7082    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3454    0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1594    0.7082    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1936   -0.0838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6586    0.2852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9094   -0.0568    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2166    0.0722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6816    0.4442    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.2836   -0.6868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8446   -0.9028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3126   -0.5188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  4  5  2  0  0  0  0
  6  2  1  0  0  0  0
  7  6  1  0  0  0  0
  8  4  1  0  0  0  0
  7  9  2  0  0  0  0
 10  9  1  0  0  0  0
 11  6  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
  5  3  1  0  0  0  0
  9 13  1  0  0  0  0
M  END
>  <Mol_ID> (5,296)
5296

>  <Formula> (5,296)
C8H6BrN3S

>  <MolWeight> (5,296)
256.12234

>  <COMPOUND_NAME> (5,296)
WAY-224289

>  <BAR_CODE_NO> (5,296)
3916621

$$$$
WAY-311636
csChFnd80/06171916332D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -1.6862    0.3828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7862    0.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8103   -0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2138    1.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6103    0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0862   -1.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1897    0.2000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.9103   -1.5690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0621    1.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8103    2.4690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7345    0.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2103   -1.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2862   -0.2690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0345   -0.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2138    0.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000   -0.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4517   -1.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2207    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5207   -1.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3000    0.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4724   -0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
 11 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
  7  9  1  0  0  0  0
 12 14  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (5,297)
5297

>  <Formula> (5,297)
C17H16N2O2

>  <MolWeight> (5,297)
280.32114

>  <COMPOUND_NAME> (5,297)
WAY-311636

>  <BAR_CODE_NO> (5,297)
3916071

$$$$
GI-559377
csChFnd80/06171916332D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -0.6246    0.6857    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2013    0.6857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2446   -0.6377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3276    1.8868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9438   -0.6813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9438    2.0135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6946   -0.1834    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.2533   -2.0877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7776    1.3496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0874    3.3805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5205   -0.6813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5205    2.0135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8957   -1.1137    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2630    0.6857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3066   -2.0484    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7297   -2.6249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2802   -0.5547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9090   -3.5596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5032   -1.4675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3154   -2.9787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
  7  9  1  0  0  0  0
 12 14  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (5,298)
5298

>  <Formula> (5,298)
C14H15ClN2O3

>  <MolWeight> (5,298)
294.7335

>  <COMPOUND_NAME> (5,298)
GI-559377

>  <BAR_CODE_NO> (5,298)
3917743

$$$$
WAY-343996
csChFnd80/06171916332D

 18 20  0  0  0  0  0  0  0  0999 V2000
    4.6042    0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4000    0.0375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9542   -0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    1.0958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8667    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3542    1.3708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875   -1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1667   -0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8042   -0.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2125   -1.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7042   -0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6917    0.7208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.6667   -1.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3917   -1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6167   -0.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0250   -1.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917   -2.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6125   -2.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  3  2  0  0  0  0
  8  3  1  0  0  0  0
  9  2  1  0  0  0  0
 10  7  1  0  0  0  0
 11  8  2  0  0  0  0
 12  5  1  0  0  0  0
 13  7  1  0  0  0  0
 14  9  2  0  0  0  0
 15  9  1  0  0  0  0
 16 15  2  0  0  0  0
 17 14  1  0  0  0  0
 18 16  1  0  0  0  0
  6  5  2  0  0  0  0
 10 11  1  0  0  0  0
 18 17  2  0  0  0  0
M  END
>  <Mol_ID> (5,299)
5299

>  <Formula> (5,299)
C13H11N3OS

>  <MolWeight> (5,299)
257.31094

>  <COMPOUND_NAME> (5,299)
WAY-343996

>  <BAR_CODE_NO> (5,299)
2554481

$$$$
WAY-310364
csChFnd80/06171916332D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -1.4793   -0.5897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1931   -1.0034    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7586   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4931    0.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9034   -1.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7793   -1.7172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6034   -0.2897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0552   -0.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7724    0.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6172   -1.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9034   -2.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0552    0.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3310   -1.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6172   -2.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6586    0.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3310   -2.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3793    0.2517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6586    1.4828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0897    0.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8069    0.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0828    1.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5172    0.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7828    1.9103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5172    1.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2276    1.9207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9448    1.5207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2207    2.7448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
  9 12  1  0  0  0  0
 14 16  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (5,300)
5300

>  <Formula> (5,300)
C21H26N2O3S

>  <MolWeight> (5,300)
386.50774

>  <COMPOUND_NAME> (5,300)
WAY-310364

>  <BAR_CODE_NO> (5,300)
3914578

$$$$
WAY-310379
csChFnd80/06171916332D

 29 31  0  0  0  0  0  0  0  0999 V2000
   -1.1276   -0.3793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414   -0.7931    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4138   -0.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1414    0.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5517   -1.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4310   -1.5034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2586   -0.0793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2966   -0.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4276    0.8621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2690   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5517   -2.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2931    0.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9828   -1.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2690   -2.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0103    0.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9828   -2.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7207    0.4621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0069    1.6966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6931   -2.4552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4345    0.8828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6931   -3.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1552    0.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4310    1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8586    0.8828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1345    2.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8586    1.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5724    2.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2931    1.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5690    2.9586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
  9 12  1  0  0  0  0
 14 16  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (5,301)
5301

>  <Formula> (5,301)
C22H28N2O4S

>  <MolWeight> (5,301)
416.53372

>  <COMPOUND_NAME> (5,301)
WAY-310379

>  <BAR_CODE_NO> (5,301)
3914593

$$$$
WAY-311446
csChFnd80/06171916332D

 33 36  0  0  0  0  0  0  0  0999 V2000
   -2.3690   -1.3379    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6586   -0.9241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0828   -1.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9621   -2.0483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7862   -0.6241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9448   -1.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6690   -0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0828   -2.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8000   -1.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2310   -0.9103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9586    0.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8000   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5103   -1.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2379   -0.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5103   -2.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4793    0.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2241   -3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1931   -0.0828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4759    1.1517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2241   -3.8241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9069    0.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9000    1.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6276   -0.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6069    1.5759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3310    0.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3310    1.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0414    1.5897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0310    2.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7414    2.8276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3172    2.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7379    3.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3069    3.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0172    4.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  1  5  2  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  2  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 29 31  1  0  0  0  0
 30 32  2  0  0  0  0
 31 33  2  0  0  0  0
 11 14  1  0  0  0  0
 13 15  2  0  0  0  0
 25 26  2  0  0  0  0
 32 33  1  0  0  0  0
M  END
>  <Mol_ID> (5,302)
5302

>  <Formula> (5,302)
C25H26N2O5S

>  <MolWeight> (5,302)
466.54934

>  <COMPOUND_NAME> (5,302)
WAY-311446

>  <BAR_CODE_NO> (5,302)
3915833

$$$$
GI-557977
csChFnd80/06171916332D

 25 28  0  0  0  0  0  0  0  0999 V2000
    0.8417    1.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292    2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2500   -1.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417    3.0583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0917    0.9375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542    1.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042   -1.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5583   -0.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417    0.3208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083   -1.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0500   -2.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583   -2.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1542    2.3958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042   -0.6292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8125   -0.1167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583    1.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583    3.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042   -3.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4083   -2.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708    1.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1583   -3.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3458   -3.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  8  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  1  0  0  0  0
  7  6  2  0  0  0  0
  8 11  1  0  0  0  0
  9  3  1  0  0  0  0
 10  3  2  0  0  0  0
 11  5  1  0  0  0  0
 12 10  1  0  0  0  0
 13  9  2  0  0  0  0
 14 12  2  0  0  0  0
 15  2  2  0  0  0  0
 16  8  2  0  0  0  0
 17 10  1  0  0  0  0
 18  6  1  0  0  0  0
 19  7  1  0  0  0  0
 20 13  1  0  0  0  0
 21 14  1  0  0  0  0
 22 18  2  0  0  0  0
 23 22  1  0  0  0  0
 24 21  2  0  0  0  0
 25 20  2  0  0  0  0
  4  7  1  0  0  0  0
 19 23  2  0  0  0  0
 14 13  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (5,303)
5303

>  <Formula> (5,303)
C19H13N3O3

>  <MolWeight> (5,303)
331.32482

>  <COMPOUND_NAME> (5,303)
GI-557977

>  <BAR_CODE_NO> (5,303)
3917708

$$$$
WAY-312969
csChFnd80/06171916332D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -0.9458    1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333   -0.3792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6458    0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8500    1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1458    0.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000    1.8458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542    2.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167    2.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792    1.8458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4833   -1.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375   -0.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042    1.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042    3.3833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7333   -1.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3958    1.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7500    1.0458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9833   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917    3.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1375    1.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -2.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667   -1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3500    1.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1042    3.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6458    0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6167    2.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8375   -1.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042   -3.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167   -2.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  1  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  6  1  0  0  0  0
 10  2  1  0  0  0  0
 11  3  2  0  0  0  0
 12  7  2  0  0  0  0
 13  8  2  0  0  0  0
 14 10  1  0  0  0  0
 15  4  1  0  0  0  0
 16 12  1  0  0  0  0
 17  5  1  0  0  0  0
 18  7  1  0  0  0  0
 19 12  1  0  0  0  0
 20 14  2  0  0  0  0
 21 14  1  0  0  0  0
 22 15  2  0  0  0  0
 23 18  2  0  0  0  0
 24 22  1  0  0  0  0
 25 23  1  0  0  0  0
 26 21  2  0  0  0  0
 27 20  1  0  0  0  0
 28 26  1  0  0  0  0
  2  5  1  0  0  0  0
 17 24  2  0  0  0  0
 19 25  2  0  0  0  0
 28 27  2  0  0  0  0
M  END
>  <Mol_ID> (5,304)
5304

>  <Formula> (5,304)
C22H17N3O3

>  <MolWeight> (5,304)
371.38868

>  <COMPOUND_NAME> (5,304)
WAY-312969

>  <BAR_CODE_NO> (5,304)
3917730

$$$$
WAY-312970
csChFnd80/06171916332D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -0.8931    0.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1552    0.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9345   -0.3310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4207    0.9690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2448   -0.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0586    1.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2552   -0.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5931   -0.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2172    1.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0172   -0.1069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4828    1.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1034   -1.3931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2828   -0.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4448    0.5241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9345   -0.7931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3172    0.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2172    0.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6172   -0.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9828    0.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5448   -0.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6448    1.0931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6345    0.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3069   -0.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1069   -0.8655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6276   -0.9931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4276   -1.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1828   -1.6138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
 10 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 17 21  2  0  0  0  0
 18 22  1  0  0  0  0
 20 23  2  0  0  0  0
 20 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  2  0  0  0  0
  5  7  1  0  0  0  0
  9 11  1  0  0  0  0
 19 22  2  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (5,305)
5305

>  <Formula> (5,305)
C21H16N4O2

>  <MolWeight> (5,305)
356.37734

>  <COMPOUND_NAME> (5,305)
WAY-312970

>  <BAR_CODE_NO> (5,305)
3917731

$$$$
CL-281092
csChFnd80/06171916332D

 24 26  0  0  0  0  0  0  0  0999 V2000
    1.8475   -0.2144    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2819   -1.2109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7888   -0.0696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3233    0.7201    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6406   -2.0385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3406   -1.2730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6440    0.9891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0199   -0.7523    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5957    1.4442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4440    0.9270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1164   -3.0351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7957   -2.2247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2698    1.5684    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7026    2.5235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1543   -3.1385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2215    1.0304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1353    1.5684    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2215   -0.0489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0491    1.0304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9388    1.6097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0698   -0.0075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8939    1.0511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0008   -0.5247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8939    0.0753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  9 14  1  0  0  0  0
 11 15  2  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
  7  9  2  0  0  0  0
 12 15  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (5,306)
5306

>  <Formula> (5,306)
C18H18N4O2

>  <MolWeight> (5,306)
322.36112

>  <COMPOUND_NAME> (5,306)
CL-281092

>  <BAR_CODE_NO> (5,306)
3916039

$$$$
WAY-311707
csChFnd80/06171916332D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -3.1138    0.6621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1172   -0.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8690    0.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7310    1.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4966   -0.4172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7379   -0.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8724   -0.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3172    1.1759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3517    0.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3586   -0.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3690   -0.5621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6690    0.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0241    1.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6172    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0310    1.9241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2690    1.1759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9172    0.8034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9069    0.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5448   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2483   -0.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3517   -1.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7690   -0.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8621   -1.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5759   -1.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0931   -1.8621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9069   -2.5759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  6 10  2  0  0  0  0
  7 11  2  0  0  0  0
  8 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
  5  7  1  0  0  0  0
  9 10  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (5,307)
5307

>  <Formula> (5,307)
C18H16N4O4

>  <MolWeight> (5,307)
352.34404

>  <COMPOUND_NAME> (5,307)
WAY-311707

>  <BAR_CODE_NO> (5,307)
3916178

$$$$
WAY-343972
csChFnd80/06171916332D

 19 20  0  0  0  0  0  0  0  0999 V2000
    0.5417   -1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1708   -1.6417    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2542   -1.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417   -2.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542   -2.4667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1708   -2.4667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8875   -1.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2625    0.0208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6458   -1.5667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417   -3.7042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1750    0.0208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9750   -0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2000   -0.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7875   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9792   -1.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542    0.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9667    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5375    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  6  1  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8  2  1  0  0  0  0
  9  4  1  0  0  0  0
 10  8  1  0  0  0  0
 11  5  2  0  0  0  0
 12  4  2  0  0  0  0
 13  8  2  0  0  0  0
 14 10  1  0  0  0  0
 15 13  1  0  0  0  0
 16  3  1  0  0  0  0
 17  9  1  0  0  0  0
 18 17  1  0  0  0  0
 19 17  1  0  0  0  0
  7  5  1  0  0  0  0
 15 14  2  0  0  0  0
M  END
>  <Mol_ID> (5,308)
5308

>  <Formula> (5,308)
C13H16N2O2S2

>  <MolWeight> (5,308)
296.40834

>  <COMPOUND_NAME> (5,308)
WAY-343972

>  <BAR_CODE_NO> (5,308)
2554127

$$$$
WAY-226055
csChFnd80/06171916332D

 30 33  0  0  0  0  0  0  0  0999 V2000
    4.7524    5.5401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6428    4.1537    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9549    6.3593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0892    5.5926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2355    4.1537    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.4291    5.9864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0966    3.6024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1799    2.5049    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7156    3.7547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2798    3.1403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4178    6.0652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4170    2.3526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2512    1.5964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1386    7.4043    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3683    5.0360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0022    7.7998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4883    3.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9565    3.4343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7786    1.8117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8379    3.3608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4681    1.0450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8229    0.7509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0480    2.3736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8251    2.2370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5491    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.9872    5.4876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6922    3.6286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6279    2.6939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.5371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2941    3.1192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  9  2  0  0  0  0
  8 24  1  0  0  0  0
  9  8  1  0  0  0  0
 10  5  1  0  0  0  0
 11  4  2  0  0  0  0
 12 13  2  0  0  0  0
 13  8  1  0  0  0  0
 14  6  2  0  0  0  0
 15  6  1  0  0  0  0
 16  3  1  0  0  0  0
 17  2  1  0  0  0  0
 18 10  2  0  0  0  0
 19 10  1  0  0  0  0
 20 17  1  0  0  0  0
 21 22  1  0  0  0  0
 22 19  2  0  0  0  0
 23 18  1  0  0  0  0
 24 20  1  0  0  0  0
 25 21  1  0  0  0  0
 26 15  1  0  0  0  0
 27 15  2  0  0  0  0
 28 27  1  0  0  0  0
 29 26  2  0  0  0  0
 30 28  2  0  0  0  0
  4  2  1  0  0  0  0
 21 23  2  0  0  0  0
 30 29  1  0  0  0  0
  7 12  1  0  0  0  0
M  END
>  <Mol_ID> (5,309)
5309

>  <Formula> (5,309)
C23H20ClN3O3

>  <MolWeight> (5,309)
421.8762

>  <COMPOUND_NAME> (5,309)
WAY-226055

>  <BAR_CODE_NO> (5,309)
3916156

$$$$
WAY-240007
csChFnd80/06171916332D

 31 34  0  0  0  0  0  0  0  0999 V2000
    5.4735   -4.5030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4680   -2.2925    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7720   -2.2925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6085   -0.9825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7660   -4.5030    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.0820   -6.3980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7310    6.8655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8945    3.6020    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000    4.5495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1345   -6.3980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6085    1.3215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7895   -6.1755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4855    7.3335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3160    5.3335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0525   -8.5265    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5380   -1.5905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6785   -1.5905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4155   -6.1755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1520   -8.5030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4330   -8.0120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8540   -4.0350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1930    0.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7950   -5.6260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8365  -10.1170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8245   -7.7660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7835   -8.0120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4035   -3.7895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5440  -10.3860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3800    1.3565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0875   -5.3800    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.2050  -12.0120    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  9  2  0  0  0  0
  8 29  1  0  0  0  0
  9  8  1  0  0  0  0
 10  5  1  0  0  0  0
 11  4  2  0  0  0  0
 12  6  1  0  0  0  0
 13 14  2  0  0  0  0
 14  8  1  0  0  0  0
 15  6  2  0  0  0  0
 16  3  1  0  0  0  0
 17  2  1  0  0  0  0
 18 10  1  0  0  0  0
 19 10  2  0  0  0  0
 20 12  1  0  0  0  0
 21 12  2  0  0  0  0
 22 17  1  0  0  0  0
 23 27  2  0  0  0  0
 24 28  2  0  0  0  0
 25 20  2  0  0  0  0
 26 18  2  0  0  0  0
 27 21  1  0  0  0  0
 28 19  1  0  0  0  0
 29 22  1  0  0  0  0
 30 23  1  0  0  0  0
 31 24  1  0  0  0  0
  4  2  1  0  0  0  0
 23 25  1  0  0  0  0
 26 24  1  0  0  0  0
 13  7  1  0  0  0  0
M  END
>  <Mol_ID> (5,310)
5310

>  <Formula> (5,310)
C23H19F2N3O3

>  <MolWeight> (5,310)
423.4120664

>  <COMPOUND_NAME> (5,310)
WAY-240007

>  <BAR_CODE_NO> (5,310)
3914740

$$$$
WL-309756
csChFnd80/06171916332D

 12 13  0  0  0  0  0  0  0  0999 V2000
    0.7810   -0.7853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7810    0.5630    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3914   -1.4681    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9534   -1.4681    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3914    1.2388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1328    0.5630    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5638   -0.7853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1328   -0.7853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5638    0.5630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3914    2.5940    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7397   -1.4681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7397    1.2388    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
  6  8  2  0  0  0  0
  7  9  1  0  0  0  0
M  END
>  <Mol_ID> (5,311)
5311

>  <Formula> (5,311)
C6H5ClN4O

>  <MolWeight> (5,311)
184.5831

>  <COMPOUND_NAME> (5,311)
WL-309756

>  <BAR_CODE_NO> (5,311)
3915832

$$$$
CL-300619
csChFnd80/06171916332D

 20 23  0  0  0  0  0  0  0  0999 V2000
   -0.5252   -0.5536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8183    0.3430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2907   -1.1122    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3955   -0.7467    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7666    0.3430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1873    1.0464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0597   -0.5570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0300   -0.0398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4045    1.0430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7334    0.8533    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4838    1.9499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9907   -0.7570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9610   -0.2363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3321    0.8395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6286   -0.0536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2541   -1.1398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5921    0.4637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1817   -1.3329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5196    0.2740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8196   -0.6260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
 13 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
  5  7  2  0  0  0  0
  8 10  2  0  0  0  0
 14 15  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (5,312)
5312

>  <Formula> (5,312)
C16H14N2OS

>  <MolWeight> (5,312)
282.36016

>  <COMPOUND_NAME> (5,312)
CL-300619

>  <BAR_CODE_NO> (5,312)
3916077

$$$$
WAY-310445
csChFnd80/06171916332D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -1.0586   -0.5445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0586    0.2037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3414   -0.7790    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7069   -0.9204    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3414    0.4348    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7069    0.5796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0966   -0.1721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3552   -0.5445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7069   -1.6721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1172    1.1555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3552    0.2037    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7069    1.3279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8448   -0.1721    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0034   -0.9204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0034    0.5796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2207   -0.8204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9724   -0.8204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3448   -0.1721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9724    0.4796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0966   -0.1652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3448    1.1279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4724    0.4831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0966    1.1279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 14  2  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
  5  7  1  0  0  0  0
  8 11  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (5,313)
5313

>  <Formula> (5,313)
C16H19N5O2

>  <MolWeight> (5,313)
313.35436

>  <COMPOUND_NAME> (5,313)
WAY-310445

>  <BAR_CODE_NO> (5,313)
3914662

$$$$
WAY-310766
csChFnd80/06171916332D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -0.3793    0.2345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0414   -0.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2103   -0.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2034    0.8172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8586   -0.4828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4414   -1.1655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2103   -0.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9310    0.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0103    1.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2655    0.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2690   -1.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9310   -1.3138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6586   -0.0828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9310    1.1586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5690    2.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0897    0.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0828   -1.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6586   -0.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9310   -2.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3586    2.9931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3897    2.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4966   -0.4897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3931   -1.3138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3207   -0.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7310    0.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  2  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
 12 19  1  0  0  0  0
 15 20  1  0  0  0  0
 15 21  1  0  0  0  0
 16 22  1  0  0  0  0
 18 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
  6  7  1  0  0  0  0
 13 18  1  0  0  0  0
 17 22  1  0  0  0  0
M  END
>  <Mol_ID> (5,314)
5314

>  <Formula> (5,314)
C17H28N6O2

>  <MolWeight> (5,314)
348.44322

>  <COMPOUND_NAME> (5,314)
WAY-310766

>  <BAR_CODE_NO> (5,314)
3915034

$$$$
CL-407669
csChFnd80/06171916332D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -0.4552    0.2654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6138    0.2551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0759   -0.8346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2345    1.2344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9759   -0.8553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4034    1.1137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0655   -1.0656    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0241   -1.5346    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4034    1.1137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1138   -1.1035    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5345    0.8758    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0655    2.2344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1345   -2.2346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0241   -0.4139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0862    2.0654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8966   -0.2449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4966   -2.2242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1759   -2.7553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0862   -0.9346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2655    1.9551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0345   -0.4967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1552   -2.1139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9448    2.9033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1138    2.7965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 10 17  1  0  0  0  0
 13 18  1  0  0  0  0
 14 19  1  0  0  0  0
 15 20  1  0  0  0  0
 16 21  2  0  0  0  0
 18 22  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
  5  8  1  0  0  0  0
 11 16  1  0  0  0  0
 19 22  1  0  0  0  0
M  END
>  <Mol_ID> (5,315)
5315

>  <Formula> (5,315)
C17H27N5O2

>  <MolWeight> (5,315)
333.42858

>  <COMPOUND_NAME> (5,315)
CL-407669

>  <BAR_CODE_NO> (5,315)
3918223

$$$$
CL-409822
csChFnd80/06171916332D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -1.6761   -2.4988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1842   -1.9892    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6761   -4.0521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0207   -1.7007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7183   -3.2540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2149   -0.4789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1719   -4.5187    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0207   -4.8318    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3775   -2.4988    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0207   -0.1351    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4988   -3.3276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7252   -0.0614    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -4.3775   -4.0582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0207   -6.3974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0636   -4.5494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2785   -2.1673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1181    1.4551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8426   -1.1665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7282   -4.8380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7029   -4.6599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7520   -2.1673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6346    1.8603    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4458   -3.4811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0214    3.3768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5256    3.7820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9040    4.4635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9247    5.3046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2969    5.9738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8134    6.3974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 12 18  1  0  0  0  0
 13 19  2  0  0  0  0
 15 20  1  0  0  0  0
 16 21  1  0  0  0  0
 17 22  1  0  0  0  0
 20 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  2  0  0  0  0
 27 29  2  0  0  0  0
  5  7  2  0  0  0  0
  9 13  1  0  0  0  0
 21 23  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (5,316)
5316

>  <Formula> (5,316)
C20H25N5O4

>  <MolWeight> (5,316)
399.4436

>  <COMPOUND_NAME> (5,316)
CL-409822

>  <BAR_CODE_NO> (5,316)
3915242

$$$$
CL-417513
csChFnd80/06171916332D

 35 39  0  0  0  0  0  0  0  0999 V2000
   -1.0317    0.1675    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2937   -0.4153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4282    0.7054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3627    0.0675    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9386   -0.4911    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8282   -0.8842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0558    0.6089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1765    1.3296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2455   -0.5773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3420    0.0503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9455    1.9571    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5420    1.0744    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8041    1.5640    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.3166   -0.9256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9868   -0.0222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9201   -0.6049    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2925   -1.6049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3627    0.5158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2455   -0.6291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9201    0.0261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5028   -0.9566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0179    0.4434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9006   -0.6946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5028    0.3744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0856   -0.6291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2937   -0.1394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0856    0.0503    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6477    0.3744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2304    0.0261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6477    1.0261    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2304   -0.6049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8132    0.3537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8132   -0.9566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3959    0.0261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3959   -0.6049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  1  0  0  0  0
 15 19  2  0  0  0  0
 16 20  1  0  0  0  0
 16 21  1  0  0  0  0
 18 22  2  0  0  0  0
 19 23  1  0  0  0  0
 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
 22 26  1  0  0  0  0
 24 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
 29 31  1  0  0  0  0
 29 32  2  0  0  0  0
 31 33  2  0  0  0  0
 32 34  1  0  0  0  0
 33 35  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
 23 26  2  0  0  0  0
 25 27  1  0  0  0  0
 34 35  2  0  0  0  0
M  END
>  <Mol_ID> (5,317)
5317

>  <Formula> (5,317)
C25H20F3N5O2

>  <MolWeight> (5,317)
479.4538096

>  <COMPOUND_NAME> (5,317)
CL-417513

>  <BAR_CODE_NO> (5,317)
3918225

$$$$
WAY-233765
csChFnd80/06171916332D

 22 24  0  0  0  0  0  0  0  0999 V2000
    2.5936   -0.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1764   -1.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0419   -0.2379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4246   -0.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3764   -1.3862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5867   -2.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2867   -0.5759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8246   -1.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4039   -2.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5660   -0.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5660    0.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1581    1.0621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8616    1.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5823    1.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8754    2.2931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2961    1.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5823    0.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0133    1.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2961   -0.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0133    0.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7236    1.4621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4443    1.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  6  9  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
  5  7  2  0  0  0  0
  8  9  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (5,318)
5318

>  <Formula> (5,318)
C17H17N3O2

>  <MolWeight> (5,318)
295.33578

>  <COMPOUND_NAME> (5,318)
WAY-233765

>  <BAR_CODE_NO> (5,318)
3916169

$$$$
WAY-112273
csChFnd80/06171916332D

 23 26  0  0  0  0  0  0  0  0999 V2000
   -0.8896    1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7344    2.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8896    0.5881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1207    2.2571    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5241    3.0778    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6344    1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7344    0.0916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5207    3.1847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6103    0.5881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7344   -0.9153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0138    4.0571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8620   -1.4464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9828    4.0847    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0104   -0.9429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8620   -2.4602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8793   -1.4464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0104   -2.9567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8793   -2.4602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8380   -1.1326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8380   -2.7464    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3897   -1.9533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4035   -1.9533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9000   -2.8015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  6  9  2  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
  5  8  1  0  0  0  0
  7  9  1  0  0  0  0
 17 18  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (5,319)
5319

>  <Formula> (5,319)
C17H16N4O2

>  <MolWeight> (5,319)
308.33454

>  <COMPOUND_NAME> (5,319)
WAY-112273

>  <BAR_CODE_NO> (5,319)
3915310

$$$$
WAY-241669
csChFnd80/06171916332D

 25 28  0  0  0  0  0  0  0  0999 V2000
    1.3931    0.0135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8690    0.6928    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1172   -0.7313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2345    0.1894    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3862    1.2997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0483    0.7514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6172   -1.3382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3862   -1.0210    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2345    0.9790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2069    2.0894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5690    0.1997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1966   -2.0003    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4345   -1.8072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8966    1.4618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8586    2.5687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3517    0.4618    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4034   -0.6072    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7103    2.2514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9655   -0.0831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8034   -0.8831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7414    0.1790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4069   -1.4244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3517   -0.3624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1897   -1.1693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8069   -1.7106    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  2  0  0  0  0
 11 16  1  0  0  0  0
 11 17  2  0  0  0  0
 14 18  2  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
  5  9  2  0  0  0  0
 12 13  2  0  0  0  0
 15 18  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (5,320)
5320

>  <Formula> (5,320)
C18H13ClN4OS

>  <MolWeight> (5,320)
368.84002

>  <COMPOUND_NAME> (5,320)
WAY-241669

>  <BAR_CODE_NO> (5,320)
3914908

$$$$
WAY-310848
csChFnd80/06171916332D

 29 32  0  0  0  0  0  0  0  0999 V2000
    0.2897    0.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2897    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7897    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1690   -0.1172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1690    0.9586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7897    0.8586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9897   -0.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0897    0.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6483    0.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6483    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1690    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5069   -0.6655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6310   -0.9414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0931   -0.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7103    1.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1690    2.0379    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.3690    1.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6552   -1.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8828   -0.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0931   -0.6621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5690    0.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1897   -1.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4034   -0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5483   -0.9414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0103   -0.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5552   -0.9138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0103   -0.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4690   -0.9793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9552   -0.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  2  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
 12 19  1  0  0  0  0
 14 20  2  0  0  0  0
 14 21  1  0  0  0  0
 18 22  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  1  0  0  0  0
 21 25  2  0  0  0  0
 22 26  1  0  0  0  0
 24 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
  6  8  2  0  0  0  0
  9 10  1  0  0  0  0
 23 26  1  0  0  0  0
 25 27  1  0  0  0  0
M  END
>  <Mol_ID> (5,321)
5321

>  <Formula> (5,321)
C19H17F3N4O3

>  <MolWeight> (5,321)
406.3584896

>  <COMPOUND_NAME> (5,321)
WAY-310848

>  <BAR_CODE_NO> (5,321)
3915132

$$$$
WAY-311610
csChFnd80/06171916332D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -0.0724    0.1997    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3138    0.9135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0724   -1.2624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2621    0.6445    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5586    0.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3138    2.3825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2621   -1.7175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3138   -1.9762    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1517   -0.5141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5586   -1.2244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7828    2.3825    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3138    3.7963    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.1034    2.3825    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.5793   -0.5141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8069   -1.9382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2897    0.7376    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3276   -1.7555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1069   -1.3106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0310   -3.3589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8448    2.1204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7552    0.7376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0759   -2.3382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4586   -3.6279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0034    2.9618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2000    2.1204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 16 21  1  0  0  0  0
 18 22  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  2  0  0  0  0
 22 23  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (5,322)
5322

>  <Formula> (5,322)
C16H13F3N4O2

>  <MolWeight> (5,322)
350.2952296

>  <COMPOUND_NAME> (5,322)
WAY-311610

>  <BAR_CODE_NO> (5,322)
3916037

$$$$
WAY-313170
csChFnd80/06171916332D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -1.5448    0.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7069    0.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5448   -0.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9310    0.6483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7069   -0.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8621    0.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9310   -0.7034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1241   -0.6828    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3310    0.3310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9310    1.3483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2828   -0.6828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8621   -0.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3310   -0.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2759    0.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2931   -0.6069    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2690    1.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9276   -0.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5172   -0.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1276   -0.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5069   -1.4310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1069    0.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7414   -0.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7172    0.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3552   -0.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3379    0.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9172    0.7793    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  2  0  0  0  0
  9 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 19 22  2  0  0  0  0
 21 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
  5  8  1  0  0  0  0
  9 13  1  0  0  0  0
 11 12  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (5,323)
5323

>  <Formula> (5,323)
C19H17ClN2O2S2

>  <MolWeight> (5,323)
404.93348

>  <COMPOUND_NAME> (5,323)
WAY-313170

>  <BAR_CODE_NO> (5,323)
3917978

$$$$
WAY-310594
csChFnd80/06171916332D

 34 37  0  0  0  0  0  0  0  0999 V2000
   -0.6504    0.4451    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1292   -0.9764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6421    1.5705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8495    0.4290    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5997   -1.2726    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0748   -1.8711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1126    1.2744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1634    2.9920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2977   -1.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5914   -0.1472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4125    3.8224    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.2111    2.3912    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4450    4.3088    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.7193   -1.4812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0618   -0.4433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8447   -0.4895    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0154   -2.9517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5406   -1.8649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0536    0.6821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2662   -0.9683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0111   -2.1610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5240    0.3859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3916    0.0234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5624   -2.4387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0028   -1.0356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8131   -0.4553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0955    1.4939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9839   -2.9175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4733   -1.3318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1093   -1.9258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4392    2.1606    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.5485    2.8906    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.6564    1.0707    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4650   -0.2064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  1  0  0  0  0
 15 19  2  0  0  0  0
 16 20  1  0  0  0  0
 18 21  2  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 20 24  2  0  0  0  0
 21 25  1  0  0  0  0
 23 26  2  0  0  0  0
 23 27  1  0  0  0  0
 24 28  1  0  0  0  0
 25 29  1  0  0  0  0
 26 30  1  0  0  0  0
 27 31  1  0  0  0  0
 27 32  1  0  0  0  0
 27 33  1  0  0  0  0
 29 34  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
 22 25  2  0  0  0  0
 28 30  2  0  0  0  0
M  END
>  <Mol_ID> (5,324)
5324

>  <Formula> (5,324)
C22H14F6N4O2

>  <MolWeight> (5,324)
480.3625792

>  <COMPOUND_NAME> (5,324)
WAY-310594

>  <BAR_CODE_NO> (5,324)
3914828

$$$$
WAY-312567
csChFnd80/06171916332D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.5101    0.2860    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3688    0.5653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0101    1.0274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1895   -0.5519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3688    1.4653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1308    0.1067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5101    1.7274    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8899    1.0274    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7481   -1.2347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6899   -0.6933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1308    1.9067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9101    0.5481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3519    0.2481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4308   -2.0726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0105   -1.5347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9101    1.4653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2519    0.2481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4519   -2.2140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7105   -0.5140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2519   -1.2933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6105   -0.5140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
  5  7  1  0  0  0  0
 12 16  1  0  0  0  0
 15 18  1  0  0  0  0
M  END
>  <Mol_ID> (5,325)
5325

>  <Formula> (5,325)
C16H20N2O2S

>  <MolWeight> (5,325)
304.4072

>  <COMPOUND_NAME> (5,325)
WAY-312567

>  <BAR_CODE_NO> (5,325)
3917225

$$$$
WAY-312090
csChFnd80/06171916332D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -0.2552    0.5207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9724    0.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4517    0.1103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2552    1.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9793   -0.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6862    0.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1690    0.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1690    1.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8414    1.9345    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.6931   -1.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4069    0.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8793    0.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7586    1.9207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4069   -0.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8690   -0.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1207   -1.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5828   -1.1414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1586   -1.1310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5828   -1.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  2  0  0  0  0
 10 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 17 19  1  0  0  0  0
  7  8  1  0  0  0  0
 11 14  2  0  0  0  0
M  END
>  <Mol_ID> (5,326)
5326

>  <Formula> (5,326)
C14H11BrO4

>  <MolWeight> (5,326)
323.13874

>  <COMPOUND_NAME> (5,326)
WAY-312090

>  <BAR_CODE_NO> (5,326)
3916659

$$$$
WAY-116749
csChFnd80/06171916332D

 29 32  0  0  0  0  0  0  0  0999 V2000
    9.6967    0.7335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8300    2.1394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9637    0.1667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.2027    2.4060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9195    1.2337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6676    2.7672    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8956    2.0728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6676    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4964    0.0055    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8956    0.6724    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.8298    3.1006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2961    0.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1015    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4506    2.0728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4506    0.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1015    2.7672    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4962    2.7173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2961    2.0504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1633    4.4509    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8696    3.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3199    1.2668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2280    2.7672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2280    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1631    5.4067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2698    3.6898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0033    2.5005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8350    5.0344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  7  1  0  0  0  0
  7 10  1  0  0  0  0
  8 10  1  0  0  0  0
  9  1  1  0  0  0  0
 10 13  1  0  0  0  0
 11  2  1  0  0  0  0
 12  9  1  0  0  0  0
 13 12  1  0  0  0  0
 14 15  2  0  0  0  0
 15  8  1  0  0  0  0
 16  7  2  0  0  0  0
 17 11  2  0  0  0  0
 18 12  2  0  0  0  0
 19 11  1  0  0  0  0
 20  4  1  0  0  0  0
 21  5  1  0  0  0  0
 22 14  1  0  0  0  0
 23 15  1  0  0  0  0
 24 19  1  0  0  0  0
 25 20  1  0  0  0  0
 26 21  1  0  0  0  0
 27 24  1  0  0  0  0
 28 23  2  0  0  0  0
 29 28  1  0  0  0  0
  4  5  2  0  0  0  0
 25 26  1  0  0  0  0
 14  6  1  0  0  0  0
 22 29  2  0  0  0  0
M  END
>  <Mol_ID> (5,327)
5327

>  <Formula> (5,327)
C21H23N3O4S

>  <MolWeight> (5,327)
413.49002

>  <COMPOUND_NAME> (5,327)
WAY-116749

>  <BAR_CODE_NO> (5,327)
3915069

$$$$
WAY-311669
csChFnd80/06171916332D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -1.3069    0.3000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.9897   -0.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6172   -0.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3172    1.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9897   -0.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6793    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6172   -0.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0828    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9828    1.6034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6517    1.6138    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3069   -1.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6793   -1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3655   -0.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6793    1.0931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0828   -1.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7793   -0.1069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0828    1.0517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7310    2.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9069    2.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3655   -0.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4586    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1793   -0.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8828    0.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1724   -0.9379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6034   -0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8931   -1.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6103   -0.9379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3207   -1.3448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0345   -0.9310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  2  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  2  0  0  0  0
  9 18  1  0  0  0  0
 10 19  1  0  0  0  0
 12 20  1  0  0  0  0
 16 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
  7 11  1  0  0  0  0
 13 20  1  0  0  0  0
 18 19  2  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <Mol_ID> (5,328)
5328

>  <Formula> (5,328)
C23H23NO4S

>  <MolWeight> (5,328)
409.49802

>  <COMPOUND_NAME> (5,328)
WAY-311669

>  <BAR_CODE_NO> (5,328)
3916122

$$$$
WAY-238182
csChFnd80/06171916332D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.0621   -0.4061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2739    0.0979    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8559   -0.0701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3129   -0.8711    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6711   -0.4061    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8679   -0.6671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4681   -0.4061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3179    0.3199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9681    0.1159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9681   -0.9281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8621   -0.4061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7681    0.1159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5651   -0.9281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5651    0.1159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8759    0.0979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2189    0.8959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7681   -0.9281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2359    1.0639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3349    0.4879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6779    1.2709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6949    1.4359    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7 11  1  0  0  0  0
  8  3  1  0  0  0  0
  9  5  1  0  0  0  0
 10  5  1  0  0  0  0
 11 13  1  0  0  0  0
 12  7  2  0  0  0  0
 13 10  1  0  0  0  0
 14  9  1  0  0  0  0
 15  8  2  0  0  0  0
 16  8  1  0  0  0  0
 17  7  1  0  0  0  0
 18 20  1  0  0  0  0
 19 15  1  0  0  0  0
 16 20  2  0  0  0  0
 21 18  1  0  0  0  0
  3  6  2  0  0  0  0
 14 11  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (5,329)
5329

>  <Formula> (5,329)
C15H15ClN2O2S

>  <MolWeight> (5,329)
322.8098

>  <COMPOUND_NAME> (5,329)
WAY-238182

>  <BAR_CODE_NO> (5,329)
3916491

$$$$
WAY-313309
csChFnd80/06171916332D

 30 32  0  0  0  0  0  0  0  0999 V2000
    1.1276   -0.8241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9414   -0.8379    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7103   -1.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7483   -0.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7414   -0.8862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9621   -0.0379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9000   -1.6655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0862   -1.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0379   -0.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1655   -0.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4586   -0.7724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7897    0.4966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9621   -0.2034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2586   -0.7724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2138    1.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3793    0.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6724   -0.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0103    1.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8414    1.8966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2103    0.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4862   -0.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2724    0.6103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8862    0.5759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6862    0.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0724   -0.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0862    1.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8724   -0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6724   -0.8241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8724    1.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2897    0.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  8 11  2  0  0  0  0
 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 17 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
 26 29  2  0  0  0  0
 27 30  2  0  0  0  0
  9 11  1  0  0  0  0
 16 18  2  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (5,330)
5330

>  <Formula> (5,330)
C21H22N4O4S

>  <MolWeight> (5,330)
426.48878

>  <COMPOUND_NAME> (5,330)
WAY-313309

>  <BAR_CODE_NO> (5,330)
3918173

$$$$
WAY-342693
csChFnd80/06171916332D

 21 22  0  0  0  0  0  0  0  0999 V2000
   10.0292  -11.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7042   -6.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1250   -8.4792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5417   -7.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1292  -11.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4917  -12.2042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.7667   -7.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3917  -15.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8250  -14.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0417   -8.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4917  -15.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4667  -10.3125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3625  -13.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7250  -14.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7000  -12.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1625  -13.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8000  -12.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6917   -9.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7917   -9.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3667  -10.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8542  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  2  0  0  0  0
  3 18  1  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  2  0  0  0  0
  7 10  2  0  0  0  0
  8  9  1  0  0  0  0
  9 13  1  0  0  0  0
 10  3  1  0  0  0  0
 11  8  2  0  0  0  0
 12  1  1  0  0  0  0
 13 17  2  0  0  0  0
 14 16  1  0  0  0  0
 15  5  1  0  0  0  0
 16 15  2  0  0  0  0
 17 15  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 12  1  0  0  0  0
 21  8  1  0  0  0  0
  9 14  2  0  0  0  0
  7  2  1  0  0  0  0
M  END
>  <Mol_ID> (5,331)
5331

>  <Formula> (5,331)
C15H18N4OS

>  <MolWeight> (5,331)
302.39462

>  <COMPOUND_NAME> (5,331)
WAY-342693

>  <BAR_CODE_NO> (5,331)
2555150

$$$$
WAY-310749
csChFnd80/06171916332D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -0.7621    0.6690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000    0.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3517   -0.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4931    1.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000   -0.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3138    0.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8241   -0.7310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4483   -0.2586    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3207    1.6034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3138   -0.8793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0517    0.3552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3138    1.5966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6621   -1.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5862    2.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8483    0.9690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0517   -0.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3138   -1.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4586   -1.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6621    1.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7759   -0.8793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0345   -0.6828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6621   -2.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9379    1.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8241   -0.8966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -2.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0448   -1.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4069   -0.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  2  0  0  0  0
 10 16  1  0  0  0  0
 10 17  1  0  0  0  0
 13 18  1  0  0  0  0
 14 19  2  0  0  0  0
 15 20  1  0  0  0  0
 16 21  2  0  0  0  0
 18 22  1  0  0  0  0
 18 23  2  0  0  0  0
 19 24  1  0  0  0  0
 22 25  2  0  0  0  0
 23 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
  5  7  1  0  0  0  0
 11 16  1  0  0  0  0
 20 24  2  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <Mol_ID> (5,332)
5332

>  <Formula> (5,332)
C21H20N4O2S

>  <MolWeight> (5,332)
392.4741

>  <COMPOUND_NAME> (5,332)
WAY-310749

>  <BAR_CODE_NO> (5,332)
3915017

$$$$
WAY-313072
csChFnd80/06171916332D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -2.5833   -1.3167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2833   -0.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2833   -1.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6833   -0.8042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6833   -1.8292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3833   -1.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5833   -2.3375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5833   -0.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833   -1.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833   -0.8375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4375   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0375   -0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1833   -3.3875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1833    0.7208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1375   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3542    0.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1833   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1833   -2.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2833    0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2833   -2.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4833    0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4833   -2.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5833    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5833   -3.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9500    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1000    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3875    1.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9792    1.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  2  0  0  0  0
  6  5  1  0  0  0  0
  7  3  1  0  0  0  0
  8  2  1  0  0  0  0
  9  6  1  0  0  0  0
 10  9  1  0  0  0  0
 11 15  1  0  0  0  0
 12 11  2  0  0  0  0
 13 24  1  0  0  0  0
 14 23  1  0  0  0  0
 15 10  2  0  0  0  0
 16 12  1  0  0  0  0
 17  8  1  0  0  0  0
 18  7  1  0  0  0  0
 19  8  1  0  0  0  0
 20  7  1  0  0  0  0
 21 17  1  0  0  0  0
 22 18  1  0  0  0  0
 23 19  1  0  0  0  0
 24 20  1  0  0  0  0
 25 16  2  0  0  0  0
 26 16  1  0  0  0  0
 27 26  2  0  0  0  0
 28 25  1  0  0  0  0
 29 27  1  0  0  0  0
  4  6  2  0  0  0  0
 22 13  1  0  0  0  0
 14 21  1  0  0  0  0
 29 28  2  0  0  0  0
M  END
>  <Mol_ID> (5,333)
5333

>  <Formula> (5,333)
C20H25N7O2

>  <MolWeight> (5,333)
395.4582

>  <COMPOUND_NAME> (5,333)
WAY-313072

>  <BAR_CODE_NO> (5,333)
3917857

$$$$
SD-38074
csChFnd80/06171916332D

 14 15  0  0  0  0  0  0  0  0999 V2000
    0.0000   -0.1205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0034    0.7141    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7138   -0.5343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7138   -0.5308    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7138    1.1244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7103    1.1244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7138   -1.3619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7172   -1.3584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7172    1.9555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7138    1.9520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.7722    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4379   -1.7791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4345   -1.7791    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0034    2.3657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
  8 11  2  0  0  0  0
 10 14  1  0  0  0  0
M  END
>  <Mol_ID> (5,334)
5334

>  <Formula> (5,334)
C9H12ClN3O

>  <MolWeight> (5,334)
213.66408

>  <COMPOUND_NAME> (5,334)
SD-38074

>  <BAR_CODE_NO> (5,334)
1364450

$$$$
WAY-186744
csChFnd80/06171916332D

 12 13  0  0  0  0  0  0  0  0999 V2000
    0.1586   -0.0072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1103    0.0825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1586   -0.2865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4276    0.0825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2793   -0.1486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000    0.3514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1103   -0.3762    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4276   -0.3762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5897   -0.1486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5724   -0.1486    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0103    0.5618    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4793    0.4135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
  5  7  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <Mol_ID> (5,335)
5335

>  <Formula> (5,335)
C8H10N2OS

>  <MolWeight> (5,335)
182.2428

>  <COMPOUND_NAME> (5,335)
WAY-186744

>  <BAR_CODE_NO> (5,335)
3915545

$$$$
CL-278474
csChFnd80/06171916332D

 21 23  0  0  0  0  0  0  0  0999 V2000
    6.4197    8.2648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2066    8.5147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4197    7.4353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7126    8.6848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7012    7.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4672    9.3016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2066    7.1853    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.7126    7.0311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    8.2648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5201    7.8501    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7277   10.0880    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    7.4353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9348    7.1428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7537    7.1428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5201    6.4143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1684    6.4143    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0032    6.4143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7537    5.7072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4020    5.7072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1684    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0032    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  3  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
  5  7  1  0  0  0  0
  9 12  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (5,336)
5336

>  <Formula> (5,336)
C16H21N3OS

>  <MolWeight> (5,336)
303.42244

>  <COMPOUND_NAME> (5,336)
CL-278474

>  <BAR_CODE_NO> (5,336)
3915933

$$$$
WAY-312157
csChFnd80/06171916332D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -1.7172    0.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3483    1.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2862   -0.9897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2655    1.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9207    0.5172    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4793    3.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3517   -1.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3379   -2.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4483    3.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9862    4.0483    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.3345   -2.5310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0000   -2.1414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6586   -3.9690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8483    5.7966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9931   -2.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8414   -1.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8034   -3.9690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8414    0.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2828   -0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
  5  7  1  0  0  0  0
  9 10  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (5,337)
5337

>  <Formula> (5,337)
C14H18N2O2S

>  <MolWeight> (5,337)
278.36992

>  <COMPOUND_NAME> (5,337)
WAY-312157

>  <BAR_CODE_NO> (5,337)
3916743

$$$$
WL-149027
csChFnd80/06171916332D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -0.6245    0.2651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0038    0.7065    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6245   -0.4935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2349    0.7065    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7065    0.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2452    1.4272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2763   -0.8728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0341   -0.8728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0038    1.4272    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2755    0.9755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8651   -0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2065    2.0375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2763   -1.6349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9349   -0.4935    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0341   -1.6349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9962    0.7444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5858   -0.5038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6245   -2.0038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1444    0.0065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  2  0  0  0  0
 10 16  1  0  0  0  0
 11 17  2  0  0  0  0
 13 18  2  0  0  0  0
 16 19  2  0  0  0  0
  6  9  2  0  0  0  0
 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (5,338)
5338

>  <Formula> (5,338)
C14H10ClN3S

>  <MolWeight> (5,338)
287.7673

>  <COMPOUND_NAME> (5,338)
WL-149027

>  <BAR_CODE_NO> (5,338)
3918178

$$$$
WL-164655
csChFnd80/06171916332D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -2.6657    0.1826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7795   -0.7243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3209   -0.3174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6105    1.6412    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5450   -2.1312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1209   -0.2312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4450    0.8205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2036    2.0205    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6554   -3.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2347   -1.1347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0170    0.8205    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9968   -2.5416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7481    2.0515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1791    2.0515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9101    0.7895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9101    3.3067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1791   -0.4623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3412    0.7895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9101   -1.7174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0412   -0.4623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3412   -1.7174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
  7  8  2  0  0  0  0
 10 12  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (5,339)
5339

>  <Formula> (5,339)
C16H12N2O2S

>  <MolWeight> (5,339)
296.34368

>  <COMPOUND_NAME> (5,339)
WL-164655

>  <BAR_CODE_NO> (5,339)
3918207

$$$$
CL-163420
csChFnd80/06171916332D

 30 32  0  0  0  0  0  0  0  0999 V2000
   -2.8323   -0.6049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5392   -0.2015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0979   -0.3601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8323   -1.4601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2220   -0.6049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5496    0.5813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4772   -0.6774    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0979    0.2985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5392   -1.8843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2220   -1.4601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8910    1.0192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2358    0.9571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7668   -0.3601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7668    0.4468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0496   -0.7498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0496    0.8709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6608   -0.3601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6608    0.4468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3918    0.7261    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0159    0.4226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8918    0.5675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0159   -0.1291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6021    0.1399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8918    1.3744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2849    0.5675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6125   -0.6394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6021    1.7985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2849    1.3744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9539   -1.0808    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2987   -1.0187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
 21 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
 24 27  2  0  0  0  0
 25 28  2  0  0  0  0
 26 29  1  0  0  0  0
 26 30  2  0  0  0  0
  9 10  2  0  0  0  0
 17 18  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (5,340)
5340

>  <Formula> (5,340)
C22H16N2O6

>  <MolWeight> (5,340)
404.37224

>  <COMPOUND_NAME> (5,340)
CL-163420

>  <BAR_CODE_NO> (5,340)
3899117

$$$$
CL-424032
csChFnd80/06171916332D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.7775    0.4874    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7775   -0.7195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2570    1.0633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8878    0.8219    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2570   -1.3402    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8878   -1.0885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2915    0.4874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2570    2.3046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5499   -0.0988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2915   -0.7195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4536    2.3046    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2570    3.5115    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.9326    2.3046    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7464   -0.0988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3260   -1.3402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3671    0.9357    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3671   -1.1333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4432   -0.7954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5294   -2.4850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2363   -1.7092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6949   -2.6919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (5,341)
5341

>  <Formula> (5,341)
C12H7F3N4O2

>  <MolWeight> (5,341)
296.2047896

>  <COMPOUND_NAME> (5,341)
CL-424032

>  <BAR_CODE_NO> (5,341)
3898598

$$$$
WAY-112552
csChFnd80/06171916332D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -0.0902    0.0514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2936    0.7480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1098    0.7480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0902   -1.3348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5005    0.0514    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2936    2.1376    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3098    0.0514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1098    2.1376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2936   -2.0279    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5005   -1.3348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5167    0.7480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7005   -2.0279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7167    0.0514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  7 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
  9 10  2  0  0  0  0
M  END
>  <Mol_ID> (5,342)
5342

>  <Formula> (5,342)
C7H9N3O3

>  <MolWeight> (5,342)
183.16466

>  <COMPOUND_NAME> (5,342)
WAY-112552

>  <BAR_CODE_NO> (5,342)
3898975

$$$$
WAY-217424
csChFnd80/06171916332D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.8688    0.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4826    1.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8515    0.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2826    0.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0895    0.8276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5101    1.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4515    0.1172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3101    1.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0619    0.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9170    1.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4515   -0.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0688   -0.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8170   -0.5828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3312   -0.3724    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7381   -0.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7174   -1.1034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1485   -0.4345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0899   -1.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5381   -0.6828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5105   -1.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0899   -1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (5,343)
5343

>  <Formula> (5,343)
C16H17N3OS

>  <MolWeight> (5,343)
299.39068

>  <COMPOUND_NAME> (5,343)
WAY-217424

>  <BAR_CODE_NO> (5,343)
3899284

$$$$
WAY-236145
csChFnd80/06171916332D

 27 28  0  0  0  0  0  0  0  0999 V2000
   10.5080   -1.2145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2935    0.1350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8650    0.1350    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1905    0.1190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9525   -1.2380    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6030    0.1190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6270    1.5160    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.3095   -2.5715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2145    1.5240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6510   -1.1190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5080    1.4920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9525    1.4680    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6745    1.4205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9760    2.8970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1665   -0.6270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1745    0.9445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4840   -3.8650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8570    2.8570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000    0.1825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8890   -6.4760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0715   -7.8175    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.2380   -5.2145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9605   -3.8175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4365   -6.5080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1665   -5.1430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6190    4.2300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2700    2.8490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  3  1  0  0  0  0
  8  1  2  0  0  0  0
  9  7  1  0  0  0  0
 10  6  1  0  0  0  0
 11  2  2  0  0  0  0
 12  4  2  0  0  0  0
 13  6  2  0  0  0  0
 14  9  2  0  0  0  0
 15 10  1  0  0  0  0
 16 13  1  0  0  0  0
 17  8  1  0  0  0  0
 18  7  1  0  0  0  0
 19  9  1  0  0  0  0
 20 25  2  0  0  0  0
 21 20  1  0  0  0  0
 22 17  1  0  0  0  0
 23 17  2  0  0  0  0
 24 22  2  0  0  0  0
 25 23  1  0  0  0  0
 26 18  1  0  0  0  0
 27 18  1  0  0  0  0
 24 20  1  0  0  0  0
 16 15  2  0  0  0  0
M  END
>  <Mol_ID> (5,344)
5344

>  <Formula> (5,344)
C19H19ClN2O5

>  <MolWeight> (5,344)
390.81756

>  <COMPOUND_NAME> (5,344)
WAY-236145

>  <BAR_CODE_NO> (5,344)
3898050

$$$$
WAY-239593
csChFnd80/06171916332D

 24 25  0  0  0  0  0  0  0  0999 V2000
    0.7583   -0.5415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1687    0.1654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1583   -1.2587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0658   -0.5346    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9963    0.1654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7583    0.8930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9825   -1.2587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8969   -0.5346    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0658    0.2930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0796   -1.3587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4031   -0.5449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1825    1.6033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3963   -1.9829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3037    0.1930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2342   -0.5587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2204   -1.9829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9825   -2.6967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1313    0.1930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5417    0.9033    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3658    0.9171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1175    1.6171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7796    1.6275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5348    2.3413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3589    2.3413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
  7 11  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (5,345)
5345

>  <Formula> (5,345)
C17H28N2O4S

>  <MolWeight> (5,345)
356.48022

>  <COMPOUND_NAME> (5,345)
WAY-239593

>  <BAR_CODE_NO> (5,345)
3898881

$$$$
WAY-296485
csChFnd80/06171916332D

 23 25  0  0  0  0  0  0  0  0999 V2000
    0.5069    1.2069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2310    1.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7276    0.5483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9379    1.7966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4517    0.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6621    1.8276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1379    0.1069    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4483    0.3379    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6690    1.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1724    0.3586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9483    1.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4034   -0.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6690    0.9690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9138   -0.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1138   -0.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9759    0.3172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1069    1.5379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1414   -1.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3310   -1.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414   -1.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7517   -2.1517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8828   -2.4621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2241   -2.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 19  2  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
  5  7  1  0  0  0  0
 19 20  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (5,346)
5346

>  <Formula> (5,346)
C15H13NO5S2

>  <MolWeight> (5,346)
351.39742

>  <COMPOUND_NAME> (5,346)
WAY-296485

>  <BAR_CODE_NO> (5,346)
3897283

$$$$
WAY-296631
csChFnd80/06171916332D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -0.1964    0.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3347    0.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4653   -0.1341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4757    0.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6140   -0.1237    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5933    0.8073    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0067   -0.1341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0136    0.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1554   -0.1030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3554   -0.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2860    0.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4243   -0.5651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6243   -1.0651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8136    0.3349    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.1554   -1.0444    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
  8 11  2  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <Mol_ID> (5,347)
5347

>  <Formula> (5,347)
C11H12BrNOS

>  <MolWeight> (5,347)
286.18808

>  <COMPOUND_NAME> (5,347)
WAY-296631

>  <BAR_CODE_NO> (5,347)
3897476

$$$$
WAY-296697
csChFnd80/06171916332D

 31 34  0  0  0  0  0  0  0  0999 V2000
   -0.8483   -0.3966    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.4655   -0.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8483    0.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2276   -0.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4655   -1.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0655   -0.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2414    1.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4897    1.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2276   -1.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3931   -0.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8483   -1.7966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0655   -1.7966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6897   -0.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0655    0.3207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4172    0.8414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2414    1.9103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4897    1.9103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3931   -1.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0103   -0.7414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3931    0.3207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6897   -1.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0586    1.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8483    2.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6586   -0.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7172    0.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3103   -0.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7207    0.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3586    1.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3793   -0.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0103    0.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0207    0.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  2  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 17  2  0  0  0  0
  9 18  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  2  0  0  0  0
 12 21  1  0  0  0  0
 15 22  1  0  0  0  0
 16 23  2  0  0  0  0
 19 24  1  0  0  0  0
 22 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  2  0  0  0  0
 27 29  2  0  0  0  0
 28 30  1  0  0  0  0
 29 31  1  0  0  0  0
  9 11  1  0  0  0  0
 13 21  1  0  0  0  0
 17 23  1  0  0  0  0
 30 31  2  0  0  0  0
M  END
>  <Mol_ID> (5,348)
5348

>  <Formula> (5,348)
C26H27NO4

>  <MolWeight> (5,348)
417.49688

>  <COMPOUND_NAME> (5,348)
WAY-296697

>  <BAR_CODE_NO> (5,348)
3897559

$$$$
WAY-296734
csChFnd80/06171916332D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.6845    1.4188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2365    0.0311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2028    1.8668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6036    2.4144    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3814    0.0311    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1885   -1.2632    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3353    0.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8419    1.5681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3024   -1.2010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8350    1.2321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9682   -0.7218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3353    2.1219    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7709   -0.7405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9675    0.1556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1007   -1.7983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9034   -1.7859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1131    0.7529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6003   -1.3565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3782   -1.3316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5879    1.2134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7204   -2.4144    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.7204    0.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  2  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  2  0  0  0  0
 14 18  1  0  0  0  0
 16 19  2  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
  5  8  1  0  0  0  0
 15 18  2  0  0  0  0
 20 22  2  0  0  0  0
M  END
>  <Mol_ID> (5,349)
5349

>  <Formula> (5,349)
C17H12ClNOS2

>  <MolWeight> (5,349)
345.86628

>  <COMPOUND_NAME> (5,349)
WAY-296734

>  <BAR_CODE_NO> (5,349)
3897608

$$$$
WAY-296778
csChFnd80/06171916332D

 28 30  0  0  0  0  0  0  0  0999 V2000
    1.3793   -2.0241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2793   -1.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1621   -1.2138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5931   -3.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2103   -2.8897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1621   -0.8172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8448   -0.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6345   -3.6276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2690   -0.6655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6276    0.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7000    0.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7034    0.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3310    1.7483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8241    0.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4931    1.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1138    2.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5172   -0.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2207    1.5759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1931    2.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5759    0.8862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6241   -0.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3310    1.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9862    3.0345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8552   -0.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0310    0.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3310   -1.0172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1276    1.0138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4207   -0.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  9 11  2  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
 14 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  2  0  0  0  0
 15 20  1  0  0  0  0
 17 21  2  0  0  0  0
 18 22  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
 21 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
  5  8  1  0  0  0  0
 16 19  1  0  0  0  0
 22 25  2  0  0  0  0
M  END
>  <Mol_ID> (5,350)
5350

>  <Formula> (5,350)
C18H18N6O4

>  <MolWeight> (5,350)
382.37332

>  <COMPOUND_NAME> (5,350)
WAY-296778

>  <BAR_CODE_NO> (5,350)
3897666

$$$$
WAY-296953
csChFnd80/06171916332D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.9483   -0.5828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9103   -1.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4724   -0.2586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3931   -0.2586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4724   -1.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4103   -1.4586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6483    0.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2103    0.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6931   -2.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2414   -2.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3483    0.7931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5724    0.7690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2276    0.7931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5276    0.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5276    1.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0897    0.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0897    1.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3897    0.7931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9586    0.7931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2414    0.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2517    1.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  2  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (5,351)
5351

>  <Formula> (5,351)
C16H14N2O3

>  <MolWeight> (5,351)
282.29396

>  <COMPOUND_NAME> (5,351)
WAY-296953

>  <BAR_CODE_NO> (5,351)
3897883

$$$$
WAY-297176
csChFnd80/06171916332D

 28 31  0  0  0  0  0  0  0  0999 V2000
    0.4719   -0.2717    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0136    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4124   -1.4403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0258   -0.1887    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1492    2.0745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4959    1.3572    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8946   -1.2100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8706   -2.8390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4097    1.2613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0662    3.5722    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4364    0.1887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6207   -2.6777    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3113   -3.2568    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.5800   -4.3106    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8084    1.8031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9186    0.4189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9770    0.8626    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0386    3.2853    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6036    1.7534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9761   -0.6449    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6367   -0.5983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3314    1.5074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0844    1.5143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3146    0.0321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5666   -1.7752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6799    0.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0666   -1.7819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0071   -0.6134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 11 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 17 22  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
 22 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
  5  9  1  0  0  0  0
  7 11  1  0  0  0  0
 23 24  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (5,352)
5352

>  <Formula> (5,352)
C18H16ClF3N4OS

>  <MolWeight> (5,352)
428.8590496

>  <COMPOUND_NAME> (5,352)
WAY-297176

>  <BAR_CODE_NO> (5,352)
3898185

$$$$
WAY-297344
csChFnd80/06171916332D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -1.8552    0.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1448   -0.4069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5690   -0.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8552    0.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4310    0.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1448   -1.2310    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2931    0.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5690    1.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2793   -0.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8552   -1.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3207   -1.2310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5552   -1.8138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2931    0.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0034    0.0069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2793   -1.2310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0069    1.2483    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.7138   -0.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9931    0.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4310    0.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7172    1.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4379    0.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1448   -0.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1552    1.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8690   -0.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8690    0.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  2  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  2  0  0  0  0
  8 13  2  0  0  0  0
 20 21  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (5,353)
5353

>  <Formula> (5,353)
C18H19ClN2O3S

>  <MolWeight> (5,353)
378.87306

>  <COMPOUND_NAME> (5,353)
WAY-297344

>  <BAR_CODE_NO> (5,353)
3898442

$$$$
WAY-297407
csChFnd80/06171916332D

 18 19  0  0  0  0  0  0  0  0999 V2000
    1.8563   -1.8887    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.4177    0.7063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7927    1.3543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5337    1.3543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4633   -1.2437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0347    0.7873    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4783   -2.5427    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.3323    0.7063    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6093   -1.8887    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7187    1.1023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9087    1.9813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7927    0.0553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6377    1.8343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7223   -1.2437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8413   -0.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7223    0.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3473   -0.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4633    0.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  8  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  1  1  0  0  0  0
  8 16  1  0  0  0  0
  9  1  2  0  0  0  0
 10  6  1  0  0  0  0
  4 11  2  0  0  0  0
 12  2  2  0  0  0  0
 13 11  1  0  0  0  0
 14  5  1  0  0  0  0
  5 15  2  0  0  0  0
 18 16  2  0  0  0  0
 17 14  2  0  0  0  0
 18 15  1  0  0  0  0
 16 17  1  0  0  0  0
 13 10  2  0  0  0  0
M  END
>  <Mol_ID> (5,354)
5354

>  <Formula> (5,354)
C12H10N2O3S

>  <MolWeight> (5,354)
262.2844

>  <COMPOUND_NAME> (5,354)
WAY-297407

>  <BAR_CODE_NO> (5,354)
3898528

$$$$
WAY-297579
csChFnd80/06171916332D

 31 33  0  0  0  0  0  0  0  0999 V2000
   -0.4310    0.0690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0793    0.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4379   -0.6862    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2241    0.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7345    0.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0793    1.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0931   -1.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0724   -1.3310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3138   -0.6862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8690    0.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3828    0.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7345    1.5759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0966   -1.8069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7414   -0.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5241    0.4276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8621   -0.6931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3828    1.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0379    0.0690    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.7552   -2.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3966   -1.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1655    0.0448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0345   -0.6862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6862    0.4448    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.4034   -1.7931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8207    0.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8276    1.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4621    0.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4828    1.5207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1138    0.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1276    1.1310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7828    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  3  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  2  0  0  0  0
 10 15  1  0  0  0  0
 10 16  2  0  0  0  0
 11 17  1  0  0  0  0
 11 18  1  0  0  0  0
 13 19  2  0  0  0  0
 14 20  1  0  0  0  0
 15 21  1  0  0  0  0
 18 22  2  0  0  0  0
 18 23  1  0  0  0  0
 19 24  1  0  0  0  0
 21 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 12 17  2  0  0  0  0
 20 24  2  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (5,355)
5355

>  <Formula> (5,355)
C20H23N5O5S

>  <MolWeight> (5,355)
445.49212

>  <COMPOUND_NAME> (5,355)
WAY-297579

>  <BAR_CODE_NO> (5,355)
3898748

$$$$
WAY-297587
csChFnd80/06171916332D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -2.5753    0.1943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5753   -1.1747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2891    0.6012    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7926    0.8564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2891   -1.5816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7926   -1.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5098   -0.4643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9753    0.1943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9753   -1.1747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8764   -0.4643    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5523   -1.6298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9074   -1.6298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5833   -0.4643    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6143   -2.8505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9074    0.7012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5178    0.7012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5833    1.9219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8419    1.9219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8729    3.0874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5178    3.0874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  6  9  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
  5  7  1  0  0  0  0
  8  9  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (5,356)
5356

>  <Formula> (5,356)
C15H12N2O2S

>  <MolWeight> (5,356)
284.33298

>  <COMPOUND_NAME> (5,356)
WAY-297587

>  <BAR_CODE_NO> (5,356)
3898759

$$$$
WAY-297655
csChFnd80/06171916332D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -1.7517    1.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9517    1.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4345    1.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7345    0.3414    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4138    0.8207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7138    2.3414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2517    1.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9138    0.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4655    0.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9138    2.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3966    0.5828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6138   -0.7345    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9034    0.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7241    1.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2138    0.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862    0.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8724    0.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2276   -0.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0862   -0.6172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862   -1.3793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5034   -1.3586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3655   -1.3586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0862   -2.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8034   -2.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5276   -2.8793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3862   -2.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  2  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  2  0  0  0  0
  5  8  1  0  0  0  0
 15 17  2  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (5,357)
5357

>  <Formula> (5,357)
C20H18N2O2S2

>  <MolWeight> (5,357)
382.49912

>  <COMPOUND_NAME> (5,357)
WAY-297655

>  <BAR_CODE_NO> (5,357)
3898850

$$$$
CL-289789
csChFnd80/06171916332D

 17 18  0  0  0  0  0  0  0  0999 V2000
    1.7439   -0.3885    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3439   -0.3885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8561   -0.3885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0439   -1.1385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4773    1.0907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4439   -1.1385    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6981   -1.0093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9439    1.4032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6981    0.1074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8561    0.8115    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1561   -1.1385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4561   -0.3885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4519    1.1115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7561   -1.1385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0561   -0.3843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7519    1.8615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0519    1.1157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  1  2  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  2  0  0  0  0
  8  5  1  0  0  0  0
  9  7  1  0  0  0  0
 10  3  2  0  0  0  0
 11  3  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 12  2  0  0  0  0
 15 14  1  0  0  0  0
 16 13  2  0  0  0  0
 17 16  1  0  0  0  0
  8  9  2  0  0  0  0
 17 15  2  0  0  0  0
M  END
>  <Mol_ID> (5,358)
5358

>  <Formula> (5,358)
C13H12N2O2

>  <MolWeight> (5,358)
228.24658

>  <COMPOUND_NAME> (5,358)
CL-289789

>  <BAR_CODE_NO> (5,358)
3900008

$$$$
CL-380727
csChFnd80/06171916332D

 24 27  0  0  0  0  0  0  0  0999 V2000
    0.0808   -0.4149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8779    0.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0359    0.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0808   -1.5184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8779    1.2437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8330   -0.4149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9946   -0.4149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0359    1.2437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0359   -2.0701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8779   -2.0701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8330    1.7954    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0808    1.7954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8330   -1.5184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9946   -1.5184    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9497    0.1368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0359   -3.1770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8330    2.8989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7917    1.2437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9497   -2.0701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7917    3.4506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7468    1.7954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9049   -1.5184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7468    2.8989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8635   -2.0701    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  2  0  0  0  0
  9 16  2  0  0  0  0
 11 17  1  0  0  0  0
 11 18  1  0  0  0  0
 14 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 22 24  1  0  0  0  0
  8 12  1  0  0  0  0
  9 14  1  0  0  0  0
 10 13  2  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (5,359)
5359

>  <Formula> (5,359)
C19H20N2O3

>  <MolWeight> (5,359)
324.3737

>  <COMPOUND_NAME> (5,359)
CL-380727

>  <BAR_CODE_NO> (5,359)
3899726

$$$$
CL-394079
csChFnd80/06171916332D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -1.0762    0.9406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1066    0.6923    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6762   -0.0973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6762    1.9785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2203   -0.5008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9997    1.4785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8693   -0.9904    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8831   -0.0973    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8831    1.9785    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0590    3.0268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2238   -1.1525    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1272    1.1027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4831    0.9406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5003   -1.1422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2410   -2.3525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1548   -0.3904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0134    1.8889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6797    0.9406    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1824   -3.0870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3169   -0.6422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3445   -2.8077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8548   -1.7077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 13 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
  5  7  2  0  0  0  0
  9 13  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (5,360)
5360

>  <Formula> (5,360)
C14H21N5O3

>  <MolWeight> (5,360)
307.34824

>  <COMPOUND_NAME> (5,360)
CL-394079

>  <BAR_CODE_NO> (5,360)
3900720

$$$$
CL-412730
csChFnd80/06171916332D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -1.4544    0.2853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1751   -0.5561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3371    0.2853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8544    0.9232    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8992   -1.0768    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3164   -0.7561    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6164   -0.5319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9164    0.9439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0008    0.7439    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8992   -1.9457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2836   -0.0940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4751   -0.7147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7751    0.7681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1475   -2.3768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1629   -0.2561    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0613   -0.0561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4836   -1.0768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3629   -1.2147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9249   -0.5147    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6836   -2.0561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6146    0.3060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1525    1.0163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7525    0.4163    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8146    1.8232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4008    1.2543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9456    1.9439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3456    2.5163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  2  0  0  0  0
 24 27  1  0  0  0  0
  5  7  1  0  0  0  0
  9 11  2  0  0  0  0
 13 16  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (5,361)
5361

>  <Formula> (5,361)
C19H18N6OS

>  <MolWeight> (5,361)
378.45082

>  <COMPOUND_NAME> (5,361)
CL-412730

>  <BAR_CODE_NO> (5,361)
3900091

$$$$
CL-414194
csChFnd80/06171916332D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -1.5218    3.7263    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9999    4.1898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6137    4.9664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6137    2.4738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9999    5.7367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3213    3.4195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5218    6.2064    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8643    4.4967    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8643    2.9372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0835    1.0083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3213    6.5258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6615    4.1898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1043    2.0291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6615    5.7367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9477    0.5135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1940   -0.3946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5386   -0.1190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0249   -1.9415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3758   -1.6596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6158   -2.5427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2775   -2.8308    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4530   -4.0896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6615   -2.2107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0501   -4.7096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2087   -3.8078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1127   -6.2440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  9 13  2  0  0  0  0
 11 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
  5  7  1  0  0  0  0
  8  9  1  0  0  0  0
 12 14  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (5,362)
5362

>  <Formula> (5,362)
C19H14N2O4S

>  <MolWeight> (5,362)
366.39046

>  <COMPOUND_NAME> (5,362)
CL-414194

>  <BAR_CODE_NO> (5,362)
3900458

$$$$
CL-415786
csChFnd80/06171916332D

 12 13  0  0  0  0  0  0  0  0999 V2000
    0.1307   -0.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1307    0.8759    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.4618   -1.2448    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0486   -1.1655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0486    1.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7204    0.8759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7204   -0.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2313   -0.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2313    0.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0486    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6618   -1.0655    0.0000 S   0  5  0  0  0  0  0  0  0  0  0  0
   -3.2175   -1.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <Mol_ID> (5,363)
5363

>  <Formula> (5,363)
C7H7N3S2

>  <MolWeight> (5,363)
197.28058

>  <COMPOUND_NAME> (5,363)
CL-415786

>  <BAR_CODE_NO> (5,363)
2540016

$$$$
CL-418112
csChFnd80/06171916332D

 22 25  0  0  0  0  0  0  0  0999 V2000
   -0.2346   -0.1826    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3449   -0.8067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6861   -1.0584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2346    1.0588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4070   -0.1826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0622   -2.0550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8930   -0.8826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1654   -2.1584    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3449    1.6657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5654    1.9416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9930    1.3933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4070    1.0588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4967   -0.8067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3240    0.2795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7033   -1.8550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4967    1.6657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5829   -0.1826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5654    0.4933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9413   -1.6205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5829    1.0588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3551   -0.4688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0033    1.6450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  5 12  2  0  0  0  0
  5 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  2  0  0  0  0
 12 16  1  0  0  0  0
 13 17  2  0  0  0  0
 14 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  2  0  0  0  0
 18 21  1  0  0  0  0
 18 22  1  0  0  0  0
  6  8  1  0  0  0  0
  9 12  1  0  0  0  0
 17 20  1  0  0  0  0
 19 21  2  0  0  0  0
M  END
>  <Mol_ID> (5,364)
5364

>  <Formula> (5,364)
C18H17N3O

>  <MolWeight> (5,364)
291.34708

>  <COMPOUND_NAME> (5,364)
CL-418112

>  <BAR_CODE_NO> (5,364)
3900909

$$$$
CL-420844
csChFnd80/06171916332D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -0.3302    0.4981    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9346    0.4692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5676   -0.8109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5850    1.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6992    1.8419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6992   -0.8573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0389   -0.3649    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.1390   -2.2879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0389    1.2395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1390    3.1510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2399    1.8419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2399   -0.8573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3479   -1.0774    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0219    0.4692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6744   -0.3707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3479   -2.5544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5511    0.4692    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9892   -1.1411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7091   -3.2263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2983   -0.8051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9892   -2.5544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5858   -2.1431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2983   -3.3306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0914   -2.1431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
  7  9  1  0  0  0  0
 12 14  2  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <Mol_ID> (5,365)
5365

>  <Formula> (5,365)
C18H25N3O3

>  <MolWeight> (5,365)
331.4094

>  <COMPOUND_NAME> (5,365)
CL-420844

>  <BAR_CODE_NO> (5,365)
3900968

$$$$
CL-424087
csChFnd80/06171916332D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -1.8228    0.6684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3772    0.6734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3570   -0.7949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000    1.8076    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8532   -0.7949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3949    1.8177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6025   -1.7063    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1519   -1.1190    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6987    1.4886    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3519   -1.1139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9038    1.4937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1797    0.0203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3797    0.0253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6886   -0.3038    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7316    0.8456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2354    0.5215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2683    1.6709    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7114   -0.9468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  8 12  2  0  0  0  0
 10 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
  5  7  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <Mol_ID> (5,366)
5366

>  <Formula> (5,366)
C11H9N5OS

>  <MolWeight> (5,366)
259.28706

>  <COMPOUND_NAME> (5,366)
CL-424087

>  <BAR_CODE_NO> (5,366)
3900579

$$$$
CL-69975
csChFnd80/06171916332D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -1.8471   -0.5278    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7574    0.0963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9850   -1.7796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9954   -0.0210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3288   -0.5278    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7574    1.3549    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2126   -2.0382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8436   -0.9485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4219    0.1032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4184    1.3584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5115   -0.5244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5115    1.9894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6046    0.1032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6012    1.3618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  2  0  0  0  0
  7  8  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (5,367)
5367

>  <Formula> (5,367)
C11H14N2S

>  <MolWeight> (5,367)
206.30726

>  <COMPOUND_NAME> (5,367)
CL-69975

>  <BAR_CODE_NO> (5,367)
3899545

$$$$
SD-16111
csChFnd80/06171916332D

 16 18  0  0  0  0  0  0  0  0999 V2000
    1.4461   -0.0201    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1461   -0.0511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2358   -1.0580    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1910    1.0454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6470    0.9868    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5987   -1.1235    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4703   -0.6304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4392    0.6730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7565    2.2799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8815    0.5523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8504   -0.7442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5461   -1.3753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0263    1.1834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9711   -1.4270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1435    0.5075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1125   -0.7994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
  7  8  2  0  0  0  0
 10 11  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (5,368)
5368

>  <Formula> (5,368)
C11H9N3OS

>  <MolWeight> (5,368)
231.27366

>  <COMPOUND_NAME> (5,368)
SD-16111

>  <BAR_CODE_NO> (5,368)
3899554

$$$$
WAY-112801
csChFnd80/06171916332D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -1.5149   -0.5174    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5149   -1.6761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6114    0.0757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4287    0.0757    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5011   -2.2347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5149   -2.2588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6114    1.0033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4851   -0.3209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4287    1.0033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5252   -0.3209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4908   -3.3830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4908   -3.4312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3989    1.5205    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4528    1.5205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5011   -3.9864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3610    0.8895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3506    1.4722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3748   -0.2933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3506    0.9033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3265    2.6067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3368    1.5205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2886    3.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3127    2.6308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 17 20  2  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
  7  9  2  0  0  0  0
 12 15  2  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (5,369)
5369

>  <Formula> (5,369)
C18H17N3O2

>  <MolWeight> (5,369)
307.34648

>  <COMPOUND_NAME> (5,369)
WAY-112801

>  <BAR_CODE_NO> (5,369)
3900791

$$$$
WAY-240925
csChFnd80/06171916332D

 13 14  0  0  0  0  0  0  0  0999 V2000
    0.7517    0.2348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6517    0.3727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3414   -1.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5931    1.3831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6069   -0.6652    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3828    1.6106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7724   -1.1997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000   -2.2376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0276    1.2451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9552   -0.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8138    1.3003    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6172   -0.0480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1931   -0.8342    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
 10 13  1  0  0  0  0
  9 12  2  0  0  0  0
 10 11  2  0  0  0  0
M  END
>  <Mol_ID> (5,370)
5370

>  <Formula> (5,370)
C9H9N3S

>  <MolWeight> (5,370)
191.25286

>  <COMPOUND_NAME> (5,370)
WAY-240925

>  <BAR_CODE_NO> (5,370)
3901322

$$$$
WAY-243545
csChFnd80/06171916332D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -2.3917    0.2018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4193   -0.3602    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3572   -0.3602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3917    1.3122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4503    0.1984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3158    0.1984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3572    1.8812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5152   -0.3602    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4503    1.3122    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3158    1.3122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4807    0.1915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4462   -0.3637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4048    0.1915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4497   -1.4775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3704   -0.3637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4083   -2.0361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3738   -1.4775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
  7 10  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (5,371)
5371

>  <Formula> (5,371)
C14H20N2S

>  <MolWeight> (5,371)
248.387

>  <COMPOUND_NAME> (5,371)
WAY-243545

>  <BAR_CODE_NO> (5,371)
3901148

$$$$
WAY-246080
csChFnd80/06171916332D

 32 35  0  0  0  0  0  0  0  0999 V2000
    9.8625  -16.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8583  -16.2208    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.3458  -15.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3417  -17.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8208  -16.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8208  -16.8167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3792  -15.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3792  -17.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3458  -15.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3750  -15.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8917  -15.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4167  -15.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8958  -16.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9375  -15.0292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3833  -17.7167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8708  -15.0250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4167  -15.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3000  -15.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9000  -16.8125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3458  -17.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4542  -15.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8917  -14.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9750  -15.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8292  -15.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3042  -15.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4208  -17.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4125  -14.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4917  -15.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9708  -14.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4875  -14.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0083  -15.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0083  -14.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  2  0  0  0  0
  5  3  2  0  0  0  0
  6  4  1  0  0  0  0
  7  2  1  0  0  0  0
  8  1  1  0  0  0  0
  9  3  1  0  0  0  0
 10  7  1  0  0  0  0
 11 10  2  0  0  0  0
 12 17  2  0  0  0  0
 13  7  2  0  0  0  0
 14 12  1  0  0  0  0
 15  8  2  0  0  0  0
 16  9  2  0  0  0  0
 17 13  1  0  0  0  0
 18  5  1  0  0  0  0
 19  8  1  0  0  0  0
 20  4  1  0  0  0  0
 21 14  1  0  0  0  0
 22 11  1  0  0  0  0
 23 21  1  0  0  0  0
 24  9  1  0  0  0  0
 25 18  1  0  0  0  0
 26 19  1  0  0  0  0
 27 22  1  0  0  0  0
 28 23  2  0  0  0  0
 29 23  1  0  0  0  0
 30 29  2  0  0  0  0
 31 28  1  0  0  0  0
 32 30  1  0  0  0  0
  6  5  1  0  0  0  0
 11 12  1  0  0  0  0
 25 24  1  0  0  0  0
 32 31  2  0  0  0  0
M  END
>  <Mol_ID> (5,372)
5372

>  <Formula> (5,372)
C26H27NO5

>  <MolWeight> (5,372)
433.49628

>  <COMPOUND_NAME> (5,372)
WAY-246080

>  <BAR_CODE_NO> (5,372)
3899535

$$$$
WAY-247615
csChFnd80/06171916332D

 29 32  0  0  0  0  0  0  0  0999 V2000
    0.9833    0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0125    0.8708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9833    0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4708    0.0208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000    0.0250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0125    0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042    1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9583    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9625    0.8667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333    0.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4792    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083    0.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042    1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5500    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000   -0.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4792    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5417    1.7833    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.5167   -0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0375    0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0708    0.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5125   -0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0375    0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5583   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0792    0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5542   -0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0292   -0.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5542   -0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  2  0  0  0  0
  9  3  1  0  0  0  0
 10  2  1  0  0  0  0
 11 10  1  0  0  0  0
 12  8  1  0  0  0  0
 13  6  2  0  0  0  0
 14  7  2  0  0  0  0
 15 11  2  0  0  0  0
 16  5  1  0  0  0  0
 17 12  1  0  0  0  0
 18  9  1  0  0  0  0
 19 15  1  0  0  0  0
 20 17  1  0  0  0  0
 21 11  1  0  0  0  0
 22 15  1  0  0  0  0
 23 20  2  0  0  0  0
 24 20  1  0  0  0  0
 25 21  2  0  0  0  0
 26 25  1  0  0  0  0
 27 24  2  0  0  0  0
 28 23  1  0  0  0  0
 29 27  1  0  0  0  0
  9  8  1  0  0  0  0
  6  2  1  0  0  0  0
 29 28  2  0  0  0  0
 26 22  2  0  0  0  0
M  END
>  <Mol_ID> (5,373)
5373

>  <Formula> (5,373)
C21H20ClN5O2

>  <MolWeight> (5,373)
409.8688

>  <COMPOUND_NAME> (5,373)
WAY-247615

>  <BAR_CODE_NO> (5,373)
3901172

$$$$
WAY-250324
csChFnd80/06171916332D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -1.8756   -0.1558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3238   -1.1075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9549   -0.1558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3445    0.7546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2445   -1.1247    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8549   -2.0351    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4859    0.7753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8549    1.6753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3072   -2.0558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2865   -0.1868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9549    1.7028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5549    0.7753    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.3762   -2.0661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3348   -0.1868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0549    1.6925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0652   -0.1351    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.9072   -1.1351    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0072   -1.1765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5555   -0.2351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9865    0.6753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6141   -0.2351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5141    1.6235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1141    0.6925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5658    1.6235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 12 15  2  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
  8 11  2  0  0  0  0
 14 17  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (5,374)
5374

>  <Formula> (5,374)
C18H19N3O3

>  <MolWeight> (5,374)
325.36176

>  <COMPOUND_NAME> (5,374)
WAY-250324

>  <BAR_CODE_NO> (5,374)
3900120

$$$$
WAY-298000
csChFnd80/06171916332D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -0.6899    0.6123    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2143   -0.2044    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0690   -1.3835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1024   -1.9460    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7851   -2.1794    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8649   -3.0752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5232    1.4456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4857   -0.2461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1643    1.4956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6732   -3.9794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2560   -3.2211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1107    2.6748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3059    1.2081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2018    2.0665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7268    3.5289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8643    3.2039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  7  1  2  0  0  0  0
  8  1  2  0  0  0  0
  9  1  1  0  0  0  0
 10  6  2  0  0  0  0
 11  5  1  0  0  0  0
 12  9  2  0  0  0  0
 13  9  1  0  0  0  0
 14 13  2  0  0  0  0
 15 12  1  0  0  0  0
 16 14  1  0  0  0  0
 15 16  2  0  0  0  0
  6 11  1  0  0  0  0
M  END
>  <Mol_ID> (5,375)
5375

>  <Formula> (5,375)
C9H8N2O3S2

>  <MolWeight> (5,375)
256.30142

>  <COMPOUND_NAME> (5,375)
WAY-298000

>  <BAR_CODE_NO> (5,375)
3899307

$$$$
WAY-298002
csChFnd80/06171916332D

 31 34  0  0  0  0  0  0  0  0999 V2000
    0.2828   -0.0379    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.9966   -0.4448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2828    0.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4517   -0.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9966   -1.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7069   -0.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7069    0.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4345    1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1655    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4483   -1.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2793   -1.6828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7069   -1.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207   -0.4517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4172    1.2034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4345    2.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1483    0.7862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8793   -0.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1586   -1.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2793   -2.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7103   -2.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2828    2.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1483    2.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8793   -1.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9931   -2.9207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2793    3.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1517    3.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5862   -1.6483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9862   -3.7414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4345    3.6759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5862   -2.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4379    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  6 13  2  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  2  0  0  0  0
  9 17  2  0  0  0  0
 10 18  1  0  0  0  0
 11 19  1  0  0  0  0
 12 20  2  0  0  0  0
 15 21  2  0  0  0  0
 15 22  1  0  0  0  0
 17 23  1  0  0  0  0
 19 24  2  0  0  0  0
 21 25  1  0  0  0  0
 22 26  2  0  0  0  0
 23 27  1  0  0  0  0
 24 28  1  0  0  0  0
 25 29  2  0  0  0  0
 27 30  1  0  0  0  0
 29 31  1  0  0  0  0
  6  7  1  0  0  0  0
 18 23  2  0  0  0  0
 20 24  1  0  0  0  0
 26 29  1  0  0  0  0
M  END
>  <Mol_ID> (5,376)
5376

>  <Formula> (5,376)
C25H21NO5

>  <MolWeight> (5,376)
415.43794

>  <COMPOUND_NAME> (5,376)
WAY-298002

>  <BAR_CODE_NO> (5,376)
3899309

$$$$
WAY-298041
csChFnd80/06171916332D

 22 24  0  0  0  0  0  0  0  0999 V2000
    2.0586   -0.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9690   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9345    0.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4345   -1.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4172    0.2103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2862   -1.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7862    0.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0966    0.9207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7690   -2.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6966   -2.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0103    1.7724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3103    0.4207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5138    0.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2897    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5138    1.8379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1310    0.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9207    0.3586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9138   -0.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7207    0.8103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7138   -1.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5310    0.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5207   -0.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  6 10  2  0  0  0  0
  7 11  2  0  0  0  0
  8 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
  5  7  1  0  0  0  0
  9 10  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (5,377)
5377

>  <Formula> (5,377)
C17H15N3O2

>  <MolWeight> (5,377)
293.3199

>  <COMPOUND_NAME> (5,377)
WAY-298041

>  <BAR_CODE_NO> (5,377)
3899363

$$$$
WAY-298044
csChFnd80/06171916332D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -2.7726    2.3209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2623    2.3105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7726    0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0416    3.0554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2623    0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1274    3.1278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5243    0.1209    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0416    0.1209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3243    2.3209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0067    0.1347    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5032    3.9519    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3243    0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0067   -1.3274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2412   -2.0446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2416   -2.0343    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2343   -3.4895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5032   -1.3274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4757   -4.2136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7446   -2.0515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7239   -3.5101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  3  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
  5  7  1  0  0  0  0
  9 12  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (5,378)
5378

>  <Formula> (5,378)
C16H20N2OS

>  <MolWeight> (5,378)
288.4078

>  <COMPOUND_NAME> (5,378)
WAY-298044

>  <BAR_CODE_NO> (5,378)
3899367

$$$$
WAY-298087
csChFnd80/06171916332D

 13 14  0  0  0  0  0  0  0  0999 V2000
    0.3897    0.0156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8552    0.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6104   -1.2947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4138    0.8605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9586   -0.2844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2931    1.7501    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8690   -1.7602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6690    0.3950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0310    0.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6345    1.7501    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9069   -0.9188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2586   -0.0706    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.1724   -1.3844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  2  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
M  END
>  <Mol_ID> (5,379)
5379

>  <Formula> (5,379)
C9H8N2OS

>  <MolWeight> (5,379)
192.23762

>  <COMPOUND_NAME> (5,379)
WAY-298087

>  <BAR_CODE_NO> (5,379)
3899423

$$$$
WAY-298089
csChFnd80/06171916332D

 23 25  0  0  0  0  0  0  0  0999 V2000
    1.2406    0.7677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4031    0.2552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2761   -0.7031    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0781    0.2844    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1219   -1.1823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2406    1.7302    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4386    0.7344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4031   -0.7031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2761    0.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4386   -1.1823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9594   -0.7031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9239    0.7677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9594    0.2844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1219   -2.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7969   -1.1823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7969    0.7677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7614    0.2844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9239    1.7302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9594   -2.6198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7969   -2.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6031    0.7677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7614    2.2052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6031    1.7302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3 10  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  2  0  0  0  0
  7  2  1  0  0  0  0
  8  2  1  0  0  0  0
  9  7  1  0  0  0  0
 10  8  1  0  0  0  0
 11  5  1  0  0  0  0
 12  4  1  0  0  0  0
 13 11  1  0  0  0  0
 14  5  2  0  0  0  0
 15 11  2  0  0  0  0
 16 13  1  0  0  0  0
 17 12  1  0  0  0  0
 18 12  1  0  0  0  0
 19 14  1  0  0  0  0
 20 19  2  0  0  0  0
 21 17  1  0  0  0  0
 22 18  1  0  0  0  0
 23 22  1  0  0  0  0
  3  9  1  0  0  0  0
 23 21  1  0  0  0  0
 20 15  1  0  0  0  0
M  END
>  <Mol_ID> (5,380)
5380

>  <Formula> (5,380)
C18H27N3OS

>  <MolWeight> (5,380)
333.49148

>  <COMPOUND_NAME> (5,380)
WAY-298089

>  <BAR_CODE_NO> (5,380)
3899425

$$$$
WAY-119918
csChFnd80/06171916332D

 17 18  0  0  0  0  0  0  0  0999 V2000
    4.2085   -8.1365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1850   -5.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8605   -7.3650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1850   -9.7260    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5490   -7.3650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8370   -5.8060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1850  -11.2225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2085  -14.2230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5180  -11.9785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9305  -11.9785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8990  -13.4670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5180  -13.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1850   -3.5850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5490   -5.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9045  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5725   -3.1795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4295   -4.3330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  6  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  2  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8 11  2  0  0  0  0
  9  7  1  0  0  0  0
 10  7  2  0  0  0  0
 11 10  1  0  0  0  0
 12  9  2  0  0  0  0
 13  2  1  0  0  0  0
 14  2  1  0  0  0  0
 15  8  1  0  0  0  0
 16 13  1  0  0  0  0
 17 14  1  0  0  0  0
 12  8  1  0  0  0  0
 17 16  1  0  0  0  0
M  END
>  <Mol_ID> (5,381)
5381

>  <Formula> (5,381)
C14H20N2O

>  <MolWeight> (5,381)
232.3214

>  <COMPOUND_NAME> (5,381)
WAY-119918

>  <BAR_CODE_NO> (5,381)
3900809

$$$$
WAY-215250-A
csChFnd80/06171916332D

 29 32  0  0  0  0  0  0  0  0999 V2000
    1.2690    0.2170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4414    0.0446    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5448    1.0619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8552   -0.4071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1448    0.7170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1448   -0.7554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0034    1.6964    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4034    1.2446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6931   -0.2450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1448    1.5239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9793    0.5446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7172   -0.9381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7138   -1.3830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9828    0.5722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2828   -0.9071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4310    2.1619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5552    1.1826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2793   -0.2692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6310   -1.4933    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.8655   -1.5761    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.9448   -0.3071    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2690    1.9860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1448   -0.4312    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4103   -1.2761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6966    0.1929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2448   -1.4519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5448    0.0170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8241   -0.7692    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6793   -0.9519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  2  0  0  0  0
  8 14  2  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 11 17  2  0  0  0  0
 12 18  1  0  0  0  0
 15 19  1  0  0  0  0
 15 20  1  0  0  0  0
 15 21  1  0  0  0  0
 16 22  2  0  0  0  0
 18 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
  7 10  1  0  0  0  0
  9 14  1  0  0  0  0
 17 22  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (5,382)
5382

>  <Formula> (5,382)
C21H22F3N3OS

>  <MolWeight> (5,382)
421.4790896

>  <COMPOUND_NAME> (5,382)
WAY-215250-A

>  <BAR_CODE_NO> (5,382)
3899354

$$$$
WAY-217567
csChFnd80/06171916332D

 24 26  0  0  0  0  0  0  0  0999 V2000
    1.1272    0.3580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0927    0.3580    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6444   -0.4730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6272    1.2028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0548    0.3580    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0927   -0.6109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0927    1.3063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3107   -0.4730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3107    1.2028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5444   -0.4937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5272    1.1787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7935    0.3580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5065   -0.4937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5065    1.1787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7556    0.3580    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9893    0.3580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2314   -0.4937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1935   -0.4972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7452   -1.2972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7556    0.2891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8073   -1.2592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6728    0.0201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7176   -0.9420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5107   -1.4937    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
  9 12  2  0  0  0  0
 14 16  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (5,383)
5383

>  <Formula> (5,383)
C16H17BrN2O4S

>  <MolWeight> (5,383)
413.28618

>  <COMPOUND_NAME> (5,383)
WAY-217567

>  <BAR_CODE_NO> (5,383)
3900811

$$$$
WAY-223751
csChFnd80/06171916332D

 20 22  0  0  0  0  0  0  0  0999 V2000
    2.9374    0.4640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9374   -0.6395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9822    1.0192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9857    0.8054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9822   -1.1912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9857   -0.9808    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0201    0.4640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6339   -0.0877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0201   -0.6395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0684    1.0192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8902    0.4674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8385    1.0261    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3971    0.0709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2937    1.9847    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7937    1.5847    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5040    0.0778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8592   -0.8843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0557   -0.8808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4109   -1.8395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5109   -1.8395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 12 15  2  0  0  0  0
 13 16  1  0  0  0  0
 13 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  2  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (5,384)
5384

>  <Formula> (5,384)
C14H13NO4S

>  <MolWeight> (5,384)
291.32232

>  <COMPOUND_NAME> (5,384)
WAY-223751

>  <BAR_CODE_NO> (5,384)
3900389

$$$$
WAY-227986
csChFnd80/06171916332D

 19 20  0  0  0  0  0  0  0  0999 V2000
    7.0077    1.4263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7328    0.1886    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6110    1.4263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3970    1.3909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7996    1.3909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7328    2.6345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2003    2.5756    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9037    0.1886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9037    2.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5069    0.1886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5069    2.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1296    0.1886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8308    1.3909    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.3970    2.7877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3970    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1551    3.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2276    1.5501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4399    2.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5 11  2  0  0  0  0
  6  1  2  0  0  0  0
  7 13  1  0  0  0  0
  8  3  1  0  0  0  0
  9  3  2  0  0  0  0
 10  8  2  0  0  0  0
 11  9  1  0  0  0  0
 12  2  1  0  0  0  0
 13 12  1  0  0  0  0
 14  4  1  0  0  0  0
 15  4  1  0  0  0  0
 16  4  1  0  0  0  0
 17  7  1  0  0  0  0
 18 13  1  0  0  0  0
 19 18  1  0  0  0  0
 10  5  1  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (5,385)
5385

>  <Formula> (5,385)
C16H23NO2

>  <MolWeight> (5,385)
261.35932

>  <COMPOUND_NAME> (5,385)
WAY-227986

>  <BAR_CODE_NO> (5,385)
3900834

$$$$
WAY-229849
csChFnd80/06171916332D

 23 25  0  0  0  0  0  0  0  0999 V2000
    2.8828   -0.8551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -1.5551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3241   -0.2240    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7000   -0.8551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6483   -1.3723    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8621   -2.2723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5621   -0.5723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1103   -1.5723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6966   -2.2861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8483   -0.1585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8448    0.6656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1310    1.0760    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5897    1.4760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000    1.0656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5897    2.2932    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0034    1.4760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7172    1.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7172    0.2277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4241    1.4760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4241   -0.1861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0034   -0.1861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1517    1.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1517    0.2277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  6  9  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
  5  7  2  0  0  0  0
  8  9  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (5,386)
5386

>  <Formula> (5,386)
C18H19N3O2

>  <MolWeight> (5,386)
309.36236

>  <COMPOUND_NAME> (5,386)
WAY-229849

>  <BAR_CODE_NO> (5,386)
3899599

$$$$
WAY-232409
csChFnd80/06171916332D

 24 26  0  0  0  0  0  0  0  0999 V2000
    2.2245   -0.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6728   -1.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2935   -0.2690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6728    0.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5866   -1.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2107   -1.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8487    0.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5866    0.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0383   -0.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6728   -2.6517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2935   -1.8897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0686    0.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2935    1.3345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5168    1.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5479   -0.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4479    1.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4479   -0.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8996    0.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8375    0.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2893    1.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2893   -0.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1996    1.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1996   -0.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6513    0.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  7 13  2  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
  8  9  2  0  0  0  0
 17 18  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (5,387)
5387

>  <Formula> (5,387)
C20H16N2O2

>  <MolWeight> (5,387)
316.35324

>  <COMPOUND_NAME> (5,387)
WAY-232409

>  <BAR_CODE_NO> (5,387)
3899625

$$$$
WAY-232580
csChFnd80/06171916332D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -2.0448   -0.4408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2069   -0.1615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0448   -1.3235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8069   -0.0028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7069   -0.8787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9276    0.6765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2069   -1.5787    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8069   -1.7615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5655   -1.3235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1724   -0.8787    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0448    0.8592    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5069    1.3592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6103   -1.6408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1931    1.6972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4862   -1.6408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1724   -2.4028    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0724    1.8972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3897    2.3592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9241   -0.8787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9241   -2.4028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3103    2.7213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1448    3.1592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8069   -0.8787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8103   -2.4028    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7103    3.3592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2552   -1.6408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9552    4.1489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 14 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  2  0  0  0  0
 15 20  1  0  0  0  0
 17 21  2  0  0  0  0
 18 22  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  2  0  0  0  0
 21 25  1  0  0  0  0
 23 26  2  0  0  0  0
 25 27  1  0  0  0  0
  5  7  1  0  0  0  0
  8  9  1  0  0  0  0
 22 25  2  0  0  0  0
 24 26  1  0  0  0  0
M  END
>  <Mol_ID> (5,388)
5388

>  <Formula> (5,388)
C21H19N3O2S

>  <MolWeight> (5,388)
377.45946

>  <COMPOUND_NAME> (5,388)
WAY-232580

>  <BAR_CODE_NO> (5,388)
3900541

$$$$
WAY-232781
csChFnd80/06171916332D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -0.6291   -0.5159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5946   -1.0642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6291    0.5979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3502   -1.0642    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5705   -0.5159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5877   -2.1848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3502    1.1531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5946    1.1531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3157   -0.5159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5705    0.5979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5394   -1.0814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5429   -2.7538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3157    0.5979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3502    2.2600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5394   -2.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2571    1.1531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2433    0.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2571    2.2220    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2088    1.1186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1502    0.4876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
 11 15  2  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
  8 10  2  0  0  0  0
  9 13  2  0  0  0  0
 12 15  1  0  0  0  0
M  END
>  <Mol_ID> (5,389)
5389

>  <Formula> (5,389)
C16H13NO3

>  <MolWeight> (5,389)
267.27932

>  <COMPOUND_NAME> (5,389)
WAY-232781

>  <BAR_CODE_NO> (5,389)
3899778

$$$$
WAY-234636
csChFnd80/06171916332D

 22 25  0  0  0  0  0  0  0  0999 V2000
   -1.3757   -0.0655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0757   -1.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4136   -0.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5239    0.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8929   -1.6552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0239   -1.0759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7446   -1.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1136    0.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3071   -0.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8653   -2.6759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7653   -1.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1343    0.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2554    0.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4757   -0.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0450   -0.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4657    1.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0243   -0.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4450    1.6034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2450    0.9448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2243    1.2862    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.0071    0.6138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3864    2.2931    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 11 14  1  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
  5  7  1  0  0  0  0
  6  9  1  0  0  0  0
 12 14  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (5,390)
5390

>  <Formula> (5,390)
C16H12N4O2

>  <MolWeight> (5,390)
292.29208

>  <COMPOUND_NAME> (5,390)
WAY-234636

>  <BAR_CODE_NO> (5,390)
3899404

$$$$
WAY-234870
csChFnd80/06171916332D

 14 15  0  0  0  0  0  0  0  0999 V2000
    0.4550    0.2301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6283    1.0176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1967    1.0134    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8825    0.2301    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2158   -0.2491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2342   -0.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2950    1.5009    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8550    0.5259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7075    0.2301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9575    1.0176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4092   -0.8366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2158   -1.0741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7925   -1.3866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9592   -2.1949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  1  0  0  0  0
  7  2  2  0  0  0  0
  8  6  2  0  0  0  0
  9  4  1  0  0  0  0
 10  9  1  0  0  0  0
 11  6  1  0  0  0  0
 12  5  1  0  0  0  0
 13 11  1  0  0  0  0
 14 13  1  0  0  0  0
  2  4  1  0  0  0  0
  7 10  1  0  0  0  0
M  END
>  <Mol_ID> (5,391)
5391

>  <Formula> (5,391)
C9H12N2O2S

>  <MolWeight> (5,391)
212.26878

>  <COMPOUND_NAME> (5,391)
WAY-234870

>  <BAR_CODE_NO> (5,391)
3900982

$$$$
WAY-298118
csChFnd80/06171916332D

 28 30  0  0  0  0  0  0  0  0999 V2000
   -1.9034    0.5759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6034    0.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0034    1.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1207    0.2172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3034    0.5759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8828   -0.7448    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3034    1.9345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4207    0.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9828    0.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7207   -0.7448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5207    1.5759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3621    2.7966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3793    0.3966    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4414    3.6552    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2207    2.7379    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5034    2.8759    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.4793   -0.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2586   -0.8241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3586   -1.6655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9586   -0.3034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1586   -2.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8379   -1.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2586   -2.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6172   -1.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7586   -0.6448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0379   -3.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7172   -2.6828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4586   -0.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
 22 25  1  0  0  0  0
 23 26  1  0  0  0  0
 24 27  1  0  0  0  0
 25 28  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <Mol_ID> (5,392)
5392

>  <Formula> (5,392)
C18H14F3N3O2S2

>  <MolWeight> (5,392)
425.4478696

>  <COMPOUND_NAME> (5,392)
WAY-298118

>  <BAR_CODE_NO> (5,392)
3899460

$$$$
WAY-298139
csChFnd80/06171916332D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.8450    0.9348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8450    1.7624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1312    0.5210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5588    0.5210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1312    2.1727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5623    2.1727    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5895    0.9348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2761    0.9348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5895    1.7624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2761    1.7624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2929    0.5210    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2929   -0.2997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5895   -0.7169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0032   -0.7169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5895   -1.5376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1312   -0.2997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1243   -1.9480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3032   -1.9480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8450   -0.7031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8450   -1.5376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3032   -2.7652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0170   -1.5273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 18 22  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (5,393)
5393

>  <Formula> (5,393)
C16H13NO5

>  <MolWeight> (5,393)
299.27812

>  <COMPOUND_NAME> (5,393)
WAY-298139

>  <BAR_CODE_NO> (5,393)
3899486

$$$$
WAY-298168
csChFnd80/06171916332D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -2.9670    0.0297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5325   -0.7220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3808    0.6815    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8325    0.0297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6808   -0.5358    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9670   -1.4703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.3229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2670   -0.7220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8325   -1.4703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8325    0.7539    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0808    0.3229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6709    0.7539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4192    0.3229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6709    1.6229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1709    0.7539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9226    0.3229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6709    0.7539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9226   -0.5461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4226    0.3229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6709   -0.9806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4226   -0.5461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  6  9  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
  5  7  2  0  0  0  0
  8  9  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (5,394)
5394

>  <Formula> (5,394)
C16H15N3OS

>  <MolWeight> (5,394)
297.3748

>  <COMPOUND_NAME> (5,394)
WAY-298168

>  <BAR_CODE_NO> (5,394)
3899525

$$$$
WAY-298197
csChFnd80/06171916332D

 16 17  0  0  0  0  0  0  0  0999 V2000
    1.0310   -0.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4310    0.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9690   -0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8690    0.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4000    0.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862   -1.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2310   -1.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3103   -0.5655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2103    0.9586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000    0.9828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6310   -0.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8379    0.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4897    1.7690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4690   -0.6621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0793   -0.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9310   -0.3310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
  6  8  1  0  0  0  0
 14 15  2  0  0  0  0
M  END
>  <Mol_ID> (5,395)
5395

>  <Formula> (5,395)
C11H9NO4

>  <MolWeight> (5,395)
219.19346

>  <COMPOUND_NAME> (5,395)
WAY-298197

>  <BAR_CODE_NO> (5,395)
3899569

$$$$
WAY-298199
csChFnd80/06171916332D

 16 17  0  0  0  0  0  0  0  0999 V2000
    2.2576    1.9821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7201    3.6404    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9034    1.2654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8534    0.9404    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5591    1.9821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0091    3.6404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1034   -0.4805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6409   -1.5347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2466    1.4696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6799   -0.2305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7076   -1.2305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3674   -1.4305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3424   -0.7596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7466   -2.4597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7924   -3.1472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4424   -3.6472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  7  2  0  0  0  0
  9  5  1  0  0  0  0
 10  9  1  0  0  0  0
 11  7  1  0  0  0  0
 12 10  2  0  0  0  0
 13 10  1  0  0  0  0
 14 13  2  0  0  0  0
 15 12  1  0  0  0  0
 16 14  1  0  0  0  0
  6  5  2  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <Mol_ID> (5,396)
5396

>  <Formula> (5,396)
C12H12N2OS

>  <MolWeight> (5,396)
232.30148

>  <COMPOUND_NAME> (5,396)
WAY-298199

>  <BAR_CODE_NO> (5,396)
3899571

$$$$
WAY-298205
csChFnd80/06171916332D

 25 26  0  0  0  0  0  0  0  0999 V2000
   -0.4103    0.8069    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.8724    0.2897    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2897    0.6655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6483    1.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3276   -0.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3483   -0.1724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3897    0.7448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5103    0.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3103    1.2276    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0103    1.7069    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.8759    2.1138    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.0241   -0.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1103   -0.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2276   -0.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0517   -0.5345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4759   -0.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5621   -1.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4517   -0.8103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7103    0.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2414   -1.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1276   -0.9724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9517   -1.3552    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4103    0.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5897   -0.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2724   -0.6345    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  5 12  2  0  0  0  0
  5 13  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  2  0  0  0  0
 12 16  1  0  0  0  0
 13 17  2  0  0  0  0
 14 18  1  0  0  0  0
 14 19  2  0  0  0  0
 16 20  2  0  0  0  0
 18 21  2  0  0  0  0
 18 22  1  0  0  0  0
 19 23  1  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 17 20  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (5,397)
5397

>  <Formula> (5,397)
C15H10Cl5NO3S

>  <MolWeight> (5,397)
461.5748

>  <COMPOUND_NAME> (5,397)
WAY-298205

>  <BAR_CODE_NO> (5,397)
3899577

$$$$
WAY-298218
csChFnd80/06171916332D

 24 26  0  0  0  0  0  0  0  0999 V2000
    0.0792   -1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2625   -1.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6000   -1.5542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792   -0.4167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7167   -1.5542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2625   -0.4167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083   -1.5542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5458   -0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5458   -1.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7167   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3542   -1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3542   -0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1833   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1833   -1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8208   -0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8208   -1.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4708   -0.0292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083    0.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3500    0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542    0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1708   -0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1708   -1.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  2  2  0  0  0  0
  8 10  2  0  0  0  0
  9  6  2  0  0  0  0
 10  7  1  0  0  0  0
 11  4  1  0  0  0  0
 12  5  2  0  0  0  0
 13 12  1  0  0  0  0
 14  8  1  0  0  0  0
 15 10  1  0  0  0  0
 16 17  1  0  0  0  0
 17 15  2  0  0  0  0
 18 16  1  0  0  0  0
 19  9  1  0  0  0  0
 20 11  1  0  0  0  0
 21 11  1  0  0  0  0
 22 12  1  0  0  0  0
 23 18  1  0  0  0  0
 24 23  1  0  0  0  0
 11 13  1  0  0  0  0
  9  8  1  0  0  0  0
 16 14  2  0  0  0  0
M  END
>  <Mol_ID> (5,398)
5398

>  <Formula> (5,398)
C18H23N5O

>  <MolWeight> (5,398)
325.40812

>  <COMPOUND_NAME> (5,398)
WAY-298218

>  <BAR_CODE_NO> (5,398)
3899596

$$$$
WAY-298235
csChFnd80/06171916332D

 22 23  0  0  0  0  0  0  0  0999 V2000
    1.7446   -0.4553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5757   -0.9346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7446    0.5033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9136   -0.9760    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4343   -0.4553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5757    0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0653   -0.4967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4343    0.5033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7657   -0.9760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0343    0.4654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2860    0.9827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5968   -0.4967    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7657   -1.9449    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2860    1.9447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4450   -0.9760    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1136    2.4240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2761   -0.4967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2761    0.4654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1071   -0.9760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1071    0.9447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9347   -0.4967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9347    0.4654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  2  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
  6  8  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (5,399)
5399

>  <Formula> (5,399)
C16H21N3O3

>  <MolWeight> (5,399)
303.35624

>  <COMPOUND_NAME> (5,399)
WAY-298235

>  <BAR_CODE_NO> (5,399)
3899626

$$$$
WAY-298274
csChFnd80/06171916332D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -1.2655   -0.3448    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.5655   -0.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4966    0.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5276   -1.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2103    0.7828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2345   -1.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7138    0.2552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8862    1.8828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7138   -1.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4759    0.7828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5276   -1.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7724    0.9828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7241   -1.8069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1483   -0.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9414    0.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0034    1.1828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0724   -0.8448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1655    0.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2241    1.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  9 13  2  0  0  0  0
 10 14  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
  7  9  1  0  0  0  0
 11 14  2  0  0  0  0
M  END
>  <Mol_ID> (5,400)
5400

>  <Formula> (5,400)
C14H15NO4

>  <MolWeight> (5,400)
261.2732

>  <COMPOUND_NAME> (5,400)
WAY-298274

>  <BAR_CODE_NO> (5,400)
3899680

$$$$
WAY-298278
csChFnd80/06171916332D

 27 30  0  0  0  0  0  0  0  0999 V2000
    6.3675   -3.5665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3675   -1.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3715   -4.2450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5040   -4.6330    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6110   -2.4890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3715   -0.7760    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6505   -1.4330    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6505   -3.5665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5040   -0.3665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7440   -2.4890    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8995    1.2820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7545   -4.6330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5040    1.7670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9685    1.8315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5040   -6.7665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8080   -0.3665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5070    3.8790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5545    4.4495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8000   -4.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8000   -0.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5240    0.8725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4555    0.3230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0735    2.9305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0605    6.5185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9440   -0.6465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9120   -4.3420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -2.4995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  2  0  0  0  0
  6  2  1  0  0  0  0
  7  8  1  0  0  0  0
  8  4  1  0  0  0  0
  9  2  1  0  0  0  0
 10  5  1  0  0  0  0
 11  6  1  0  0  0  0
 12  8  2  0  0  0  0
 13  9  2  0  0  0  0
 14 11  1  0  0  0  0
 15  4  1  0  0  0  0
 16  7  1  0  0  0  0
 17 14  1  0  0  0  0
 18 17  2  0  0  0  0
 19 10  1  0  0  0  0
 20 10  1  0  0  0  0
 21 22  1  0  0  0  0
 22 14  2  0  0  0  0
 23 21  2  0  0  0  0
 24 18  1  0  0  0  0
 25 20  1  0  0  0  0
 26 19  1  0  0  0  0
 27 25  1  0  0  0  0
  7  9  1  0  0  0  0
  5  6  1  0  0  0  0
 27 26  1  0  0  0  0
 23 18  1  0  0  0  0
M  END
>  <Mol_ID> (5,401)
5401

>  <Formula> (5,401)
C20H25N5O2

>  <MolWeight> (5,401)
367.4448

>  <COMPOUND_NAME> (5,401)
WAY-298278

>  <BAR_CODE_NO> (5,401)
3899685

$$$$
WAY-298311-A
csChFnd80/06171916332D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -0.0966   -0.9552    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.5966   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7276   -0.9414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3345   -1.7517    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4103   -0.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1897    0.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000   -1.7172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4414   -0.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3414   -2.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8241    0.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6103    1.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7897   -1.9552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4276    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4207    1.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6448    0.3862    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.1414    0.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0586   -0.3310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0724    1.1000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.1276    1.5448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8414    1.9690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4172    1.9483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
 10 14  2  0  0  0  0
 10 15  1  0  0  0  0
 13 16  1  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
  7  9  1  0  0  0  0
 11 14  1  0  0  0  0
M  END
>  <Mol_ID> (5,402)
5402

>  <Formula> (5,402)
C14H19N3O3S

>  <MolWeight> (5,402)
309.38396

>  <COMPOUND_NAME> (5,402)
WAY-298311-A

>  <BAR_CODE_NO> (5,402)
3899723

$$$$
WAY-298505
csChFnd80/06171916332D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -1.7138   -0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7138    0.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2931   -0.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1379   -0.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1379    0.7966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2931    0.7966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2931   -1.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1379   -1.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5655    0.4655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7138   -1.5483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0172    0.7966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6103    0.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1966    0.7966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862    0.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862   -0.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3621    0.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3621   -0.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9448    0.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9448   -0.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  7 10  2  0  0  0  0
  9 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
  8 10  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (5,403)
5403

>  <Formula> (5,403)
C15H13N3O

>  <MolWeight> (5,403)
251.28322

>  <COMPOUND_NAME> (5,403)
WAY-298505

>  <BAR_CODE_NO> (5,403)
3900011

$$$$
WAY-298592
csChFnd80/06171916332D

 25 28  0  0  0  0  0  0  0  0999 V2000
    3.6214    4.1814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6214    2.7814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0481    4.1814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4080    4.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8285    4.8971    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0481    2.7814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8285    2.1094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4080    2.1094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1884    4.1814    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1884    2.7814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2615    4.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4749    5.6002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8285    6.2908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4080    6.2908    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2615    2.0596    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6214    6.9877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0481    6.9877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6214    8.3815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0481    8.3815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8285    9.0908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4391    0.7156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8285   10.4721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2321    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  5  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  2  0  0  0  0
  7  2  1  0  0  0  0
  8  2  1  0  0  0  0
  9  4  1  0  0  0  0
 10  9  1  0  0  0  0
 11  3  1  0  0  0  0
 12 11  3  0  0  0  0
 13  5  1  0  0  0  0
 14  4  2  0  0  0  0
 15  6  1  0  0  0  0
 16 13  1  0  0  0  0
 17 13  2  0  0  0  0
 18 16  2  0  0  0  0
 19 17  1  0  0  0  0
 20 19  2  0  0  0  0
 21  8  1  0  0  0  0
 22 10  1  0  0  0  0
 23 20  1  0  0  0  0
 24 21  2  0  0  0  0
 25 22  2  0  0  0  0
  7  6  1  0  0  0  0
 10  8  2  0  0  0  0
 20 18  1  0  0  0  0
 25 24  1  0  0  0  0
M  END
>  <Mol_ID> (5,404)
5404

>  <Formula> (5,404)
C20H14N2O3

>  <MolWeight> (5,404)
330.33676

>  <COMPOUND_NAME> (5,404)
WAY-298592

>  <BAR_CODE_NO> (5,404)
3900125

$$$$
WAY-298681
csChFnd80/06171916332D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -0.1276   -0.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5897    0.4000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.1276   -0.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8379    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3069   -0.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5897    1.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8379   -1.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5897   -1.2586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5586   -0.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8379    1.2276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3069   -0.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0310    0.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1276    1.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3069    1.6448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5586   -0.8448    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.0310   -1.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7483   -0.0069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0310    1.2276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1276    2.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3069    2.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2724   -1.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4621    0.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5862    2.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9897   -0.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2690   -2.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1759   -0.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7000   -1.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9793   -2.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7000   -2.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  2  0  0  0  0
  7 15  1  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 12 18  2  0  0  0  0
 13 19  2  0  0  0  0
 14 20  1  0  0  0  0
 15 21  1  0  0  0  0
 17 22  1  0  0  0  0
 19 23  1  0  0  0  0
 21 24  2  0  0  0  0
 21 25  1  0  0  0  0
 22 26  1  0  0  0  0
 24 27  1  0  0  0  0
 25 28  2  0  0  0  0
 27 29  2  0  0  0  0
  8 11  1  0  0  0  0
  9 15  1  0  0  0  0
 20 23  2  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (5,405)
5405

>  <Formula> (5,405)
C24H24N2O3

>  <MolWeight> (5,405)
388.45896

>  <COMPOUND_NAME> (5,405)
WAY-298681

>  <BAR_CODE_NO> (5,405)
3900231

$$$$
WAY-298713
csChFnd80/06171916332D

 23 25  0  0  0  0  0  0  0  0999 V2000
    1.4995   -0.1998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2167   -0.5860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7650   -0.5929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5167    0.6174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2409   -1.4101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9167   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0754   -0.1619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167    1.0519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9754   -1.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6409   -0.5481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0995    0.6657    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6754   -1.3619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9995   -2.6446    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.6108    1.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3350    0.7140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833    1.9278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0246    1.1519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7591    0.7554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4453    1.1899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7833   -0.0619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1764    0.8071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5108   -0.4481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2108   -0.0101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 13  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
  8 11  1  0  0  0  0
 10 12  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (5,406)
5406

>  <Formula> (5,406)
C18H19ClN2O2

>  <MolWeight> (5,406)
330.80866

>  <COMPOUND_NAME> (5,406)
WAY-298713

>  <BAR_CODE_NO> (5,406)
3900273

$$$$
WAY-298716
csChFnd80/06171916332D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.2871   -0.5946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2871   -1.7601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3734   -0.2463    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7163   -0.0290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7163   -2.3359    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3734   -2.1083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7561    0.8537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0285   -1.1704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7404   -0.6152    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7163    1.1365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7404   -1.7497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7163   -3.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0147    1.7227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1699   -1.1704    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.7853   -0.0601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7853   -2.3049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1163    1.5296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3975    2.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8577    2.4089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6665    3.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4646    3.4986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 11 16  2  0  0  0  0
 13 17  1  0  0  0  0
 13 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
  6  8  2  0  0  0  0
  9 11  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (5,407)
5407

>  <Formula> (5,407)
C14H13ClN4O2

>  <MolWeight> (5,407)
304.73162

>  <COMPOUND_NAME> (5,407)
WAY-298716

>  <BAR_CODE_NO> (5,407)
3900276

$$$$
WAY-298730
csChFnd80/06171916332D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -0.5884    0.0840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5876    0.0253    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1263    1.1391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2332   -0.9057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2324    1.0219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1324   -1.0264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3159    1.1978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4159   -0.8471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4185    0.9598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6945    2.0771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3152   -1.0816    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4876   -2.0195    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9539    0.2012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9600   -0.0885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1434    0.2598    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8290   -0.8919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9048    0.6219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7849   -0.7264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  9 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
  8 13  2  0  0  0  0
 11 14  1  0  0  0  0
M  END
>  <Mol_ID> (5,408)
5408

>  <Formula> (5,408)
C14H18N2OS

>  <MolWeight> (5,408)
262.37052

>  <COMPOUND_NAME> (5,408)
WAY-298730

>  <BAR_CODE_NO> (5,408)
3900293

$$$$
WAY-298755
csChFnd80/06171916332D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -1.2037   -0.3127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4704    0.0957    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9879    0.0957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9037    0.1040    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2121   -1.1335    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1588    0.0957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0704    0.8040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0704   -0.6127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9796   -0.7335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9796    0.9165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7463   -0.6127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7463    0.8040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7037   -0.0960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8088    0.0957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3204   -0.0627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1412   -0.0460    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1121   -0.7960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1037    0.6248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9204   -0.7835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9037    0.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2671    1.3248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6879    1.3373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2588   -1.1460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6879   -1.1460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6879    2.1540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2463   -1.9627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6879   -1.9627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2588    2.1457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9796    2.5540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9671   -2.3835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  6  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  2  0  0  0  0
  6 11  1  0  0  0  0
  7  2  1  0  0  0  0
  8  2  1  0  0  0  0
  9  3  1  0  0  0  0
 10  3  1  0  0  0  0
 11  8  1  0  0  0  0
 12  7  1  0  0  0  0
 13  4  1  0  0  0  0
 14  3  1  0  0  0  0
 15 20  1  0  0  0  0
 16 15  1  0  0  0  0
 17 13  2  0  0  0  0
 18 13  1  0  0  0  0
 19 17  1  0  0  0  0
 20 18  2  0  0  0  0
 21 10  1  0  0  0  0
 22 10  2  0  0  0  0
 23  9  2  0  0  0  0
 24  9  1  0  0  0  0
 25 22  1  0  0  0  0
 26 23  1  0  0  0  0
 27 24  2  0  0  0  0
 28 21  2  0  0  0  0
 29 25  2  0  0  0  0
 30 27  1  0  0  0  0
  6 12  1  0  0  0  0
 15 19  2  0  0  0  0
 28 29  1  0  0  0  0
 30 26  2  0  0  0  0
M  END
>  <Mol_ID> (5,409)
5409

>  <Formula> (5,409)
C25H25FN2OS

>  <MolWeight> (5,409)
420.5422032

>  <COMPOUND_NAME> (5,409)
WAY-298755

>  <BAR_CODE_NO> (5,409)
3900322

$$$$
WAY-298779
csChFnd80/06171916332D

 28 30  0  0  0  0  0  0  0  0999 V2000
   -2.2517    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0138    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7310   -0.3345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9138    0.8655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3724    0.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3724   -0.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0724    0.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8310   -1.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1931    0.7448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1310    0.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1310   -0.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3724   -0.3345    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4931    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2483    0.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2517    0.2034    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.9276   -0.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5483    0.2034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9862   -0.9552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2276   -0.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8276    0.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2862   -0.8552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5069   -0.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9483   -1.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5862   -0.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1069    0.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7069    0.8241    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6862    1.0034    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.5276   -0.1966    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
 10 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
 22 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
  7  9  2  0  0  0  0
 11 13  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (5,410)
5410

>  <Formula> (5,410)
C18H14ClF3N4OS

>  <MolWeight> (5,410)
426.8431696

>  <COMPOUND_NAME> (5,410)
WAY-298779

>  <BAR_CODE_NO> (5,410)
3900350

$$$$
WAY-298803
csChFnd80/06171916332D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -2.3404    0.5617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7887    1.3651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4266    0.5617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8197   -0.2142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7162    1.3651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3300    2.1686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9680   -0.2349    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9680    1.3376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7231   -0.1866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1576    0.5755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4266    2.1582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7990    2.9686    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0852   -0.2418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3734   -1.0176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4010    0.5272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2872   -1.0280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3148    0.5272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7493   -0.2418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6769   -0.2142    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1700   -1.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7148   -1.7935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0734   -1.0038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1700   -2.5797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5320   -1.7797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0872   -2.5797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
  9 10  1  0  0  0  0
 17 18  2  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (5,411)
5411

>  <Formula> (5,411)
C20H16N2O3

>  <MolWeight> (5,411)
332.35264

>  <COMPOUND_NAME> (5,411)
WAY-298803

>  <BAR_CODE_NO> (5,411)
3900381

$$$$
WAY-298824-A
csChFnd80/06171916332D

 28 30  0  0  0  0  0  0  0  0999 V2000
   -2.4448   -0.9966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2448   -1.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6621   -1.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4448   -0.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0241   -1.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2448   -2.3966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8828   -0.9966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6621    0.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8069   -1.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0241   -0.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8828   -0.0759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5828   -1.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8069    0.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0828    0.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5828   -0.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7172   -0.0759    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.5172    0.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7172   -0.9966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2931   -0.0586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0759    0.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8552   -0.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0759    1.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6379    0.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8552    1.7483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6379    1.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4069    1.7724    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.3759    2.6724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1931    1.3345    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  7 11  1  0  0  0  0
  9 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
  8 11  1  0  0  0  0
 13 15  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (5,412)
5412

>  <Formula> (5,412)
C20H23N3O5

>  <MolWeight> (5,412)
385.41372

>  <COMPOUND_NAME> (5,412)
WAY-298824-A

>  <BAR_CODE_NO> (5,412)
3900406

$$$$
WAY-298840
csChFnd80/06171916332D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -0.0310   -0.4655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4552    0.0310    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.6552   -0.1552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0379   -1.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1345    0.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0552    0.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9483   -0.4586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5517    0.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5621   -1.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6276   -1.5207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8724    1.0552    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6552    0.7310    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.5483   -0.1069    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0379    1.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5621   -2.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1655   -1.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8655    1.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7138    0.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1552   -2.5483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7655   -1.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3552    2.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2069    1.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7621   -2.2069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0276    2.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5276    2.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  2  0  0  0  0
  9 16  1  0  0  0  0
 14 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  2  0  0  0  0
 17 21  1  0  0  0  0
 18 22  2  0  0  0  0
 19 23  2  0  0  0  0
 21 24  2  0  0  0  0
 24 25  1  0  0  0  0
  5  8  1  0  0  0  0
 20 23  1  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <Mol_ID> (5,413)
5413

>  <Formula> (5,413)
C17H14F3N3O2

>  <MolWeight> (5,413)
349.3071696

>  <COMPOUND_NAME> (5,413)
WAY-298840

>  <BAR_CODE_NO> (5,413)
3900431

$$$$
WAY-298844
csChFnd80/06171916332D

 22 25  0  0  0  0  0  0  0  0999 V2000
    0.1978   -0.8398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2116   -1.7053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9427   -0.4053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5539   -0.4053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9565   -2.1329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5263   -2.1329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9289    0.4602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7013   -0.8398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5539    0.4602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2953   -0.8398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7013   -1.7053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7530   -2.8432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2849   -1.7053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2849   -2.8432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1875    0.8844    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6875    0.8947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3056    0.8947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1875    1.7499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5539    2.1844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5366    3.0499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2849    3.4775    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2746    4.3430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  6 13  2  0  0  0  0
  6 14  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  2  0  0  0  0
  9 17  2  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
  8 11  1  0  0  0  0
  9 15  1  0  0  0  0
 10 13  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <Mol_ID> (5,414)
5414

>  <Formula> (5,414)
C18H17NO3

>  <MolWeight> (5,414)
295.33248

>  <COMPOUND_NAME> (5,414)
WAY-298844

>  <BAR_CODE_NO> (5,414)
3900441

$$$$
WAY-298847
csChFnd80/06171916332D

 26 28  0  0  0  0  0  0  0  0999 V2000
    0.7310    0.0793    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.7310   -0.8586    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.5310    0.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0690    0.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0690   -1.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5517   -1.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5517    1.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3310    0.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8690    0.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8690   -0.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0690   -2.2379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5310   -2.2586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3517   -0.8759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3310    1.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1310    0.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6517    0.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3310   -2.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1310    1.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6517    1.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4483    0.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3310   -3.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4310    1.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2483    0.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2483    1.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0690    1.9241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8483    1.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  6 13  2  0  0  0  0
  7 14  1  0  0  0  0
  8 15  2  0  0  0  0
  9 16  1  0  0  0  0
 12 17  1  0  0  0  0
 14 18  2  0  0  0  0
 16 19  1  0  0  0  0
 16 20  2  0  0  0  0
 17 21  1  0  0  0  0
 19 22  2  0  0  0  0
 20 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
  9 10  2  0  0  0  0
 15 18  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (5,415)
5415

>  <Formula> (5,415)
C22H22O4

>  <MolWeight> (5,415)
350.40768

>  <COMPOUND_NAME> (5,415)
WAY-298847

>  <BAR_CODE_NO> (5,415)
3900446

$$$$
WAY-298849
csChFnd80/06171916332D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -2.9586    0.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2483    0.2103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2655    1.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3448   -0.9724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9759    1.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0483   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9690    1.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0448   -1.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2276    0.9379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2655   -0.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3621    0.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9345    0.0345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2000    0.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4621    0.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2069    1.6241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8310   -1.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3759    0.9552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1034   -1.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9276   -2.2000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.6517    0.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0103   -0.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
  8 11  2  0  0  0  0
  9 10  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (5,416)
5416

>  <Formula> (5,416)
C17H17FN2O

>  <MolWeight> (5,416)
284.3280832

>  <COMPOUND_NAME> (5,416)
WAY-298849

>  <BAR_CODE_NO> (5,416)
3900448

$$$$
WAY-298854
csChFnd80/06171916332D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -0.2448   -0.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4517    0.2828    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.2448   -0.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9207    0.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4517    1.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0793   -0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9207   -1.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4517   -1.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000   -0.1034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9207    1.0655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1000    1.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2448    1.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0793   -0.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7897    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000   -0.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9207   -2.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1000    2.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7793    1.0793    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.2448    2.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7897   -1.3172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4793    0.7207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2828   -1.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000   -2.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4517    2.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2828   -2.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  6 13  2  0  0  0  0
  6 14  1  0  0  0  0
  7 15  2  0  0  0  0
  7 16  1  0  0  0  0
 11 17  1  0  0  0  0
 11 18  1  0  0  0  0
 12 19  2  0  0  0  0
 13 20  1  0  0  0  0
 14 21  3  0  0  0  0
 15 22  1  0  0  0  0
 16 23  2  0  0  0  0
 17 24  2  0  0  0  0
 22 25  2  0  0  0  0
  8 13  1  0  0  0  0
  9 15  1  0  0  0  0
 19 24  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (5,417)
5417

>  <Formula> (5,417)
C19H11BrN2O3

>  <MolWeight> (5,417)
395.20624

>  <COMPOUND_NAME> (5,417)
WAY-298854

>  <BAR_CODE_NO> (5,417)
3900455

$$$$
WAY-298877
csChFnd80/06171916332D

 25 27  0  0  0  0  0  0  0  0999 V2000
    0.0483    0.0828    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.5310   -0.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6241   -0.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0483    0.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5310   -0.9103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1138    0.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6241   -0.9103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1483    0.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5276    1.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6172    1.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0483   -1.2345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1138   -1.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6931   -0.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1138    0.6828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2069   -1.2345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7483   -0.3103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1483    0.5690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5138    1.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6241    1.7310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6931   -0.9103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3241    0.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0690    2.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0276   -1.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3828   -0.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9724   -0.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  2  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  2  0  0  0  0
  9 18  1  0  0  0  0
 10 19  2  0  0  0  0
 12 20  1  0  0  0  0
 16 21  1  0  0  0  0
 18 22  2  0  0  0  0
 20 23  1  0  0  0  0
 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
  7 11  1  0  0  0  0
 13 20  1  0  0  0  0
 19 22  1  0  0  0  0
M  END
>  <Mol_ID> (5,418)
5418

>  <Formula> (5,418)
C19H22N2O4

>  <MolWeight> (5,418)
342.38898

>  <COMPOUND_NAME> (5,418)
WAY-298877

>  <BAR_CODE_NO> (5,418)
3900490

$$$$
WAY-298899
csChFnd80/06171916332D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -2.4067   -0.2934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5343   -0.7934    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4067    0.7445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3343   -0.7934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5964   -0.2934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3067    1.2859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2170   -0.2451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3036   -0.8348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5964    0.7445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2170    0.7963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2347   -0.2934    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3036   -1.8762    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1170    1.3756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1450   -0.8348    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0450   -0.2934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9450   -0.8348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0450    0.7445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8830   -0.3348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9450    1.2859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8830    0.7445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  2  0  0  0  0
  8 11  1  0  0  0  0
  8 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
  7 10  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (5,419)
5419

>  <Formula> (5,419)
C15H19N3O2

>  <MolWeight> (5,419)
273.33026

>  <COMPOUND_NAME> (5,419)
WAY-298899

>  <BAR_CODE_NO> (5,419)
3900517

$$$$
WAY-298953
csChFnd80/06171916332D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -2.4453   -0.1059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4453   -1.0335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6384    0.3561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2728    0.3561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6384   -1.5025    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2728   -1.5025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8108   -0.1163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6384    1.3044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0935   -0.1163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8108   -1.0232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6384   -2.4439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0935   -1.0232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0134    0.3389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0134   -1.4887    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8349   -2.9059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8099   -0.1542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0444    1.2699    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6375    0.2975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7754    1.2493    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4892   -0.1059    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.6927    1.4044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1513    0.5872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1754    2.2113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1099    0.5596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1237    2.2044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5961    1.3837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
 10 14  2  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  2  0  0  0  0
  7 10  1  0  0  0  0
  9 12  1  0  0  0  0
 21 22  2  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (5,420)
5420

>  <Formula> (5,420)
C19H15N3O3S

>  <MolWeight> (5,420)
365.4057

>  <COMPOUND_NAME> (5,420)
WAY-298953

>  <BAR_CODE_NO> (5,420)
3900590

$$$$
WAY-299026
csChFnd80/06171916332D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -1.3210    0.0503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9330   -0.0997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8230   -0.3097    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1470    0.6203    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3350    0.3173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1190   -0.6757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3460    0.0803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5560    0.6203    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9200    0.1973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1580    0.9143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7010   -0.8227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2240   -0.0937    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1060   -0.3727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6650    0.3353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2530    0.1913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6850    0.5963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4060   -0.3967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2730    0.4343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9880   -0.5647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4170   -0.1297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9960   -0.2557    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.3920    0.1913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1670   -0.8287    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  4  1  2  0  0  0  0
  2  5  1  0  0  0  0
  6  2  2  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  9 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 18 16  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
  7  8  1  0  0  0  0
 13 11  2  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (5,421)
5421

>  <Formula> (5,421)
C15H12N4O3S

>  <MolWeight> (5,421)
328.34578

>  <COMPOUND_NAME> (5,421)
WAY-299026

>  <BAR_CODE_NO> (5,421)
3900685

$$$$
WAY-299033
csChFnd80/06171916332D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -1.2486   -0.6171    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9106   -1.1275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5624   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2486    0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7175   -0.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6279   -1.9102    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8003   -1.9102    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2514   -0.8171    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5624    0.6380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9865    0.6346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0175   -0.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3796   -1.4171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3997    0.0380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5624    1.4898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9865    1.5104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8658   -0.1620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0865   -0.9620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1997    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2658    1.9104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8619   -0.2171    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3619    1.1518    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6514    0.0829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7722    0.9104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3136   -0.4482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5619    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0997   -0.1413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2342    0.6898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1205    0.9898    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  2  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 13 18  1  0  0  0  0
 14 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
  6  7  1  0  0  0  0
 15 19  2  0  0  0  0
 16 17  2  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <Mol_ID> (5,422)
5422

>  <Formula> (5,422)
C20H15FN4O2S

>  <MolWeight> (5,422)
394.4221032

>  <COMPOUND_NAME> (5,422)
WAY-299033

>  <BAR_CODE_NO> (5,422)
3900693

$$$$
WAY-299050
csChFnd80/06171916332D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -1.8483    0.4414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9000    0.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3207   -0.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1207    1.2414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6207    1.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2207   -0.8069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2655   -0.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7655   -1.4828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1207    0.7931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6724    0.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2862   -1.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5345   -0.9828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8345    1.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9862   -0.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5793   -0.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8138    0.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3517   -1.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8345    0.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3793   -1.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6138   -0.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0793    1.7586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6517    0.2931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4517   -0.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  2  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
  7  9  1  0  0  0  0
 11 14  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (5,423)
5423

>  <Formula> (5,423)
C18H16N2O3

>  <MolWeight> (5,423)
308.33124

>  <COMPOUND_NAME> (5,423)
WAY-299050

>  <BAR_CODE_NO> (5,423)
3900715

$$$$
WAY-299052
csChFnd80/06171916332D

 20 21  0  0  0  0  0  0  0  0999 V2000
    0.6100    2.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6100    0.9586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4520    2.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4756    2.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5756    0.4103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4520    0.6207    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1037    1.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4687    3.8207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5238    2.3172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5756   -0.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2244    1.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6100   -1.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5238   -1.2414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6100   -2.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3624   -0.7172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3624   -2.9345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3417   -1.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3417   -2.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4417   -3.0207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5003   -2.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  7 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
  6  7  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (5,424)
5424

>  <Formula> (5,424)
C14H13NO4S

>  <MolWeight> (5,424)
291.32232

>  <COMPOUND_NAME> (5,424)
WAY-299052

>  <BAR_CODE_NO> (5,424)
3900719

$$$$
WAY-299061
csChFnd80/06171916332D

 18 19  0  0  0  0  0  0  0  0999 V2000
    1.3345   -0.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4931   -0.6345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7621   -1.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7517    0.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0724    0.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6034   -1.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5931    0.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7655    0.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4724    0.8034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0345   -0.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1655    0.7862    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.8621   -0.6241    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.0069    0.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5276    0.0966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5276    1.4759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3483    0.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2862   -0.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3483    1.2345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  2  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
  7 10  1  0  0  0  0
 16 18  2  0  0  0  0
M  END
>  <Mol_ID> (5,425)
5425

>  <Formula> (5,425)
C11H11ClN4OS

>  <MolWeight> (5,425)
282.74924

>  <COMPOUND_NAME> (5,425)
WAY-299061

>  <BAR_CODE_NO> (5,425)
3900734

$$$$
WAY-299103
csChFnd80/06171916332D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -2.1347   -0.8276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5657    0.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6036   -0.9483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6416   -1.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4416   -2.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5140    1.7897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0347    0.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2895    0.2966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0895   -2.3069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9071   -2.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5140   -3.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9450    3.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5032    2.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7688    0.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4209    3.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4619   -1.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6412    1.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9929   -1.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1550    1.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8205   -0.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  2  0  0  0  0
  3  8  1  0  0  0  0
  3  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 10 11  1  0  0  0  0
 13 15  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (5,426)
5426

>  <Formula> (5,426)
C18H19NO

>  <MolWeight> (5,426)
265.34956

>  <COMPOUND_NAME> (5,426)
WAY-299103

>  <BAR_CODE_NO> (5,426)
3900786

$$$$
WAY-299118
csChFnd80/06171916332D

 22 24  0  0  0  0  0  0  0  0999 V2000
    5.0076    2.2447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0076    4.5177    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1907    3.3740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3503    2.6922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3503    4.0701    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5435    1.9890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.9018    1.3639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2514    1.7332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7916    3.3883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9002    2.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5253    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6064    3.0899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2530    0.7316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9576    2.4720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5954    1.1082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9563    3.4381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3215    2.8414    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0812    2.1948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0812    4.6030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6961    2.1948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6961    4.6030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  4  1  0  0  0  0
  7 10  1  0  0  0  0
  8  7  1  0  0  0  0
  9  3  1  0  0  0  0
 10  6  1  0  0  0  0
 11  7  2  0  0  0  0
 12  8  1  0  0  0  0
 13  8  2  0  0  0  0
 14 15  2  0  0  0  0
 15 13  1  0  0  0  0
 16 12  2  0  0  0  0
 17 14  1  0  0  0  0
 18  9  2  0  0  0  0
 19  9  1  0  0  0  0
 20 18  1  0  0  0  0
 21 19  2  0  0  0  0
 22 21  1  0  0  0  0
  2  5  1  0  0  0  0
 20 22  2  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <Mol_ID> (5,427)
5427

>  <Formula> (5,427)
C16H11FN2O2S

>  <MolWeight> (5,427)
314.3341432

>  <COMPOUND_NAME> (5,427)
WAY-299118

>  <BAR_CODE_NO> (5,427)
3900802

$$$$
WAY-299121-A
csChFnd80/06171916332D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -0.1345    1.8862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8552    1.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1345    2.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5931    1.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8552    0.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6069    2.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0655    2.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1069    0.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1207   -0.6414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6138    0.6379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1207   -1.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8069   -1.8793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5931   -1.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8207   -2.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5931   -2.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1138   -3.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
  6  7  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (5,428)
5428

>  <Formula> (5,428)
C13H18N2O

>  <MolWeight> (5,428)
218.29482

>  <COMPOUND_NAME> (5,428)
WAY-299121-A

>  <BAR_CODE_NO> (5,428)
3900807

$$$$
WAY-299142
csChFnd80/06171916332D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.1828    1.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1586    1.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1172    0.4379    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6414    1.9621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4828    2.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414    0.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1172    0.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4414    1.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4586    2.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8207    1.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7172   -0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4414    1.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1414    2.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3172   -1.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9172   -2.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3172   -1.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5172   -3.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1034   -2.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5172   -3.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1172   -4.1000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  2  0  0  0  0
  9 13  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 19 20  1  0  0  0  0
  7  8  1  0  0  0  0
 10 13  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (5,429)
5429

>  <Formula> (5,429)
C15H15ClN2OS

>  <MolWeight> (5,429)
306.8104

>  <COMPOUND_NAME> (5,429)
WAY-299142

>  <BAR_CODE_NO> (5,429)
3900849

$$$$
WAY-299151
csChFnd80/06171916332D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.9283   -0.4452    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0127    1.2138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2827    0.6918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8627    0.2688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4397    1.1268    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3257    0.5388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4923   -0.6462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2383    0.3378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3493   -0.2502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7303   -1.0242    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1233    0.1158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8827    0.6648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6003   -1.2342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9513   -0.2622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6173   -1.0662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1523   -1.4442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5033   -0.4602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1783   -1.2912    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2097    1.1718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1647    0.1278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7707    0.1008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8157    1.1568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0977    0.6078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4  6  1  0  0  0  0
  5  6  2  0  0  0  0
  6  8  1  0  0  0  0
  7  1  1  0  0  0  0
  8  9  1  0  0  0  0
  9  1  1  0  0  0  0
 10  1  2  0  0  0  0
 11  1  2  0  0  0  0
 12  3  1  0  0  0  0
 13  7  2  0  0  0  0
 14  7  1  0  0  0  0
 15 17  1  0  0  0  0
 16 13  1  0  0  0  0
 14 17  2  0  0  0  0
 18 15  1  0  0  0  0
 19 12  1  0  0  0  0
 12 20  2  0  0  0  0
 21 20  1  0  0  0  0
 22 19  2  0  0  0  0
 21 23  2  0  0  0  0
 15 16  2  0  0  0  0
  3  2  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (5,430)
5430

>  <Formula> (5,430)
C16H13ClN2O3S

>  <MolWeight> (5,430)
348.80402

>  <COMPOUND_NAME> (5,430)
WAY-299151

>  <BAR_CODE_NO> (5,430)
3900867

$$$$
WAY-299174
csChFnd80/06171916332D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.4423    0.5287    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1757    0.8647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1757    1.5787    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0423    0.8647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0423    1.5787    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7757    0.5287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4063   -0.1853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6423    0.5287    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3757    0.8647    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7757   -0.1643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9757    0.5287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9757   -0.1643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1577   -0.5213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0423   -0.5213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4423   -1.5713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0423   -1.2173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1577   -1.2353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4423   -2.2853    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
 11 12  2  0  0  0  0
 17 15  2  0  0  0  0
  5  3  1  0  0  0  0
 18 15  1  0  0  0  0
 17 13  1  0  0  0  0
 16 14  2  0  0  0  0
 15 16  1  0  0  0  0
 14  7  1  0  0  0  0
  7 13  2  0  0  0  0
 12 10  1  0  0  0  0
 11  9  1  0  0  0  0
 10  6  2  0  0  0  0
  9  6  1  0  0  0  0
  8  4  2  0  0  0  0
  7  1  1  0  0  0  0
  6  2  1  0  0  0  0
  5  4  1  0  0  0  0
  4  1  1  0  0  0  0
  3  2  2  0  0  0  0
  2  1  1  0  0  0  0
M  END
>  <Mol_ID> (5,431)
5431

>  <Formula> (5,431)
C12H8ClN3OS

>  <MolWeight> (5,431)
277.72942

>  <COMPOUND_NAME> (5,431)
WAY-299174

>  <BAR_CODE_NO> (5,431)
3900895

$$$$
WAY-299184
csChFnd80/06171916332D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -2.0972    0.3313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3592    0.3451    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3592   -0.6963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6972    1.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7592    1.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2040   -0.6169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0937   -0.6963    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7592   -1.8963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7316    2.2796    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4972    1.9175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9799    1.8037    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4420   -0.3445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2822   -1.8963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7213   -2.6342    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8420    0.8555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4822   -2.2825    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4201   -1.4445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1580   -0.2169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6063   -1.8342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0960    0.6348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5580   -1.0031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2960    0.2348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2304    1.0796    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.9822    2.3175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4304    0.6796    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
 11 15  2  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
  5  9  2  0  0  0  0
 12 15  1  0  0  0  0
 13 14  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (5,432)
5432

>  <Formula> (5,432)
C16H12N6O2S

>  <MolWeight> (5,432)
352.37048

>  <COMPOUND_NAME> (5,432)
WAY-299184

>  <BAR_CODE_NO> (5,432)
3900907

$$$$
WAY-299185
csChFnd80/06171916332D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -0.6828   -0.2934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1690    0.3687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1414   -0.2934    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9414   -1.0796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9966    0.3825    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9069    1.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3966   -1.0796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2690   -1.5693    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2448    1.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5793    1.6445    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1207    1.4204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1793   -1.3382    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0310    1.4204    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7931   -0.7796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6448    0.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5724   -1.0382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6207    0.0204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4690    0.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4310    1.1204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1828   -0.4934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7483   -1.8417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2345    0.5825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0172    0.3204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5310   -2.1037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0690    1.3859    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  9 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  1  0  0  0  0
 15 19  2  0  0  0  0
 16 20  2  0  0  0  0
 16 21  1  0  0  0  0
 17 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  2  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (5,433)
5433

>  <Formula> (5,433)
C16H15ClN4O2S2

>  <MolWeight> (5,433)
394.8989

>  <COMPOUND_NAME> (5,433)
WAY-299185

>  <BAR_CODE_NO> (5,433)
3900908

$$$$
WAY-299209
csChFnd80/06171916332D

 17 18  0  0  0  0  0  0  0  0999 V2000
    2.7550   -0.9757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1860   -2.4757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3067   -0.5860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7860    0.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1067   -3.5550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6757   -2.8757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2170   -1.6757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6170   -3.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2657   -1.2757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6657    0.2140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5933    1.3036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1450    0.5933    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9933    2.7761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5554    2.0761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4726    3.1554    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0757    3.8347    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -5.0347    2.4761    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  5  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
  7  8  2  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (5,434)
5434

>  <Formula> (5,434)
C12H12ClN3O

>  <MolWeight> (5,434)
249.69618

>  <COMPOUND_NAME> (5,434)
WAY-299209

>  <BAR_CODE_NO> (5,434)
3900936

$$$$
WAY-299231
csChFnd80/06171916332D

 22 24  0  0  0  0  0  0  0  0999 V2000
    7.8599    8.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8688    7.4795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5704    8.7162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1494    8.7162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5794    7.0692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1583    7.0692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5616    9.5368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2810    8.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1494    9.5368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5794    6.2397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1673    6.2397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8511    9.9470    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2810    9.9648    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9929    7.8771    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4389    9.9470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8778    5.8295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4389   10.7853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7283    9.5278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8778    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7194   11.1956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0089    9.9470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   10.7764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  3  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  2  0  0  0  0
 20 22  2  0  0  0  0
  9 12  2  0  0  0  0
 11 16  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (5,435)
5435

>  <Formula> (5,435)
C19H15N3

>  <MolWeight> (5,435)
285.3425

>  <COMPOUND_NAME> (5,435)
WAY-299231

>  <BAR_CODE_NO> (5,435)
3900961

$$$$
WAY-299240
csChFnd80/06171916332D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -2.2586    0.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9103    0.7724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6103    0.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2586   -0.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5586    0.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9552    0.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6103   -0.7276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2862    0.5828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7552   -0.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9552   -0.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4793   -0.1414    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000   -0.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3552   -0.3586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0034   -0.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6552   -0.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000   -1.4931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3000   -0.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6552    0.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9483   -0.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3069    0.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9552    0.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6034    0.7483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2483    0.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9034    0.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (5,436)
5436

>  <Formula> (5,436)
C20H20O3S

>  <MolWeight> (5,436)
340.436

>  <COMPOUND_NAME> (5,436)
WAY-299240

>  <BAR_CODE_NO> (5,436)
3900973

$$$$
WAY-299301
csChFnd80/06171916332D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.7379   -1.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4241   -1.6690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7379    0.3310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7207   -1.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6621   -1.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1414   -2.9690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8966    1.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1586   -3.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7034   -1.9897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8621    0.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8966    2.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0379    0.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9241   -1.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1034    0.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0379    2.9931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7379    3.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1966    1.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1241   -0.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9793   -2.3069    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.1966    2.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4241    3.7103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  2  0  0  0  0
 11 15  1  0  0  0  0
 11 16  1  0  0  0  0
 12 17  2  0  0  0  0
 13 18  2  0  0  0  0
 13 19  1  0  0  0  0
 15 20  2  0  0  0  0
 16 21  3  0  0  0  0
  6  8  1  0  0  0  0
 14 18  1  0  0  0  0
 17 20  1  0  0  0  0
M  END
>  <Mol_ID> (5,437)
5437

>  <Formula> (5,437)
C17H14ClN3

>  <MolWeight> (5,437)
295.76616

>  <COMPOUND_NAME> (5,437)
WAY-299301

>  <BAR_CODE_NO> (5,437)
3901056

$$$$
WAY-299308
csChFnd80/06171916332D

 30 32  0  0  0  0  0  0  0  0999 V2000
   -2.1069    0.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7483    0.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1862    1.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3862    0.4552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3793    0.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -0.4448    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5586    2.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7379    0.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0207    0.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7862   -0.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8207    1.7138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6586    2.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5931    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8483    2.9345    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7379    3.6345    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4483    2.7552    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0793   -0.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8207   -0.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000   -1.2931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4414   -0.0448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6414   -1.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2793   -1.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7310   -2.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -1.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -2.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0793   -2.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6517   -0.9931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8207   -2.5862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9207   -3.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <Mol_ID> (5,438)
5438

>  <Formula> (5,438)
C19H16F3N3O3S2

>  <MolWeight> (5,438)
455.4738496

>  <COMPOUND_NAME> (5,438)
WAY-299308

>  <BAR_CODE_NO> (5,438)
3901067

$$$$
WAY-299313
csChFnd80/06171916332D

 27 30  0  0  0  0  0  0  0  0999 V2000
    0.1551    0.8832    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1551   -0.2410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8208    1.4383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1344    0.8832    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8208   -0.8065    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1482   -0.8065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8242    0.8832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8208    2.6487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1344   -0.2410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8242   -0.2410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792    2.6487    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0380    2.6487    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8208    3.8452    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.1930   -0.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8587   -0.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2792   -0.3651    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1723   -1.9030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8898   -0.2099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8587   -2.0548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3516   -0.9410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5137    0.8107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9691   -0.8065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9553   -2.6341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2206   -0.1203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7102    0.9521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9898   -2.0099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0553   -2.5858    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 16 21  1  0  0  0  0
 18 22  1  0  0  0  0
 19 23  2  0  0  0  0
 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
 22 26  2  0  0  0  0
 26 27  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
 23 26  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (5,439)
5439

>  <Formula> (5,439)
C18H14BrF3N4O

>  <MolWeight> (5,439)
439.2291696

>  <COMPOUND_NAME> (5,439)
WAY-299313

>  <BAR_CODE_NO> (5,439)
3901072

$$$$
WAY-299314
csChFnd80/06171916332D

 31 34  0  0  0  0  0  0  0  0999 V2000
   -0.1129    0.2507    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5261    0.6317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1129   -0.5143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8389    0.4937    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2619   -0.1093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8389   -0.7363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5261   -0.8773    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1711    0.2507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5261    1.3787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1711   -0.5143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7751   -2.0263    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -2.0119   -0.1093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1121   -1.6423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3959    0.5327    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8161   -0.8773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7751   -2.7943    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.5119    1.1807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4381   -1.6423    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2589    1.2377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3959   -0.7783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2209    1.8977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4179    2.0057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7819    2.3657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2971    1.3787    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2119    1.3787    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.5261    2.1467    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4611   -2.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1121   -0.8773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4611   -0.5143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8161   -1.6423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1369    0.5327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  4  5  2  0  0  0  0
  6  3  2  0  0  0  0
  7  3  1  0  0  0  0
  8  2  2  0  0  0  0
  9  2  1  0  0  0  0
  7 10  2  0  0  0  0
 11 13  1  0  0  0  0
 12  5  1  0  0  0  0
 13 27  1  0  0  0  0
 14 12  1  0  0  0  0
 15 10  1  0  0  0  0
 16 11  1  0  0  0  0
 17 31  1  0  0  0  0
 18 11  2  0  0  0  0
 19 17  1  0  0  0  0
 20 12  2  0  0  0  0
 17 21  2  0  0  0  0
 22 19  1  0  0  0  0
 23 21  1  0  0  0  0
 24  9  1  0  0  0  0
 25  9  1  0  0  0  0
 26  9  1  0  0  0  0
 30 27  2  0  0  0  0
 28 29  1  0  0  0  0
 29 15  2  0  0  0  0
 30 15  1  0  0  0  0
 31 14  1  0  0  0  0
  5  6  1  0  0  0  0
  8 10  1  0  0  0  0
 13 28  2  0  0  0  0
 23 22  2  0  0  0  0
M  END
>  <Mol_ID> (5,440)
5440

>  <Formula> (5,440)
C19H12F3N5O4

>  <MolWeight> (5,440)
431.3248896

>  <COMPOUND_NAME> (5,440)
WAY-299314

>  <BAR_CODE_NO> (5,440)
3901073

$$$$
WAY-299369
csChFnd80/06171916332D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -1.0795   -0.2034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5416    0.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1688    0.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5933   -1.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6726   -0.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8554    1.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4067   -0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1584    2.2310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9412   -1.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5105   -2.9069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1312   -0.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3416   -2.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3312    2.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8826    0.2586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8067   -2.9069    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -5.4795    1.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1929    1.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0205   -0.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6688    2.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4826   -0.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8067    1.1966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  9 15  1  0  0  0  0
 11 16  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
  7  9  2  0  0  0  0
 13 16  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (5,441)
5441

>  <Formula> (5,441)
C15H15ClN2O3

>  <MolWeight> (5,441)
306.7442

>  <COMPOUND_NAME> (5,441)
WAY-299369

>  <BAR_CODE_NO> (5,441)
3901136

$$$$
WAY-299375
csChFnd80/06171916332D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -0.7789   -0.4516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1789   -0.1171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3789   -0.0896    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7789   -1.1378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4211   -0.4516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9789    0.2622    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7168   -0.6896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0168    0.5104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1789   -1.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0211   -0.1171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4211   -1.1378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5513   -0.0896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9789    0.9484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6073   -0.4516    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0211    0.5829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1513    0.2622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5513    1.2829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2211   -0.1171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1513    0.9484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2211    0.5829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8073   -0.4516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8211    0.9277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4073   -0.1171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4211    0.5829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  2  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 16 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
  9 11  1  0  0  0  0
 17 19  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (5,442)
5442

>  <Formula> (5,442)
C18H26N2O3S

>  <MolWeight> (5,442)
350.47564

>  <COMPOUND_NAME> (5,442)
WAY-299375

>  <BAR_CODE_NO> (5,442)
3901144

$$$$
WAY-299404
csChFnd80/06171916332D

 23 24  0  0  0  0  0  0  0  0999 V2000
   -1.3861    0.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6689   -0.2966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0965   -0.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3792    0.9448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0449    0.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6689   -1.1207    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8171    0.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0930    1.3586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7553   -0.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3861   -1.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1553   -1.1207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0861   -1.7034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8171    0.9448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4691    0.1172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7553   -1.1207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5309    1.3586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1829   -0.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2482    0.9448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8932    0.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1449    0.9207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5691   -0.3552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9760    0.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2311    0.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  2  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
  8 13  2  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (5,443)
5443

>  <Formula> (5,443)
C15H18N2O5S

>  <MolWeight> (5,443)
338.37882

>  <COMPOUND_NAME> (5,443)
WAY-299404

>  <BAR_CODE_NO> (5,443)
3901188

$$$$
WAY-299412
csChFnd80/06171916332D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.2117    0.1530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5657   -0.3270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2117   -0.8310    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583   -0.0330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583   -0.6450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3977    0.7230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1597   -0.3270    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0107    1.1700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9767    0.8580    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8203    0.3390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8203   -1.0140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3637    0.4110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4113    0.2100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4113   -0.8850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9547    0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6723   -0.3270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  4  5  2  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  6  2  0  0  0  0
  9  6  1  0  0  0  0
 10  4  1  0  0  0  0
 11  5  1  0  0  0  0
 12  9  1  0  0  0  0
 13 10  1  0  0  0  0
 14 11  1  0  0  0  0
 15 12  1  0  0  0  0
 16 13  1  0  0  0  0
  5  3  1  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <Mol_ID> (5,444)
5444

>  <Formula> (5,444)
C12H18N2OS

>  <MolWeight> (5,444)
238.34912

>  <COMPOUND_NAME> (5,444)
WAY-299412

>  <BAR_CODE_NO> (5,444)
3901199

$$$$
WAY-299510
csChFnd80/06171916332D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.5862   -0.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5862    0.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1862   -0.5517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9862   -0.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9862    0.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1862    0.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2138   -0.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3862   -0.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3862    0.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2138    0.1483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1862    0.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6138   -0.5517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862    0.3897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0138   -0.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2586    0.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4138   -0.5724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0138    0.1276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6828    0.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8138   -0.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4310    0.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8310    0.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2138   -0.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4310    0.8276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  6 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  9 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
 20 23  2  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (5,445)
5445

>  <Formula> (5,445)
C16H17N5O2

>  <MolWeight> (5,445)
311.33848

>  <COMPOUND_NAME> (5,445)
WAY-299510

>  <BAR_CODE_NO> (5,445)
3901317

$$$$
WAY-299529
csChFnd80/06171916332D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -1.1557    0.8201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1453    0.2822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2936    0.1925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2695    1.4994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0695    1.4442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1453   -0.8385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0936    0.8201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6512    0.7063    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2936   -0.8799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6177    2.5201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7350    2.5201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1074   -1.3696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0936    0.2925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5823    0.1201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0936   -0.8075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5823   -1.0144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5823    0.6477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5443   -1.6178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5892    0.0546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5547   -1.0558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5133   -1.6178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5133   -2.7178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  2  0  0  0  0
  3  8  1  0  0  0  0
  3  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 10 11  1  0  0  0  0
 13 15  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (5,446)
5446

>  <Formula> (5,446)
C19H21NO2

>  <MolWeight> (5,446)
295.37554

>  <COMPOUND_NAME> (5,446)
WAY-299529

>  <BAR_CODE_NO> (5,446)
3901343

$$$$
WAY-299541
csChFnd80/06171916332D

 34 38  0  0  0  0  0  0  0  0999 V2000
    1.9777   -1.8069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4114   -0.4179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4638   -2.0110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8317   -2.7748    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3312    0.7670    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0846   -0.5273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3835   -0.8261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0301   -3.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4429   -1.9839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8172    0.5629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5183   -3.2125    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.5970   -3.8431    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.3466   -4.8662    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8319   -2.5502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7370    1.7479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0168   -1.6305    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0359   -4.0363    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1707    3.1369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2230    1.5438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4058   -2.1968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8127   -0.1444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0904    4.3218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1428    2.7287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5907   -1.2770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9977    0.7753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5765    4.1177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3867    0.2090    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4962    5.3027    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5716    1.1288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9606    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3676    2.6148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1455    1.4822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5525    3.5346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9415    2.9683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  1  0  0  0  0
 15 19  2  0  0  0  0
 16 20  1  0  0  0  0
 16 21  1  0  0  0  0
 18 22  2  0  0  0  0
 19 23  1  0  0  0  0
 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
 22 26  1  0  0  0  0
 24 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 30 32  1  0  0  0  0
 31 33  2  0  0  0  0
 32 34  2  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
 23 26  2  0  0  0  0
 25 27  1  0  0  0  0
 33 34  1  0  0  0  0
M  END
>  <Mol_ID> (5,447)
5447

>  <Formula> (5,447)
C24H19F4N5O

>  <MolWeight> (5,447)
469.4341728

>  <COMPOUND_NAME> (5,447)
WAY-299541

>  <BAR_CODE_NO> (5,447)
3901358

$$$$
WAY-382510
csChFnd80/06171916332D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -2.0500   -0.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6708    0.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0500    1.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7125    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7125    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8333   -0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1500   -0.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708    0.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9333   -1.4667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8333    1.7708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708   -0.3292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500   -1.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2958    1.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2958   -0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0500   -2.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8958    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8958    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8875   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292   -2.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  2  2  0  0  0  0
  9  7  1  0  0  0  0
 10  3  2  0  0  0  0
 11  7  2  0  0  0  0
 12  9  1  0  0  0  0
 13  4  1  0  0  0  0
 14  5  1  0  0  0  0
 15 12  1  0  0  0  0
 16 12  2  0  0  0  0
 17 18  1  0  0  0  0
 18 14  2  0  0  0  0
 19 15  2  0  0  0  0
 20 16  1  0  0  0  0
 21 20  2  0  0  0  0
  3  4  1  0  0  0  0
 13 17  2  0  0  0  0
 21 19  1  0  0  0  0
M  END
>  <Mol_ID> (5,448)
5448

>  <Formula> (5,448)
C16H12N2O3

>  <MolWeight> (5,448)
280.27808

>  <COMPOUND_NAME> (5,448)
WAY-382510

>  <BAR_CODE_NO> (5,448)
2540007

$$$$
WAY-382522
csChFnd80/06171916332D

 36 40  0  0  0  0  0  0  0  0999 V2000
   -0.7333   -0.8292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1708   -1.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1875    0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3500   -0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4875   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5500    0.9333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042    1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1667   -0.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958   -1.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042   -0.7875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292    1.5125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5667    2.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4667   -0.3292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4875    0.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4292   -0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1500    0.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1042   -0.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042   -2.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7708   -2.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333    0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5500    0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2292    2.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2292    2.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8958    0.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3875   -2.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7708   -2.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5667    2.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042    3.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708    1.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500    3.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5500    1.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  1  1  0  0  0  0
  4  7  2  0  0  0  0
  5  1  2  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8  4  1  0  0  0  0
  9  4  1  0  0  0  0
 10  9  1  0  0  0  0
 11  8  1  0  0  0  0
 12  3  1  0  0  0  0
 13  8  2  0  0  0  0
 14  5  1  0  0  0  0
 15 10  2  0  0  0  0
 16 10  1  0  0  0  0
 17 21  1  0  0  0  0
 18 11  1  0  0  0  0
 19 11  1  0  0  0  0
 20 18  1  0  0  0  0
 21 19  1  0  0  0  0
 22 12  1  0  0  0  0
 23 12  2  0  0  0  0
 24 14  2  0  0  0  0
 25 14  1  0  0  0  0
 26 16  2  0  0  0  0
 27 16  1  0  0  0  0
 28 25  2  0  0  0  0
 29 22  2  0  0  0  0
 30 23  1  0  0  0  0
 31 26  1  0  0  0  0
 32 27  2  0  0  0  0
 33 24  1  0  0  0  0
 34 32  1  0  0  0  0
 35 30  2  0  0  0  0
 36 28  1  0  0  0  0
  6  2  2  0  0  0  0
 33 36  2  0  0  0  0
 35 29  1  0  0  0  0
 17 20  1  0  0  0  0
 31 34  2  0  0  0  0
M  END
>  <Mol_ID> (5,449)
5449

>  <Formula> (5,449)
C29H26N4O3

>  <MolWeight> (5,449)
478.54174

>  <COMPOUND_NAME> (5,449)
WAY-382522

>  <BAR_CODE_NO> (5,449)
2540020

$$$$
WAY-382524
csChFnd80/06171916332D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -0.4208    0.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3000   -0.4000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.8208    0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0167    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8208    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1000   -1.1792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167    1.2833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7167   -0.4375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042   -1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0542    0.8208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5208    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5458   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0500   -1.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8208    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2458    0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4375   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7000   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5208    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2458    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667   -2.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8625   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792   -1.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1375   -0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4458   -2.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -3.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000   -2.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8  5  1  0  0  0  0
  9  3  2  0  0  0  0
 10  2  2  0  0  0  0
 11  7  1  0  0  0  0
 12  4  1  0  0  0  0
 13  7  2  0  0  0  0
 14  8  2  0  0  0  0
 15  6  2  0  0  0  0
 16  5  2  0  0  0  0
 17 12  1  0  0  0  0
 18 15  1  0  0  0  0
 19 16  1  0  0  0  0
 20 11  1  0  0  0  0
 21 11  1  0  0  0  0
 22 14  1  0  0  0  0
 23 19  2  0  0  0  0
 24 17  2  0  0  0  0
 25 17  1  0  0  0  0
 26 21  1  0  0  0  0
 27 20  1  0  0  0  0
 28 25  2  0  0  0  0
 29 24  1  0  0  0  0
 30 28  1  0  0  0  0
  6  8  1  0  0  0  0
 14 23  1  0  0  0  0
 18 22  2  0  0  0  0
 30 29  2  0  0  0  0
M  END
>  <Mol_ID> (5,450)
5450

>  <Formula> (5,450)
C25H24N2O3

>  <MolWeight> (5,450)
400.46966

>  <COMPOUND_NAME> (5,450)
WAY-382524

>  <BAR_CODE_NO> (5,450)
2540022

$$$$
WAY-382534
csChFnd80/06171916332D

 25 27  0  0  0  0  0  0  0  0999 V2000
    0.0542    1.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292    1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1500    1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500    1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042    1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958    2.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0500    0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458    1.8708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4000    1.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208    2.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4958    1.6958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2125    2.8500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6625    2.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292    0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3125    0.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6000    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3833    0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542    0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0958    0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8500    2.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3000    2.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5708    2.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0333    2.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  2  0  0  0  0
  4  1  1  0  0  0  0
  5  2  2  0  0  0  0
  6 10  1  0  0  0  0
  7  1  1  0  0  0  0
  8  9  2  0  0  0  0
  9  3  1  0  0  0  0
 10  8  1  0  0  0  0
 11  6  2  0  0  0  0
 12 22  2  0  0  0  0
 13  6  1  0  0  0  0
 14  7  1  0  0  0  0
 15  7  2  0  0  0  0
 16  2  1  0  0  0  0
 17  4  1  0  0  0  0
 18 15  1  0  0  0  0
 19 14  2  0  0  0  0
 20 18  2  0  0  0  0
 21 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 13  1  0  0  0  0
 24 13  2  0  0  0  0
 25 20  1  0  0  0  0
  5  3  1  0  0  0  0
 20 19  1  0  0  0  0
 12 21  1  0  0  0  0
M  END
>  <Mol_ID> (5,451)
5451

>  <Formula> (5,451)
C20H20N4O

>  <MolWeight> (5,451)
332.399

>  <COMPOUND_NAME> (5,451)
WAY-382534

>  <BAR_CODE_NO> (5,451)
2540031

$$$$
WAY-383843
csChFnd80/06171916332D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -0.7016    0.1932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4085   -0.2102    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0018   -0.2102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7016    1.0070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9844    0.3587    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0326   -0.7309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9395   -0.8758    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7018    0.1932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0018    1.4139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7706    0.1587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4053   -0.2102    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7018    1.0070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3464    0.7242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9809   -0.6309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9812    0.3587    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9398   -0.8758    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0294   -0.7309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1326    0.5104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7671   -0.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7708    0.1587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3395   -0.2654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9812   -0.6309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3467    0.7242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7639   -0.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1329    0.5104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3467   -0.2654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  2  0  0  0  0
 11 15  1  0  0  0  0
 11 16  2  0  0  0  0
 11 17  2  0  0  0  0
 13 18  2  0  0  0  0
 14 19  1  0  0  0  0
 15 20  1  0  0  0  0
 18 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  2  0  0  0  0
 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
  9 12  2  0  0  0  0
 19 21  2  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <Mol_ID> (5,452)
5452

>  <Formula> (5,452)
C18H16N2O4S2

>  <MolWeight> (5,452)
388.46064

>  <COMPOUND_NAME> (5,452)
WAY-383843

>  <BAR_CODE_NO> (5,452)
2540370

$$$$
WAY-383995
csChFnd80/06171916332D

 28 31  0  0  0  0  0  0  0  0999 V2000
    0.4583    1.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2583    0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4583    0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2583    1.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708    0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708    1.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2583   -0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1708    1.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1708    0.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2583    2.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708   -1.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708   -3.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8875    1.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6875    0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6875    1.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2583   -2.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6875   -2.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2583   -3.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6875   -3.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708   -4.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8875    0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6000    1.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000    1.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000    0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3167    1.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6000    0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3167    0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  6  2  0  0  0  0
  6  4  1  0  0  0  0
  7  2  2  0  0  0  0
  8  1  1  0  0  0  0
  9  3  2  0  0  0  0
 10  4  2  0  0  0  0
 11  7  1  0  0  0  0
 12 11  1  0  0  0  0
 13 20  2  0  0  0  0
 14  8  1  0  0  0  0
 15  5  1  0  0  0  0
 16  6  1  0  0  0  0
 17 12  1  0  0  0  0
 18 12  2  0  0  0  0
 19 17  2  0  0  0  0
 20 18  1  0  0  0  0
 21 13  1  0  0  0  0
 22 14  1  0  0  0  0
 23 14  2  0  0  0  0
 24 16  2  0  0  0  0
 25 15  2  0  0  0  0
 26 23  1  0  0  0  0
 27 22  2  0  0  0  0
 28 26  2  0  0  0  0
  5  2  1  0  0  0  0
 25 24  1  0  0  0  0
 28 27  1  0  0  0  0
 19 13  1  0  0  0  0
M  END
>  <Mol_ID> (5,453)
5453

>  <Formula> (5,453)
C23H18N2O3

>  <MolWeight> (5,453)
370.40062

>  <COMPOUND_NAME> (5,453)
WAY-383995

>  <BAR_CODE_NO> (5,453)
2540401

$$$$
WAY-391237
csChFnd80/06171916332D

 28 31  0  0  0  0  0  0  0  0999 V2000
   12.0792  -12.0167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.0792  -12.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5750  -11.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0792  -10.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5542   -7.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5792  -11.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0375  -12.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3542  -12.9792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0750  -10.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5792   -9.4667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0542   -6.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5750   -7.5167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3792   -6.1167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4750   -6.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0542   -8.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5917  -11.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0625   -6.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0667   -8.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5750   -9.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5625   -7.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5917  -12.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5417  -11.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0625  -10.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5667   -9.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5542   -9.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5375  -11.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5792  -12.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0542  -11.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  9  1  0  0  0  0
  5 15  2  0  0  0  0
  6  3  2  0  0  0  0
  7  1  2  0  0  0  0
  8  1  2  0  0  0  0
  9  6  1  0  0  0  0
 10  4  1  0  0  0  0
 11 17  2  0  0  0  0
 12  5  1  0  0  0  0
 13 11  1  0  0  0  0
 14 12  1  0  0  0  0
 15 18  1  0  0  0  0
 16  4  2  0  0  0  0
 17 20  1  0  0  0  0
 18 19  1  0  0  0  0
 19 10  1  0  0  0  0
 20 18  2  0  0  0  0
 21  2  1  0  0  0  0
 22  2  1  0  0  0  0
 23  3  1  0  0  0  0
 24 25  1  0  0  0  0
 25 23  2  0  0  0  0
 26 22  1  0  0  0  0
 27 21  1  0  0  0  0
 28 26  1  0  0  0  0
 24  9  2  0  0  0  0
 28 27  1  0  0  0  0
 11  5  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (5,454)
5454

>  <Formula> (5,454)
C20H22N2O5S

>  <MolWeight> (5,454)
402.46408

>  <COMPOUND_NAME> (5,454)
WAY-391237

>  <BAR_CODE_NO> (5,454)
2540116

$$$$
WL-147424
csChFnd80/06171916332D

 28 31  0  0  0  0  0  0  0  0999 V2000
    1.5736    0.3835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736   -0.5303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3736    0.8180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7874    0.8180    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3736   -0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7874   -0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1494    0.3973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3736    1.7318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0023    0.3663    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1632   -0.5303    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3736   -1.9096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8011   -1.9234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9356    0.8456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1632    2.1973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8023    0.8180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736   -2.3613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9356    1.7594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5920    0.3663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8023    1.7318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3782    0.8042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1506    0.3387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1368   -0.5889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9540    0.7904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9230   -1.0510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3506   -1.0372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7540    0.3249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7402   -0.6165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3506   -1.9510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 14  2  0  0  0  0
  9 15  1  0  0  0  0
 11 16  2  0  0  0  0
 13 17  2  0  0  0  0
 15 18  1  0  0  0  0
 15 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 23 26  2  0  0  0  0
 24 27  2  0  0  0  0
 25 28  1  0  0  0  0
  7 10  2  0  0  0  0
 12 16  1  0  0  0  0
 14 17  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (5,455)
5455

>  <Formula> (5,455)
C22H19N3O3

>  <MolWeight> (5,455)
373.40456

>  <COMPOUND_NAME> (5,455)
WL-147424

>  <BAR_CODE_NO> (5,455)
3899661

$$$$
CL-418030
csChFnd80/06171916332D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -0.0426   -1.6829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0426   -2.5121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7460   -2.7684    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2335   -2.0975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7460   -1.4268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4690   -1.6825    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4701   -2.5099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7553   -2.9227    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7571   -1.2697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0585   -2.0975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4710   -2.8119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7576   -0.4447    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0443   -0.0367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0429    0.7847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7557    1.2007    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4718    0.7890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4750   -0.0386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7531    2.0257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0373    2.4359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4663    2.4404    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6728    2.0185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3880    2.4280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3911    3.2539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6730    3.6685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0394    3.2566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
  6  7  2  0  0  0  0
  2  3  1  0  0  0  0
  7  8  1  0  0  0  0
  8  2  2  0  0  0  0
 12 17  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
  3  4  1  0  0  0  0
 15 18  1  0  0  0  0
  1  9  2  0  0  0  0
 18 19  1  0  0  0  0
  9  6  1  0  0  0  0
 18 20  2  0  0  0  0
  4  5  2  0  0  0  0
 19 21  2  0  0  0  0
  4 10  1  0  0  0  0
 21 22  1  0  0  0  0
  5  1  1  0  0  0  0
 22 23  2  0  0  0  0
 10 11  1  0  0  0  0
 23 24  1  0  0  0  0
  1  2  1  0  0  0  0
 24 25  2  0  0  0  0
 25 19  1  0  0  0  0
M  END
>  <Mol_ID> (5,456)
5456

>  <Formula> (5,456)
C19H20N4OS

>  <MolWeight> (5,456)
352.4533

>  <COMPOUND_NAME> (5,456)
CL-418030

>  <BAR_CODE_NO> (5,456)
3902571

$$$$
CL-423530
csChFnd80/06171916332D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -1.3084   -0.1843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3084    1.3591    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6444   -0.9537    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.0092   -0.9537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1290    2.6629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9759    1.3591    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6444   -2.4832    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9759   -0.1843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0092   -2.4832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3499   -0.1843    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.3130    2.1238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3084   -3.2572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3499   -3.2572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4878    3.0821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5480    0.5943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3084   -4.8005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3499   -4.8005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9298    2.5385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2575    4.6116    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.9761    0.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1786    1.0228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  7 12  2  0  0  0  0
  9 13  1  0  0  0  0
 11 14  2  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 14 19  1  0  0  0  0
 15 20  2  0  0  0  0
 18 21  2  0  0  0  0
  6  8  2  0  0  0  0
  9 12  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (5,457)
5457

>  <Formula> (5,457)
C15H15ClN4O

>  <MolWeight> (5,457)
302.7588

>  <COMPOUND_NAME> (5,457)
CL-423530

>  <BAR_CODE_NO> (5,457)
3902208

$$$$
CL-425659
csChFnd80/06171916332D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.7209    1.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9622    1.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3347   -0.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0171    2.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3347   -0.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7898    2.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3347   -0.7586    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8516   -0.4207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2584    2.0138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4795    3.2966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5416   -0.2827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9898    1.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0998   -1.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9826    3.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3898    0.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2998   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1895   -2.4552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6722   -3.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2929   -1.2759    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9136   -3.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2998   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  2  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
  5  7  1  0  0  0  0
 12 15  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (5,458)
5458

>  <Formula> (5,458)
C15H15NO3S2

>  <MolWeight> (5,458)
321.4145

>  <COMPOUND_NAME> (5,458)
CL-425659

>  <BAR_CODE_NO> (5,458)
3902825

$$$$
CL-47345
csChFnd80/06171916332D

 21 22  0  0  0  0  0  0  0  0999 V2000
    2.1693   -0.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4451   -0.7931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8934   -0.7931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1693    0.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7244   -0.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6210   -0.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8934    0.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0003   -0.7931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7244    0.4517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6210    0.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7238   -0.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3451    0.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4445   -0.7931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7238    0.4517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1687   -0.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1687    0.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8963   -0.7931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8963    0.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6204   -0.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6204    0.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3445    0.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
  7 10  2  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (5,459)
5459

>  <Formula> (5,459)
C17H18N2O2

>  <MolWeight> (5,459)
282.33702

>  <COMPOUND_NAME> (5,459)
CL-47345

>  <BAR_CODE_NO> (5,459)
3902724

$$$$
WAY-112639
csChFnd80/06171916332D

 25 27  0  0  0  0  0  0  0  0999 V2000
    1.1863   -0.1277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9070   -0.5415    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4725   -0.5380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1863    0.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6242   -0.9553    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3242    0.1827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4863   -1.2622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2447   -0.1277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4725    1.1102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6242   -1.7898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2447    0.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0104   -2.3415    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3346   -2.2001    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9654    1.1206    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3449   -3.0898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1622   -3.0070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6758    0.7068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3930    1.1206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6758   -0.1173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3930    1.9482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1068    0.7068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1068    2.3620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6758    2.3723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8275    1.1206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8275    1.9482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  8 11  2  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 18 21  2  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
  9 11  1  0  0  0  0
 15 16  2  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (5,460)
5460

>  <Formula> (5,460)
C17H15N3O3S2

>  <MolWeight> (5,460)
373.4493

>  <COMPOUND_NAME> (5,460)
WAY-112639

>  <BAR_CODE_NO> (5,460)
3902592

$$$$
WAY-115291
csChFnd80/06171916332D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.5485    1.1053    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5485    2.1053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3205    0.6053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4140    0.6053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4140    2.6053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3205    2.6053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3205   -0.3947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4140   -0.3947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4140    3.6053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3205    3.6053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5485   -0.8947    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5485    4.1053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5485   -1.8947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3205   -2.3947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1860   -1.8947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3205   -3.3947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0515   -2.3947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1860   -3.8947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0515   -3.3947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (5,461)
5461

>  <Formula> (5,461)
C17H26N2

>  <MolWeight> (5,461)
258.40174

>  <COMPOUND_NAME> (5,461)
WAY-115291

>  <BAR_CODE_NO> (5,461)
3902640

$$$$
WAY-117345
csChFnd80/06171916332D

 22 24  0  0  0  0  0  0  0  0999 V2000
    8.5914    4.8866    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3437    4.2051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3213    5.1449    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.3330    6.2663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9258    6.4037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1402    2.8198    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2223    7.6350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3005    7.2558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1107    7.6350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    7.6350    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8701    7.6350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7280    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8254    6.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8088    8.8223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1556    6.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1556    8.8223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8266    2.2647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2176    1.9184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0362    0.5112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6232    0.8795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.8608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0824    6.4203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  2  1  0  0  0  0
  7  5  2  0  0  0  0
  8  4  2  0  0  0  0
  9 14  2  0  0  0  0
 10  9  1  0  0  0  0
 11  7  1  0  0  0  0
 12 19  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 11  1  0  0  0  0
 16 11  2  0  0  0  0
 17  6  1  0  0  0  0
 18  6  1  0  0  0  0
 19 18  1  0  0  0  0
 20 17  1  0  0  0  0
 21 10  1  0  0  0  0
 22 10  1  0  0  0  0
  3  5  1  0  0  0  0
 12 20  1  0  0  0  0
 13  9  1  0  0  0  0
M  END
>  <Mol_ID> (5,462)
5462

>  <Formula> (5,462)
C16H19N3O2S

>  <MolWeight> (5,462)
317.40596

>  <COMPOUND_NAME> (5,462)
WAY-117345

>  <BAR_CODE_NO> (5,462)
3902601

$$$$
WAY-118447
csChFnd80/06171916332D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -1.0211   -0.9137    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7038   -1.3309    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0556   -0.1240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2866   -1.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6314   -2.0861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2659   -1.8447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1970   -1.1033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3556    0.3139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3996   -0.8758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8280   -2.5309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4280   -2.5240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3548   -0.0758    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8280   -3.4551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4142   -3.4551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0651    0.3139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6107   -3.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0272    1.2449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8686   -0.1240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6314   -4.7344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7858    1.7346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8686    2.6380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0893    3.1518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6996    3.0415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1824    4.0829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7789    3.9725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0203    4.4898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1168    5.3932    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
  9 12  1  0  0  0  0
 14 16  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <Mol_ID> (5,463)
5463

>  <Formula> (5,463)
C19H21ClN2O4S

>  <MolWeight> (5,463)
408.89904

>  <COMPOUND_NAME> (5,463)
WAY-118447

>  <BAR_CODE_NO> (5,463)
3904114

$$$$
WAY-221060-A
csChFnd80/06171916332D

 19 21  0  0  0  0  0  0  0  0999 V2000
   10.3305   -6.3810    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2415   -6.3810    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.3750   -4.7245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3960   -8.0370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5085   -6.3810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1225   -4.7565    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.4320   -4.7245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4640   -8.0370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5975   -6.3810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460   -3.1005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1225   -8.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6630   -8.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415   -4.7245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0340   -4.7565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0445   -8.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6990   -4.7245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7305   -8.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.4130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7645   -6.4130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  8  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  1  0  0  0  0
  9  5  1  0  0  0  0
 10  6  1  0  0  0  0
 11  2  1  0  0  0  0
 12  9  1  0  0  0  0
 13  9  2  0  0  0  0
 14  6  1  0  0  0  0
 15 11  1  0  0  0  0
 16 13  1  0  0  0  0
 17 12  2  0  0  0  0
 18 15  1  0  0  0  0
 19 16  2  0  0  0  0
  5  7  1  0  0  0  0
 18 14  1  0  0  0  0
 19 17  1  0  0  0  0
M  END
>  <Mol_ID> (5,464)
5464

>  <Formula> (5,464)
C17H25NO

>  <MolWeight> (5,464)
259.3865

>  <COMPOUND_NAME> (5,464)
WAY-221060-A

>  <BAR_CODE_NO> (5,464)
3901967

$$$$
WAY-223535
csChFnd80/06171916332D

 21 23  0  0  0  0  0  0  0  0999 V2000
    4.0016    2.4686    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4412    1.1329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2617    2.4686    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.5749    2.8857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1419    3.2858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8052    1.1329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6739    1.9726    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6578    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6922    2.8857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8342    4.2422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9872    2.4461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6457    1.9557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3953    4.2553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0637    1.5725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1901    3.8889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0596    4.6685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3156    2.3953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5202    4.3680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3825    2.0459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.7424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6361    3.4155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  5  1  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8  2  2  0  0  0  0
  9  1  1  0  0  0  0
 10  4  2  0  0  0  0
 11  7  1  0  0  0  0
 12  9  1  0  0  0  0
 13  9  1  0  0  0  0
 14 11  2  0  0  0  0
 15 11  1  0  0  0  0
 16 13  1  0  0  0  0
 17 12  1  0  0  0  0
 18 15  2  0  0  0  0
 19 14  1  0  0  0  0
 20 16  1  0  0  0  0
 21 18  1  0  0  0  0
  3  6  1  0  0  0  0
 20 17  1  0  0  0  0
 19 21  2  0  0  0  0
M  END
>  <Mol_ID> (5,465)
5465

>  <Formula> (5,465)
C17H22N2O2

>  <MolWeight> (5,465)
286.36878

>  <COMPOUND_NAME> (5,465)
WAY-223535

>  <BAR_CODE_NO> (5,465)
3902417

$$$$
WAY-227676
csChFnd80/06171916332D

 28 30  0  0  0  0  0  0  0  0999 V2000
    2.4626    6.7296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8460    6.7296    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4626    8.1176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8460    8.1176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6520    6.0610    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6520    4.7267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0639    6.0297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2327    6.0297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8818    4.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8818    2.6865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5279    5.9983    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0429    8.8130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4850    4.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6520    2.0447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2730    8.8130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2327    4.6297    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2429    6.6683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4850    2.7119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0025    4.5745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1011    1.9432    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6520    0.6970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7547    6.7086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5279    4.5745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.7296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7547    3.8491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0025    5.9983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3503    2.6268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8922    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7  2  1  0  0  0  0
  8  1  1  0  0  0  0
  9  6  1  0  0  0  0
 10  9  2  0  0  0  0
 11 17  1  0  0  0  0
 12  4  2  0  0  0  0
 13  6  2  0  0  0  0
 14 18  2  0  0  0  0
 15  3  1  0  0  0  0
 16  8  2  0  0  0  0
 17  7  1  0  0  0  0
 18 13  1  0  0  0  0
 19 25  1  0  0  0  0
 20 10  1  0  0  0  0
 21 14  1  0  0  0  0
 22 11  1  0  0  0  0
 23 11  1  0  0  0  0
 24  8  1  0  0  0  0
 25 23  1  0  0  0  0
 26 22  1  0  0  0  0
 27 20  1  0  0  0  0
 28 21  1  0  0  0  0
  2  4  1  0  0  0  0
 10 14  1  0  0  0  0
 26 19  1  0  0  0  0
M  END
>  <Mol_ID> (5,466)
5466

>  <Formula> (5,466)
C20H26N2O6

>  <MolWeight> (5,466)
390.43024

>  <COMPOUND_NAME> (5,466)
WAY-227676

>  <BAR_CODE_NO> (5,466)
3904085

$$$$
WAY-230952
csChFnd80/06171916332D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -1.1582    0.5143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2789    0.1419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4651   -0.4477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7823    1.6419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2789   -1.0408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2892    0.7523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1582   -1.3995    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7349   -0.4477    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3866    1.8971    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5720    2.5316    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2892   -1.6339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3168    0.1419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3280   -1.4615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1763    1.0074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7349    3.0074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3168   -1.0408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5142   -1.4615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7349   -2.4857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3142    1.2661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0548    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1073   -0.4477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3039   -2.3512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2521   -0.7063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3728   -1.8753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  0  0  0  0
 11 16  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  2  0  0  0  0
 14 19  1  0  0  0  0
 15 20  1  0  0  0  0
 17 21  2  0  0  0  0
 17 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
  5  7  1  0  0  0  0
 12 16  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (5,467)
5467

>  <Formula> (5,467)
C18H22N2O3S

>  <MolWeight> (5,467)
346.44388

>  <COMPOUND_NAME> (5,467)
WAY-230952

>  <BAR_CODE_NO> (5,467)
3902612

$$$$
WAY-231484
csChFnd80/06171916332D

 17 18  0  0  0  0  0  0  0  0999 V2000
    1.6000    0.1554    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8793    0.5623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000   -0.6757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3138    0.5692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1655    0.1485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8793    1.3864    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3138   -1.0826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0172    0.1554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5448    0.5554    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0172   -0.6757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2586    0.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9759    0.5554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2586   -0.6895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6862    0.1347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9759   -1.1032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6862   -0.6895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4000    0.5485    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
  8 10  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (5,468)
5468

>  <Formula> (5,468)
C12H14ClNO3

>  <MolWeight> (5,468)
255.69746

>  <COMPOUND_NAME> (5,468)
WAY-231484

>  <BAR_CODE_NO> (5,468)
3902570

$$$$
WAY-232897
csChFnd80/06171916332D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -1.5315   -0.6493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9695   -1.3493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3522   -0.9665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2143    0.1714    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4695   -2.0907    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0902   -1.2113    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3315   -1.8493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1315   -0.5493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3315    0.3093    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2478   -0.3907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0902   -2.3113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8902   -1.0286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1305   -0.2493    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8764   -1.8665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6857   -0.9665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5685   -0.8493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9098   -0.0113    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1098   -1.5493    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3685    0.6887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7098    1.5335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4857    0.5714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1685    2.2335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9478    1.2714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2857    2.0887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7340    2.7818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1315    2.6507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0581    3.5887    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
  5  7  1  0  0  0  0
  9 10  2  0  0  0  0
 12 14  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (5,469)
5469

>  <Formula> (5,469)
C19H15N5O2S

>  <MolWeight> (5,469)
377.4197

>  <COMPOUND_NAME> (5,469)
WAY-232897

>  <BAR_CODE_NO> (5,469)
3902891

$$$$
WAY-234115
csChFnd80/06171916332D

 25 27  0  0  0  0  0  0  0  0999 V2000
    3.2270   -6.5160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2270   -8.9545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1210   -5.2470    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.1210  -10.1245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3580   -5.2595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9855   -8.9545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1210   -2.8085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9855   -6.5160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4395   -6.5160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9855   -1.6260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0670  -10.1370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3705   -2.8205    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5830   -5.2595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3580  -10.1370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0915   -2.8575    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.7260   -6.5160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2515   -1.6015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9855    0.8005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8690   -5.2840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7135   -8.9915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2515    0.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1455    2.0695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8325  -10.2355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.5160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.9915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  8  1  0  0  0  0
  7  3  1  0  0  0  0
  8  3  1  0  0  0  0
  9  5  1  0  0  0  0
 10  7  1  0  0  0  0
 11  6  2  0  0  0  0
 12  5  2  0  0  0  0
 13  9  1  0  0  0  0
 14  2  1  0  0  0  0
 15 10  1  0  0  0  0
 16 13  1  0  0  0  0
 17  7  2  0  0  0  0
 18 10  2  0  0  0  0
 19 16  1  0  0  0  0
 20 16  2  0  0  0  0
 21 17  1  0  0  0  0
 22 21  2  0  0  0  0
 23 20  1  0  0  0  0
 24 19  2  0  0  0  0
 25 23  2  0  0  0  0
  6  4  1  0  0  0  0
 18 22  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (5,470)
5470

>  <Formula> (5,470)
C20H18ClNO3

>  <MolWeight> (5,470)
355.81482

>  <COMPOUND_NAME> (5,470)
WAY-234115

>  <BAR_CODE_NO> (5,470)
3902264

$$$$
WAY-234759
csChFnd80/06171916332D

 27 29  0  0  0  0  0  0  0  0999 V2000
   13.4280    4.6140    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.8565    4.2057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8565    2.7921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4769    2.0821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3116    2.7921    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0692    2.0821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6498    4.8684    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1917    3.9987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5638    3.8332    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.7368    2.7210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4991    5.9864    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0692    4.8684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4769    0.9464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1681    2.6502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0145    4.7737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9437    1.9697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7604    4.1171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4430    4.2057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6498    2.0821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0692    0.6803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2186    4.8684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4430    2.7921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6498    0.6803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8565    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2186    2.0821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  6  1  0  0  0  0
  4 10  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  2  1  0  0  0  0
  8  1  1  0  0  0  0
  9  1  1  0  0  0  0
 10 17  2  0  0  0  0
 11  1  2  0  0  0  0
 12  2  2  0  0  0  0
 13  4  2  0  0  0  0
 14  8  1  0  0  0  0
 15  8  2  0  0  0  0
 16 14  2  0  0  0  0
 17 15  1  0  0  0  0
 18  7  1  0  0  0  0
 19  3  2  0  0  0  0
 20  6  2  0  0  0  0
 21 18  2  0  0  0  0
 22 18  1  0  0  0  0
 23 24  2  0  0  0  0
 24 20  1  0  0  0  0
 25 22  2  0  0  0  0
 26 21  1  0  0  0  0
 27 25  1  0  0  0  0
 10 16  1  0  0  0  0
 23 19  1  0  0  0  0
 27 26  2  0  0  0  0
M  END
>  <Mol_ID> (5,471)
5471

>  <Formula> (5,471)
C20H15N3O4

>  <MolWeight> (5,471)
361.3508

>  <COMPOUND_NAME> (5,471)
WAY-234759

>  <BAR_CODE_NO> (5,471)
3902060

$$$$
WAY-237479
csChFnd80/06171916332D

 26 28  0  0  0  0  0  0  0  0999 V2000
    5.8006    3.6212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0056    4.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6841    4.3306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6841    2.9347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0056    2.5227    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2250    3.6212    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4689    6.0923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9116    2.4085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4714    5.0456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4714    2.2482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0225    1.2014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5651    7.1622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4581    1.2356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2250    1.2014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1447    2.4370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8417    6.3669    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3359    2.4085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2358    4.3306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2358    2.9347    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.4297    3.6441    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1447    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5691    2.4085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1162    4.8796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.2197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5406    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2556    1.2014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9  3  1  0  0  0  0
 10  4  1  0  0  0  0
 11 17  1  0  0  0  0
 12  7  2  0  0  0  0
 13 11  1  0  0  0  0
 14  8  2  0  0  0  0
 15 13  2  0  0  0  0
 16  7  1  0  0  0  0
 17  8  1  0  0  0  0
 18  9  1  0  0  0  0
 19 10  1  0  0  0  0
 20 15  1  0  0  0  0
 21 13  1  0  0  0  0
 22 15  1  0  0  0  0
 23 20  1  0  0  0  0
 24 19  1  0  0  0  0
 25 21  2  0  0  0  0
 26 25  1  0  0  0  0
  4  3  2  0  0  0  0
 18 19  1  0  0  0  0
 22 26  2  0  0  0  0
M  END
>  <Mol_ID> (5,472)
5472

>  <Formula> (5,472)
C19H22N2O4S

>  <MolWeight> (5,472)
374.45398

>  <COMPOUND_NAME> (5,472)
WAY-237479

>  <BAR_CODE_NO> (5,472)
3903510

$$$$
WAY-239196
csChFnd80/06171916332D

 18 19  0  0  0  0  0  0  0  0999 V2000
    4.9072    1.2360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3652    1.2360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2410    2.4869    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0166    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1185    1.1769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5694    1.3546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1744    0.0370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0757    2.4352    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4969    2.4573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7471    2.7460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4369    3.4342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4080    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8423    2.5462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1095    1.3693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1315    3.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7105    1.3914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7475    3.7896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.5758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5 12  1  0  0  0  0
  6  5  1  0  0  0  0
  7  1  2  0  0  0  0
  8  2  2  0  0  0  0
  9  5  2  0  0  0  0
 10  6  1  0  0  0  0
 11  9  1  0  0  0  0
 12  4  1  0  0  0  0
 13  3  1  0  0  0  0
 14 13  1  0  0  0  0
 15 13  2  0  0  0  0
 16 14  2  0  0  0  0
 17 15  1  0  0  0  0
 18 17  2  0  0  0  0
 18 16  1  0  0  0  0
 10 11  2  0  0  0  0
M  END
>  <Mol_ID> (5,473)
5473

>  <Formula> (5,473)
C13H12N2O3

>  <MolWeight> (5,473)
244.24598

>  <COMPOUND_NAME> (5,473)
WAY-239196

>  <BAR_CODE_NO> (5,473)
3901469

$$$$
WAY-243197-A
csChFnd80/06171916332D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -2.7967   -1.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7967   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0967   -1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4484   -1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0967   -2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4484   -2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3967   -1.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1277   -1.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3967   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1277   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7242   -1.2000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0104   -0.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3242   -0.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2380   -2.0862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0484    0.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7240   -1.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6723    0.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4240   -0.7483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3896    0.0621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1102    0.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1102    1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7723    1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4413    1.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7758    2.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4275    2.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1102    2.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4620    2.8517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1033    3.6172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1275    2.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4275    4.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  2  0  0  0  0
 12 15  1  0  0  0  0
 12 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
 18 19  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <Mol_ID> (5,474)
5474

>  <Formula> (5,474)
C23H26N2O4S

>  <MolWeight> (5,474)
426.52854

>  <COMPOUND_NAME> (5,474)
WAY-243197-A

>  <BAR_CODE_NO> (5,474)
3902361

$$$$
WAY-243251
csChFnd80/06171916332D

 22 23  0  0  0  0  0  0  0  0999 V2000
    0.0105   -0.9377    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0485   -1.7619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7067   -0.5515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7312   -0.5343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6550   -2.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4205   -0.9826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6968    0.4174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5450   -0.9860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3895   -1.8136    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4726    0.9002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0895   -2.2136    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5485    1.8278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7791   -2.0722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3412   -3.1515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4412   -2.9205    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3968    2.2485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7588    2.3623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2550   -2.5205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4795    3.2002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8485    3.3140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7209    3.7278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8209    4.6485    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
 11 15  2  0  0  0  0
 12 16  2  0  0  0  0
 12 17  1  0  0  0  0
 13 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  2  0  0  0  0
 19 21  2  0  0  0  0
 21 22  1  0  0  0  0
  6  9  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (5,475)
5475

>  <Formula> (5,475)
C14H19BrN2O4S

>  <MolWeight> (5,475)
391.28066

>  <COMPOUND_NAME> (5,475)
WAY-243251

>  <BAR_CODE_NO> (5,475)
3902753

$$$$
WAY-247443
csChFnd80/06171916332D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.9333   -0.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9375    0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167    0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5125   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2250   -0.8875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.6500   -0.8833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6500    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3625   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3583    1.1917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1917    0.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7875   -0.4542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2042   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0792   -0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3542    0.3583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9125    0.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208   -0.4583    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.5083   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7833    0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6375   -0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4958    0.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2167   -0.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2125    0.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9  7  3  0  0  0  0
 10  3  1  0  0  0  0
 11 13  1  0  0  0  0
 12  4  1  0  0  0  0
 13  8  1  0  0  0  0
 14  8  2  0  0  0  0
 15 10  1  0  0  0  0
 16 12  1  0  0  0  0
 17 11  1  0  0  0  0
 18 11  1  0  0  0  0
 19 16  1  0  0  0  0
 20 18  1  0  0  0  0
 21 17  1  0  0  0  0
 22 20  1  0  0  0  0
  3  4  2  0  0  0  0
 16 15  1  0  0  0  0
 22 21  1  0  0  0  0
M  END
>  <Mol_ID> (5,476)
5476

>  <Formula> (5,476)
C17H23N3OS

>  <MolWeight> (5,476)
317.44902

>  <COMPOUND_NAME> (5,476)
WAY-247443

>  <BAR_CODE_NO> (5,476)
3901912

$$$$
WAY-300009-A
csChFnd80/06171916332D

 33 38  0  0  0  0  0  0  0  0999 V2000
    1.9000    1.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5103    0.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1483    1.0379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9207    2.5483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4828    2.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1483    0.0862    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.3310    1.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3000    0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3483    1.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5207    1.9690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1000    3.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6621    3.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6483   -0.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4828    3.9586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8310   -1.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1621   -1.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6310   -1.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6517   -1.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690   -0.9138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000   -1.9621    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.9379   -0.6621    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0138   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2172   -2.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8000   -0.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8379   -1.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3793   -0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4379   -1.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0655   -2.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2172   -0.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2517   -1.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8793   -2.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4897   -2.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  2  0  0  0  0
  9 14  2  0  0  0  0
 12 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
 23 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  2  0  0  0  0
 26 29  1  0  0  0  0
 27 30  2  0  0  0  0
 28 31  1  0  0  0  0
 29 32  2  0  0  0  0
 31 33  2  0  0  0  0
  7  9  1  0  0  0  0
  8 11  2  0  0  0  0
 13 15  1  0  0  0  0
 23 25  2  0  0  0  0
 28 30  1  0  0  0  0
 32 33  1  0  0  0  0
M  END
>  <Mol_ID> (5,477)
5477

>  <Formula> (5,477)
C29H25N2S2+

>  <MolWeight> (5,477)
465.6522

>  <COMPOUND_NAME> (5,477)
WAY-300009-A

>  <BAR_CODE_NO> (5,477)
3901951

$$$$
WAY-300018
csChFnd80/06171916332D

 25 27  0  0  0  0  0  0  0  0999 V2000
    1.5062   -0.4303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3062   -0.6062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4200    0.3800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8993   -0.9890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7200    0.1110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7200   -1.3200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1683    0.7179    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6993    0.7938    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1062   -0.7303    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0648   -1.7993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5441    0.1110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5441   -1.3200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0179    1.2007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9614   -0.6027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7317    0.7938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0179    2.0317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4455    1.1973    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1593    0.7800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1593   -0.0441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8800    1.1938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8800   -0.4614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5938    0.7800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5938   -0.0441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8800   -1.2821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3007   -0.4614    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  8 13  1  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 23 25  1  0  0  0  0
  5  7  1  0  0  0  0
 12 14  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (5,478)
5478

>  <Formula> (5,478)
C18H19BrN2O3S

>  <MolWeight> (5,478)
423.32406

>  <COMPOUND_NAME> (5,478)
WAY-300018

>  <BAR_CODE_NO> (5,478)
3901961

$$$$
WAY-300033
csChFnd80/06171916332D

 21 24  0  0  0  0  0  0  0  0999 V2000
   -0.8586   -0.5069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5621   -1.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8103   -0.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0621    0.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3103   -1.9759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3862   -1.4172    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0966   -1.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4586    0.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6897   -0.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0345    1.0069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0276   -1.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3828   -0.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6276   -0.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6621   -0.9310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9034    0.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8379    0.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2517    1.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1034    1.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5034    0.1690    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.5241    2.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4414    2.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  2  0  0  0  0
  9 13  2  0  0  0  0
 11 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  2  0  0  0  0
 18 21  2  0  0  0  0
  5  7  1  0  0  0  0
  6  9  1  0  0  0  0
 12 14  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (5,479)
5479

>  <Formula> (5,479)
C16H9ClN2OS

>  <MolWeight> (5,479)
312.77346

>  <COMPOUND_NAME> (5,479)
WAY-300033

>  <BAR_CODE_NO> (5,479)
3901985

$$$$
WAY-300042
csChFnd80/06171916332D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -0.2000    0.1379    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.0379   -0.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6241   -0.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000    1.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8793    0.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2897   -1.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4828    0.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6241   -1.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0379    1.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6241    1.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8793    1.1207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6138   -0.4759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2379   -1.3897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5897   -1.9793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3103   -0.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4621   -1.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0517    2.5759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4483    2.1103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3000   -1.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1379    0.1103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  2  0  0  0  0
  6 14  1  0  0  0  0
  7 15  2  0  0  0  0
  8 16  1  0  0  0  0
  9 17  1  0  0  0  0
 10 18  3  0  0  0  0
 15 19  1  0  0  0  0
 15 20  1  0  0  0  0
  9 11  1  0  0  0  0
 12 13  1  0  0  0  0
 16 19  2  0  0  0  0
M  END
>  <Mol_ID> (5,480)
5480

>  <Formula> (5,480)
C14H12N4O2

>  <MolWeight> (5,480)
268.27068

>  <COMPOUND_NAME> (5,480)
WAY-300042

>  <BAR_CODE_NO> (5,480)
3901997

$$$$
WAY-300062
csChFnd80/06171916332D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -1.0000    0.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4000    0.5276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000   -0.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5552    0.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0172    0.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000    1.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4000   -0.5207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5552   -0.6448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1379    0.3172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5552    1.3034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6448    0.0172    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4448    1.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1379   -0.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5552   -1.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9621   -0.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6448    1.9345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7172   -0.6172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000   -0.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9448   -1.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9241    0.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5828   -1.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5828    0.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9000   -0.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  2  0  0  0  0
 15 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
  5  7  2  0  0  0  0
  9 13  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (5,481)
5481

>  <Formula> (5,481)
C16H16N4O2S

>  <MolWeight> (5,481)
328.38884

>  <COMPOUND_NAME> (5,481)
WAY-300062

>  <BAR_CODE_NO> (5,481)
3902022

$$$$
WAY-300091
csChFnd80/06171916332D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -1.3173    0.3620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0240    0.3482    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3173   -0.4173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0070    0.7482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0137   -0.4380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6033    0.9344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6587   -0.8173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0070   -0.8139    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6760    0.3620    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0070    1.5309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6827   -0.8311    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4275    0.9344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6760   -0.4311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0070   -1.5932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4346    0.5620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3447   -0.4484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6654   -1.6035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8413    1.6447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8447    0.2171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3518   -0.8173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0137   -0.8484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3275   -1.9932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6654    1.6482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2551    2.2309    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.6654    0.2171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0033   -1.6173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0827    0.9309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
 12 19  2  0  0  0  0
 13 20  2  0  0  0  0
 16 21  1  0  0  0  0
 17 22  1  0  0  0  0
 18 23  2  0  0  0  0
 18 24  1  0  0  0  0
 19 25  1  0  0  0  0
 21 26  1  0  0  0  0
 23 27  1  0  0  0  0
  5  7  2  0  0  0  0
  9 13  1  0  0  0  0
 22 26  1  0  0  0  0
 25 27  2  0  0  0  0
M  END
>  <Mol_ID> (5,482)
5482

>  <Formula> (5,482)
C19H22ClN5O2

>  <MolWeight> (5,482)
387.86328

>  <COMPOUND_NAME> (5,482)
WAY-300091

>  <BAR_CODE_NO> (5,482)
3902056

$$$$
WAY-300176
csChFnd80/06171916332D

 25 28  0  0  0  0  0  0  0  0999 V2000
    0.0345   -0.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0862    0.4310    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.7138   -0.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6655   -0.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8655    0.5828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4793    1.0034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4793   -0.4690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7138   -1.5483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6862   -1.5483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3862   -0.3483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3862   -0.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1414    1.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2586    0.9103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7138    0.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0345   -1.9690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1655    0.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9069    1.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6138    1.6621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5138    0.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6138   -2.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5207   -2.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4207    0.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4138    1.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8586    1.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2276    1.0034    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
 11 16  1  0  0  0  0
 12 17  2  0  0  0  0
 13 18  1  0  0  0  0
 14 19  1  0  0  0  0
 15 20  1  0  0  0  0
 15 21  1  0  0  0  0
 16 22  2  0  0  0  0
 18 23  2  0  0  0  0
 19 24  2  0  0  0  0
 22 25  1  0  0  0  0
  9 15  1  0  0  0  0
 13 14  2  0  0  0  0
 17 22  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (5,483)
5483

>  <Formula> (5,483)
C21H21FN2O

>  <MolWeight> (5,483)
336.4026432

>  <COMPOUND_NAME> (5,483)
WAY-300176

>  <BAR_CODE_NO> (5,483)
3902162

$$$$
WAY-300190-A
csChFnd80/06171916332D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.1474   -0.8127    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1474   -1.7161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6353   -0.3609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9267   -0.3609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6388   -2.1678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6353    0.5391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9267    0.5391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4112   -1.7161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6353   -3.0644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1474    0.9908    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2008   -2.1713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4077   -3.5092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1474    1.8908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1974   -3.0644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9836   -1.7161    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.9371    2.3494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7095    1.8839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9336    3.2322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4923    2.3322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7233    3.6770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5060    3.2253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  2  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
  7 10  1  0  0  0  0
 12 14  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (5,484)
5484

>  <Formula> (5,484)
C18H21FN2

>  <MolWeight> (5,484)
284.3711432

>  <COMPOUND_NAME> (5,484)
WAY-300190-A

>  <BAR_CODE_NO> (5,484)
3902181

$$$$
WAY-300194-A
csChFnd80/06171916332D

 20 22  0  0  0  0  0  0  0  0999 V2000
    4.6772    0.4694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3378   -0.2061    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6592   -1.5570    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1046    0.9095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9318   -0.3528    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4439    0.2341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3331    2.3920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5002    1.2991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8137    2.6328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8500    0.0874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2531   -1.7037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0832    0.6161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9347   -1.4102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7619    1.9670    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6801   -2.2324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5287   -1.2635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9138   -2.3791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7439   -0.0594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2740   -2.0857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1012    2.6424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3 18  1  0  0  0  0
  4 10  2  0  0  0  0
  5  1  2  0  0  0  0
  6 16  2  0  0  0  0
  7  4  1  0  0  0  0
  8  6  1  0  0  0  0
  9  7  1  0  0  0  0
 10 13  1  0  0  0  0
 11  2  1  0  0  0  0
 12  2  1  0  0  0  0
 13 15  1  0  0  0  0
 14  1  1  0  0  0  0
 15  3  1  0  0  0  0
 16 19  1  0  0  0  0
 17 11  1  0  0  0  0
 18 12  1  0  0  0  0
 19 13  2  0  0  0  0
 20 14  1  0  0  0  0
 17  3  1  0  0  0  0
  6  4  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <Mol_ID> (5,485)
5485

>  <Formula> (5,485)
C14H19N3O2S

>  <MolWeight> (5,485)
293.38456

>  <COMPOUND_NAME> (5,485)
WAY-300194-A

>  <BAR_CODE_NO> (5,485)
3902185

$$$$
WAY-299750
csChFnd80/06171916332D

 28 30  0  0  0  0  0  0  0  0999 V2000
   -1.2559    0.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2559   -0.7281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5524    0.2685    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9076    0.4064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9076   -1.1074    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5524   -0.9557    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3076    0.9719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1041   -0.3453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5559    0.0305    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9076    1.1547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5559   -0.7281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9076   -1.8557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4441    1.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2076    0.4064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2076   -1.1074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9441    0.5719    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6476    1.8443    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6476    0.7340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1476    0.1719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8924    1.4443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9441   -0.5315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8924    0.3443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6441    1.5926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1924   -0.6936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4441   -1.0936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1441    1.0443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9579   -1.4281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2441   -1.5764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  7 13  1  0  0  0  0
  9 14  1  0  0  0  0
 11 15  2  0  0  0  0
 13 16  1  0  0  0  0
 13 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  2  0  0  0  0
 21 24  1  0  0  0  0
 21 25  2  0  0  0  0
 22 26  2  0  0  0  0
 24 27  1  0  0  0  0
 27 28  1  0  0  0  0
  6  8  2  0  0  0  0
  9 11  1  0  0  0  0
 23 26  1  0  0  0  0
M  END
>  <Mol_ID> (5,486)
5486

>  <Formula> (5,486)
C18H19N5O5

>  <MolWeight> (5,486)
385.37396

>  <COMPOUND_NAME> (5,486)
WAY-299750

>  <BAR_CODE_NO> (5,486)
3901618

$$$$
WAY-299757
csChFnd80/06171916332D

 24 27  0  0  0  0  0  0  0  0999 V2000
    1.7032   -0.3725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3895   -0.8277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9584   -0.7035    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6205    0.4482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3412   -1.6518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1343   -0.4518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4032   -0.0898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8170    0.6240    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0274   -2.1035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8205   -0.9139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4312   -0.0898    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7688   -1.7415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8416    0.6240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4688   -2.1967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6657    0.6240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4312    1.3378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0795    1.3344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0795   -0.0898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9036    1.3344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9036   -0.0898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3174    0.6240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4657    1.9516    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1312    0.7965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2036    1.6240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
  7  8  1  0  0  0  0
 10 12  2  0  0  0  0
 20 21  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (5,487)
5487

>  <Formula> (5,487)
C18H14N2O3S

>  <MolWeight> (5,487)
338.38036

>  <COMPOUND_NAME> (5,487)
WAY-299757

>  <BAR_CODE_NO> (5,487)
3901625

$$$$
WAY-299765
csChFnd80/06171916332D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -0.0793   -0.0209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3310   -0.1623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1586   -0.1623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0793    0.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5897   -0.0519    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3621   -0.4416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4103   -0.0209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1586    0.4101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3310    0.4101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7793   -0.2623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6414   -0.5002    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4103    0.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6586   -0.1623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0621   -0.2312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6586    0.4101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000   -0.0209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000    0.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  2  0  0  0  0
  7 13  1  0  0  0  0
 10 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
 15 17  2  0  0  0  0
  8 12  1  0  0  0  0
 10 11  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (5,488)
5488

>  <Formula> (5,488)
C13H9NO2S

>  <MolWeight> (5,488)
243.28106

>  <COMPOUND_NAME> (5,488)
WAY-299765

>  <BAR_CODE_NO> (5,488)
3901635

$$$$
WAY-299771
csChFnd80/06171916332D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -1.3172    0.5207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1414    0.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3103    1.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5414    0.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6103    0.9759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5793   -0.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0690    1.6379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4310    1.5724    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0103    0.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3172   -0.6034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4103    0.9759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4586   -0.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8586    0.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8793    0.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2828    0.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1207    0.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8586   -0.6034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5414   -0.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2828   -1.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1207   -1.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3586   -0.6241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5414   -2.0414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7552    0.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3586   -2.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  9 13  2  0  0  0  0
 11 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
  5  7  1  0  0  0  0
  8  9  1  0  0  0  0
 12 14  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (5,489)
5489

>  <Formula> (5,489)
C18H14N2O3S

>  <MolWeight> (5,489)
338.38036

>  <COMPOUND_NAME> (5,489)
WAY-299771

>  <BAR_CODE_NO> (5,489)
3901643

$$$$
WAY-299775
csChFnd80/06171916332D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -0.5931    0.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3103    0.9069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5966   -0.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1207    0.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0345    0.4931    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1103   -0.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8276    0.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7552    0.9103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4586   -0.2241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6310   -0.2276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8276   -0.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7483    1.7448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4724    0.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5448   -0.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4621    2.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1897    0.9138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2621   -0.3207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5414   -1.5655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1897    1.7517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9828   -0.7276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6897   -0.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9862   -1.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4103   -0.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7069   -1.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4241   -1.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  8 12  2  0  0  0  0
  8 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
 14 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  2  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
  7 11  2  0  0  0  0
 16 19  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (5,490)
5490

>  <Formula> (5,490)
C19H16N2O3S

>  <MolWeight> (5,490)
352.40694

>  <COMPOUND_NAME> (5,490)
WAY-299775

>  <BAR_CODE_NO> (5,490)
3901651

$$$$
WAY-299783
csChFnd80/06171916332D

 33 36  0  0  0  0  0  0  0  0999 V2000
    0.3587    0.5964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6173   -0.1899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4654    0.5964    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8484    1.2688    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0516   -0.6692    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3967   -0.4450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7206   -0.1899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6415    1.4860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3725    1.9481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3208    0.5895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5691   -1.2554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0139    0.1032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5033   -0.4485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2277    0.9067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8415    2.2791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3518   -1.5140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7967   -0.1519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1137    0.1067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6689   -1.2485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0208    1.1274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6346    2.5032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9691   -0.9554    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8999   -0.1485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4482   -1.5105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2311    1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0689   -0.9554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5137    0.3964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6137   -2.3209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0208    2.1481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8516   -1.2209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2999    0.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9930   -2.8657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0206   -2.0278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  2  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  2  0  0  0  0
  8 15  1  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 13 18  2  0  0  0  0
 13 19  1  0  0  0  0
 14 20  1  0  0  0  0
 15 21  2  0  0  0  0
 16 22  1  0  0  0  0
 18 23  1  0  0  0  0
 19 24  2  0  0  0  0
 20 25  2  0  0  0  0
 23 26  2  0  0  0  0
 23 27  1  0  0  0  0
 24 28  1  0  0  0  0
 25 29  1  0  0  0  0
 26 30  1  0  0  0  0
 27 31  1  0  0  0  0
 28 32  1  0  0  0  0
 30 33  1  0  0  0  0
  5  7  1  0  0  0  0
 17 22  1  0  0  0  0
 21 25  1  0  0  0  0
 24 26  1  0  0  0  0
M  END
>  <Mol_ID> (5,491)
5491

>  <Formula> (5,491)
C23H26N2O7S

>  <MolWeight> (5,491)
474.52674

>  <COMPOUND_NAME> (5,491)
WAY-299783

>  <BAR_CODE_NO> (5,491)
3901663

$$$$
WAY-299801
csChFnd80/06171916332D

 21 22  0  0  0  0  0  0  0  0999 V2000
    0.1310   -1.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1310   -1.8552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7759   -0.7276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5207   -0.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7793   -2.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5103   -2.2310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4310   -1.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5241    0.0069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4310   -1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1690   -1.8621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0759   -0.7172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1172    0.3862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0690    0.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1172    1.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5310    1.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7690    1.5103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5310    2.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1828    1.1310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1828    2.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8310    1.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8310    2.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
  7  9  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (5,492)
5492

>  <Formula> (5,492)
C15H16N4O2

>  <MolWeight> (5,492)
284.31314

>  <COMPOUND_NAME> (5,492)
WAY-299801

>  <BAR_CODE_NO> (5,492)
3901686

$$$$
WAY-299845-A
csChFnd80/06171916332D

 23 25  0  0  0  0  0  0  0  0999 V2000
    0.1041   -0.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9063   -0.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7179   -1.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4592    0.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9063   -1.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8235    0.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1041   -1.9035    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7903   -1.1311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2649    1.6448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4972    1.0552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8235   -2.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7442   -0.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4006   -0.2552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3028    1.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7442   -1.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6821    0.0517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4730   -0.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9420    0.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9856    2.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6028   -0.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0868    0.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5696    1.5896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6420    1.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  0  0  0  0
 14 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
 21 23  1  0  0  0  0
  5  7  1  0  0  0  0
 12 15  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (5,493)
5493

>  <Formula> (5,493)
C18H23NO4

>  <MolWeight> (5,493)
317.37952

>  <COMPOUND_NAME> (5,493)
WAY-299845-A

>  <BAR_CODE_NO> (5,493)
3901743

$$$$
WAY-299860
csChFnd80/06171916332D

 22 25  0  0  0  0  0  0  0  0999 V2000
   -1.1000    0.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1000   -0.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2621    0.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5241    0.7552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6793   -0.5586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5241   -0.5586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2621   -0.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8414    0.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0586    0.4276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0586   -0.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8414   -0.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4241    0.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6586   -0.5724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4241   -0.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2483   -0.2310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8379   -0.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4241   -0.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4241    0.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0241   -0.5483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0207    0.8069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6207   -0.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6207    0.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
  5  7  1  0  0  0  0
  9 10  2  0  0  0  0
 12 14  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (5,494)
5494

>  <Formula> (5,494)
C15H11N7

>  <MolWeight> (5,494)
289.29474

>  <COMPOUND_NAME> (5,494)
WAY-299860

>  <BAR_CODE_NO> (5,494)
3901765

$$$$
WAY-299862
csChFnd80/06171916332D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -1.9103    1.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1103    1.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5724    1.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8724    0.3345    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5897    0.8207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8724    2.3207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3724    1.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0517    0.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2655    0.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0103    1.9345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5103    0.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7345   -0.7069    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7103    0.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7897    1.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2897    0.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5483    0.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9345    0.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9897   -0.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8276   -0.5655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5655   -1.3276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2655   -1.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1103   -1.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8483   -2.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5483   -1.9793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5276   -0.5276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2897   -2.7448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1276   -2.7276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  2  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 23 26  2  0  0  0  0
 24 27  2  0  0  0  0
  5  8  1  0  0  0  0
 15 17  2  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (5,495)
5495

>  <Formula> (5,495)
C20H18N2O3S2

>  <MolWeight> (5,495)
398.49852

>  <COMPOUND_NAME> (5,495)
WAY-299862

>  <BAR_CODE_NO> (5,495)
3901768

$$$$
WAY-299899
csChFnd80/06171916332D

 23 26  0  0  0  0  0  0  0  0999 V2000
   -1.3000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5276    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000   -0.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1793    1.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5276   -0.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6276    1.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4103   -1.2000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1793   -1.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1690    2.6586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6276   -1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7379    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000   -0.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9724    1.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7379   -0.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0517   -1.2414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0897    0.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0414   -2.4310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2517    1.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0897   -0.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3897    0.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2517   -1.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3897   -0.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 17 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
  5  7  1  0  0  0  0
  9 13  1  0  0  0  0
 12 15  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (5,496)
5496

>  <Formula> (5,496)
C17H18N4OS

>  <MolWeight> (5,496)
326.41602

>  <COMPOUND_NAME> (5,496)
WAY-299899

>  <BAR_CODE_NO> (5,496)
3901816

$$$$
WAY-299905
csChFnd80/06171916332D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -0.1241   -0.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2414    0.1034    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.2414   -1.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9586   -0.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2241    0.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0621    0.2828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0621   -1.5966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2379   -2.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4379   -1.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3379    0.1690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0586    0.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1621    1.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7241   -0.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7241   -1.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0759   -2.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5241    1.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3103    2.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4414    0.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4414   -1.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7586   -2.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0241   -2.8966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1379    2.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1759   -0.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1759   -1.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5724    2.9172    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -2.4103    2.9034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2379    3.6828    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
 11 16  2  0  0  0  0
 12 17  1  0  0  0  0
 13 18  1  0  0  0  0
 14 19  1  0  0  0  0
 15 20  1  0  0  0  0
 15 21  1  0  0  0  0
 16 22  1  0  0  0  0
 18 23  2  0  0  0  0
 19 24  2  0  0  0  0
 22 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
  9 15  1  0  0  0  0
 13 14  2  0  0  0  0
 17 22  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (5,497)
5497

>  <Formula> (5,497)
C21H21N3O3

>  <MolWeight> (5,497)
363.40974

>  <COMPOUND_NAME> (5,497)
WAY-299905

>  <BAR_CODE_NO> (5,497)
3901824

$$$$
WAY-299911
csChFnd80/06171916332D

 35 37  0  0  0  0  0  0  0  0999 V2000
   -2.6690   -0.3345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4897   -0.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1690    0.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1931   -1.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9069   -1.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8897    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3966    0.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4103    1.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4103   -0.7724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4586   -1.7897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7379   -1.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7138    0.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7241    0.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1379   -0.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0241    0.1759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9586   -0.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.6483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3586    0.4414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3828   -0.9793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4483    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1241    0.7724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5207   -0.5241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8724    0.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5483    0.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9414   -0.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2966    0.5483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4724    1.7310    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.6862   -0.7448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3655   -0.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7241    2.0793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1483    2.2034    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.1138   -0.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7931   -0.9448    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.3241   -1.4621    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.8931   -0.2517    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
 11 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  2  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  2  0  0  0  0
 24 27  1  0  0  0  0
 25 28  1  0  0  0  0
 26 29  1  0  0  0  0
 27 30  2  0  0  0  0
 27 31  1  0  0  0  0
 29 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 32 35  1  0  0  0  0
  7  9  1  0  0  0  0
 12 14  2  0  0  0  0
 28 29  2  0  0  0  0
M  END
>  <Mol_ID> (5,498)
5498

>  <Formula> (5,498)
C23H19F3N4O5

>  <MolWeight> (5,498)
488.4159696

>  <COMPOUND_NAME> (5,498)
WAY-299911

>  <BAR_CODE_NO> (5,498)
3901832

$$$$
WAY-299914
csChFnd80/06171916332D

 16 17  0  0  0  0  0  0  0  0999 V2000
    1.2667   -0.6905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3972    0.8039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1948   -1.0282    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4956   -1.5506    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0163    1.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7565    1.4380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9676    0.2574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8550   -0.9164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3214    2.8512    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9854    0.5779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4619    0.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0839   -1.7765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3220   -0.8410    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0961    1.7472    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8163   -0.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6765   -1.9395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
  5  7  2  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Mol_ID> (5,499)
5499

>  <Formula> (5,499)
C11H12N2O2S

>  <MolWeight> (5,499)
236.29018

>  <COMPOUND_NAME> (5,499)
WAY-299914

>  <BAR_CODE_NO> (5,499)
3901836

$$$$
WAY-299920
csChFnd80/06171916332D

 21 23  0  0  0  0  0  0  0  0999 V2000
    2.2207   -0.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2207    1.0690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5655   -1.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9069   -1.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8828    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5552    1.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000   -0.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9138   -2.7828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4517    1.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8690    3.3793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    1.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2448   -3.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7966    1.8241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1241    1.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1241   -0.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4552    1.8172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4552   -1.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7793   -1.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7828    1.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7828   -0.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  8 13  1  0  0  0  0
 10 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
  7 12  1  0  0  0  0
  9 13  2  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (5,500)
5500

>  <Formula> (5,500)
C18H19NO2

>  <MolWeight> (5,500)
281.34896

>  <COMPOUND_NAME> (5,500)
WAY-299920

>  <BAR_CODE_NO> (5,500)
3901843

$$$$
WAY-299941
csChFnd80/06171916332D

 23 25  0  0  0  0  0  0  0  0999 V2000
    0.0552   -1.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1172   -0.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8414   -1.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5586   -1.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4345    0.2207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8759   -0.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0138   -2.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4517   -0.8966    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.3862   -2.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0241    0.9379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7897    0.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000   -2.8172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3621    1.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5759   -3.6241    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.1276    2.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3621   -3.8759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0379   -4.1793    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.9517    2.3621    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1310    3.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000    3.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5379    3.6310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9207    3.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9897    3.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
 10 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 15 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  2  0  0  0  0
 20 23  2  0  0  0  0
  9 12  2  0  0  0  0
 10 11  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (5,501)
5501

>  <Formula> (5,501)
C14H8BrN3O4S

>  <MolWeight> (5,501)
394.20002

>  <COMPOUND_NAME> (5,501)
WAY-299941

>  <BAR_CODE_NO> (5,501)
3901867

$$$$
WAY-300286
csChFnd80/06171916332D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -0.3276    0.5207    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.6862    0.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0552    0.8379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0345    0.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7552    0.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6655   -0.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0552    0.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2069    1.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3552    0.7483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0621   -0.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2862   -0.3207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0172   -0.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4069    0.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0621    1.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6345    1.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5724    0.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5552   -0.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2552   -0.7517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3862   -0.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4931    1.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1345   -0.9414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6172   -0.9793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4828   -0.7000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7241   -0.8103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1241   -0.6793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6448   -1.1793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4621   -0.9724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3828   -1.3414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  1  0  0  0  0
  3  8  2  0  0  0  0
  3  9  1  0  0  0  0
  4 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  2  0  0  0  0
 10 16  1  0  0  0  0
 10 17  1  0  0  0  0
 11 18  1  0  0  0  0
 12 19  2  0  0  0  0
 14 20  2  0  0  0  0
 18 21  1  0  0  0  0
 18 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 10 11  1  0  0  0  0
 13 19  1  0  0  0  0
 15 20  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <Mol_ID> (5,502)
5502

>  <Formula> (5,502)
C22H24N4OS

>  <MolWeight> (5,502)
392.51716

>  <COMPOUND_NAME> (5,502)
WAY-300286

>  <BAR_CODE_NO> (5,502)
3902302

$$$$
WAY-300319
csChFnd80/06171916332D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.9310    0.2207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6448   -0.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2207   -0.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9310    1.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6448   -1.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3552    0.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4931    0.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2103    1.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3552   -1.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0690   -0.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000    1.0379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0690   -1.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2172    1.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7828   -1.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9310    1.0276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2241    2.2690    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9241    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6379   -0.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2069   -0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6276   -1.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3483    0.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2000   -1.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9069   -1.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  2  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (5,503)
5503

>  <Formula> (5,503)
C19H23N3S

>  <MolWeight> (5,503)
325.47102

>  <COMPOUND_NAME> (5,503)
WAY-300319

>  <BAR_CODE_NO> (5,503)
3902341

$$$$
WAY-300323
csChFnd80/06171916332D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -1.3616    0.8203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3926    0.9100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9098    0.0514    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9098    1.6341    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0315    1.8065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1660    0.1065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8547    0.3514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8547    1.3307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0246    1.9134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1453    0.1789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6926   -0.1486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6926    1.8307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5798    1.0548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5512    0.3514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5512    1.3307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5695    1.0996    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0729    0.2617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6143   -0.5969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0660    0.2858    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1246   -1.4314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6212   -0.6176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6522   -2.2900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1453   -1.4693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6453   -2.3280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1453   -3.2107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1660   -3.2245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 15  2  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 18 21  2  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
  7  8  2  0  0  0  0
 10 13  2  0  0  0  0
 14 15  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (5,504)
5504

>  <Formula> (5,504)
C21H16N2O2S

>  <MolWeight> (5,504)
360.42894

>  <COMPOUND_NAME> (5,504)
WAY-300323

>  <BAR_CODE_NO> (5,504)
3902347

$$$$
WAY-300364
csChFnd80/06171916332D

 26 28  0  0  0  0  0  0  0  0999 V2000
    0.1517    1.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.4483    0.5586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8586    0.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0724    1.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0483    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4414   -0.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9517    0.2207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4448    1.2724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8034    1.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0931   -0.5690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2069   -0.5690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7207   -0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7414   -0.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2828    0.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8690   -0.9379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3931   -0.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9966    0.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1310    1.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5828   -1.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0414   -0.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3931   -1.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1448   -0.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5586    0.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6931   -0.5759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0414   -1.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6931   -1.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
 10 13  1  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  2  0  0  0  0
 16 20  1  0  0  0  0
 16 21  2  0  0  0  0
 17 22  2  0  0  0  0
 17 23  1  0  0  0  0
 20 24  2  0  0  0  0
 21 25  1  0  0  0  0
 24 26  1  0  0  0  0
  5  9  1  0  0  0  0
 19 22  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <Mol_ID> (5,505)
5505

>  <Formula> (5,505)
C21H24N2O3

>  <MolWeight> (5,505)
352.42686

>  <COMPOUND_NAME> (5,505)
WAY-300364

>  <BAR_CODE_NO> (5,505)
3902407

$$$$
WAY-300374
csChFnd80/06171916332D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -0.0241    0.3862    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.2483    1.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7379   -0.1517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9345    0.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3138    2.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1862    1.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4759    0.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7862   -1.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2138   -0.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5931    0.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2448    1.9793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0759    2.9483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7552    2.0379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4069    0.1690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6552   -1.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1345   -0.9414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4931    0.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6448    1.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7931    2.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7172   -2.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7931   -0.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5724    0.9966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7517    2.6483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5552   -2.8414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7138   -0.5034    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1138    1.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6759   -3.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3655   -2.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6379   -3.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0483   -3.0621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
  6 13  1  0  0  0  0
  7 14  2  0  0  0  0
  8 15  1  0  0  0  0
  9 16  1  0  0  0  0
 10 17  2  0  0  0  0
 11 18  1  0  0  0  0
 11 19  2  0  0  0  0
 15 20  1  0  0  0  0
 16 21  2  0  0  0  0
 18 22  2  0  0  0  0
 19 23  1  0  0  0  0
 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
 22 26  1  0  0  0  0
 24 27  1  0  0  0  0
 24 28  1  0  0  0  0
 27 29  2  0  0  0  0
 28 30  2  0  0  0  0
  6  7  1  0  0  0  0
 17 21  1  0  0  0  0
 23 26  2  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (5,506)
5506

>  <Formula> (5,506)
C23H20FN3O3

>  <MolWeight> (5,506)
405.4216032

>  <COMPOUND_NAME> (5,506)
WAY-300374

>  <BAR_CODE_NO> (5,506)
3902419

$$$$
WAY-300380
csChFnd80/06171916332D

 28 31  0  0  0  0  0  0  0  0999 V2000
    0.0000   -0.0621    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.6517   -0.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6552   -0.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6517   -1.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3069   -0.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4448    0.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4586    0.7172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6552   -1.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3034   -0.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.5724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3069   -1.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9552   -0.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3069    0.6897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4345    1.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4655    1.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1345   -1.5655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9517   -0.4414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3034    0.6862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9552   -1.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0207    1.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8069    1.6138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6034   -0.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6069   -1.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5172   -0.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0759    2.0138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5862    2.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2517   -0.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  2  0  0  0  0
  7 15  2  0  0  0  0
  8 16  1  0  0  0  0
  9 17  1  0  0  0  0
 10 18  1  0  0  0  0
 10 19  2  0  0  0  0
 12 20  1  0  0  0  0
 15 21  1  0  0  0  0
 15 22  1  0  0  0  0
 18 23  1  0  0  0  0
 20 24  1  0  0  0  0
 20 25  1  0  0  0  0
 21 26  1  0  0  0  0
 22 27  1  0  0  0  0
 23 28  1  0  0  0  0
  9 11  1  0  0  0  0
 13 20  1  0  0  0  0
 16 21  2  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (5,507)
5507

>  <Formula> (5,507)
C21H23NO6

>  <MolWeight> (5,507)
385.41042

>  <COMPOUND_NAME> (5,507)
WAY-300380

>  <BAR_CODE_NO> (5,507)
3902427

$$$$
WAY-300385
csChFnd80/06171916332D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -0.8586    0.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8655    0.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5655   -0.8621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1966    0.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1966   -0.8621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5483    0.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3586   -1.4276    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4138   -1.0483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7897    0.6517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5103    1.8207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1586   -1.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5310    0.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0862   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4655    1.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8310   -0.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0517   -0.5172    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.7241    0.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6862    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9655   -0.9276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4414    0.7103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
  5  7  1  0  0  0  0
  9 13  1  0  0  0  0
 12 15  1  0  0  0  0
M  END
>  <Mol_ID> (5,508)
5508

>  <Formula> (5,508)
C13H15N3O2S2

>  <MolWeight> (5,508)
309.4071

>  <COMPOUND_NAME> (5,508)
WAY-300385

>  <BAR_CODE_NO> (5,508)
3902432

$$$$
WAY-300386
csChFnd80/06171916332D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -2.6724   -0.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5931   -1.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9931    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6931    0.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4138   -2.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8724   -2.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7345   -1.0793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3724    1.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0552    2.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1931   -1.7379    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.3931    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1345   -0.3586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9655   -2.4793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0862    0.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2931    0.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2448   -0.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4655    0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5276    1.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6276   -0.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7448    2.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8448    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9069    1.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  8 11  2  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
  6  7  1  0  0  0  0
  9 11  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (5,509)
5509

>  <Formula> (5,509)
C18H19N3O

>  <MolWeight> (5,509)
293.36296

>  <COMPOUND_NAME> (5,509)
WAY-300386

>  <BAR_CODE_NO> (5,509)
3902433

$$$$
WAY-300408
csChFnd80/06171916332D

 28 30  0  0  0  0  0  0  0  0999 V2000
    0.0987    0.4734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8194    0.8768    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0987   -0.3266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5840    0.8768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4918    1.2803    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2091    0.1734    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3815    1.5734    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6047   -0.7163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2909    0.4734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4918    2.0768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2909   -0.3266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8194    2.4734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0987    2.6113    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9806   -0.7508    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9850    3.2803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0746    2.1734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7643    3.3389    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9806   -1.5508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4505    3.8768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2909   -1.9439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6771   -1.9439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6047   -1.5508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2909   -2.7508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0987   -1.9439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6047   -3.1611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0987   -2.7508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7815   -3.1611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4367   -2.6818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  8 11  2  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  2  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
  9 11  1  0  0  0  0
 15 17  2  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (5,510)
5510

>  <Formula> (5,510)
C19H19N3O5S

>  <MolWeight> (5,510)
401.43626

>  <COMPOUND_NAME> (5,510)
WAY-300408

>  <BAR_CODE_NO> (5,510)
3902456

$$$$
WAY-271517
csChFnd80/06171916332D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -2.6583   -0.3750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4208   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3333    0.7875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1083    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5208    0.9625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1333   -0.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2833    0.1625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2250   -1.2667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1125   -0.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8958   -0.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9375   -0.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0333   -1.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4458   -0.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2250   -1.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4833   -1.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1917   -0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3417    1.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5125    1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6792    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8167    2.0083    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8  6  1  0  0  0  0
  9 12  1  0  0  0  0
 10  9  1  0  0  0  0
 11  6  2  0  0  0  0
 12  7  1  0  0  0  0
 13  8  1  0  0  0  0
 14 11  1  0  0  0  0
 15  9  2  0  0  0  0
 16  1  1  0  0  0  0
 17 10  2  0  0  0  0
 18 10  1  0  0  0  0
 19 20  1  0  0  0  0
 20 18  2  0  0  0  0
 21 17  1  0  0  0  0
 22 19  1  0  0  0  0
  3  5  1  0  0  0  0
 13 14  2  0  0  0  0
 19 21  2  0  0  0  0
M  END
>  <Mol_ID> (5,511)
5511

>  <Formula> (5,511)
C15H12ClN3OS2

>  <MolWeight> (5,511)
349.85828

>  <COMPOUND_NAME> (5,511)
WAY-271517

>  <BAR_CODE_NO> (5,511)
397403

$$$$
WAY-271522
csChFnd80/06171916332D

 24 25  0  0  0  0  0  0  0  0999 V2000
    5.6417   -5.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6417   -6.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6167   -4.4750    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.6875   -6.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6625   -6.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6875   -5.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6167   -4.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6375   -3.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7292   -6.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.6375   -0.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6125    0.2833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6167   -3.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6875   -2.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6417   -2.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6417   -1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6875   -1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5917   -5.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6167   -6.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5875    0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6292    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5917   -6.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5750    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6500    0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5667   -6.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  6  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8  3  1  0  0  0  0
  9  4  2  0  0  0  0
 10 15  1  0  0  0  0
 11 10  1  0  0  0  0
 12  7  2  0  0  0  0
 13  8  2  0  0  0  0
 14  8  1  0  0  0  0
 15 14  2  0  0  0  0
 16 13  1  0  0  0  0
 17  7  1  0  0  0  0
 18  2  1  0  0  0  0
 19 11  1  0  0  0  0
 20 11  1  0  0  0  0
 21 17  1  0  0  0  0
 22 19  1  0  0  0  0
 23 20  1  0  0  0  0
 24 21  1  0  0  0  0
  5  4  1  0  0  0  0
 16 10  2  0  0  0  0
M  END
>  <Mol_ID> (5,512)
5512

>  <Formula> (5,512)
C18H25N3O2S

>  <MolWeight> (5,512)
347.475

>  <COMPOUND_NAME> (5,512)
WAY-271522

>  <BAR_CODE_NO> (5,512)
397408

$$$$
WAY-271526
csChFnd80/06171916332D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -0.5995   -0.4315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2828   -0.8315    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5995    0.3518    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9620   -0.4315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9620    0.3518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2828    0.7518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0797   -0.8315    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6453   -0.8315    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7547   -0.4482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1505    0.3268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8297    0.7268    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7547    0.3518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4380   -0.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4547    0.7393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1547   -0.4607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2828    1.5268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  6  2  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8  4  2  0  0  0  0
  9  7  1  0  0  0  0
 10 15  1  0  0  0  0
 11 10  1  0  0  0  0
 12  9  2  0  0  0  0
 13  9  1  0  0  0  0
 14 12  1  0  0  0  0
 15 13  2  0  0  0  0
 16  6  1  0  0  0  0
  5  4  1  0  0  0  0
 10 14  2  0  0  0  0
M  END
>  <Mol_ID> (5,513)
5513

>  <Formula> (5,513)
C11H10ClN3O

>  <MolWeight> (5,513)
235.6696

>  <COMPOUND_NAME> (5,513)
WAY-271526

>  <BAR_CODE_NO> (5,513)
397412

$$$$
WAY-271540
csChFnd80/06171916332D

 33 37  0  0  0  0  0  0  0  0999 V2000
    9.7917    5.6875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7667    6.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3167    5.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5292    6.2417    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.3167    4.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0667    7.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1042    3.4583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6750    7.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1042    6.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1167    4.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8917    4.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8917    5.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6792    3.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5625    4.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5625    5.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6792    6.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6292    9.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3500    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3500    6.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8875    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5167    4.6167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3250    3.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5792    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0167    2.9458    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.7917   10.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0292    9.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5375    2.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4875    1.2208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5917   10.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3917   11.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8000   11.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4042   12.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  2  0  0  0  0
  7  5  2  0  0  0  0
  8  4  1  0  0  0  0
  9  3  2  0  0  0  0
 10  1  1  0  0  0  0
 11 12  1  0  0  0  0
 12  9  1  0  0  0  0
 13 11  2  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 12  2  0  0  0  0
 17  6  1  0  0  0  0
 18 14  1  0  0  0  0
 19 15  1  0  0  0  0
 20 28  1  0  0  0  0
 21 19  1  0  0  0  0
 22 10  2  0  0  0  0
 23 10  1  0  0  0  0
 24 20  2  0  0  0  0
 25  5  1  0  0  0  0
 26 17  1  0  0  0  0
 27 17  2  0  0  0  0
 28 23  1  0  0  0  0
 29 20  1  0  0  0  0
 30 27  1  0  0  0  0
 31 26  2  0  0  0  0
 32 30  2  0  0  0  0
 33 32  1  0  0  0  0
  6  8  1  0  0  0  0
 11  7  1  0  0  0  0
 31 32  1  0  0  0  0
 14 13  1  0  0  0  0
 21 18  1  0  0  0  0
M  END
>  <Mol_ID> (5,514)
5514

>  <Formula> (5,514)
C24H20ClN3O5

>  <MolWeight> (5,514)
465.8857

>  <COMPOUND_NAME> (5,514)
WAY-271540

>  <BAR_CODE_NO> (5,514)
397426

$$$$
WAY-271547
csChFnd80/06171916332D

 25 28  0  0  0  0  0  0  0  0999 V2000
    3.0375   -1.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5250   -2.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2917   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542   -2.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500   -1.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0792   -0.4167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0417   -2.7875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000   -0.0042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -2.5417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3542   -2.1125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5292   -2.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042   -2.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0667    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2917    0.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5292   -1.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7625   -2.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -1.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042   -3.7667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3417   -3.5542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083   -2.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6875    0.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1167    1.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5875   -2.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5167    1.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7250    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6  3  2  0  0  0  0
  7  2  1  0  0  0  0
  8  3  1  0  0  0  0
  9 17  1  0  0  0  0
 10  2  1  0  0  0  0
 11  4  1  0  0  0  0
 12  9  1  0  0  0  0
 13  6  1  0  0  0  0
 14  8  1  0  0  0  0
 15  5  1  0  0  0  0
 16 10  1  0  0  0  0
 17 15  1  0  0  0  0
 18 12  2  0  0  0  0
 19 16  2  0  0  0  0
 20 12  1  0  0  0  0
 21 13  1  0  0  0  0
 22 14  1  0  0  0  0
 23 16  1  0  0  0  0
 24 21  2  0  0  0  0
 25 22  2  0  0  0  0
  4  7  1  0  0  0  0
 11  9  1  0  0  0  0
 14 13  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (5,515)
5515

>  <Formula> (5,515)
C18H17N3O2S2

>  <MolWeight> (5,515)
371.47648

>  <COMPOUND_NAME> (5,515)
WAY-271547

>  <BAR_CODE_NO> (5,515)
397433

$$$$
WAY-271599
csChFnd80/06171916332D

 24 27  0  0  0  0  0  0  0  0999 V2000
    0.0625   -0.1375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6500   -0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0625    0.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708   -0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6500    1.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708    0.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7792   -0.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7792    1.1083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6458   -1.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4917   -0.1292    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.0833    1.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042   -0.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6500    1.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0833   -0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792    0.6875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7958   -0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708    2.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7958    0.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0833    1.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042   -1.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9125   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6292   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9167   -1.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6375   -1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  1  1  0  0  0  0
  8  3  2  0  0  0  0
  9  2  2  0  0  0  0
 10  7  1  0  0  0  0
 11  6  2  0  0  0  0
 12 10  1  0  0  0  0
 13  5  2  0  0  0  0
 14  4  2  0  0  0  0
 15 10  1  0  0  0  0
 16 14  1  0  0  0  0
 17 13  1  0  0  0  0
 18 11  1  0  0  0  0
 19 17  2  0  0  0  0
 20 12  2  0  0  0  0
 21 12  1  0  0  0  0
 22 21  2  0  0  0  0
 23 20  1  0  0  0  0
 24 22  1  0  0  0  0
  4  6  1  0  0  0  0
 11 19  1  0  0  0  0
 16 18  2  0  0  0  0
 24 23  2  0  0  0  0
M  END
>  <Mol_ID> (5,516)
5516

>  <Formula> (5,516)
C20H15NO3

>  <MolWeight> (5,516)
317.338

>  <COMPOUND_NAME> (5,516)
WAY-271599

>  <BAR_CODE_NO> (5,516)
397485

$$$$
WAY-271600
csChFnd80/06171916332D

 27 30  0  0  0  0  0  0  0  0999 V2000
    0.5042    0.9458    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.0958    1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4875    0.2458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7125    0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1292    1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667   -0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3125    1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0958    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6875    0.2208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9125    0.9625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1500    1.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0500   -0.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3125    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7125    2.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7125    0.2625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5500    2.3458    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.4500   -1.1792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7042    0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667   -0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5125    1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667    2.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9125    2.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3292    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667   -0.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5125    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3500    1.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8  2  1  0  0  0  0
  9  6  1  0  0  0  0
 10  7  1  0  0  0  0
 11  5  1  0  0  0  0
 12  6  2  0  0  0  0
 13 14  1  0  0  0  0
 14  8  2  0  0  0  0
 15  4  1  0  0  0  0
 16 11  1  0  0  0  0
 17 12  1  0  0  0  0
 18  5  2  0  0  0  0
 19  9  2  0  0  0  0
 20 10  2  0  0  0  0
 21 11  2  0  0  0  0
 22 12  1  0  0  0  0
 23 13  1  0  0  0  0
 24 18  1  0  0  0  0
 25 22  2  0  0  0  0
 26 23  2  0  0  0  0
 27 24  2  0  0  0  0
 27 21  1  0  0  0  0
 13  7  2  0  0  0  0
 19 25  1  0  0  0  0
 26 20  1  0  0  0  0
M  END
>  <Mol_ID> (5,517)
5517

>  <Formula> (5,517)
C21H16FN3O2

>  <MolWeight> (5,517)
361.3690432

>  <COMPOUND_NAME> (5,517)
WAY-271600

>  <BAR_CODE_NO> (5,517)
397486

$$$$
WAY-271620
csChFnd80/06171916332D

 24 27  0  0  0  0  0  0  0  0999 V2000
    5.5542    4.6250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1042    4.7167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2542    3.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0667    5.9792    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7792    6.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9917    6.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9542    2.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3125    2.0583    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.0417    2.7583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3500    0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4250    6.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    6.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5917    0.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3792    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3542    5.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2875    8.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3125    5.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8417    7.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0250    8.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7167    5.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2000    7.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417    6.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1375    6.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  2  0  0  0  0
  6  4  1  0  0  0  0
  7  3  1  0  0  0  0
  8  7  1  0  0  0  0
  9  3  2  0  0  0  0
 10  7  2  0  0  0  0
 11  4  1  0  0  0  0
 12  5  1  0  0  0  0
 13  8  1  0  0  0  0
 14 10  1  0  0  0  0
 15 12  1  0  0  0  0
 16 12  2  0  0  0  0
 17 11  2  0  0  0  0
 18 11  1  0  0  0  0
 19 16  1  0  0  0  0
 20 17  1  0  0  0  0
 21 18  2  0  0  0  0
 22 15  2  0  0  0  0
 23 19  2  0  0  0  0
 24 21  1  0  0  0  0
  5  6  1  0  0  0  0
 14 13  2  0  0  0  0
 20 24  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (5,518)
5518

>  <Formula> (5,518)
C20H16N2OS

>  <MolWeight> (5,518)
332.41884

>  <COMPOUND_NAME> (5,518)
WAY-271620

>  <BAR_CODE_NO> (5,518)
397506

$$$$
WAY-271646-A
csChFnd80/06171916332D

 24 27  0  0  0  0  0  0  0  0999 V2000
    6.0917   -2.7542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9292   -2.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0417   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8917   -1.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5542   -1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4417   -3.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4542   -3.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5917   -3.5542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7292   -2.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7667   -3.2250    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.2292   -3.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2667   -3.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2667   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0917   -3.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9542   -2.3167    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.5917   -2.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3667   -1.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7042   -1.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4167   -2.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1042   -4.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7042   -2.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3917   -3.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1917   -0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5167   -0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  1  1  0  0  0  0
  7  2  2  0  0  0  0
  8 12  1  0  0  0  0
  9  3  2  0  0  0  0
 10  6  1  0  0  0  0
 11 22  1  0  0  0  0
 12 10  1  0  0  0  0
 13  9  1  0  0  0  0
 14  7  1  0  0  0  0
 15 13  1  0  0  0  0
 16 10  1  0  0  0  0
 17  4  1  0  0  0  0
 18  5  1  0  0  0  0
 19  8  1  0  0  0  0
 20  8  1  0  0  0  0
 21 19  1  0  0  0  0
 22 20  1  0  0  0  0
 23 18  2  0  0  0  0
 24 17  2  0  0  0  0
  3  5  1  0  0  0  0
 24 23  1  0  0  0  0
 14 13  2  0  0  0  0
 21 11  1  0  0  0  0
M  END
>  <Mol_ID> (5,519)
5519

>  <Formula> (5,519)
C19H22BrN3O

>  <MolWeight> (5,519)
388.30148

>  <COMPOUND_NAME> (5,519)
WAY-271646

>  <BAR_CODE_NO> (5,519)
397532

$$$$
WAY-271648
csChFnd80/06171916332D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -0.8653    0.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8653   -0.9084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2930   -1.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4805    0.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4638   -0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0195    1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0195    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2930   -2.9417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1903    3.1291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0195   -1.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8653    3.1291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4638   -3.6417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6555    1.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6305   -1.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1903    0.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1903   -0.9084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3138    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8263    0.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8055   -0.9459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  1  2  0  0  0  0
  7  6  1  0  0  0  0
  8  3  2  0  0  0  0
  9  7  2  0  0  0  0
 10  2  2  0  0  0  0
 11  7  1  0  0  0  0
 12  8  1  0  0  0  0
 13  4  1  0  0  0  0
 14  5  1  0  0  0  0
 15  6  1  0  0  0  0
 16 15  2  0  0  0  0
 17 11  1  0  0  0  0
 18 13  2  0  0  0  0
 19 18  1  0  0  0  0
  3  5  1  0  0  0  0
 16 10  1  0  0  0  0
 19 14  2  0  0  0  0
M  END
>  <Mol_ID> (5,520)
5520

>  <Formula> (5,520)
C15H11NO3

>  <MolWeight> (5,520)
253.25274

>  <COMPOUND_NAME> (5,520)
WAY-271648

>  <BAR_CODE_NO> (5,520)
397534

$$$$
WAY-271657
csChFnd80/06171916332D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.8625    0.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8500    1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4958    2.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1375    1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708    2.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3375    0.7833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4542    1.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2458   -1.1667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3667    2.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8625   -0.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9542   -0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8375   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1208   -0.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3375   -2.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1375   -1.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2375   -1.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6375   -3.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0208    1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2708   -0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1708    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8 10  1  0  0  0  0
  9  8  1  0  0  0  0
 10  7  1  0  0  0  0
 11 16  2  0  0  0  0
 12  8  2  0  0  0  0
 13  1  1  0  0  0  0
 14  9  1  0  0  0  0
 15  9  2  0  0  0  0
 16  6  1  0  0  0  0
 17 18  2  0  0  0  0
 18 15  1  0  0  0  0
 19 14  2  0  0  0  0
 20 17  1  0  0  0  0
 21  6  2  0  0  0  0
 22 23  2  0  0  0  0
 23 21  1  0  0  0  0
  5  3  1  0  0  0  0
 22 11  1  0  0  0  0
 19 17  1  0  0  0  0
M  END
>  <Mol_ID> (5,521)
5521

>  <Formula> (5,521)
C16H13FN4OS

>  <MolWeight> (5,521)
328.3640232

>  <COMPOUND_NAME> (5,521)
WAY-271657

>  <BAR_CODE_NO> (5,521)
397543

$$$$
WAY-271670
csChFnd80/06171916332D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -1.4982    0.4705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5913    0.2671    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9602   -0.3295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9602    1.2740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5085   -0.6398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1156    0.8705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3396   -1.0157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8913   -0.3295    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8844    1.2843    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4982    2.0878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2984   -1.1019    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9880    0.5705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3533    0.4705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3706   -1.1260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3087   -2.0260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6846    1.1740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2775    0.4602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1053   -2.4847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5501    0.8809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1053   -3.4191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2363    1.4947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7329   -0.0191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1087    1.1981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6053   -0.3122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2949    0.3016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  2  0  0  0  0
  5  7  2  0  0  0  0
  9 13  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (5,522)
5522

>  <Formula> (5,522)
C16H19N5O4

>  <MolWeight> (5,522)
345.35316

>  <COMPOUND_NAME> (5,522)
WAY-271670

>  <BAR_CODE_NO> (5,522)
397556

$$$$
WAY-271674
csChFnd80/06171916332D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -0.6047    0.2026    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5150    0.4026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5116   -0.6974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0988    0.8061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9736   -0.3974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9840    1.2061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3461   -1.0836    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3057   -1.1491    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9677    0.5026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9081   -0.3974    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9081    1.2061    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5219    2.0233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0919   -0.6491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3160   -2.0594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6608    1.1061    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3702    0.4026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3943   -1.2008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9091   -1.0905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4702   -2.5629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5367    0.8061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2978    0.4026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7126   -0.0974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2401    1.4061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5815   -0.3974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1091    1.1061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2746    0.2026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 10 17  1  0  0  0  0
 13 18  1  0  0  0  0
 14 19  1  0  0  0  0
 15 20  1  0  0  0  0
 16 21  2  0  0  0  0
 20 22  1  0  0  0  0
 20 23  2  0  0  0  0
 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
  5  7  1  0  0  0  0
 11 16  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <Mol_ID> (5,523)
5523

>  <Formula> (5,523)
C18H23N5O3

>  <MolWeight> (5,523)
357.40692

>  <COMPOUND_NAME> (5,523)
WAY-271674

>  <BAR_CODE_NO> (5,523)
397560

$$$$
WAY-271684
csChFnd80/06171916332D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -3.2458    1.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5000    2.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4625    1.3333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2958    0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0208    3.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5125    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9125    1.1083    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2458   -0.5125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3333    2.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    1.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9083   -0.0292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458    0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1958    2.9583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3583    3.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  1  1  0  0  0  0
  8  6  1  0  0  0  0
  9  2  1  0  0  0  0
 10  7  1  0  0  0  0
 11  4  2  0  0  0  0
 12  6  2  0  0  0  0
 13  8  1  0  0  0  0
 14  5  2  0  0  0  0
 15 12  1  0  0  0  0
 16  5  1  0  0  0  0
 10  9  2  0  0  0  0
 15 13  2  0  0  0  0
M  END
>  <Mol_ID> (5,524)
5524

>  <Formula> (5,524)
C10H8N2O2S2

>  <MolWeight> (5,524)
252.31272

>  <COMPOUND_NAME> (5,524)
WAY-271684

>  <BAR_CODE_NO> (5,524)
397570

$$$$
WAY-271933
csChFnd80/06171916332D

 23 25  0  0  0  0  0  0  0  0999 V2000
    3.2792   -0.3542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8292    0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5167   -0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4125    0.9750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6000    0.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6542    0.1833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3500   -0.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0375    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042   -0.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583    0.7833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792   -0.0292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667   -0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2625   -0.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2375    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4542   -1.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0708   -0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6167    1.1583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3500   -1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0708    1.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667   -1.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0708   -1.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833   -0.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833    0.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  2  0  0  0  0
  6  2  1  0  0  0  0
  7 12  2  0  0  0  0
  8 14  1  0  0  0  0
  9  3  1  0  0  0  0
 10  7  1  0  0  0  0
 11  9  1  0  0  0  0
 12 11  1  0  0  0  0
 13  8  2  0  0  0  0
 14  6  1  0  0  0  0
 15  1  1  0  0  0  0
 16  7  1  0  0  0  0
 17  8  1  0  0  0  0
 18 20  2  0  0  0  0
 19 10  2  0  0  0  0
 20 12  1  0  0  0  0
 21 18  1  0  0  0  0
 22 16  1  0  0  0  0
 23 22  2  0  0  0  0
  5  4  1  0  0  0  0
 21 16  2  0  0  0  0
 23 19  1  0  0  0  0
M  END
>  <Mol_ID> (5,525)
5525

>  <Formula> (5,525)
C15H15N5O2S

>  <MolWeight> (5,525)
329.3769

>  <COMPOUND_NAME> (5,525)
WAY-271933

>  <BAR_CODE_NO> (5,525)
397816

$$$$
WAY-271935
csChFnd80/06171916332D

 21 24  0  0  0  0  0  0  0  0999 V2000
    0.0036    0.2064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3308   -0.5798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3312   -0.5660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0036    1.7443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3239   -2.1177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6619    0.2064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3312   -2.1039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6519    0.2064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2481    2.6443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2519    2.6616    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0036   -2.8798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6619   -2.8798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9860   -0.5798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6619    1.7443    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6554   -2.8798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0036   -0.5660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6519    1.7443    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7860    4.1029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7554    4.1133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9860   -2.1177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0036   -2.1039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  2  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  2  0  0  0  0
  9 18  1  0  0  0  0
 10 19  1  0  0  0  0
 12 20  1  0  0  0  0
 15 21  1  0  0  0  0
  7 11  1  0  0  0  0
 13 20  1  0  0  0  0
 16 21  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (5,526)
5526

>  <Formula> (5,526)
C17H16O3S

>  <MolWeight> (5,526)
300.37214

>  <COMPOUND_NAME> (5,526)
WAY-271935

>  <BAR_CODE_NO> (5,526)
397818

$$$$
WAY-271946
csChFnd80/06171916332D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -0.9382    0.3626    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9382   -0.4753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3796    0.3626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2141    0.7799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2141   -0.8926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6624   -0.8926    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3796   -0.4753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0968    0.7799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5066    0.3626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2141    1.6178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5066   -0.4753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2141   -1.7270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1003   -0.8926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8244    0.3626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2342    0.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2342   -0.8926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2141   -2.5684    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8210   -0.4753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9583    0.3661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6790    0.7937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4101    0.3764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6790    1.6316    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1376    0.7971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8652    0.3902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  2  0  0  0  0
  9 15  1  0  0  0  0
 11 16  1  0  0  0  0
 12 17  3  0  0  0  0
 13 18  2  0  0  0  0
 15 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
  6  7  1  0  0  0  0
  9 11  2  0  0  0  0
 14 18  1  0  0  0  0
M  END
>  <Mol_ID> (5,527)
5527

>  <Formula> (5,527)
C18H17N3O3

>  <MolWeight> (5,527)
323.34588

>  <COMPOUND_NAME> (5,527)
WAY-271946

>  <BAR_CODE_NO> (5,527)
397829

$$$$
WAY-271998
csChFnd80/06171916332D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -4.1583    0.1458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7375    0.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2250    1.6375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2250    0.2958    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4458    0.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0875    0.9708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0125    0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0125    1.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7333    0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9583   -0.0667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5583    1.0833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8458   -0.7917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4458    1.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7333    1.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792   -0.4625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292   -0.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5542   -0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2042   -0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0292   -0.4875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.9750    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9625   -1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7917    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7875   -1.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1750   -0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5458    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  8  1  0  0  0  0
  4  7  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  9  2  0  0  0  0
  8 15  2  0  0  0  0
  9  5  1  0  0  0  0
 10  1  1  0  0  0  0
 11  6  1  0  0  0  0
 12  1  2  0  0  0  0
 13  1  2  0  0  0  0
 14  5  2  0  0  0  0
 15 14  1  0  0  0  0
 16 11  2  0  0  0  0
 17 18  1  0  0  0  0
 18 11  1  0  0  0  0
 19 17  1  0  0  0  0
 20 25  1  0  0  0  0
 21 20  1  0  0  0  0
 22 19  2  0  0  0  0
 23 19  1  0  0  0  0
 24 22  1  0  0  0  0
 25 23  2  0  0  0  0
 26 10  1  0  0  0  0
 27 10  1  0  0  0  0
  8  7  1  0  0  0  0
  3  2  2  0  0  0  0
 24 20  2  0  0  0  0
M  END
>  <Mol_ID> (5,528)
5528

>  <Formula> (5,528)
C17H16ClN3O4S2

>  <MolWeight> (5,528)
425.90964

>  <COMPOUND_NAME> (5,528)
WAY-271998

>  <BAR_CODE_NO> (5,528)
397881

$$$$
WAY-271999
csChFnd80/06171916332D

 17 18  0  0  0  0  0  0  0  0999 V2000
    1.8667   -1.3542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8667   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5792   -1.7625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5792   -0.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2917   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2917   -1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5792   -2.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1500    0.7083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5792    0.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8625   -2.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2917   -2.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417   -0.5292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5792   -4.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8625   -3.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2917   -3.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5792   -5.0542    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  7  2  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  3  1  0  0  0  0
  9  6  2  0  0  0  0
 10  4  2  0  0  0  0
 11  8  2  0  0  0  0
 12  8  1  0  0  0  0
 13  6  1  0  0  0  0
 14 16  1  0  0  0  0
 15 11  1  0  0  0  0
 16 12  2  0  0  0  0
 17 14  1  0  0  0  0
  5  4  1  0  0  0  0
 14 15  2  0  0  0  0
M  END
>  <Mol_ID> (5,529)
5529

>  <Formula> (5,529)
C11H7ClN2O3

>  <MolWeight> (5,529)
250.63788

>  <COMPOUND_NAME> (5,529)
WAY-271999

>  <BAR_CODE_NO> (5,529)
397882

$$$$
WAY-272053
csChFnd80/06171916332D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -1.5070   -0.1518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8277   -0.5932    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2863   -0.2622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2691    0.6482    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1587   -0.1346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7967   -1.4346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8380    0.3275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5967   -1.0242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4277    0.6585    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6033   -0.3725    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5380   -1.8415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6277    0.2171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3863   -1.1725    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2033    0.1861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9380   -0.5346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9827   -0.0415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5930    0.4965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1827   -0.7932    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3827    0.2654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4413    1.2965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9723    0.8068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0240    1.8378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8137    1.6171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  2  0  0  0  0
 10 14  1  0  0  0  0
 12 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 17 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
  5  9  2  0  0  0  0
 13 15  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (5,530)
5530

>  <Formula> (5,530)
C17H16N4OS

>  <MolWeight> (5,530)
324.40014

>  <COMPOUND_NAME> (5,530)
WAY-272053

>  <BAR_CODE_NO> (5,530)
397938

$$$$
WAY-272061
csChFnd80/06171916332D

 27 29  0  0  0  0  0  0  0  0999 V2000
    1.7917    0.3583    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5167   -1.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6125    0.3583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2292   -2.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8000   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0792    0.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2542    0.3708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5167   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4917   -0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9750    0.3583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7917    1.1750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0292   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0167    1.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8000   -2.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3167   -0.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8417    1.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8500   -0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4917    1.0875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1625   -1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0875   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4917   -1.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7792   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0875   -1.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0375   -1.8167    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.8875   -2.5042    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3667   -2.9750    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.8000   -2.9500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  8  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7 16  1  0  0  0  0
  8  5  2  0  0  0  0
  9  6  1  0  0  0  0
 10  1  2  0  0  0  0
 11  1  2  0  0  0  0
 12  3  1  0  0  0  0
 13  3  1  0  0  0  0
 14 23  1  0  0  0  0
 15  9  1  0  0  0  0
 16 13  1  0  0  0  0
 17 12  1  0  0  0  0
 18  6  2  0  0  0  0
 19  9  2  0  0  0  0
 20  5  1  0  0  0  0
 21 15  1  0  0  0  0
 22 19  1  0  0  0  0
 23 20  2  0  0  0  0
 24  4  1  0  0  0  0
 25  4  1  0  0  0  0
 26  4  1  0  0  0  0
 27 14  1  0  0  0  0
 17  7  1  0  0  0  0
  2 14  2  0  0  0  0
 22 21  2  0  0  0  0
M  END
>  <Mol_ID> (5,531)
5531

>  <Formula> (5,531)
C16H14ClF3N2O4S

>  <MolWeight> (5,531)
422.8065696

>  <COMPOUND_NAME> (5,531)
WAY-272061

>  <BAR_CODE_NO> (5,531)
397947

$$$$
WAY-272073
csChFnd80/06171916332D

 22 24  0  0  0  0  0  0  0  0999 V2000
    7.2783    2.3907    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4051    3.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6655    2.6045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7637    4.1372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1448    4.3509    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0210    3.2685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5160    1.5221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8813    5.2257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8918    4.7724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2679    2.8182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5215    5.0119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7674    1.0945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8808    2.6045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.7112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1794    3.9067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6376    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0066    0.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3953    6.5491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9031    1.7358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3714    1.2810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5438    4.1205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4201    3.0320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  2  0  0  0  0
  8  4  2  0  0  0  0
  9  2  2  0  0  0  0
 10  4  1  0  0  0  0
 11  8  1  0  0  0  0
 12  1  1  0  0  0  0
 13 10  2  0  0  0  0
 14 13  1  0  0  0  0
 15  3  1  0  0  0  0
 16 12  1  0  0  0  0
 17 16  1  0  0  0  0
 18  8  1  0  0  0  0
 19  7  1  0  0  0  0
 20 13  1  0  0  0  0
 21 15  2  0  0  0  0
 22 21  1  0  0  0  0
  7 17  1  0  0  0  0
 19 22  2  0  0  0  0
 11 14  2  0  0  0  0
M  END
>  <Mol_ID> (5,532)
5532

>  <Formula> (5,532)
C19H21NO2

>  <MolWeight> (5,532)
295.37554

>  <COMPOUND_NAME> (5,532)
WAY-272073

>  <BAR_CODE_NO> (5,532)
397959

$$$$
WAY-272075
csChFnd80/06171916332D

 28 30  0  0  0  0  0  0  0  0999 V2000
   14.0098    1.4368    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   15.3980    1.4577    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.0759    2.6446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5091    3.9357    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5706    1.4577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4364    2.7904    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.9889    2.8413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0098    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6978    2.6099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1240    2.5891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4221    1.3952    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.5271    4.8404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4067    3.8316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7696    4.1671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5030    2.5891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4221    3.7969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8719    0.2429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9066    2.6238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1171    5.0093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2110    3.7969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6456    3.8061    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8149    1.3952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3235    2.6099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.8802    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.5377    4.9885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4975    0.2106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4975    2.6099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4206    1.3744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  1  2  0  0  0  0
  8  1  2  0  0  0  0
  9 11  1  0  0  0  0
 10 15  2  0  0  0  0
 11 22  1  0  0  0  0
 12  4  1  0  0  0  0
 13 19  2  0  0  0  0
 14  6  1  0  0  0  0
 15 20  1  0  0  0  0
 16  9  2  0  0  0  0
 17  5  2  0  0  0  0
 18  5  1  0  0  0  0
 19 25  1  0  0  0  0
 20 21  1  0  0  0  0
 21 23  1  0  0  0  0
 22 27  1  0  0  0  0
 23  9  1  0  0  0  0
 24 13  1  0  0  0  0
 25 20  2  0  0  0  0
 26 17  1  0  0  0  0
 27 18  2  0  0  0  0
 28 10  1  0  0  0  0
 22 26  2  0  0  0  0
 14 12  2  0  0  0  0
 10 13  1  0  0  0  0
M  END
>  <Mol_ID> (5,533)
5533

>  <Formula> (5,533)
C18H16BrN3O4S2

>  <MolWeight> (5,533)
482.37134

>  <COMPOUND_NAME> (5,533)
WAY-272075

>  <BAR_CODE_NO> (5,533)
397961

$$$$
WAY-272076
csChFnd80/06171916332D

 28 30  0  0  0  0  0  0  0  0999 V2000
   12.6530    1.4442    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.0501    1.4634    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.7326    2.6637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1678    3.9474    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2131    1.4634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1168    2.8177    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.6530    2.8691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6530    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8434    3.6714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3372    2.5824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0668    1.4014    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.1819    4.8524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2341    3.7291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4314    4.1849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0967    4.8716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1930    2.4454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0218    3.7891    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5285    0.2311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5606    2.6573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6868    4.8267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9401    2.5567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4489    1.4014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7895    2.4198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1528    0.2118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1528    2.6337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7407    6.1147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1391    1.1489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  1  2  0  0  0  0
  8  1  2  0  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 11 22  1  0  0  0  0
 12  4  1  0  0  0  0
 13 21  1  0  0  0  0
 14  6  1  0  0  0  0
 15  9  2  0  0  0  0
 16  9  1  0  0  0  0
 17 10  2  0  0  0  0
 18  5  2  0  0  0  0
 19  5  1  0  0  0  0
 20 15  1  0  0  0  0
 21 10  1  0  0  0  0
 22 25  1  0  0  0  0
 23 16  2  0  0  0  0
 24 18  1  0  0  0  0
 25 19  2  0  0  0  0
 26 23  1  0  0  0  0
 27 15  1  0  0  0  0
 28 23  1  0  0  0  0
 22 24  2  0  0  0  0
 14 12  2  0  0  0  0
 26 20  2  0  0  0  0
M  END
>  <Mol_ID> (5,534)
5534

>  <Formula> (5,534)
C19H19N3O4S2

>  <MolWeight> (5,534)
417.50186

>  <COMPOUND_NAME> (5,534)
WAY-272076

>  <BAR_CODE_NO> (5,534)
397962

$$$$
WAY-272077
csChFnd80/06171916332D

 20 21  0  0  0  0  0  0  0  0999 V2000
   10.6742    1.1319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2664    1.1319    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4985    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5641    2.2923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4985    2.2673    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.1747    2.2923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9427    2.2154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4406    3.4845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8411    0.4347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2221    3.4694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8411    1.8342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3255    2.2656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2513    3.5062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0127    3.4694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9377    4.6649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3255    4.6649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2706    0.9832    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7808    3.5313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8929    0.9781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7 12  2  0  0  0  0
  8  6  2  0  0  0  0
  9  3  1  0  0  0  0
 10 15  2  0  0  0  0
 11  5  1  0  0  0  0
 12 14  1  0  0  0  0
 13  4  2  0  0  0  0
 14  8  1  0  0  0  0
 15 16  1  0  0  0  0
 16 14  2  0  0  0  0
 17  7  1  0  0  0  0
 18 10  1  0  0  0  0
 19 17  1  0  0  0  0
 20 18  1  0  0  0  0
 11  9  2  0  0  0  0
  7 10  1  0  0  0  0
M  END
>  <Mol_ID> (5,535)
5535

>  <Formula> (5,535)
C14H14N2O3S

>  <MolWeight> (5,535)
290.33756

>  <COMPOUND_NAME> (5,535)
WAY-272077

>  <BAR_CODE_NO> (5,535)
397963

$$$$
WAY-272117
csChFnd80/06171916332D

 28 31  0  0  0  0  0  0  0  0999 V2000
    7.1654    4.0590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9994    4.7078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9994    3.2604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3462    2.8764    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.2929    5.1328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4363    4.1289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7429    2.5336    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4946    4.7078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7429    5.4449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2736    1.3551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4946    3.2604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2617    4.9850    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0622    2.6629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2524    5.4449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9537    3.1536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5429    4.5148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7564    3.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6809    6.3914    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2996    6.6255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6024    0.6036    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.3701    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.6143    0.9629    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2524    2.5336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1421    3.5499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.7078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9183    4.9029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6064    5.3915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  1  0  0  0  0
  7  3  2  0  0  0  0
  8  9  1  0  0  0  0
  9  2  2  0  0  0  0
 10 13  1  0  0  0  0
 11  7  1  0  0  0  0
 12  6  1  0  0  0  0
 13 17  2  0  0  0  0
 14  8  1  0  0  0  0
 15  6  2  0  0  0  0
 16 12  1  0  0  0  0
 17 16  1  0  0  0  0
 18  5  1  0  0  0  0
 19 14  2  0  0  0  0
 20 10  1  0  0  0  0
 21 10  1  0  0  0  0
 22 10  1  0  0  0  0
 23 11  1  0  0  0  0
 24 27  2  0  0  0  0
 25 14  1  0  0  0  0
 26 23  1  0  0  0  0
 27 28  1  0  0  0  0
 28 16  2  0  0  0  0
  2  3  1  0  0  0  0
  8 11  2  0  0  0  0
 13 24  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (5,536)
5536

>  <Formula> (5,536)
C19H14F3N3O2S

>  <MolWeight> (5,536)
405.3935696

>  <COMPOUND_NAME> (5,536)
WAY-272117

>  <BAR_CODE_NO> (5,536)
398003

$$$$
WAY-272124
csChFnd80/06171916332D

 31 34  0  0  0  0  0  0  0  0999 V2000
    4.4917    2.0708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1375    1.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1375    0.2125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3292    0.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4917   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0167   -1.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7292   -2.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1542   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9042    2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7292   -5.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8667   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5917   -1.5375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7417    0.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0167   -4.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1542   -2.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9042   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6875    0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6875    1.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8792   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4542   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7292   -0.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8667   -6.4792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0042   -6.4792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2917   -4.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9042    3.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4542    2.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8792    2.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5917    0.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1542   -7.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5792   -6.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -2.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6 12  1  0  0  0  0
  7  6  1  0  0  0  0
  8 11  1  0  0  0  0
  9  2  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12 19  1  0  0  0  0
 13  4  1  0  0  0  0
 14  7  2  0  0  0  0
 15  7  1  0  0  0  0
 16  3  1  0  0  0  0
 17 18  1  0  0  0  0
 18  9  2  0  0  0  0
 19 20  1  0  0  0  0
 20 13  2  0  0  0  0
 21  6  2  0  0  0  0
 22  8  1  0  0  0  0
 23 10  1  0  0  0  0
 24 11  1  0  0  0  0
 25  9  1  0  0  0  0
 26 13  1  0  0  0  0
 27 26  2  0  0  0  0
 28 27  1  0  0  0  0
 29 22  1  0  0  0  0
 30 23  1  0  0  0  0
 31 24  1  0  0  0  0
  3  5  1  0  0  0  0
 16 17  2  0  0  0  0
 19 28  2  0  0  0  0
 10  8  2  0  0  0  0
M  END
>  <Mol_ID> (5,537)
5537

>  <Formula> (5,537)
C24H23N3O4

>  <MolWeight> (5,537)
417.45712

>  <COMPOUND_NAME> (5,537)
WAY-272124

>  <BAR_CODE_NO> (5,537)
398010

$$$$
WAY-272130
csChFnd80/06171916332D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -1.4966    0.2832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9207   -0.0824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6345    0.9211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0966   -0.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3138    0.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9207   -0.7789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3207    0.9901    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1207    1.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5966    0.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0966   -0.7479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2862   -0.0824    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000    0.9314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5345   -1.1099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2724    0.2521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000   -0.4099    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6276    0.5211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0207   -0.6962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -0.0479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1034   -0.3686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4552    0.6418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6862    0.0038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1276   -1.0479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0276    0.9901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6483    0.6832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5655   -1.4306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7172   -1.3686    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
  6 13  2  0  0  0  0
  9 14  2  0  0  0  0
 11 15  1  0  0  0  0
 11 16  2  0  0  0  0
 11 17  2  0  0  0  0
 15 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  2  0  0  0  0
 21 24  2  0  0  0  0
 22 25  1  0  0  0  0
 22 26  2  0  0  0  0
  7  9  1  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (5,538)
5538

>  <Formula> (5,538)
C18H12N2O5S

>  <MolWeight> (5,538)
368.36328

>  <COMPOUND_NAME> (5,538)
WAY-272130

>  <BAR_CODE_NO> (5,538)
398016

$$$$
WAY-272153
csChFnd80/06171916332D

 20 22  0  0  0  0  0  0  0  0999 V2000
    6.8250   -4.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8250   -5.0750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.1042   -5.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5417   -3.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1042   -3.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3917   -4.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3917   -5.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2542   -4.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1042   -6.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5417   -3.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2542   -5.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6792   -3.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6792   -5.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5375   -5.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9667   -5.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9667   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9667   -5.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9667   -6.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5292   -6.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2500   -6.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  4  1  0  0  0  0
  9  3  2  0  0  0  0
 10  4  2  0  0  0  0
 11  8  1  0  0  0  0
 12  6  2  0  0  0  0
 13  7  2  0  0  0  0
 14 11  2  0  0  0  0
 15 11  1  0  0  0  0
 16 12  1  0  0  0  0
 17 16  2  0  0  0  0
 18 15  2  0  0  0  0
 19 14  1  0  0  0  0
 20 18  1  0  0  0  0
  7  3  1  0  0  0  0
 17 13  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (5,539)
5539

>  <Formula> (5,539)
C16H11NO2S

>  <MolWeight> (5,539)
281.32904

>  <COMPOUND_NAME> (5,539)
WAY-272153

>  <BAR_CODE_NO> (5,539)
398039

$$$$
WAY-272157
csChFnd80/06171916332D

 25 27  0  0  0  0  0  0  0  0999 V2000
    6.8125   -3.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8125   -3.8417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0917   -4.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5292   -2.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0917   -2.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3792   -3.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3792   -3.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2417   -3.0167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2375   -6.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2375   -5.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0917   -5.0792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5292   -1.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9542   -6.7250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2417   -3.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5167   -5.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9542   -5.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5250   -6.7167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9542   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5250   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6667   -2.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6667   -4.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5250   -7.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9542   -3.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8042   -7.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9542   -3.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  4  1  0  0  0  0
  9 10  1  0  0  0  0
 10 15  2  0  0  0  0
 11  3  2  0  0  0  0
 12  4  2  0  0  0  0
 13  9  2  0  0  0  0
 14  8  1  0  0  0  0
 15 19  1  0  0  0  0
 16 18  2  0  0  0  0
 17  9  1  0  0  0  0
 18 14  1  0  0  0  0
 19 14  2  0  0  0  0
 20  6  2  0  0  0  0
 21  7  2  0  0  0  0
 22 17  1  0  0  0  0
 23 20  1  0  0  0  0
 24 22  1  0  0  0  0
 25 23  2  0  0  0  0
  7  3  1  0  0  0  0
 21 25  1  0  0  0  0
 16 10  1  0  0  0  0
M  END
>  <Mol_ID> (5,540)
5540

>  <Formula> (5,540)
C19H15NO4S

>  <MolWeight> (5,540)
353.3917

>  <COMPOUND_NAME> (5,540)
WAY-272157

>  <BAR_CODE_NO> (5,540)
398043

$$$$
WAY-272159
csChFnd80/06171916332D

 19 21  0  0  0  0  0  0  0  0999 V2000
    8.4417    4.1042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1042    4.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8125    6.0292    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.1042    7.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4417    7.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2250    6.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1667    1.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6667    7.9542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.6667    4.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1792    8.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000    7.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5792    1.2958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000    4.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5042   11.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042    7.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4792   12.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042   11.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8  6  1  0  0  0  0
  9  6  2  0  0  0  0
 10  4  1  0  0  0  0
 11  8  1  0  0  0  0
 12  7  2  0  0  0  0
 13  9  1  0  0  0  0
 14  7  1  0  0  0  0
 15 10  2  0  0  0  0
 16 10  1  0  0  0  0
 17 16  2  0  0  0  0
 18 15  1  0  0  0  0
 19 17  1  0  0  0  0
  4  5  1  0  0  0  0
 13 11  2  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (5,541)
5541

>  <Formula> (5,541)
C15H14N2OS

>  <MolWeight> (5,541)
270.34946

>  <COMPOUND_NAME> (5,541)
WAY-272159

>  <BAR_CODE_NO> (5,541)
398045

$$$$
WAY-272160
csChFnd80/06171916332D

 24 27  0  0  0  0  0  0  0  0999 V2000
    9.1250    6.9292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0125    7.5792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7875    4.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3750    8.6750    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.0125    9.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1250   10.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3250    3.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5667    8.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500   11.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7667    1.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8792   10.4375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9792    4.3792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1292    3.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8792    6.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8542    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000    9.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000    7.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500    1.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4792   13.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2875   10.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7417   13.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542   11.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7250   14.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   14.9792    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  2  0  0  0  0
  6  4  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  1  0  0  0  0
  9  5  1  0  0  0  0
 10  7  1  0  0  0  0
 11  8  1  0  0  0  0
 12  3  2  0  0  0  0
 13  7  2  0  0  0  0
 14  8  2  0  0  0  0
 15 10  1  0  0  0  0
 16 11  1  0  0  0  0
 17 14  1  0  0  0  0
 18 13  1  0  0  0  0
 19  9  2  0  0  0  0
 20  9  1  0  0  0  0
 21 22  1  0  0  0  0
 22 20  2  0  0  0  0
 23 19  1  0  0  0  0
 24 21  1  0  0  0  0
  5  6  1  0  0  0  0
 17 16  2  0  0  0  0
 18 15  2  0  0  0  0
 23 21  2  0  0  0  0
M  END
>  <Mol_ID> (5,542)
5542

>  <Formula> (5,542)
C18H13ClN2O3

>  <MolWeight> (5,542)
340.76042

>  <COMPOUND_NAME> (5,542)
WAY-272160

>  <BAR_CODE_NO> (5,542)
398046

$$$$
WAY-272172
csChFnd80/06171916332D

 23 25  0  0  0  0  0  0  0  0999 V2000
    9.9042    3.3125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0167    3.8958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0042    4.8542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.0167    5.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9042    6.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9500    4.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4875    1.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4750    6.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1125    6.4042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.7292    8.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1042   10.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1125    3.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3625    9.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000    5.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4292    1.0458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7250    6.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000    3.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1042    7.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3667   11.9792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042   10.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1917    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8167   13.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8  4  1  0  0  0  0
  9  6  1  0  0  0  0
 10  8  2  0  0  0  0
 11 10  1  0  0  0  0
 12  6  2  0  0  0  0
 13 18  1  0  0  0  0
 14  9  1  0  0  0  0
 15  7  2  0  0  0  0
 16  8  1  0  0  0  0
 17 12  1  0  0  0  0
 18 16  2  0  0  0  0
 19 11  1  0  0  0  0
 20 13  1  0  0  0  0
 21  7  1  0  0  0  0
 22 19  1  0  0  0  0
 23 20  1  0  0  0  0
  4  5  1  0  0  0  0
 17 14  2  0  0  0  0
 11 13  2  0  0  0  0
M  END
>  <Mol_ID> (5,543)
5543

>  <Formula> (5,543)
C17H18N2O3S

>  <MolWeight> (5,543)
330.40142

>  <COMPOUND_NAME> (5,543)
WAY-272172

>  <BAR_CODE_NO> (5,543)
398058

$$$$
WAY-272185
csChFnd80/06171916332D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -0.4333   -0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1500   -1.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292   -1.3667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.8708   -0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0500   -0.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333   -0.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7500    2.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5958   -1.3667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292   -2.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292    2.4333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -2.6292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8708   -0.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1500    0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7500    3.6958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0500   -0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1500   -2.2042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292    1.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667    0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042    0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7500    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3333   -0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -3.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4667    2.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0500   -2.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5958    0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3333   -0.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292   -3.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0500   -3.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7 10  1  0  0  0  0
  8  4  1  0  0  0  0
  9  3  1  0  0  0  0
 10 17  1  0  0  0  0
 11  9  2  0  0  0  0
 12 13  1  0  0  0  0
 13  6  2  0  0  0  0
 14  7  2  0  0  0  0
 15  5  1  0  0  0  0
 16  2  1  0  0  0  0
 17 21  1  0  0  0  0
 18 15  2  0  0  0  0
 19 15  1  0  0  0  0
 20 18  1  0  0  0  0
 21 19  2  0  0  0  0
 22  8  2  0  0  0  0
 23 11  1  0  0  0  0
 24  7  1  0  0  0  0
 25  9  1  0  0  0  0
 26 12  1  0  0  0  0
 27 26  2  0  0  0  0
 28 29  1  0  0  0  0
 29 25  2  0  0  0  0
  4 12  2  0  0  0  0
 22 27  1  0  0  0  0
 23 28  2  0  0  0  0
 17 20  2  0  0  0  0
M  END
>  <Mol_ID> (5,544)
5544

>  <Formula> (5,544)
C23H20N4O2

>  <MolWeight> (5,544)
384.4305

>  <COMPOUND_NAME> (5,544)
WAY-272185

>  <BAR_CODE_NO> (5,544)
398071

$$$$
WAY-272277
csChFnd80/06171916332D

 31 34  0  0  0  0  0  0  0  0999 V2000
   11.5358    6.4369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7150    6.4735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9773    7.1365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9194    5.6974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3315    7.2014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2761    5.7722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5912    7.8620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7996    7.1059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4684    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7663    7.8945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6650    5.0449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2343    7.8030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3811    8.6239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5535    8.6580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8303    9.3211    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7208   11.2815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7197   10.4607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4366   10.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4348   11.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1481   11.2810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1484   10.4610    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9281   10.2066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4123   10.8652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9276   11.5358    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2391   10.8239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6219   10.0922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4479   10.0589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8930   10.7637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5061   11.4866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6773   11.5205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   11.6926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  2  0  0  0  0
  7 10  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 21  1  0  0  0  0
 20 19  1  0  0  0  0
 19 16  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 20  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 25  1  0  0  0  0
 16 31  1  0  0  0  0
 27 15  1  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <Mol_ID> (5,545)
5545

>  <Formula> (5,545)
C24H23N3O4

>  <MolWeight> (5,545)
417.45712

>  <COMPOUND_NAME> (5,545)
WAY-272277

>  <BAR_CODE_NO> (5,545)
398164

$$$$
WAY-272278
csChFnd80/06171916332D

 26 29  0  0  0  0  0  0  0  0999 V2000
    4.4330    9.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4091    8.3445    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2815    8.5914    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8876    7.0199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6853    2.7253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5469    7.1953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4392    2.0630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4330   10.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1277    9.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8530    1.9915    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5522    5.7645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2815   11.4921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1277   10.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2554    2.7945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6853    4.1930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5384    3.2515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8530    4.5068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2900    4.1930    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4300    0.6646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9022    5.7645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5414    4.5068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2815   12.9251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8768    3.2515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0346    2.1092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2069    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5 10  1  0  0  0  0
  6  3  1  0  0  0  0
  7  5  1  0  0  0  0
  8  1  1  0  0  0  0
  9  3  1  0  0  0  0
 10 16  1  0  0  0  0
 11  4  1  0  0  0  0
 12  8  2  0  0  0  0
 13 12  1  0  0  0  0
 14  7  2  0  0  0  0
 15  5  2  0  0  0  0
 16 17  1  0  0  0  0
 17 11  2  0  0  0  0
 18 14  1  0  0  0  0
 19  7  1  0  0  0  0
 20 11  1  0  0  0  0
 21 20  2  0  0  0  0
 22 12  1  0  0  0  0
 23 21  1  0  0  0  0
 24 14  1  0  0  0  0
 25 19  2  0  0  0  0
 26 25  1  0  0  0  0
  4  6  2  0  0  0  0
 13  9  2  0  0  0  0
 23 16  2  0  0  0  0
 24 26  2  0  0  0  0
M  END
>  <Mol_ID> (5,546)
5546

>  <Formula> (5,546)
C21H16FN3O

>  <MolWeight> (5,546)
345.3696432

>  <COMPOUND_NAME> (5,546)
WAY-272278

>  <BAR_CODE_NO> (5,546)
398165

$$$$
WAY-272288
csChFnd80/06171916332D

 22 24  0  0  0  0  0  0  0  0999 V2000
    6.4917   -1.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5417   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4625   -5.0167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5042   -3.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2292   -1.4375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4375   -0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792   -3.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4167   -3.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792   -1.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5417    2.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8042   -3.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -1.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5792   -5.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2292   -5.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292   -5.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292   -0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -5.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7750    0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4167   -7.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208   -3.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208   -1.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8042   -7.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  2  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  2  0  0  0  0
  7  9  1  0  0  0  0
  8  5  1  0  0  0  0
  9  6  1  0  0  0  0
 10  2  2  0  0  0  0
 11  8  1  0  0  0  0
 12 11  1  0  0  0  0
 13  4  1  0  0  0  0
 14  8  2  0  0  0  0
 15  7  2  0  0  0  0
 16  9  2  0  0  0  0
 17 11  2  0  0  0  0
 18 12  1  0  0  0  0
 19 14  1  0  0  0  0
 20 21  2  0  0  0  0
 21 16  1  0  0  0  0
 22 19  2  0  0  0  0
  7  3  1  0  0  0  0
 15 20  1  0  0  0  0
 17 22  1  0  0  0  0
M  END
>  <Mol_ID> (5,547)
5547

>  <Formula> (5,547)
C18H16N2O2

>  <MolWeight> (5,547)
292.33184

>  <COMPOUND_NAME> (5,547)
WAY-272288

>  <BAR_CODE_NO> (5,547)
398175

$$$$
WAY-272293
csChFnd80/06171916332D

 19 20  0  0  0  0  0  0  0  0999 V2000
    3.2772    2.9128    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8947    2.8507    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6523    4.2567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2610    1.9183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4734    5.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3803    4.1603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5706    2.2720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8816    0.6130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9090    1.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5545    1.2796    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6345    3.3308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2753    0.9924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9272    0.6387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2563    2.9771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6290    2.3406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0005    4.7711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.5782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9881    4.7390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2677    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  2  0  0  0  0
  6  2  2  0  0  0  0
  7  4  1  0  0  0  0
  8  4  2  0  0  0  0
  9 10  1  0  0  0  0
 10  7  1  0  0  0  0
 11 14  2  0  0  0  0
 12 13  1  0  0  0  0
 13  9  2  0  0  0  0
 14  9  1  0  0  0  0
 15 11  1  0  0  0  0
 16  3  1  0  0  0  0
 17  6  1  0  0  0  0
 18 11  1  0  0  0  0
 19 12  1  0  0  0  0
  5  6  1  0  0  0  0
 15 12  2  0  0  0  0
M  END
>  <Mol_ID> (5,548)
5548

>  <Formula> (5,548)
C15H18N2O2

>  <MolWeight> (5,548)
258.31562

>  <COMPOUND_NAME> (5,548)
WAY-272293

>  <BAR_CODE_NO> (5,548)
398180

$$$$
WAY-272302
csChFnd80/06171916332D

 28 31  0  0  0  0  0  0  0  0999 V2000
    9.7042   -7.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5042   -6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9042   -8.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3625   -8.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0167   -7.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0792   -6.3667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.1750   -7.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0042   -9.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2875   -5.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1792   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7250   -5.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0542   -8.3792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5667   -9.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9792   -9.9667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3625   -3.9167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8042   -4.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6500   -3.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7375   -6.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4000   -8.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7625   -4.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -5.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8000   -5.9042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2000   -4.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7875  -10.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4292   -3.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4167   -5.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8125   -2.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4292   -2.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  6  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  4  2  0  0  0  0
  8  4  1  0  0  0  0
  9  2  1  0  0  0  0
 10  6  1  0  0  0  0
 11  9  1  0  0  0  0
 12  7  1  0  0  0  0
 13  8  2  0  0  0  0
 14  3  2  0  0  0  0
 15 11  1  0  0  0  0
 16 10  1  0  0  0  0
 17  9  2  0  0  0  0
 18 11  2  0  0  0  0
 19  5  1  0  0  0  0
 20 15  1  0  0  0  0
 21 18  1  0  0  0  0
 22 16  1  0  0  0  0
 23 10  2  0  0  0  0
 24 13  1  0  0  0  0
 25 16  2  0  0  0  0
 26 22  1  0  0  0  0
 27 23  1  0  0  0  0
 28 27  2  0  0  0  0
  2  5  2  0  0  0  0
 13 12  1  0  0  0  0
 25 28  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (5,549)
5549

>  <Formula> (5,549)
C20H16N2O6

>  <MolWeight> (5,549)
380.35084

>  <COMPOUND_NAME> (5,549)
WAY-272302

>  <BAR_CODE_NO> (5,549)
398189

$$$$
WAY-272319
csChFnd80/06171916332D

 14 15  0  0  0  0  0  0  0  0999 V2000
    1.3875   -1.8917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3875   -2.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9417   -1.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042   -2.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9417   -2.8667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042   -1.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9417   -0.9167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167   -2.8750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042   -0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0750   -0.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042    0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0750    0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6417   -0.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6417    0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  6  2  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  3  1  0  0  0  0
  8  2  2  0  0  0  0
  9  7  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
 12 11  2  0  0  0  0
 13 10  1  0  0  0  0
 14 12  1  0  0  0  0
  5  4  1  0  0  0  0
 13 14  2  0  0  0  0
M  END
>  <Mol_ID> (5,550)
5550

>  <Formula> (5,550)
C9H8N4O

>  <MolWeight> (5,550)
188.18602

>  <COMPOUND_NAME> (5,550)
WAY-272319

>  <BAR_CODE_NO> (5,550)
398206

$$$$
WAY-272324
csChFnd80/06171916332D

 23 25  0  0  0  0  0  0  0  0999 V2000
    6.2417   -0.7792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6542   -2.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5792   -1.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9125   -1.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9125   -4.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8292   -2.0417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.1417   -2.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000   -3.6417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8042   -3.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2000   -4.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2000   -5.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6667   -4.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9167   -6.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2167   -4.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8000   -1.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000   -1.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6292   -5.6917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9167   -6.9292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4875   -4.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4875   -6.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2000   -7.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7667   -4.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7667   -5.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  8  1  0  0  0  0
  6  3  1  0  0  0  0
  7  2  2  0  0  0  0
  8  9  1  0  0  0  0
  9  7  1  0  0  0  0
 10  5  1  0  0  0  0
 11 10  1  0  0  0  0
 12 14  1  0  0  0  0
 13 11  1  0  0  0  0
 14  9  2  0  0  0  0
 15  3  2  0  0  0  0
 16  4  2  0  0  0  0
 17 13  2  0  0  0  0
 18 13  1  0  0  0  0
 19 10  2  0  0  0  0
 20 11  2  0  0  0  0
 21 18  1  0  0  0  0
 22 19  1  0  0  0  0
 23 22  2  0  0  0  0
  6  2  1  0  0  0  0
 12  5  2  0  0  0  0
 20 23  1  0  0  0  0
M  END
>  <Mol_ID> (5,551)
5551

>  <Formula> (5,551)
C16H11NO5S

>  <MolWeight> (5,551)
329.32724

>  <COMPOUND_NAME> (5,551)
WAY-272324

>  <BAR_CODE_NO> (5,551)
398211

$$$$
WAY-272326
csChFnd80/06171916332D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -0.4618   -0.0265    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4618   -0.3403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1555   -0.8748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1204    0.9735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4618   -1.4024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3721    0.1804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1934   -1.0369    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4618   -1.7300    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9141    1.1873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3721   -1.9265    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2928   -0.3541    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3721    1.2355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0313   -2.0783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1796   -0.6610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2555    2.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6210    0.4114    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2928   -1.4024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3721   -2.9886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8520   -2.7369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9934   -1.3265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5589    2.9804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2831    2.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2445   -1.9058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8382   -2.3507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8865    3.9769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6244    3.4045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9003    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  9 15  1  0  0  0  0
  9 16  2  0  0  0  0
 10 17  1  0  0  0  0
 10 18  1  0  0  0  0
 13 19  1  0  0  0  0
 14 20  1  0  0  0  0
 15 21  2  0  0  0  0
 15 22  1  0  0  0  0
 17 23  2  0  0  0  0
 19 24  1  0  0  0  0
 21 25  1  0  0  0  0
 22 26  2  0  0  0  0
 25 27  2  0  0  0  0
  5  8  1  0  0  0  0
 11 17  1  0  0  0  0
 20 24  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (5,552)
5552

>  <Formula> (5,552)
C19H21N5O3

>  <MolWeight> (5,552)
367.40174

>  <COMPOUND_NAME> (5,552)
WAY-272326

>  <BAR_CODE_NO> (5,552)
398729

$$$$
WAY-272327
csChFnd80/06171916332D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -0.4605   -0.0270    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4605   -0.3408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1567   -0.8684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1191    0.9730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4605   -1.4029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3709    0.1799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1878   -1.0374    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4605   -1.7305    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9153    1.1868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3709   -1.9270    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2847   -0.3477    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3709    1.2350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1740   -0.6546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0326   -2.0788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2567    2.1902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6153    0.4109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2847   -1.4029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3709   -2.9891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9878   -1.3270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8464   -2.7305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2843    2.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5602    2.9799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2433   -1.9063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8326   -2.3512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6188    3.4040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8878    3.9695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9016    4.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  9 15  1  0  0  0  0
  9 16  2  0  0  0  0
 10 17  1  0  0  0  0
 10 18  1  0  0  0  0
 13 19  1  0  0  0  0
 14 20  1  0  0  0  0
 15 21  1  0  0  0  0
 15 22  2  0  0  0  0
 17 23  2  0  0  0  0
 19 24  1  0  0  0  0
 21 25  2  0  0  0  0
 22 26  1  0  0  0  0
 25 27  1  0  0  0  0
  5  8  1  0  0  0  0
 11 17  1  0  0  0  0
 20 24  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <Mol_ID> (5,553)
5553

>  <Formula> (5,553)
C18H19N5O4

>  <MolWeight> (5,553)
369.37456

>  <COMPOUND_NAME> (5,553)
WAY-272327

>  <BAR_CODE_NO> (5,553)
398213

$$$$
WAY-272351
csChFnd80/06171916332D

 23 26  0  0  0  0  0  0  0  0999 V2000
   -2.9458    1.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3625    0.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4458    2.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2833    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3583    2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7708    1.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0333    1.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8625    0.0833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0250    3.2458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6833    1.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5333    0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6875   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8458    3.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6250    0.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7583    3.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6000   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1667    2.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0917    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1375    0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208    1.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6917    1.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7750    0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1917    1.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  2  0  0  0  0
  9  3  2  0  0  0  0
 10  6  2  0  0  0  0
 11  7  1  0  0  0  0
 12  4  2  0  0  0  0
 13  5  2  0  0  0  0
 14 11  1  0  0  0  0
 15 13  1  0  0  0  0
 16 12  1  0  0  0  0
 17 15  2  0  0  0  0
 18 10  1  0  0  0  0
 19 14  2  0  0  0  0
 20 14  1  0  0  0  0
 21 20  2  0  0  0  0
 22 19  1  0  0  0  0
 23 21  1  0  0  0  0
  6  4  1  0  0  0  0
 17 10  1  0  0  0  0
 18 16  2  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (5,554)
5554

>  <Formula> (5,554)
C20H15NO2

>  <MolWeight> (5,554)
301.3386

>  <COMPOUND_NAME> (5,554)
WAY-272351

>  <BAR_CODE_NO> (5,554)
398237

$$$$
WAY-272415-A
csChFnd80/06171916332D

 16 17  0  0  0  0  0  0  0  0999 V2000
    6.5542   -4.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9417   -3.4167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667   -4.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5042   -3.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7917   -4.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667   -3.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3792   -3.4167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.5042   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7792   -3.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3625   -4.6667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2250   -3.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6542   -3.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3667   -4.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6417   -4.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0917   -3.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7042   -3.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 12  1  0  0  0  0
  3  5  2  0  0  0  0
  4 11  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  2  0  0  0  0
  7  1  1  0  0  0  0
  8  4  2  0  0  0  0
  9  4  1  0  0  0  0
 10  3  1  0  0  0  0
 11  2  1  0  0  0  0
 12  7  1  0  0  0  0
 13  1  1  0  0  0  0
 14 10  1  0  0  0  0
 15  7  1  0  0  0  0
 16 13  1  0  0  0  0
 15 16  1  0  0  0  0
  6  3  1  0  0  0  0
M  END
>  <Mol_ID> (5,555)
5555

>  <Formula> (5,555)
C13H19NO2

>  <MolWeight> (5,555)
221.29546

>  <COMPOUND_NAME> (5,555)
WAY-272415

>  <BAR_CODE_NO> (5,555)
398301

$$$$
WAY-272432
csChFnd80/06171916332D

 26 28  0  0  0  0  0  0  0  0999 V2000
    1.9042   -0.5341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4939    0.1349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3767   -1.1548    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.7042   -0.5341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6939   -0.0341    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9042    0.8349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6353   -0.8341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1042    0.1349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7042    0.8556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0854   -1.2548    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9042    0.1142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7854   -0.8548    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.2939   -0.5755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4854   -0.4548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3854   -0.1548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1854   -1.5548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1146   -0.5755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1544   -0.8548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4854    0.3556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8544   -0.4548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1544    0.7556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8751    0.3556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5958    0.7556    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5958    1.5763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8958    1.9763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2958    1.9763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
 12 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 18  2  0  0  0  0
 14 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
  5  7  2  0  0  0  0
  8  9  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (5,556)
5556

>  <Formula> (5,556)
C17H17N3O4S2

>  <MolWeight> (5,556)
391.46458

>  <COMPOUND_NAME> (5,556)
WAY-272432

>  <BAR_CODE_NO> (5,556)
398318

$$$$
WAY-272441-A
csChFnd80/06171916332D

 18 19  0  0  0  0  0  0  0  0999 V2000
    4.3750   -0.7292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6500   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8917   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1292   -0.7375    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5042   -0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1417   -1.4542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0250   -0.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4542   -1.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6500    0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667    0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292    0.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5958   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1542   -1.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5042   -0.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  8  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  7  1  0  0  0  0
 10  1  1  0  0  0  0
 11  1  1  0  0  0  0
 12 14  2  0  0  0  0
 13  2  1  0  0  0  0
 14  3  1  0  0  0  0
 15 12  1  0  0  0  0
 16  5  1  0  0  0  0
 17 11  1  0  0  0  0
 18 10  1  0  0  0  0
 17 18  1  0  0  0  0
  5 15  2  0  0  0  0
M  END
>  <Mol_ID> (5,557)
5557

>  <Formula> (5,557)
C15H23NO2

>  <MolWeight> (5,557)
249.34862

>  <COMPOUND_NAME> (5,557)
WAY-272441

>  <BAR_CODE_NO> (5,557)
398328

$$$$
WAY-272449
csChFnd80/06171916332D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -1.2583   -3.4542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8917    2.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708    2.4458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2625   -1.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2625    0.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2750    0.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0500   -4.1917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2875   -4.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2458   -4.6542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5375   -1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5375    0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6292    3.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0625   -5.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3625   -6.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667   -7.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2750   -1.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4125   -8.5375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.5542    0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5542   -1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2333   -7.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375   -6.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667   -8.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  8  1  0  0  0  0
  3  6  1  0  0  0  0
  4  1  1  0  0  0  0
  5  7  1  0  0  0  0
  6 13  1  0  0  0  0
  7  4  2  0  0  0  0
  8  5  1  0  0  0  0
  9  1  1  0  0  0  0
 10  1  2  0  0  0  0
 11  1  2  0  0  0  0
 12  4  1  0  0  0  0
 13 12  2  0  0  0  0
 14  2  2  0  0  0  0
 15  9  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18  7  1  0  0  0  0
 19 17  1  0  0  0  0
 20 21  1  0  0  0  0
 21 18  2  0  0  0  0
 22 23  2  0  0  0  0
 23 15  1  0  0  0  0
 24 22  1  0  0  0  0
  6  5  2  0  0  0  0
 17 24  2  0  0  0  0
  2  3  1  0  0  0  0
  8 20  2  0  0  0  0
M  END
>  <Mol_ID> (5,558)
5558

>  <Formula> (5,558)
C17H11ClN2O3S

>  <MolWeight> (5,558)
358.79884

>  <COMPOUND_NAME> (5,558)
WAY-272449

>  <BAR_CODE_NO> (5,558)
398335

$$$$
WAY-272452
csChFnd80/06171916332D

 23 25  0  0  0  0  0  0  0  0999 V2000
    5.1167   -2.8542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.9792   -3.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9792   -2.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2500   -3.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7625   -2.6000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.4000   -3.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7625   -3.9292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8292   -2.4417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2667   -4.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5500   -2.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2667   -2.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5500   -3.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5375   -3.5750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6917   -2.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6792   -2.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0667   -3.2750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4042   -4.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9625   -3.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2667   -4.9167    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6917   -4.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9667   -4.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6667   -2.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125   -5.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  9  1  0  0  0  0
  3 11  1  0  0  0  0
  4  5  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  1  1  0  0  0  0
  9 12  2  0  0  0  0
 10  8  1  0  0  0  0
 11 10  2  0  0  0  0
 12 10  1  0  0  0  0
 13  1  2  0  0  0  0
 14  1  2  0  0  0  0
 15  6  2  0  0  0  0
 16  4  2  0  0  0  0
 17  6  1  0  0  0  0
 18 15  1  0  0  0  0
 19  9  1  0  0  0  0
 20 17  2  0  0  0  0
 21 20  1  0  0  0  0
 22 15  1  0  0  0  0
 23 20  1  0  0  0  0
  2  3  2  0  0  0  0
 21 18  2  0  0  0  0
  4  7  1  0  0  0  0
M  END
>  <Mol_ID> (5,559)
5559

>  <Formula> (5,559)
C15H12ClNO4S2

>  <MolWeight> (5,559)
369.84308

>  <COMPOUND_NAME> (5,559)
WAY-272452

>  <BAR_CODE_NO> (5,559)
398338

$$$$
WAY-272468
csChFnd80/06171916332D

 27 29  0  0  0  0  0  0  0  0999 V2000
   10.8792   -4.8792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9292   -5.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8417   -5.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2292   -6.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5292   -6.8542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.8167   -7.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5125   -7.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5292   -6.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3375   -8.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2750   -7.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1042   -5.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7750   -6.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5667   -8.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6667   -5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3667   -4.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5542   -3.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5750   -7.3542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8167   -2.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0292   -5.3542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6167   -9.6417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -2.0500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.6917   -1.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4292   -3.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8875   -1.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8542   -8.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7917   -5.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1417  -10.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  9  1  0  0  0  0
  7  4  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  2  0  0  0  0
 10  7  1  0  0  0  0
 11  2  1  0  0  0  0
 12 10  2  0  0  0  0
 13 10  1  0  0  0  0
 14  3  2  0  0  0  0
 15 11  1  0  0  0  0
 16 15  2  0  0  0  0
 17  6  1  0  0  0  0
 18 16  1  0  0  0  0
 19  8  1  0  0  0  0
 20  9  1  0  0  0  0
 21 18  1  0  0  0  0
 22 23  2  0  0  0  0
 23 15  1  0  0  0  0
 24 22  1  0  0  0  0
 25 17  1  0  0  0  0
 26 19  1  0  0  0  0
 27 20  1  0  0  0  0
  4  5  1  0  0  0  0
  8  6  2  0  0  0  0
 18 24  2  0  0  0  0
M  END
>  <Mol_ID> (5,560)
5560

>  <Formula> (5,560)
C19H17ClN2O4S

>  <MolWeight> (5,560)
404.86728

>  <COMPOUND_NAME> (5,560)
WAY-272468

>  <BAR_CODE_NO> (5,560)
398355

$$$$
WAY-272469
csChFnd80/06171916332D

 20 22  0  0  0  0  0  0  0  0999 V2000
   10.4542   -6.3667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5875   -7.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7625   -8.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3250   -7.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1542   -8.4917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.9667   -9.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6417   -9.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8625   -6.7667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7417  -10.4667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.0500   -6.7667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1417   -5.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5000   -9.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9625   -8.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4417   -5.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6417   -8.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7250   -3.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -3.3000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.4292   -3.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1417   -4.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7042   -2.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  2  0  0  0  0
  7  6  1  0  0  0  0
  8  2  1  0  0  0  0
  9  7  1  0  0  0  0
 10  4  2  0  0  0  0
 11  8  1  0  0  0  0
 12  9  1  0  0  0  0
 13  7  2  0  0  0  0
 14 11  2  0  0  0  0
 15 13  1  0  0  0  0
 16 14  1  0  0  0  0
 17 16  1  0  0  0  0
 18 19  2  0  0  0  0
 19 11  1  0  0  0  0
 20 18  1  0  0  0  0
  3  5  1  0  0  0  0
 15 12  2  0  0  0  0
 16 20  2  0  0  0  0
M  END
>  <Mol_ID> (5,561)
5561

>  <Formula> (5,561)
C14H9ClN2OS2

>  <MolWeight> (5,561)
320.81706

>  <COMPOUND_NAME> (5,561)
WAY-272469

>  <BAR_CODE_NO> (5,561)
398356

$$$$
WAY-272471
csChFnd80/06171916332D

 27 29  0  0  0  0  0  0  0  0999 V2000
    7.8967    6.6305    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0711    5.7914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7261    5.7914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1812    4.4054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6253    4.4054    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2177    3.6955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3571    3.2797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3953    6.2147    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0268    4.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7908    2.4143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9804    3.4258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6875    7.5839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1806    2.2926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4016    4.6901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4018    6.2147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0324    8.0166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8241    3.8416    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9817    1.2736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4480    6.1080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6536    8.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0607    7.0632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3283    9.3858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0508    6.2578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5679    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9458    9.8803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2738   10.3129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  9  2  0  0  0  0
  7  4  2  0  0  0  0
  8  2  1  0  0  0  0
  9 14  1  0  0  0  0
 10 13  2  0  0  0  0
 11  7  1  0  0  0  0
 12  8  1  0  0  0  0
 13 11  1  0  0  0  0
 14 11  2  0  0  0  0
 15  3  2  0  0  0  0
 16 12  2  0  0  0  0
 17  6  1  0  0  0  0
 18 10  1  0  0  0  0
 19  9  1  0  0  0  0
 20 12  1  0  0  0  0
 21 16  1  0  0  0  0
 22 16  1  0  0  0  0
 23 17  1  0  0  0  0
 24 19  1  0  0  0  0
 25 18  1  0  0  0  0
 26 20  2  0  0  0  0
 27 26  1  0  0  0  0
  4  5  1  0  0  0  0
  6 10  1  0  0  0  0
 22 27  2  0  0  0  0
M  END
>  <Mol_ID> (5,562)
5562

>  <Formula> (5,562)
C20H20N2O4S

>  <MolWeight> (5,562)
384.4488

>  <COMPOUND_NAME> (5,562)
WAY-272471

>  <BAR_CODE_NO> (5,562)
398358

$$$$
WAY-272472
csChFnd80/06171916332D

 27 29  0  0  0  0  0  0  0  0999 V2000
   10.9792   -4.7792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0125   -5.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9625   -5.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3417   -6.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6167   -6.7167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0167   -7.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6417   -7.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7167   -6.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5292   -8.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4292   -7.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1625   -5.1417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9375   -6.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7375   -8.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8125   -5.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4167   -3.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8042   -7.2125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5792   -3.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8250   -9.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2292   -5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8375   -2.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7542   -1.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5000   -3.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9292   -1.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1000   -8.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3375  -10.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0167   -5.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -2.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  9  1  0  0  0  0
  7  4  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  2  0  0  0  0
 10  7  1  0  0  0  0
 11  2  1  0  0  0  0
 12 10  2  0  0  0  0
 13 10  1  0  0  0  0
 14  3  2  0  0  0  0
 15 11  1  0  0  0  0
 16  6  1  0  0  0  0
 17 15  2  0  0  0  0
 18  9  1  0  0  0  0
 19  8  1  0  0  0  0
 20 17  1  0  0  0  0
 21 22  2  0  0  0  0
 22 15  1  0  0  0  0
 23 21  1  0  0  0  0
 24 16  1  0  0  0  0
 25 18  1  0  0  0  0
 26 19  1  0  0  0  0
 27 20  1  0  0  0  0
  4  5  1  0  0  0  0
  8  6  2  0  0  0  0
 20 23  2  0  0  0  0
M  END
>  <Mol_ID> (5,563)
5563

>  <Formula> (5,563)
C20H20N2O4S

>  <MolWeight> (5,563)
384.4488

>  <COMPOUND_NAME> (5,563)
WAY-272472

>  <BAR_CODE_NO> (5,563)
398359

$$$$
WAY-272473
csChFnd80/06171916332D

 30 32  0  0  0  0  0  0  0  0999 V2000
    9.0417   -5.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2042   -5.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8792   -5.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3292   -7.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7667   -7.3125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.7750   -1.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4000   -8.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5167   -8.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9667   -9.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2042   -6.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1417   -8.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5250   -5.5167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4417   -2.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5667   -7.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3542   -9.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5667   -5.5167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1542   -3.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8167   -4.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9750   -1.5375    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -2.7292    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.2917   -0.5792    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167   -7.8667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6292   -5.6167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1667  -10.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4000   -1.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0792   -1.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7875   -3.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1917   -9.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500  -11.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2417   -5.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6 13  1  0  0  0  0
  7  9  1  0  0  0  0
  8  4  2  0  0  0  0
  9 15  2  0  0  0  0
 10 14  1  0  0  0  0
 11  8  1  0  0  0  0
 12  2  1  0  0  0  0
 13 17  1  0  0  0  0
 14 11  2  0  0  0  0
 15 11  1  0  0  0  0
 16  3  2  0  0  0  0
 17 18  2  0  0  0  0
 18 12  1  0  0  0  0
 19  6  1  0  0  0  0
 20  6  1  0  0  0  0
 21  6  1  0  0  0  0
 22  7  1  0  0  0  0
 23 10  1  0  0  0  0
 24  9  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 18  1  0  0  0  0
 28 22  1  0  0  0  0
 29 24  1  0  0  0  0
 30 23  1  0  0  0  0
  5  4  1  0  0  0  0
  7 10  2  0  0  0  0
 25 13  2  0  0  0  0
M  END
>  <Mol_ID> (5,564)
5564

>  <Formula> (5,564)
C20H17F3N2O4S

>  <MolWeight> (5,564)
438.4201896

>  <COMPOUND_NAME> (5,564)
WAY-272473

>  <BAR_CODE_NO> (5,564)
398360

$$$$
WAY-272493
csChFnd80/06171916332D

 24 26  0  0  0  0  0  0  0  0999 V2000
   13.4875   -5.7667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.6750   -6.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3125   -6.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7667   -8.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2125   -8.0042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.4875   -4.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9417   -9.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.1917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.7000   -3.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3750   -9.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9917   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5667   -8.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8042   -8.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7542  -10.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6167   -7.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7000   -2.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0125   -7.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5417  -11.0875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2792   -3.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9042   -1.5417    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.3917   -8.5417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2625   -2.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4875   -1.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1167  -12.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  4  2  0  0  0  0
  8  2  2  0  0  0  0
  9  6  2  0  0  0  0
 10 14  2  0  0  0  0
 11  3  2  0  0  0  0
 12  7  1  0  0  0  0
 13 15  2  0  0  0  0
 14 12  1  0  0  0  0
 15 17  1  0  0  0  0
 16  9  1  0  0  0  0
 17 12  2  0  0  0  0
 18 10  1  0  0  0  0
 19  6  1  0  0  0  0
 20 16  1  0  0  0  0
 21 13  1  0  0  0  0
 22 19  2  0  0  0  0
 23 22  1  0  0  0  0
 24 18  1  0  0  0  0
  4  5  1  0  0  0  0
 16 23  2  0  0  0  0
 13 10  1  0  0  0  0
M  END
>  <Mol_ID> (5,565)
5565

>  <Formula> (5,565)
C17H12FNO3S2

>  <MolWeight> (5,565)
361.4104832

>  <COMPOUND_NAME> (5,565)
WAY-272493

>  <BAR_CODE_NO> (5,565)
398380

$$$$
WAY-272494
csChFnd80/06171916332D

 25 27  0  0  0  0  0  0  0  0999 V2000
   11.6375   -5.5417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2292   -6.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0625   -6.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6542   -8.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6250   -8.5667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.6375   -3.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5667  -10.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0042   -6.1292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.2625   -2.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7417  -11.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2792   -6.1042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6917   -9.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9667   -9.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6042  -11.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0875   -7.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2625   -0.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9542   -8.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6375  -12.7292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0000   -2.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9042    0.1250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0875   -9.2917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0000   -0.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6375    0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3917  -14.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3042  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  4  2  0  0  0  0
  8  2  2  0  0  0  0
  9  6  2  0  0  0  0
 10 14  2  0  0  0  0
 11  3  2  0  0  0  0
 12  7  1  0  0  0  0
 13 15  2  0  0  0  0
 14 12  1  0  0  0  0
 15 17  1  0  0  0  0
 16  9  1  0  0  0  0
 17 12  2  0  0  0  0
 18 10  1  0  0  0  0
 19  6  1  0  0  0  0
 20 16  1  0  0  0  0
 21 13  1  0  0  0  0
 22 19  2  0  0  0  0
 23 22  1  0  0  0  0
 24 18  1  0  0  0  0
 25 24  1  0  0  0  0
  4  5  1  0  0  0  0
 16 23  2  0  0  0  0
 13 10  1  0  0  0  0
M  END
>  <Mol_ID> (5,566)
5566

>  <Formula> (5,566)
C18H14FNO3S2

>  <MolWeight> (5,566)
375.4370632

>  <COMPOUND_NAME> (5,566)
WAY-272494

>  <BAR_CODE_NO> (5,566)
398381

$$$$
WAY-272495
csChFnd80/06171916332D

 25 27  0  0  0  0  0  0  0  0999 V2000
   12.2375   -3.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4625   -4.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0167   -4.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4792   -6.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9792   -6.1125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.6417   -7.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2167   -2.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8292   -4.2375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.9250   -8.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6542   -4.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2042   -7.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3417   -6.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3625   -8.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1917   -5.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6250   -5.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4875   -1.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0792   -9.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8875   -6.6667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6667  -10.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7292   -2.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4792   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8250  -11.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7292    0.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -1.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  2  0  0  0  0
  7  1  1  0  0  0  0
  8  2  2  0  0  0  0
  9 13  2  0  0  0  0
 10  3  2  0  0  0  0
 11  6  1  0  0  0  0
 12 14  2  0  0  0  0
 13 11  1  0  0  0  0
 14 15  1  0  0  0  0
 15 11  2  0  0  0  0
 16  7  1  0  0  0  0
 17  9  1  0  0  0  0
 18 12  1  0  0  0  0
 19 17  1  0  0  0  0
 20 16  2  0  0  0  0
 21 16  1  0  0  0  0
 22 19  1  0  0  0  0
 23 21  2  0  0  0  0
 24 20  1  0  0  0  0
 25 23  1  0  0  0  0
  4  5  1  0  0  0  0
 24 25  2  0  0  0  0
 12  9  1  0  0  0  0
M  END
>  <Mol_ID> (5,567)
5567

>  <Formula> (5,567)
C19H17NO3S2

>  <MolWeight> (5,567)
371.47318

>  <COMPOUND_NAME> (5,567)
WAY-272495

>  <BAR_CODE_NO> (5,567)
398382

$$$$
WAY-272516
csChFnd80/06171916332D

 27 29  0  0  0  0  0  0  0  0999 V2000
   14.1625   -3.7875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.7792   -5.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1167   -3.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0542   -3.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4500   -5.0417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.9917   -5.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8417   -3.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5042   -6.0667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7417   -4.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2042   -6.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8917   -4.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9792   -7.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6917   -3.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1542   -5.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1167   -1.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7292   -8.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0625   -6.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4667   -7.5667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5292   -4.2917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.1000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.7250   -7.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2042   -9.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1042   -7.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5792   -5.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6667   -7.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2042   -8.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9375   -9.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6 10  1  0  0  0  0
  7  4  2  0  0  0  0
  8  2  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  2  0  0  0  0
 11  7  1  0  0  0  0
 12  8  1  0  0  0  0
 13 11  2  0  0  0  0
 14 11  1  0  0  0  0
 15  3  2  0  0  0  0
 16 12  1  0  0  0  0
 17  6  1  0  0  0  0
 18 10  1  0  0  0  0
 19  9  1  0  0  0  0
 20 16  1  0  0  0  0
 21 12  2  0  0  0  0
 22 16  2  0  0  0  0
 23 17  1  0  0  0  0
 24 19  1  0  0  0  0
 25 18  1  0  0  0  0
 26 21  1  0  0  0  0
 27 26  2  0  0  0  0
  4  5  1  0  0  0  0
  9  6  2  0  0  0  0
 27 22  1  0  0  0  0
M  END
>  <Mol_ID> (5,568)
5568

>  <Formula> (5,568)
C19H17ClN2O4S

>  <MolWeight> (5,568)
404.86728

>  <COMPOUND_NAME> (5,568)
WAY-272516

>  <BAR_CODE_NO> (5,568)
398404

$$$$
WAY-272528
csChFnd80/06171916332D

 20 22  0  0  0  0  0  0  0  0999 V2000
    6.1417   -4.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6375   -5.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3542   -4.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1542   -5.9917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3542   -3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3625   -5.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1542   -3.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4625   -5.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6417   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3625   -2.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6417   -6.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9292   -4.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9292   -5.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7750   -2.2542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7292   -4.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1542   -2.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2125   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9750   -2.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5292   -4.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7417   -3.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  5  1  0  0  0  0
  8  2  2  0  0  0  0
  9  3  2  0  0  0  0
 10  7  1  0  0  0  0
 11  6  2  0  0  0  0
 12  9  1  0  0  0  0
 13 12  2  0  0  0  0
 14 10  1  0  0  0  0
 15  7  2  0  0  0  0
 16 10  2  0  0  0  0
 17 12  1  0  0  0  0
 18 14  1  0  0  0  0
 19 15  1  0  0  0  0
 20 19  2  0  0  0  0
  4  6  1  0  0  0  0
 11 13  1  0  0  0  0
 20 16  1  0  0  0  0
M  END
>  <Mol_ID> (5,569)
5569

>  <Formula> (5,569)
C16H15NO3

>  <MolWeight> (5,569)
269.2952

>  <COMPOUND_NAME> (5,569)
WAY-272528

>  <BAR_CODE_NO> (5,569)
398416

$$$$
WAY-272529
csChFnd80/06171916332D

 20 22  0  0  0  0  0  0  0  0999 V2000
    6.1417   -4.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6375   -5.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3542   -4.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1542   -5.9917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3625   -5.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3542   -3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4625   -5.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6417   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6417   -6.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1542   -3.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9292   -4.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7417   -3.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9292   -5.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3625   -2.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7292   -4.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5292   -4.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1542   -2.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5375   -2.9917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2125   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7500   -2.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  2  0  0  0  0
  8  3  2  0  0  0  0
  9  5  2  0  0  0  0
 10  6  1  0  0  0  0
 11  8  1  0  0  0  0
 12 16  2  0  0  0  0
 13 11  2  0  0  0  0
 14 10  1  0  0  0  0
 15 10  2  0  0  0  0
 16 15  1  0  0  0  0
 17 14  2  0  0  0  0
 18 12  1  0  0  0  0
 19 11  1  0  0  0  0
 20 18  1  0  0  0  0
  4  5  1  0  0  0  0
 12 17  1  0  0  0  0
  9 13  1  0  0  0  0
M  END
>  <Mol_ID> (5,570)
5570

>  <Formula> (5,570)
C16H15NO3

>  <MolWeight> (5,570)
269.2952

>  <COMPOUND_NAME> (5,570)
WAY-272529

>  <BAR_CODE_NO> (5,570)
398417

$$$$
WAY-272544
csChFnd80/06171916332D

 22 24  0  0  0  0  0  0  0  0999 V2000
   10.1417    4.9667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3042    5.3542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0875    6.6125    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.1167    7.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8250    7.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9542    3.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9750    6.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4792    8.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9167    8.4375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2292    5.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7792    3.0333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8125    8.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000    6.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8417    7.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4792   10.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2125    8.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8417   10.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2125   10.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8250    1.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5750   10.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5792    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  1  0  0  0  0
  9  7  1  0  0  0  0
 10  7  2  0  0  0  0
 11  6  2  0  0  0  0
 12  9  1  0  0  0  0
 13 10  1  0  0  0  0
 14  8  2  0  0  0  0
 15  8  1  0  0  0  0
 16 14  1  0  0  0  0
 17 15  2  0  0  0  0
 18 17  1  0  0  0  0
 19  6  1  0  0  0  0
 20 18  1  0  0  0  0
 21 19  1  0  0  0  0
 22 20  1  0  0  0  0
  4  5  1  0  0  0  0
 13 12  2  0  0  0  0
 18 16  2  0  0  0  0
M  END
>  <Mol_ID> (5,571)
5571

>  <Formula> (5,571)
C18H20N2O2

>  <MolWeight> (5,571)
296.3636

>  <COMPOUND_NAME> (5,571)
WAY-272544

>  <BAR_CODE_NO> (5,571)
398433

$$$$
WAY-272555
csChFnd80/06171916332D

 32 35  0  0  0  0  0  0  0  0999 V2000
    7.8792    4.4667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5417    5.5542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3917    5.3250    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.7042    2.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8917   14.6042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.9542    4.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2417    7.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9875    7.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1417    1.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7667   13.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    0.2333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.3750    8.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0250   16.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3417   15.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1542    1.7458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2917    5.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1875    2.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5750    2.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0542    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000    1.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2417   10.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6375    8.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6375   11.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3875   13.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0542    7.4792    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.0042    1.6958    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7667   10.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3750   11.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1500    3.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9167    5.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7500    2.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   14.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5 10  1  0  0  0  0
  6  3  1  0  0  0  0
  7  2  2  0  0  0  0
  8  3  1  0  0  0  0
  9  4  1  0  0  0  0
 10 23  1  0  0  0  0
 11  9  1  0  0  0  0
 12  7  1  0  0  0  0
 13  5  2  0  0  0  0
 14  5  2  0  0  0  0
 15  4  2  0  0  0  0
 16  6  1  0  0  0  0
 17  6  2  0  0  0  0
 18  9  2  0  0  0  0
 19 11  1  0  0  0  0
 20 18  1  0  0  0  0
 21 12  1  0  0  0  0
 22 12  2  0  0  0  0
 23 27  2  0  0  0  0
 24  5  1  0  0  0  0
 25 16  1  0  0  0  0
 26 17  1  0  0  0  0
 27 22  1  0  0  0  0
 28 21  2  0  0  0  0
 29 31  2  0  0  0  0
 30 16  2  0  0  0  0
 31 17  1  0  0  0  0
 32 24  1  0  0  0  0
  7  8  1  0  0  0  0
 20 19  2  0  0  0  0
 30 29  1  0  0  0  0
 28 23  1  0  0  0  0
M  END
>  <Mol_ID> (5,572)
5572

>  <Formula> (5,572)
C22H19ClFN3O3S2

>  <MolWeight> (5,572)
491.9859632

>  <COMPOUND_NAME> (5,572)
WAY-272555

>  <BAR_CODE_NO> (5,572)
398444

$$$$
WAY-272580
csChFnd80/06171916332D

 30 33  0  0  0  0  0  0  0  0999 V2000
    3.3875   -2.3792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9292   -1.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5667   -4.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2250   -4.4125    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0667   -2.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6292   -6.6125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9125   -5.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9167   -1.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2750   -0.0292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9542   -6.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4958    2.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3042   -5.2042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4875    0.9833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.9542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9167    0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667   -2.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9750   -7.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2542   -4.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5917   -6.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208    0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9708    3.5208    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333    3.5250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.5792   -4.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2917   -7.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083   -1.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4500    0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6167   -5.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3375   -8.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0125   -8.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3042   -5.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6 10  1  0  0  0  0
  7  4  1  0  0  0  0
  8  1  1  0  0  0  0
  9  2  2  0  0  0  0
 10 17  2  0  0  0  0
 11 13  1  0  0  0  0
 12  3  2  0  0  0  0
 13 20  1  0  0  0  0
 14 29  1  0  0  0  0
 15  8  2  0  0  0  0
 16  8  1  0  0  0  0
 17 24  1  0  0  0  0
 18 23  2  0  0  0  0
 19  7  1  0  0  0  0
 20 25  1  0  0  0  0
 21 11  1  0  0  0  0
 22 11  1  0  0  0  0
 23 19  1  0  0  0  0
 24 19  2  0  0  0  0
 25 16  2  0  0  0  0
 26 15  1  0  0  0  0
 27  6  1  0  0  0  0
 28  6  1  0  0  0  0
 29 28  1  0  0  0  0
 30 27  1  0  0  0  0
  5  4  1  0  0  0  0
 20 26  2  0  0  0  0
 18 10  1  0  0  0  0
 14 30  1  0  0  0  0
M  END
>  <Mol_ID> (5,573)
5573

>  <Formula> (5,573)
C21H21F2N3O4

>  <MolWeight> (5,573)
417.4059464

>  <COMPOUND_NAME> (5,573)
WAY-272580

>  <BAR_CODE_NO> (5,573)
398470

$$$$
WAY-272589
csChFnd80/06171916332D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.0583   -1.0750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8875   -1.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1375   -0.2792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292   -1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4708    0.2083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708   -1.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2500   -1.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917   -0.0250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208   -2.5250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3917   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2000   -1.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7875   -3.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7417   -2.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4583   -2.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5667    0.4833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0917   -2.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0125   -0.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5875   -0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5750   -3.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000   -3.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5625   -2.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  2  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  4  1  0  0  0  0
 10  7  1  0  0  0  0
 11 17  1  0  0  0  0
 12  7  2  0  0  0  0
 13 10  1  0  0  0  0
 14  8  2  0  0  0  0
 15 12  1  0  0  0  0
 16 11  2  0  0  0  0
 17  9  1  0  0  0  0
 18  5  2  0  0  0  0
 19 11  1  0  0  0  0
 20  8  1  0  0  0  0
 21 18  1  0  0  0  0
 22 21  2  0  0  0  0
 23 14  1  0  0  0  0
  3  6  1  0  0  0  0
 22 14  1  0  0  0  0
 13 15  2  0  0  0  0
M  END
>  <Mol_ID> (5,574)
5574

>  <Formula> (5,574)
C16H15N3O2S2

>  <MolWeight> (5,574)
345.4392

>  <COMPOUND_NAME> (5,574)
WAY-272589

>  <BAR_CODE_NO> (5,574)
398479

$$$$
WAY-272596
csChFnd80/06171916332D

 19 20  0  0  0  0  0  0  0  0999 V2000
    3.2542   -0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3375   -1.6792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0042   -0.5167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1417   -1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5542   -1.1292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5375   -0.4500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8250   -0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042   -0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3917   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8250   -1.6875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4792   -2.6042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208   -0.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0375   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7500   -0.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4708   -0.8667    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0375    0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208    0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7500    0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3000   -2.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  7  2  0  0  0  0
 11  4  1  0  0  0  0
 12  9  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 18 16  1  0  0  0  0
 19 11  1  0  0  0  0
  5  4  2  0  0  0  0
 18 14  2  0  0  0  0
M  END
>  <Mol_ID> (5,575)
5575

>  <Formula> (5,575)
C12H10FN3OS2

>  <MolWeight> (5,575)
295.3557032

>  <COMPOUND_NAME> (5,575)
WAY-272596

>  <BAR_CODE_NO> (5,575)
398486

$$$$
WAY-272597
csChFnd80/06171916332D

 18 19  0  0  0  0  0  0  0  0999 V2000
    1.2000   -0.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6917    0.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1500    1.3083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9792    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9500    1.0833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1375    0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6667   -0.2042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5958   -0.1042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0542   -0.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6458    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9750   -0.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4250    0.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8542   -0.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5500   -1.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4667    0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3250   -2.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8500   -1.3667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8  6  1  0  0  0  0
  9 16  1  0  0  0  0
 10  6  2  0  0  0  0
 11  8  1  0  0  0  0
 12  1  1  0  0  0  0
 13 10  1  0  0  0  0
 14  9  2  0  0  0  0
 15 12  1  0  0  0  0
 16  7  1  0  0  0  0
 17 15  2  0  0  0  0
 18  9  1  0  0  0  0
  3  5  1  0  0  0  0
 13 11  2  0  0  0  0
M  END
>  <Mol_ID> (5,576)
5576

>  <Formula> (5,576)
C11H12N4OS2

>  <MolWeight> (5,576)
280.36918

>  <COMPOUND_NAME> (5,576)
WAY-272597

>  <BAR_CODE_NO> (5,576)
398487

$$$$
WAY-272624
csChFnd80/06171916332D

 34 38  0  0  0  0  0  0  0  0999 V2000
    5.3542   -6.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3542   -5.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4792   -7.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3167   -7.4792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1667   -6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5667   -5.2917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2542   -5.7292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2542   -6.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3167   -5.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3417   -6.3542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7042   -6.4792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5667   -4.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042   -7.4792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3167   -3.9917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8750   -6.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8792   -7.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9792   -5.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1542   -5.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0542   -7.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3167   -8.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2292   -5.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5042   -5.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4125   -7.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2250   -6.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5792   -3.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6917   -5.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5792   -7.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4042   -6.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5917   -4.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5667   -2.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6125   -3.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5750   -1.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6042   -2.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  2  0  0  0  0
  6  2  1  0  0  0  0
  7  8  1  0  0  0  0
  8  4  1  0  0  0  0
  9  2  1  0  0  0  0
 10  5  1  0  0  0  0
 11 18  1  0  0  0  0
 12  6  1  0  0  0  0
 13  8  2  0  0  0  0
 14  9  2  0  0  0  0
 15 11  1  0  0  0  0
 16 10  1  0  0  0  0
 17 10  1  0  0  0  0
 18 17  1  0  0  0  0
 19 16  1  0  0  0  0
 20  4  1  0  0  0  0
 21  7  1  0  0  0  0
 22 15  1  0  0  0  0
 23 15  2  0  0  0  0
 24 27  2  0  0  0  0
 25 12  1  0  0  0  0
 26 22  2  0  0  0  0
 27 23  1  0  0  0  0
 28 24  1  0  0  0  0
 29 25  2  0  0  0  0
 30 25  1  0  0  0  0
 31 28  1  0  0  0  0
 32 29  1  0  0  0  0
 33 30  2  0  0  0  0
 34 33  1  0  0  0  0
  7  9  1  0  0  0  0
  5  6  1  0  0  0  0
 19 11  1  0  0  0  0
 32 34  2  0  0  0  0
 26 24  1  0  0  0  0
M  END
>  <Mol_ID> (5,577)
5577

>  <Formula> (5,577)
C25H28N6O3

>  <MolWeight> (5,577)
460.52822

>  <COMPOUND_NAME> (5,577)
WAY-272624

>  <BAR_CODE_NO> (5,577)
398515

$$$$
WAY-272687
csChFnd80/06171916332D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -3.8458    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1375    1.3250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4250    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8458    2.5583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4250    2.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1375    2.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7083    1.3208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5625    1.3208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1375    3.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958    2.5583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1375    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5625    2.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167    1.7333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833    1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4375    2.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542    2.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2583    2.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2583    3.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667    3.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4750    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  6  1  0  0  0  0
  6  4  1  0  0  0  0
  7  3  1  0  0  0  0
  8  7  1  0  0  0  0
  9  1  2  0  0  0  0
 10  6  2  0  0  0  0
 11  8  2  0  0  0  0
 12  2  1  0  0  0  0
 13  4  1  0  0  0  0
 14 15  1  0  0  0  0
 15  8  1  0  0  0  0
 16 14  1  0  0  0  0
 17 16  2  0  0  0  0
 18 16  1  0  0  0  0
 19 18  2  0  0  0  0
 20 17  1  0  0  0  0
 21 19  1  0  0  0  0
  3  5  2  0  0  0  0
 21 20  2  0  0  0  0
M  END
>  <Mol_ID> (5,578)
5578

>  <Formula> (5,578)
C14H15N3O4

>  <MolWeight> (5,578)
289.2866

>  <COMPOUND_NAME> (5,578)
WAY-272687

>  <BAR_CODE_NO> (5,578)
398578

$$$$
WAY-272725
csChFnd80/06171916332D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -2.4250    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1375    1.3250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8458    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8458    2.5583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4250    2.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1375    2.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7083    1.3208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5625    1.3208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1375    3.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958    2.5583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4250    1.7333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833    1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4250    2.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4500    4.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4625    5.0250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.1500    2.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708    2.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2625    3.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542    3.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  6  1  0  0  0  0
  5  1  2  0  0  0  0
  6  5  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9  3  2  0  0  0  0
 10  6  2  0  0  0  0
 11  8  2  0  0  0  0
 12 13  1  0  0  0  0
 13  8  1  0  0  0  0
 14 12  1  0  0  0  0
 15 19  1  0  0  0  0
 16 15  1  0  0  0  0
 17 14  2  0  0  0  0
 18 14  1  0  0  0  0
 19 18  2  0  0  0  0
 20 17  1  0  0  0  0
  4  3  1  0  0  0  0
 15 20  2  0  0  0  0
M  END
>  <Mol_ID> (5,579)
5579

>  <Formula> (5,579)
C12H10ClN3O4

>  <MolWeight> (5,579)
295.6785

>  <COMPOUND_NAME> (5,579)
WAY-272725

>  <BAR_CODE_NO> (5,579)
398616

$$$$
WAY-272758
csChFnd80/06171916332D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -2.4625    2.9958    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2500    2.7458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5083    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3333    1.9583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6583    3.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6375    2.9958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500    2.2083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0208    1.2875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9208    3.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0625    4.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4458    4.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    2.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3583    0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0500    5.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8125    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1750    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6458    4.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2583    5.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6292    0.1833    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2458    6.1792    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4833    1.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3333   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6583    1.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5208   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  1  1  0  0  0  0
  6  1  2  0  0  0  0
  7  1  2  0  0  0  0
  8  3  1  0  0  0  0
  9  2  1  0  0  0  0
 10  5  2  0  0  0  0
 11  5  1  0  0  0  0
 12  9  1  0  0  0  0
 13  8  1  0  0  0  0
 14 17  1  0  0  0  0
 15 22  1  0  0  0  0
 16 13  1  0  0  0  0
 17 11  2  0  0  0  0
 18 10  1  0  0  0  0
 19 15  1  0  0  0  0
 20 14  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 16  2  0  0  0  0
 24 16  1  0  0  0  0
 14 18  2  0  0  0  0
 12  4  1  0  0  0  0
 21 15  2  0  0  0  0
M  END
>  <Mol_ID> (5,580)
5580

>  <Formula> (5,580)
C16H14F2N2O2S2

>  <MolWeight> (5,580)
368.4213664

>  <COMPOUND_NAME> (5,580)
WAY-272758

>  <BAR_CODE_NO> (5,580)
398649

$$$$
WAY-320008
csChFnd80/06171916332D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -0.6287   -0.4282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1563    0.4408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0943   -1.2971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3609   -0.4282    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6287    1.3063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1460    0.4408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5529   -2.1489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1150   -1.3109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8575    0.4408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3609    1.3063    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1563    2.1753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6425    1.3063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0322   -3.0454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5805   -2.2247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8506    0.4408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1460    2.1753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6356    1.3063    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0391   -3.0937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3437    1.3063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3437   -0.4282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3506    1.3063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3678   -0.4282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8644    0.4408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    0.4408    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 14  2  0  0  0  0
  9 15  1  0  0  0  0
 11 16  2  0  0  0  0
 12 17  1  0  0  0  0
 13 18  2  0  0  0  0
 15 19  2  0  0  0  0
 15 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
 23 24  1  0  0  0  0
  9 10  2  0  0  0  0
 12 16  1  0  0  0  0
 14 18  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (5,581)
5581

>  <Formula> (5,581)
C20H16N4

>  <MolWeight> (5,581)
312.36784

>  <COMPOUND_NAME> (5,581)
WAY-320008

>  <BAR_CODE_NO> (5,581)
295009

$$$$
WAY-320010
csChFnd80/06171916332D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.5729    0.1684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8212   -0.5523    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6477   -0.5523    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5729    1.6098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1488   -1.9488    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0419    0.1684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8960    0.1684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6477    2.3339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5454   -2.0592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1143   -0.7937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1729    1.6098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8960    1.6098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1408   -0.5523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2902   -3.3281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1408    2.3339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3650    0.1684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1822   -1.9937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3650    1.6098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  6 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  2  0  0  0  0
  7 13  1  0  0  0  0
  9 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
 13 17  1  0  0  0  0
 15 18  2  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (5,582)
5582

>  <Formula> (5,582)
C14H13N3O

>  <MolWeight> (5,582)
239.27252

>  <COMPOUND_NAME> (5,582)
WAY-320010

>  <BAR_CODE_NO> (5,582)
295011

$$$$
WAY-320011
csChFnd80/06171916332D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -1.6970   -0.6288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6970    0.6402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5625   -1.2633    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8108   -1.2874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8108    1.2747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5237   -0.5840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9211   -0.6529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9211    0.6402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8108    2.5471    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.6582   -1.2184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7478   -0.5598    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9720   -0.9253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7271    0.7333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6754    0.1436    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9271    1.1402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  2  0  0  0  0
  7  8  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (5,583)
5583

>  <Formula> (5,583)
C10H10ClN3O

>  <MolWeight> (5,583)
223.6589

>  <COMPOUND_NAME> (5,583)
WAY-320011

>  <BAR_CODE_NO> (5,583)
295012

$$$$
WAY-320413
csChFnd80/06171916332D

 21 23  0  0  0  0  0  0  0  0999 V2000
    1.1500   -1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -0.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3292   -1.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458   -0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1875   -2.0792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8208   -1.3542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.2042   -0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3542   -1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1333    0.7625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9958   -1.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7958   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3708    1.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1333    2.0833    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.4125    0.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9958   -0.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7833   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1833    1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2375   -0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9375    0.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9792    0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8167    1.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7  3  1  0  0  0  0
  8  7  1  0  0  0  0
  9  4  2  0  0  0  0
 10  6  1  0  0  0  0
 11 10  1  0  0  0  0
 12 16  2  0  0  0  0
 13 12  1  0  0  0  0
 14 11  1  0  0  0  0
 15 11  2  0  0  0  0
 16 15  1  0  0  0  0
 17 14  2  0  0  0  0
 18  8  2  0  0  0  0
 19  7  2  0  0  0  0
 20 21  2  0  0  0  0
 21 19  1  0  0  0  0
  6  4  1  0  0  0  0
 20 18  1  0  0  0  0
 17 12  1  0  0  0  0
M  END
>  <Mol_ID> (5,584)
5584

>  <Formula> (5,584)
C15H12BrN3OS

>  <MolWeight> (5,584)
362.24428

>  <COMPOUND_NAME> (5,584)
WAY-320413

>  <BAR_CODE_NO> (5,584)
295414

$$$$
WAY-320417
csChFnd80/06171916332D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.5458    1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208    0.7833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208    2.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.6833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8000    1.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8000    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5167   -0.7875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5375    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5208    2.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7375    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5208    0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792   -0.7792    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.9500   -0.0542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.7458    2.9208    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.2625    1.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2625    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7792   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0000    0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  7  2  1  0  0  0  0
  8 14  1  0  0  0  0
  9  5  1  0  0  0  0
 10  5  1  0  0  0  0
 11  6  2  0  0  0  0
 12  3  2  0  0  0  0
 13  7  2  0  0  0  0
 14 10  1  0  0  0  0
 15  9  1  0  0  0  0
 16  4  1  0  0  0  0
 17 11  1  0  0  0  0
 18 13  1  0  0  0  0
 19 15  1  0  0  0  0
 20 14  1  0  0  0  0
 21 18  1  0  0  0  0
  7  6  1  0  0  0  0
  8 15  1  0  0  0  0
 18 17  2  0  0  0  0
M  END
>  <Mol_ID> (5,585)
5585

>  <Formula> (5,585)
C16H18ClNO2S

>  <MolWeight> (5,585)
323.83762

>  <COMPOUND_NAME> (5,585)
WAY-320417

>  <BAR_CODE_NO> (5,585)
295418

$$$$
WAY-320426
csChFnd80/06171916332D

 20 21  0  0  0  0  0  0  0  0999 V2000
    3.1000    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1667    1.4458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7792    0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2875    0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9042    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1500    0.3208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417   -0.4167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000    1.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4458    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1000    0.7000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.9375   -0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458   -0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2042    2.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4458   -0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  2  0  0  0  0
  6  2  2  0  0  0  0
  7  8  1  0  0  0  0
  8 10  1  0  0  0  0
  9  7  1  0  0  0  0
 10  4  1  0  0  0  0
 11  4  2  0  0  0  0
 12  7  2  0  0  0  0
 13  9  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16  3  1  0  0  0  0
 17  9  2  0  0  0  0
 18 17  1  0  0  0  0
 19  6  1  0  0  0  0
 20 18  2  0  0  0  0
  6  5  1  0  0  0  0
 20 14  1  0  0  0  0
M  END
>  <Mol_ID> (5,586)
5586

>  <Formula> (5,586)
C14H14ClN3O2

>  <MolWeight> (5,586)
291.73286

>  <COMPOUND_NAME> (5,586)
WAY-320426

>  <BAR_CODE_NO> (5,586)
295427

$$$$
WAY-320430-A
csChFnd80/06171916332D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -1.3661    0.9448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2144    0.5759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3661    2.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4040    0.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4856    1.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2063   -0.5759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2144    2.5034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4040    2.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4558    0.9448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7063    1.5655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3960   -0.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4558    2.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8235   -1.8862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1960   -2.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9753   -2.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0063   -3.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0856   -3.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  8 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
  5  7  2  0  0  0  0
  9 12  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (5,587)
5587

>  <Formula> (5,587)
C13H18N4

>  <MolWeight> (5,587)
230.30882

>  <COMPOUND_NAME> (5,587)
WAY-320430

>  <BAR_CODE_NO> (5,587)
295431

$$$$
WAY-320432-A
csChFnd80/06171916332D

 26 29  0  0  0  0  0  0  0  0999 V2000
    5.9667   -2.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4792   -1.5667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5000   -2.9042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7000   -1.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7000   -2.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7167   -0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8000   -2.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7542   -3.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5292   -0.6000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.7667    0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2042   -4.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0875   -1.2042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9792   -3.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9792   -1.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5792    0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2167    0.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4000   -4.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4792   -5.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2667   -1.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2667   -2.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4542    1.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8167    1.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9375   -5.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8542   -4.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2667    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1167   -5.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  2  0  0  0  0
  8  3  1  0  0  0  0
  9  6  1  0  0  0  0
 10  9  1  0  0  0  0
 11  8  1  0  0  0  0
 12  9  1  0  0  0  0
 13  5  2  0  0  0  0
 14  4  2  0  0  0  0
 15 10  2  0  0  0  0
 16 10  1  0  0  0  0
 17 11  2  0  0  0  0
 18 11  1  0  0  0  0
 19 14  1  0  0  0  0
 20 13  1  0  0  0  0
 21 16  2  0  0  0  0
 22 15  1  0  0  0  0
 23 18  2  0  0  0  0
 24 17  1  0  0  0  0
 25 21  1  0  0  0  0
 26 23  1  0  0  0  0
  4  5  1  0  0  0  0
 19 20  2  0  0  0  0
 24 26  2  0  0  0  0
 22 25  2  0  0  0  0
M  END
>  <Mol_ID> (5,588)
5588

>  <Formula> (5,588)
C22H21N3O

>  <MolWeight> (5,588)
343.42164

>  <COMPOUND_NAME> (5,588)
WAY-320432

>  <BAR_CODE_NO> (5,588)
295433

$$$$
WAY-320439-A
csChFnd80/06171916332D

 25 28  0  0  0  0  0  0  0  0999 V2000
    1.1185    0.7594    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7013   -0.1682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3564    1.4456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1392    0.6353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3125   -0.0819    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4840   -0.8544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5298    0.9284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3461    2.4836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3392   -0.3785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8564    1.3870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9677   -0.8819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4263    1.4456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5401    3.0008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2771   -0.8544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8564    1.1284    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5702    2.3698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0091   -0.8819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4263    2.4836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5633    1.8629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5332   -1.7233    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0091   -2.6371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5918   -1.7233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5332   -3.5544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1263   -2.6371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6022   -3.5544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  2  0  0  0  0
 11 17  1  0  0  0  0
 12 18  2  0  0  0  0
 15 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
  5  7  1  0  0  0  0
  6  9  1  0  0  0  0
 13 18  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (5,589)
5589

>  <Formula> (5,589)
C18H22N4O3

>  <MolWeight> (5,589)
342.39228

>  <COMPOUND_NAME> (5,589)
WAY-320439

>  <BAR_CODE_NO> (5,589)
295440

$$$$
WAY-320448
csChFnd80/06171916332D

 22 26  0  0  0  0  0  0  0  0999 V2000
    5.4292   -4.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9875   -4.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9167   -3.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6542   -2.6000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.8375   -3.1667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2000   -3.7667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2667   -4.4667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6167   -4.1000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.5542   -3.4042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.8042   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000   -3.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8042   -4.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1792   -4.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1792   -5.3792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1042   -2.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5500   -3.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3000   -3.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6667   -2.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6667   -4.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4167   -4.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4167   -2.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7875   -3.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  9  1  0  0  0  0
  5  8  1  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  6  1  0  0  0  0
 10  4  1  0  0  0  0
 11  9  1  0  0  0  0
 12  8  1  0  0  0  0
 13  1  1  0  0  0  0
 14  2  2  0  0  0  0
 15  3  2  0  0  0  0
 16 13  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 17  2  0  0  0  0
 20 19  1  0  0  0  0
 21 18  2  0  0  0  0
 22 20  2  0  0  0  0
  6  7  1  0  0  0  0
 11 12  2  0  0  0  0
  4  5  1  0  0  0  0
 10  5  1  0  0  0  0
 22 21  1  0  0  0  0
M  END
>  <Mol_ID> (5,590)
5590

>  <Formula> (5,590)
C19H19NO2

>  <MolWeight> (5,590)
293.35966

>  <COMPOUND_NAME> (5,590)
WAY-320448

>  <BAR_CODE_NO> (5,590)
295449

$$$$
WAY-320451
csChFnd80/06171916332D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -2.6135    1.1516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6135    0.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7928    1.6137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4307    1.6137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7928   -0.2656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4307   -0.2656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9756    1.1516    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7928    2.5723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2514    1.1516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9756    0.1999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7928   -1.1967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2514    0.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1514   -0.2863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1514   -1.1967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6693   -1.6967    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9756   -1.6967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4693   -1.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2727   -1.6967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4693   -0.2863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1210   -1.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2865    0.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1210   -0.2863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9244    0.1861    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.4210   -0.6346    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4693    0.9654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7693    0.7033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 23 26  2  0  0  0  0
  7 10  1  0  0  0  0
  9 12  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (5,591)
5591

>  <Formula> (5,591)
C17H16N4O4S

>  <MolWeight> (5,591)
372.39834

>  <COMPOUND_NAME> (5,591)
WAY-320451

>  <BAR_CODE_NO> (5,591)
295452

$$$$
WAY-320461
csChFnd80/06171916332D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -1.5624    0.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0796   -0.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8141    0.4034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7279    1.1931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8037    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8658   -0.7966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5210    1.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0865    1.5828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3175   -0.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3762   -1.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2238    1.1793    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1037   -1.1517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6790    0.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4238    0.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8756    0.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7135    1.3724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6238    0.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5894   -0.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0756   -0.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0376   -1.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7825   -1.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2342   -1.7207    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  9 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
  7  8  2  0  0  0  0
 10 12  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (5,592)
5592

>  <Formula> (5,592)
C15H10BrN3O2S

>  <MolWeight> (5,592)
376.2278

>  <COMPOUND_NAME> (5,592)
WAY-320461

>  <BAR_CODE_NO> (5,592)
295462

$$$$
WAY-320490
csChFnd80/06171916332D

 32 36  0  0  0  0  0  0  0  0999 V2000
   -3.2375    2.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9083    2.9833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    2.4958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4958    1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4583    2.7458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3333    1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458    2.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9083    3.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9083    0.4250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0583    2.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000    2.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0125    1.3875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2375    0.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1958    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9167    2.7083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542    4.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833    3.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1083    3.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292    2.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    0.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6333    4.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4958    3.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1958    5.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2292    4.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417    4.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6208    5.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0125    5.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9125    5.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4042    5.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7917    5.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  2  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  5  1  0  0  0  0
  8  2  1  0  0  0  0
  9 12  1  0  0  0  0
 10 14  1  0  0  0  0
 11  7  1  0  0  0  0
 12 21  1  0  0  0  0
 13  7  2  0  0  0  0
 14  4  1  0  0  0  0
 15  8  2  0  0  0  0
 16  9  2  0  0  0  0
 17  9  1  0  0  0  0
 18 11  2  0  0  0  0
 19 11  1  0  0  0  0
 20 18  1  0  0  0  0
 21 19  2  0  0  0  0
 22  6  1  0  0  0  0
 23  8  1  0  0  0  0
 24 15  1  0  0  0  0
 25 15  1  0  0  0  0
 26 17  2  0  0  0  0
 27 17  1  0  0  0  0
 28 23  2  0  0  0  0
 29 27  2  0  0  0  0
 30 28  1  0  0  0  0
 31 26  1  0  0  0  0
 32 29  1  0  0  0  0
  3  6  2  0  0  0  0
 22 10  1  0  0  0  0
 20 12  2  0  0  0  0
 30 25  2  0  0  0  0
 31 32  2  0  0  0  0
M  END
>  <Mol_ID> (5,593)
5593

>  <Formula> (5,593)
C26H21N3O2S

>  <MolWeight> (5,593)
439.52884

>  <COMPOUND_NAME> (5,593)
WAY-320490

>  <BAR_CODE_NO> (5,593)
295491

$$$$
WAY-320501
csChFnd80/06171916332D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -0.3208   -0.0667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208    0.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167    1.1125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0167    0.3708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167   -1.1875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6208    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8625    0.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6208    2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4625    0.9958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167   -2.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4625    2.4333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9833    1.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833    2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3792   -2.8667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8625    2.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167   -1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0625   -3.3667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8625   -0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833   -1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6208   -0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8625   -1.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6208   -1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8  9  2  0  0  0  0
  9  6  1  0  0  0  0
 10  1  1  0  0  0  0
 11 18  2  0  0  0  0
 12  8  1  0  0  0  0
 13 19  1  0  0  0  0
 14 11  1  0  0  0  0
 15 12  1  0  0  0  0
 16  6  2  0  0  0  0
 17 13  2  0  0  0  0
 18 16  1  0  0  0  0
 19  7  1  0  0  0  0
 20 13  1  0  0  0  0
 21 10  2  0  0  0  0
 22 10  1  0  0  0  0
 23 21  1  0  0  0  0
 24 22  2  0  0  0  0
 25 24  1  0  0  0  0
  5  3  1  0  0  0  0
 25 23  2  0  0  0  0
 11  8  1  0  0  0  0
 15 14  1  0  0  0  0
M  END
>  <Mol_ID> (5,594)
5594

>  <Formula> (5,594)
C17H13N3O4S

>  <MolWeight> (5,594)
355.36782

>  <COMPOUND_NAME> (5,594)
WAY-320501

>  <BAR_CODE_NO> (5,594)
295502

$$$$
WAY-320505
csChFnd80/06171916332D

 15 16  0  0  0  0  0  0  0  0999 V2000
    1.8899   -0.7724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7519    0.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8381   -1.5586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2243   -1.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5726    1.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9209    1.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3929   -1.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8830    0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5170    0.2724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4519    2.3828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4895   -1.8034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7377    0.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6688   -0.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9205    0.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8067   -0.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  7 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
M  END
>  <Mol_ID> (5,595)
5595

>  <Formula> (5,595)
C11H16N2O2

>  <MolWeight> (5,595)
208.25694

>  <COMPOUND_NAME> (5,595)
WAY-320505

>  <BAR_CODE_NO> (5,595)
295506

$$$$
WAY-320509
csChFnd80/06171916332D

 24 27  0  0  0  0  0  0  0  0999 V2000
    0.2928   -0.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5382   -0.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2928   -1.5483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2169   -0.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5382    0.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3831   -0.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5382   -2.0448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2169   -1.8483    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7790   -1.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5411    0.6414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3831    1.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2928    1.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3831   -1.5483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7411   -1.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3831    2.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2928    2.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2210   -2.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2411   -1.9241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2618   -0.2724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5382    2.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7693   -2.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2486   -2.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5382    3.8034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2928    4.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  6 13  2  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 14 19  2  0  0  0  0
 15 20  2  0  0  0  0
 17 21  1  0  0  0  0
 17 22  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
  7 13  1  0  0  0  0
  8  9  1  0  0  0  0
 16 20  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (5,596)
5596

>  <Formula> (5,596)
C18H17N3O2S

>  <MolWeight> (5,596)
339.41148

>  <COMPOUND_NAME> (5,596)
WAY-320509

>  <BAR_CODE_NO> (5,596)
295510

$$$$
WAY-320511-A
csChFnd80/06171916332D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -0.4028    0.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4028   -0.1007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717    1.0889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2697    1.0889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2697   -0.4869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717   -0.4869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7441    0.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9386    0.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9386   -0.1007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2697   -1.2869    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7441   -0.1007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4131    1.1131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6110    1.1131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6110   -0.4869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4407   -0.5111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1096    0.7269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2800   -0.1007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6110   -1.2593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1372   -0.1007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7821    1.1372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9524   -0.4869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2800   -1.6455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7545    1.9131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4510    0.7786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9524   -1.2593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7007   -0.2524    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7007   -1.4938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1386   -0.8973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 14 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  2  0  0  0  0
 20 23  1  0  0  0  0
 20 24  2  0  0  0  0
 21 25  2  0  0  0  0
 21 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  2  0  0  0  0
 22 25  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (5,597)
5597

>  <Formula> (5,597)
C21H18O7

>  <MolWeight> (5,597)
382.36342

>  <COMPOUND_NAME> (5,597)
WAY-320511

>  <BAR_CODE_NO> (5,597)
295512

$$$$
WAY-320526
csChFnd80/06171916332D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -1.4192    0.5738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7882   -0.4159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3778    0.7669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1192    1.4014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2537   -1.3503    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8468   -0.6090    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4877   -0.0917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0088    1.7565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7468    2.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0019   -2.1262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9847   -1.6676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8498   -0.1607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6709    2.6014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8882   -3.1676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8364   -2.2503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8877    0.7152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4877   -1.0090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7778   -3.7848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7468   -3.3262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9498    0.8393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2739    1.6152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3670    1.8152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7739    0.1910    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.6567    2.5841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7325    2.6910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 17  2  0  0  0  0
 14 18  2  0  0  0  0
 15 19  2  0  0  0  0
 16 20  1  0  0  0  0
 16 21  2  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
  9 13  2  0  0  0  0
 10 11  2  0  0  0  0
 18 19  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (5,598)
5598

>  <Formula> (5,598)
C20H13FN2OS

>  <MolWeight> (5,598)
348.3934232

>  <COMPOUND_NAME> (5,598)
WAY-320526

>  <BAR_CODE_NO> (5,598)
295527

$$$$
WAY-320540
csChFnd80/06171916332D

 28 31  0  0  0  0  0  0  0  0999 V2000
    2.6417   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5625   -1.4167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9000   -0.2667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.3167   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9167   -1.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1542   -1.2875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0750   -0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542   -1.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3417   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   -2.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3250   -2.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4042   -3.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1667   -4.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5875   -1.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7542   -2.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8375   -3.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7167   -4.2417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2375    0.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2542   -4.9292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7500    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3417   -2.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5125   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9667   -3.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0042   -5.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9042    1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6667    0.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000   -1.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5125   -2.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  4  2  0  0  0  0
  8  2  1  0  0  0  0
  9  3  1  0  0  0  0
 10  5  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 16  1  0  0  0  0
 14  5  2  0  0  0  0
 15 10  1  0  0  0  0
 16 15  2  0  0  0  0
 17 12  1  0  0  0  0
 18  4  1  0  0  0  0
 19 13  1  0  0  0  0
 20  7  1  0  0  0  0
 21  8  1  0  0  0  0
 22  9  1  0  0  0  0
 23 17  1  0  0  0  0
 24 19  1  0  0  0  0
 25 18  2  0  0  0  0
 26 25  1  0  0  0  0
 27 22  2  0  0  0  0
 28 21  2  0  0  0  0
  8  9  2  0  0  0  0
 26 20  2  0  0  0  0
 28 27  1  0  0  0  0
 13 12  2  0  0  0  0
M  END
>  <Mol_ID> (5,599)
5599

>  <Formula> (5,599)
C22H18N2O3S

>  <MolWeight> (5,599)
390.45492

>  <COMPOUND_NAME> (5,599)
WAY-320540

>  <BAR_CODE_NO> (5,599)
295541

$$$$
WAY-320543
csChFnd80/06171916332D

 26 29  0  0  0  0  0  0  0  0999 V2000
    2.6417   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5625   -1.4167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9000   -0.2625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.3167   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9167   -1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1542   -1.2792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0750   -0.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542   -1.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3417   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   -2.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3250   -2.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4042   -3.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5875   -1.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1667   -4.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7542   -2.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8375   -3.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2375    0.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7500    0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3417   -2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5125   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7167   -4.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2542   -4.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9042    1.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6667    0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000   -1.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5125   -2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  4  2  0  0  0  0
  8  2  1  0  0  0  0
  9  3  1  0  0  0  0
 10  5  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13  5  2  0  0  0  0
 14 16  1  0  0  0  0
 15 10  1  0  0  0  0
 16 15  2  0  0  0  0
 17  4  1  0  0  0  0
 18  7  1  0  0  0  0
 19  8  1  0  0  0  0
 20  9  1  0  0  0  0
 21 12  1  0  0  0  0
 22 14  1  0  0  0  0
 23 17  2  0  0  0  0
 24 23  1  0  0  0  0
 25 20  2  0  0  0  0
 26 19  2  0  0  0  0
  8  9  2  0  0  0  0
 24 18  2  0  0  0  0
 26 25  1  0  0  0  0
 14 12  2  0  0  0  0
M  END
>  <Mol_ID> (5,600)
5600

>  <Formula> (5,600)
C22H18N2OS

>  <MolWeight> (5,600)
358.45612

>  <COMPOUND_NAME> (5,600)
WAY-320543

>  <BAR_CODE_NO> (5,600)
295544

$$$$
WAY-320019
csChFnd80/06171916332D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.5552   -0.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0138    0.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2138    1.1448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2345   -1.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9552   -0.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6069    1.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7759    1.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862   -1.5241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5448   -2.9241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4966   -0.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3552   -2.3345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1345    1.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5552   -0.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5345    2.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5931   -2.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1138    0.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1034   -0.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0931    2.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8862    1.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  2  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
 10 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 18  2  0  0  0  0
 17 19  2  0  0  0  0
  8 13  1  0  0  0  0
 12 16  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (5,601)
5601

>  <Formula> (5,601)
C15H13N3O

>  <MolWeight> (5,601)
251.28322

>  <COMPOUND_NAME> (5,601)
WAY-320019

>  <BAR_CODE_NO> (5,601)
295020

$$$$
WAY-320024
csChFnd80/06171916332D

 31 34  0  0  0  0  0  0  0  0999 V2000
    2.7500    1.4500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3125    0.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4500   -0.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1958   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6125    0.7958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4500    1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333    0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9958    0.8958    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5708   -0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5125    0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0500    1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2125   -1.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0500    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417    2.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6667    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3125   -0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1708   -0.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5958   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4500    1.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9667    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667    1.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2875    0.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8042    2.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5292    2.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0500    1.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6958   -1.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3333   -2.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4500   -1.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7292    1.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2042    2.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7625   -2.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  7  1  0  0  0  0
  6  1  1  0  0  0  0
  7 15  1  0  0  0  0
  8  2  1  0  0  0  0
  9  4  1  0  0  0  0
 10  8  1  0  0  0  0
 11  1  1  0  0  0  0
 12  9  1  0  0  0  0
 13  1  2  0  0  0  0
 14  1  2  0  0  0  0
 15 22  1  0  0  0  0
 16  9  2  0  0  0  0
 17  7  2  0  0  0  0
 18 12  2  0  0  0  0
 19 11  2  0  0  0  0
 20 11  1  0  0  0  0
 21 19  1  0  0  0  0
 22 20  2  0  0  0  0
 23 29  1  0  0  0  0
 24  6  1  0  0  0  0
 25  6  1  0  0  0  0
 26 16  1  0  0  0  0
 27 26  2  0  0  0  0
 28 12  1  0  0  0  0
 29 25  1  0  0  0  0
 30 24  1  0  0  0  0
 31 27  1  0  0  0  0
 21 15  2  0  0  0  0
 30 23  1  0  0  0  0
 10  4  2  0  0  0  0
 27 18  1  0  0  0  0
M  END
>  <Mol_ID> (5,602)
5602

>  <Formula> (5,602)
C22H23N3O4S2

>  <MolWeight> (5,602)
457.56572

>  <COMPOUND_NAME> (5,602)
WAY-320024

>  <BAR_CODE_NO> (5,602)
295025

$$$$
WAY-320026
csChFnd80/06171916332D

 28 30  0  0  0  0  0  0  0  0999 V2000
   -2.5299    0.3045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2437   -0.0886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8162   -0.0886    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5299    1.1390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9575    0.3045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2437   -0.9231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1024    0.3045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2437    1.5562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9575    1.1390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9575   -1.3403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5299   -1.3403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3886   -0.1127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1024    1.1390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3252    0.3045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3886   -0.9231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0390   -0.1127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3252   -1.3403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7701    0.3045    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0390   -0.9231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4838    0.7218    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1873   -0.4024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3528    1.0355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1976    0.3045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1976   -0.5334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9114    0.7218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9114   -0.9231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6252    0.3045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6252   -0.5334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  7 13  2  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  2  0  0  0  0
 18 22  2  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
  8  9  1  0  0  0  0
 17 19  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (5,603)
5603

>  <Formula> (5,603)
C20H22N2O5S

>  <MolWeight> (5,603)
402.46408

>  <COMPOUND_NAME> (5,603)
WAY-320026

>  <BAR_CODE_NO> (5,603)
295027

$$$$
WAY-320028
csChFnd80/06171916332D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -0.7103    0.0108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0207    0.3143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3103    0.4281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -0.7650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6793    0.0971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0207    1.0626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0000    0.1281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2310    1.1971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4828   -1.0512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1690   -1.2236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2000    0.6143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8793   -0.6236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0931   -0.6236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6103    0.5660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9552    0.4488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9897    1.3867    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6310   -0.8133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3552   -1.1719    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7690   -0.9029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3000    0.2660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1690   -0.2857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4793    0.9971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3828   -0.4719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9000   -0.4650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2310    0.8143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4310    0.0660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  7 13  2  0  0  0  0
  7 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 12 18  2  0  0  0  0
 13 19  1  0  0  0  0
 14 20  2  0  0  0  0
 15 21  2  0  0  0  0
 15 22  1  0  0  0  0
 19 23  2  0  0  0  0
 21 24  1  0  0  0  0
 22 25  2  0  0  0  0
 24 26  2  0  0  0  0
  9 13  1  0  0  0  0
 17 21  1  0  0  0  0
 20 23  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (5,604)
5604

>  <Formula> (5,604)
C20H14O6

>  <MolWeight> (5,604)
350.32156

>  <COMPOUND_NAME> (5,604)
WAY-320028

>  <BAR_CODE_NO> (5,604)
295029

$$$$
WAY-320032
csChFnd80/06171916332D

 26 28  0  0  0  0  0  0  0  0999 V2000
    0.4540   -0.5576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3253   -0.0921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2609   -0.0679    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4540   -1.4576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1081   -0.5576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0885    0.3976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7471   -0.8748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7954    0.7390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3253   -1.9231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2367   -1.8990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9150   -0.0679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1081   -1.4576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8954   -0.0679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8874    0.8597    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7184   -0.5300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8954   -0.9955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6747    0.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6702    1.3252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6747   -1.4334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4574   -0.0679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6702    2.2252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4495    0.8597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4574   -0.9955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4495    2.6907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2322    1.3252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2322    2.2252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  2  0  0  0  0
 13 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 18 22  2  0  0  0  0
 19 23  1  0  0  0  0
 21 24  2  0  0  0  0
 22 25  1  0  0  0  0
 24 26  1  0  0  0  0
  9 12  2  0  0  0  0
 20 23  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <Mol_ID> (5,605)
5605

>  <Formula> (5,605)
C20H24N2O3S

>  <MolWeight> (5,605)
372.48116

>  <COMPOUND_NAME> (5,605)
WAY-320032

>  <BAR_CODE_NO> (5,605)
295033

$$$$
WAY-320039-A
csChFnd80/06171916332D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -0.8960   -1.2022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2132   -2.2987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2282   -0.8987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8718   -0.5677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3374   -2.3539    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4029   -3.1367    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5316    0.2013    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0385   -1.7367    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7512   -1.2815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7109   -2.8332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6282    0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8339   -0.8849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9178    1.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0132    0.2564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0316    1.9151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1075    2.3840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3040    3.0289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3695    3.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4523    3.8392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
  5  9  1  0  0  0  0
  8 10  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (5,606)
5606

>  <Formula> (5,606)
C15H15N3S

>  <MolWeight> (5,606)
269.3647

>  <COMPOUND_NAME> (5,606)
WAY-320039

>  <BAR_CODE_NO> (5,606)
295040

$$$$
WAY-320042
csChFnd80/06171916332D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -1.2625   -0.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8208    0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3708   -0.0500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.6333    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1625   -0.7167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.4708   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1125   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8208    1.0208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5125    0.8625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5500   -1.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5458   -0.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5500   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333   -0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1333    0.8625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9375   -1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792   -0.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792   -1.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4500   -1.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2625   -1.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2500   -1.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7708    1.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167   -2.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9000    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6500   -2.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6500   -1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3500   -2.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  1  0  0  0  0
  9  2  2  0  0  0  0
 10  4  2  0  0  0  0
 11  5  1  0  0  0  0
 12  7  2  0  0  0  0
 13  8  2  0  0  0  0
 14  8  1  0  0  0  0
 15  7  1  0  0  0  0
 16 18  1  0  0  0  0
 17 13  1  0  0  0  0
 18 14  2  0  0  0  0
 19 16  1  0  0  0  0
 20 11  2  0  0  0  0
 21 11  1  0  0  0  0
 22 15  1  0  0  0  0
 23 19  1  0  0  0  0
 24 22  1  0  0  0  0
 25 20  1  0  0  0  0
 26 21  2  0  0  0  0
 27 26  1  0  0  0  0
  3  5  1  0  0  0  0
 16 17  2  0  0  0  0
 27 25  2  0  0  0  0
M  END
>  <Mol_ID> (5,607)
5607

>  <Formula> (5,607)
C21H21NO5

>  <MolWeight> (5,607)
367.39514

>  <COMPOUND_NAME> (5,607)
WAY-320042

>  <BAR_CODE_NO> (5,607)
295043

$$$$
WAY-320049
csChFnd80/06171916332D

 18 19  0  0  0  0  0  0  0  0999 V2000
    0.5509    0.1569    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7560    0.1569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8889    0.1569    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5509   -1.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5509    1.4914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4215   -0.9707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4215    1.3087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5268   -0.9707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7716    1.1259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7284   -0.9707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7560   -2.1534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7284    1.3397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7560    2.4949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8337   -0.6948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0096   -2.2155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9854    0.5811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3973    0.1569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7042    0.1569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  1  5  2  0  0  0  0
  2  6  1  0  0  0  0
  2  7  2  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  6 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  2  0  0  0  0
  9 16  1  0  0  0  0
 10 17  1  0  0  0  0
 17 18  1  0  0  0  0
 12 17  2  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <Mol_ID> (5,608)
5608

>  <Formula> (5,608)
C13H17NO3S

>  <MolWeight> (5,608)
267.34398

>  <COMPOUND_NAME> (5,608)
WAY-320049

>  <BAR_CODE_NO> (5,608)
295050

$$$$
WAY-320056-A
csChFnd80/06171916332D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -1.5899    0.8519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9312   -0.2067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4968    0.8519    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3312    1.6623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0381   -0.8274    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0105   -0.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1588   -0.2067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3899    1.4209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7416    0.3726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9032   -0.5791    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1381    2.2140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1205   -1.6619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1968    1.9726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1584   -2.0170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9688   -1.2998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7619   -0.2067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0205   -1.6584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5895    0.5209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8584   -0.9274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6412    0.1623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  6  9  2  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
  5  7  1  0  0  0  0
  8  9  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (5,609)
5609

>  <Formula> (5,609)
C14H19N3O2S

>  <MolWeight> (5,609)
293.38456

>  <COMPOUND_NAME> (5,609)
WAY-320056

>  <BAR_CODE_NO> (5,609)
295057

$$$$
WAY-320057
csChFnd80/06171916332D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -0.2109   -0.4109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8489   -0.4109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0891    0.1270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2028   -0.8730    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1489    0.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1489   -0.9489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7028   -0.0109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7684   -0.6109    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7972    0.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7972   -0.9489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1891    0.3891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0972   -0.4109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7684    0.1511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0891    1.0063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7316   -0.4109    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2511    0.5511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5684    1.3891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1511    1.1684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
  7  8  2  0  0  0  0
 10 12  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (5,610)
5610

>  <Formula> (5,610)
C14H15ClN2O

>  <MolWeight> (5,610)
262.7347

>  <COMPOUND_NAME> (5,610)
WAY-320057

>  <BAR_CODE_NO> (5,610)
295058

$$$$
WAY-320058
csChFnd80/06171916332D

 20 23  0  0  0  0  0  0  0  0999 V2000
    0.4971    0.2757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8764   -0.3968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2857    0.2860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9074    0.9343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6660   -0.4140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4660   -1.0761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7340   -0.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7340    0.9343    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6971    0.9136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0867    0.2446    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0453   -1.1140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8557   -1.7761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4857   -0.1071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4857    0.6929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1143    1.5757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6350   -1.7968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1857   -0.5140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1857    1.0929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8754   -0.1243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8754    0.7136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 11 16  2  0  0  0  0
 13 17  2  0  0  0  0
 14 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
  9 10  1  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (5,611)
5611

>  <Formula> (5,611)
C17H12N2O

>  <MolWeight> (5,611)
260.28998

>  <COMPOUND_NAME> (5,611)
WAY-320058

>  <BAR_CODE_NO> (5,611)
295059

$$$$
WAY-320065
csChFnd80/06171916332D

 25 28  0  0  0  0  0  0  0  0999 V2000
    3.7167   -3.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0667   -3.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3667   -3.4375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2542   -2.3667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0667   -4.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9667   -1.6167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8667   -1.6042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4167   -3.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3667   -4.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4042   -2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7042   -4.5667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2875    0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2542   -0.9667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.0375    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9000   -0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0167   -4.5667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.0042   -0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4000   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667   -3.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542   -1.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4292    0.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0167   -5.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167   -3.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042   -2.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6375   -1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  7  1  0  0  0  0
  7  4  1  0  0  0  0
  8  2  1  0  0  0  0
  9  3  2  0  0  0  0
 10  8  1  0  0  0  0
 11  9  1  0  0  0  0
 12 15  1  0  0  0  0
 13  7  1  0  0  0  0
 14 18  1  0  0  0  0
 15 13  1  0  0  0  0
 16  9  1  0  0  0  0
 17 13  1  0  0  0  0
 18 17  1  0  0  0  0
 19  8  2  0  0  0  0
 20 10  2  0  0  0  0
 21 14  1  0  0  0  0
 22 16  1  0  0  0  0
 23 19  1  0  0  0  0
 24 23  2  0  0  0  0
 25  6  1  0  0  0  0
 11  5  2  0  0  0  0
  6 10  1  0  0  0  0
 24 20  1  0  0  0  0
 12 14  2  0  0  0  0
M  END
>  <Mol_ID> (5,612)
5612

>  <Formula> (5,612)
C18H20N4OS

>  <MolWeight> (5,612)
340.4426

>  <COMPOUND_NAME> (5,612)
WAY-320065

>  <BAR_CODE_NO> (5,612)
295066

$$$$
WAY-320080
csChFnd80/06171916332D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.5138   -0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7138   -0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000   -0.2660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1518   -2.0074    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4035    0.0995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0759   -2.0074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5172   -0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000    0.9340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1311   -2.6971    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5656    0.0995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0414    1.2236    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5689   -0.2660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5172    1.5133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5518    1.5512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9276    1.2236    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.9828    1.9133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5689    0.9340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6241   -0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5862    1.5512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6758   -0.2660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  2  0  0  0  0
  8 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  2  0  0  0  0
 12 17  2  0  0  0  0
 12 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
  6  9  1  0  0  0  0
 13 17  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (5,613)
5613

>  <Formula> (5,613)
C14H13N3O2S

>  <MolWeight> (5,613)
287.33692

>  <COMPOUND_NAME> (5,613)
WAY-320080

>  <BAR_CODE_NO> (5,613)
295081

$$$$
WAY-320081
csChFnd80/06171916332D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.8747   -1.2686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9437   -1.2686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5563    0.0210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5505   -2.2962    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5471   -0.3997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2781   -2.2962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6253    1.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4701   -0.5824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4092   -2.9272    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8023    0.3728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5023    0.0659    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5943    1.5831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7426    1.6934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4115   -0.0617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3505    1.3279    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.3333    1.1314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4805    1.0348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3529   -0.6790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0919    1.9038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4495    1.5555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  2  0  0  0  0
 10 15  1  0  0  0  0
 11 16  2  0  0  0  0
 12 17  2  0  0  0  0
 14 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
  6  9  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (5,614)
5614

>  <Formula> (5,614)
C14H13N3O2S

>  <MolWeight> (5,614)
287.33692

>  <COMPOUND_NAME> (5,614)
WAY-320081

>  <BAR_CODE_NO> (5,614)
295082

$$$$
WAY-320082
csChFnd80/06171916332D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -1.6069    0.8276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9103    0.3862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2448    0.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7448    1.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1207   -0.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1448    0.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9448   -0.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0207    0.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5207    1.9379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6000   -1.0517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5034    0.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3966   -1.1586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1483    1.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2690    0.4862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3793   -0.6345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9172   -0.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8000   -0.8379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6793    0.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4414   -1.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3310   -0.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2138   -1.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8690   -1.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  2  0  0  0  0
 11 14  1  0  0  0  0
 11 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 21 22  1  0  0  0  0
  5  7  1  0  0  0  0
  9 13  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (5,615)
5615

>  <Formula> (5,615)
C17H14N2O3

>  <MolWeight> (5,615)
294.30466

>  <COMPOUND_NAME> (5,615)
WAY-320082

>  <BAR_CODE_NO> (5,615)
295083

$$$$
WAY-320083
csChFnd80/06171916332D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -0.6898   -0.1946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6898   -1.2015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1723    0.3261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5553    0.3261    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5553   -1.6911    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1723   -1.6911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1723    1.3330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0654   -0.1635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4174   -0.1635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4174   -1.2015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0654   -1.2015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0654    1.8227    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6898    1.8502    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2794    0.3261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2794   -1.7187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9275    1.3330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1725   -0.1635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1725   -1.2291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7895    1.8227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8999    0.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6551    1.3330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7620   -0.1946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6551    0.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5171   -0.2498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  7 13  2  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 12 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  2  0  0  0  0
 16 19  2  0  0  0  0
 16 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
 23 24  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
 17 18  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (5,616)
5616

>  <Formula> (5,616)
C20H15N3O

>  <MolWeight> (5,616)
313.3526

>  <COMPOUND_NAME> (5,616)
WAY-320083

>  <BAR_CODE_NO> (5,616)
295084

$$$$
WAY-320093
csChFnd80/06171916332D

 36 40  0  0  0  0  0  0  0  0999 V2000
   -0.3125    0.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0375   -0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3125   -0.8792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708   -0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8333   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8625   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3458    0.1625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5375    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458    0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458   -0.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8625   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500   -0.3875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542   -0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3208    0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1000    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8333   -0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667    0.5833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8375    0.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3208    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7958   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3792   -0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3792    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6792   -0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3625   -0.9292    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.2292    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3125    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4042    0.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4292   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8125    0.9333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8000    0.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3000    0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9500    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8208    0.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9500   -0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  8  1  0  0  0  0
  7 10  2  0  0  0  0
  8  7  1  0  0  0  0
  9 13  1  0  0  0  0
 10  4  1  0  0  0  0
 11  5  1  0  0  0  0
 12  7  1  0  0  0  0
 13 25  1  0  0  0  0
 14  2  1  0  0  0  0
 15  6  1  0  0  0  0
 16  9  1  0  0  0  0
 17  6  2  0  0  0  0
 18  9  2  0  0  0  0
 19 14  1  0  0  0  0
 20 14  2  0  0  0  0
 21 15  2  0  0  0  0
 22 15  1  0  0  0  0
 23 16  2  0  0  0  0
 24 16  1  0  0  0  0
 25 30  2  0  0  0  0
 26 12  1  0  0  0  0
 27 34  1  0  0  0  0
 28 33  1  0  0  0  0
 29 19  2  0  0  0  0
 30 20  1  0  0  0  0
 31 28  1  0  0  0  0
 32 27  1  0  0  0  0
 33 22  2  0  0  0  0
 34 24  2  0  0  0  0
 35 21  1  0  0  0  0
 36 23  1  0  0  0  0
  3  5  1  0  0  0  0
 12 11  2  0  0  0  0
 29 25  1  0  0  0  0
 35 28  2  0  0  0  0
 36 27  2  0  0  0  0
M  END
>  <Mol_ID> (5,617)
5617

>  <Formula> (5,617)
C27H21ClN6O2

>  <MolWeight> (5,617)
496.94764

>  <COMPOUND_NAME> (5,617)
WAY-320093

>  <BAR_CODE_NO> (5,617)
295094

$$$$
WAY-320103
csChFnd80/06171916332D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -1.0625    1.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7500    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042    1.7708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1500    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7708    2.9625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0500    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1042   -0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4292    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4292   -1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0500   -1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542   -0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0625   -0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708    1.7625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5500   -0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8458   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1500   -3.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2708    1.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7500   -1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2042   -1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1458   -1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5500   -3.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  1  2  0  0  0  0
  6  3  1  0  0  0  0
  7  8  1  0  0  0  0
  8  6  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11  6  1  0  0  0  0
 12  2  1  0  0  0  0
 13  4  1  0  0  0  0
 14  7  2  0  0  0  0
 15  4  1  0  0  0  0
 16  9  2  0  0  0  0
 17 13  1  0  0  0  0
 18 12  2  0  0  0  0
 19 14  1  0  0  0  0
 20 18  1  0  0  0  0
 21 16  1  0  0  0  0
 20 15  2  0  0  0  0
  9  7  1  0  0  0  0
 21 19  2  0  0  0  0
M  END
>  <Mol_ID> (5,618)
5618

>  <Formula> (5,618)
C18H14O3

>  <MolWeight> (5,618)
278.30196

>  <COMPOUND_NAME> (5,618)
WAY-320103

>  <BAR_CODE_NO> (5,618)
295104

$$$$
WAY-320104
csChFnd80/06171916332D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.4208    1.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0000    1.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000    0.6125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3500    3.3833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7958    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4000   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8333    3.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9833   -0.7542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7500    2.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3500    2.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042   -2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2000    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4458    0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2042   -2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4708    3.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8500   -3.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2708    1.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4500   -3.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  1  2  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  2  2  0  0  0  0
 10  7  1  0  0  0  0
 11  4  2  0  0  0  0
 12 11  1  0  0  0  0
 13  5  2  0  0  0  0
 14 12  2  0  0  0  0
 15  7  2  0  0  0  0
 16  8  2  0  0  0  0
 17 10  1  0  0  0  0
 18  9  1  0  0  0  0
 19 13  1  0  0  0  0
 20 18  2  0  0  0  0
 21 19  2  0  0  0  0
 15 20  1  0  0  0  0
 14  8  1  0  0  0  0
 16 21  1  0  0  0  0
M  END
>  <Mol_ID> (5,619)
5619

>  <Formula> (5,619)
C18H14O3

>  <MolWeight> (5,619)
278.30196

>  <COMPOUND_NAME> (5,619)
WAY-320104

>  <BAR_CODE_NO> (5,619)
295105

$$$$
WAY-320109-A
csChFnd80/06171916332D

 26 30  0  0  0  0  0  0  0  0999 V2000
   -1.2378   -0.4629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8344    0.3578    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2585   -0.1767    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8344   -1.2836    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8137    0.0578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2206    1.1854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2447    0.8544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5553   -0.7974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8137   -0.9767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6964    0.5647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5277    1.4923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5105   -0.3836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6964   -1.4905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5964    0.0578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3277    2.5026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4898    1.1613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3381   -0.9767    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5964   -0.9767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1243    3.1751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2656    1.8061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2105   -2.0112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2656   -0.5629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0829    2.8337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0587   -2.6043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0932   -1.1560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9932   -2.1905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  2  0  0  0  0
 11 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 13 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  2  0  0  0  0
 17 21  1  0  0  0  0
 17 22  1  0  0  0  0
 19 23  2  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
 24 26  1  0  0  0  0
  5  9  2  0  0  0  0
  6  7  2  0  0  0  0
 14 18  1  0  0  0  0
 20 23  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (5,620)
5620

>  <Formula> (5,620)
C21H22N4O

>  <MolWeight> (5,620)
346.42558

>  <COMPOUND_NAME> (5,620)
WAY-320109

>  <BAR_CODE_NO> (5,620)
295110

$$$$
WAY-320110
csChFnd80/06171916332D

 21 24  0  0  0  0  0  0  0  0999 V2000
   -2.4658   -0.9762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7658   -0.0141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4693   -0.9762    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1279   -1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9658    0.5342    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7279    0.1859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1693   -0.0382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8969   -1.8141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0934   -1.4865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3934   -0.5486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2348    0.2859    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5204   -0.3520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4825   -0.0382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6928    0.9135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2204   -0.7037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6307    1.2480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1583   -0.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3583    0.5652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0342    2.1618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2204    1.0721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9928    2.0618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
  5  7  2  0  0  0  0
  9 10  1  0  0  0  0
 17 18  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (5,621)
5621

>  <Formula> (5,621)
C16H15N3O2

>  <MolWeight> (5,621)
281.3092

>  <COMPOUND_NAME> (5,621)
WAY-320110

>  <BAR_CODE_NO> (5,621)
295111

$$$$
WAY-320116
csChFnd80/06171916332D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -0.3489    0.5883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6136    0.5883    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8864    1.3633    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8864   -0.1950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8239    0.0925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8239    1.0633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5761    0.5883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6136   -0.3742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6136    1.5425    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5531   -1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0636   -0.2575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6656   -0.3867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6656    1.5550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0136   -0.2575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5844   -1.0742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4990    0.0925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4990    1.0633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0761   -1.9117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4969   -1.0742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0011   -1.9117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8  2  2  0  0  0  0
  9  2  2  0  0  0  0
 10  4  1  0  0  0  0
 11  7  1  0  0  0  0
 12  5  1  0  0  0  0
 13  6  1  0  0  0  0
 14 11  1  0  0  0  0
 15 11  2  0  0  0  0
 16 12  2  0  0  0  0
 17 13  2  0  0  0  0
 18 15  1  0  0  0  0
 19 14  2  0  0  0  0
 20 18  2  0  0  0  0
  6  5  2  0  0  0  0
 17 16  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (5,622)
5622

>  <Formula> (5,622)
C15H14N2O2S

>  <MolWeight> (5,622)
286.34886

>  <COMPOUND_NAME> (5,622)
WAY-320116

>  <BAR_CODE_NO> (5,622)
295117

$$$$
WAY-320129
csChFnd80/06171916332D

 19 21  0  0  0  0  0  0  0  0999 V2000
    1.5347   -0.3617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7140   -0.3651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0174   -1.0237    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0105    0.3073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2968    0.3487    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3036   -1.0824    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8105   -0.7686    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8036    0.0521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7450    1.0797    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.5274    0.3487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4761   -1.2617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0170    1.0176    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0170   -0.3306    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8101    0.7590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8101   -0.0824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5239    1.1694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5239   -0.4858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2412    0.7521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2412   -0.0720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  7 11  1  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
  7  8  1  0  0  0  0
 14 15  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (5,623)
5623

>  <Formula> (5,623)
C12H9ClN4OS

>  <MolWeight> (5,623)
292.74406

>  <COMPOUND_NAME> (5,623)
WAY-320129

>  <BAR_CODE_NO> (5,623)
295130

$$$$
WAY-320131
csChFnd80/06171916332D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -1.6125   -1.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667   -0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7292    0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333   -2.6667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9000    0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208   -0.7000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4792    1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7833   -1.6667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667    1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9000    2.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5167   -0.7000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7292    2.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167   -2.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5167    3.4000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.6208    0.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   -1.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000   -3.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8167   -1.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9667   -3.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  6  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  5  2  0  0  0  0
  8  1  2  0  0  0  0
  9  3  2  0  0  0  0
 10 12  2  0  0  0  0
 11  5  1  0  0  0  0
 12  9  1  0  0  0  0
 13  4  1  0  0  0  0
 14 10  1  0  0  0  0
 15  6  1  0  0  0  0
 16 13  1  0  0  0  0
 17 13  1  0  0  0  0
 18 16  1  0  0  0  0
 19 17  1  0  0  0  0
 19 18  1  0  0  0  0
 10  7  1  0  0  0  0
M  END
>  <Mol_ID> (5,624)
5624

>  <Formula> (5,624)
C14H17Cl2NO2

>  <MolWeight> (5,624)
302.19628

>  <COMPOUND_NAME> (5,624)
WAY-320131

>  <BAR_CODE_NO> (5,624)
295132

$$$$
WAY-320137
csChFnd80/06171916332D

 24 27  0  0  0  0  0  0  0  0999 V2000
    5.5375   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1500   -2.0792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9167   -2.0792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000   -2.3042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.2792   -3.5667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9292   -3.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0542   -3.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8292   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3042   -3.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8875   -3.1375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6875   -1.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8292   -1.0292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.9375   -1.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1667   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6167   -1.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4500   -1.9667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.3375   -4.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8500   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1292   -2.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7375   -1.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8667   -5.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1292   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4167   -2.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  2  1  0  0  0  0
  7  5  1  0  0  0  0
  8  2  1  0  0  0  0
  9  3  2  0  0  0  0
 10  8  2  0  0  0  0
 11  9  1  0  0  0  0
 12  5  1  0  0  0  0
 13 12  1  0  0  0  0
 14 12  2  0  0  0  0
 15 13  1  0  0  0  0
 16 14  1  0  0  0  0
 17  9  1  0  0  0  0
 18  8  1  0  0  0  0
 19 10  1  0  0  0  0
 20 17  1  0  0  0  0
 21 20  1  0  0  0  0
 22 18  2  0  0  0  0
 23 22  1  0  0  0  0
 24 21  1  0  0  0  0
 11  6  2  0  0  0  0
 10  7  1  0  0  0  0
 15 16  2  0  0  0  0
 23 19  2  0  0  0  0
M  END
>  <Mol_ID> (5,625)
5625

>  <Formula> (5,625)
C17H16N4OS2

>  <MolWeight> (5,625)
356.46514

>  <COMPOUND_NAME> (5,625)
WAY-320137

>  <BAR_CODE_NO> (5,625)
295138

$$$$
WAY-320139
csChFnd80/06171916332D

 32 36  0  0  0  0  0  0  0  0999 V2000
    6.1042   -4.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3542   -4.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3792   -4.7792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8000   -5.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5667   -3.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8875   -3.5292    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.5542   -2.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1667   -4.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9167   -3.6292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1542   -3.7042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2042   -2.8500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9042   -2.1292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1375   -2.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667   -3.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8667   -2.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542   -2.5042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1042   -4.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5167   -3.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6167   -3.6375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.4667   -5.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9042   -1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3792   -1.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6292   -4.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3000   -5.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667   -3.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167   -3.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4042   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1500   -0.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208   -3.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0292   -5.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3542   -4.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5542   -5.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5 10  1  0  0  0  0
  6  2  1  0  0  0  0
  7  5  2  0  0  0  0
  8  2  1  0  0  0  0
  9  5  1  0  0  0  0
 10  6  1  0  0  0  0
 11  6  1  0  0  0  0
 12  7  1  0  0  0  0
 13 15  2  0  0  0  0
 14  9  2  0  0  0  0
 15 11  1  0  0  0  0
 16 14  1  0  0  0  0
 17  3  1  0  0  0  0
 18  1  1  0  0  0  0
 19 14  1  0  0  0  0
 20  8  1  0  0  0  0
 21 13  1  0  0  0  0
 22 15  1  0  0  0  0
 23 17  2  0  0  0  0
 24 17  1  0  0  0  0
 25 19  1  0  0  0  0
 26 25  1  0  0  0  0
 27 28  1  0  0  0  0
 28 22  2  0  0  0  0
 29 26  1  0  0  0  0
 30 24  2  0  0  0  0
 31 23  1  0  0  0  0
 32 30  1  0  0  0  0
  4  8  2  0  0  0  0
 31 32  2  0  0  0  0
  7 13  1  0  0  0  0
 21 27  2  0  0  0  0
 16 12  2  0  0  0  0
M  END
>  <Mol_ID> (5,626)
5626

>  <Formula> (5,626)
C23H22N6O2S

>  <MolWeight> (5,626)
446.52478

>  <COMPOUND_NAME> (5,626)
WAY-320139

>  <BAR_CODE_NO> (5,626)
295140

$$$$
WAY-320144
csChFnd80/06171916332D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -0.3962    1.5140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1858    1.1243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4659    1.5347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8548    2.2450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6962    1.8140    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6962    0.4140    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9245    0.7761    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8763    2.2968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4134    3.0140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5134    1.5657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5134    0.6761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5142   -0.0136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4142    3.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2755    1.9968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2755    0.2347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9763   -0.7757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3651   -0.0653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0444    1.5657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0444    0.6761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5659   -1.5653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8659   -0.7550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0245   -2.3032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3038   -1.4964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9142   -2.2550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6142   -3.0964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1970   -1.4653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4038   -2.9964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0763   -3.8343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6038   -0.6964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5349   -3.1653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 17  2  0  0  0  0
 14 18  2  0  0  0  0
 15 19  2  0  0  0  0
 16 20  1  0  0  0  0
 16 21  2  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 23 26  1  0  0  0  0
 24 27  1  0  0  0  0
 25 28  1  0  0  0  0
 26 29  1  0  0  0  0
 27 30  1  0  0  0  0
  9 13  1  0  0  0  0
 10 11  2  0  0  0  0
 18 19  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (5,627)
5627

>  <Formula> (5,627)
C23H21N3O4

>  <MolWeight> (5,627)
403.43054

>  <COMPOUND_NAME> (5,627)
WAY-320144

>  <BAR_CODE_NO> (5,627)
295145

$$$$
WAY-320155
csChFnd80/06171916332D

 26 28  0  0  0  0  0  0  0  0999 V2000
    1.4667   -1.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4667   -2.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.3375    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.7500   -3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0375   -2.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1875   -1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0375   -1.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0375   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708   -3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1875   -0.5167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708    1.1333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9000   -1.7667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1875   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4667   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4667    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6167   -1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1000    1.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3833   -0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3375   -1.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0958   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8125    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8125   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  8  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  3  1  0  0  0  0
  9  7  1  0  0  0  0
 10  5  2  0  0  0  0
 11  6  2  0  0  0  0
 12  9  2  0  0  0  0
 13 12  1  0  0  0  0
 14  6  1  0  0  0  0
 15  2  1  0  0  0  0
 16 13  1  0  0  0  0
 17  7  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 14  1  0  0  0  0
 21 16  2  0  0  0  0
 22 16  1  0  0  0  0
 23 20  1  0  0  0  0
 24 22  2  0  0  0  0
 25 21  1  0  0  0  0
 26 24  1  0  0  0  0
  4  5  1  0  0  0  0
 12 19  1  0  0  0  0
 26 25  2  0  0  0  0
M  END
>  <Mol_ID> (5,628)
5628

>  <Formula> (5,628)
C21H21NO4

>  <MolWeight> (5,628)
351.39574

>  <COMPOUND_NAME> (5,628)
WAY-320155

>  <BAR_CODE_NO> (5,628)
295156

$$$$
WAY-320158
csChFnd80/06171916332D

 18 19  0  0  0  0  0  0  0  0999 V2000
    2.2276    0.3720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9345   -0.3763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5345   -0.3590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2276    1.8720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3724    0.3617    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8345    0.3824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5345   -1.8383    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.5138    2.6410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9345    2.5996    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.6724   -0.3763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8345    1.8893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9517    0.3617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6724   -1.8728    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2345   -0.3763    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9517    1.8410    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9517   -2.6107    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2345   -1.8728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5345   -2.6383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  2  0  0  0  0
  8 11  2  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (5,629)
5629

>  <Formula> (5,629)
C10H7ClFN3O2S

>  <MolWeight> (5,629)
287.6978832

>  <COMPOUND_NAME> (5,629)
WAY-320158

>  <BAR_CODE_NO> (5,629)
295159

$$$$
WAY-320165
csChFnd80/06171916332D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -4.3500   -0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7500   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3333    0.3833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9333   -0.3292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1583    0.3833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7500    0.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1125   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1583   -0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5333   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1333   -0.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7125   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7500   -0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3125   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7125    0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5500   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1583   -1.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2958    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9125   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5708   -0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8958    0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  6  1  0  0  0  0
  6  3  2  0  0  0  0
  7  9  1  0  0  0  0
  8  2  1  0  0  0  0
  9  4  1  0  0  0  0
 10  7  2  0  0  0  0
 11  7  1  0  0  0  0
 12  2  1  0  0  0  0
 13 11  2  0  0  0  0
 14 11  1  0  0  0  0
 15  8  1  0  0  0  0
 16 12  2  0  0  0  0
 17 14  2  0  0  0  0
 18 13  1  0  0  0  0
 19 16  1  0  0  0  0
 20 17  1  0  0  0  0
  5  8  2  0  0  0  0
 15 19  2  0  0  0  0
 18 20  2  0  0  0  0
M  END
>  <Mol_ID> (5,630)
5630

>  <Formula> (5,630)
C16H12N2OS

>  <MolWeight> (5,630)
280.34428

>  <COMPOUND_NAME> (5,630)
WAY-320165

>  <BAR_CODE_NO> (5,630)
295166

$$$$
WAY-320187
csChFnd80/06171916332D

 28 32  0  0  0  0  0  0  0  0999 V2000
   -0.8458    1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0625    1.9958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833    0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542   -1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000    1.3708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208    2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458   -2.1042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833   -0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167   -1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458   -0.9292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000   -2.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0167   -2.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8208    0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4625    3.0333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542   -0.3667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1625    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8208   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1625    1.3958    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.6167    2.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542   -3.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6167   -2.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1375    3.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792    2.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542   -3.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6792   -3.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  8  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8 11  1  0  0  0  0
  9  4  2  0  0  0  0
 10  5  1  0  0  0  0
 11 17  1  0  0  0  0
 12  7  1  0  0  0  0
 13  9  1  0  0  0  0
 14  3  1  0  0  0  0
 15  3  2  0  0  0  0
 16  6  1  0  0  0  0
 17 15  1  0  0  0  0
 18  8  2  0  0  0  0
 19 14  2  0  0  0  0
 20 17  2  0  0  0  0
 21 14  1  0  0  0  0
 22 10  1  0  0  0  0
 23 12  1  0  0  0  0
 24 13  1  0  0  0  0
 25 16  2  0  0  0  0
 26 22  2  0  0  0  0
 27 23  2  0  0  0  0
 28 24  2  0  0  0  0
  6 10  2  0  0  0  0
 25 26  1  0  0  0  0
 19 20  1  0  0  0  0
 12 13  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (5,631)
5631

>  <Formula> (5,631)
C21H12ClN3O3

>  <MolWeight> (5,631)
389.79128

>  <COMPOUND_NAME> (5,631)
WAY-320187

>  <BAR_CODE_NO> (5,631)
295188

$$$$
WAY-320193
csChFnd80/06171916332D

 24 28  0  0  0  0  0  0  0  0999 V2000
   -0.0125   -0.4375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0125    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5958    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1375    0.2458    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.5667   -0.7792    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.1375   -0.4375    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.5958   -0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667    1.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5958    1.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1625    0.2458    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.5667   -1.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1625   -0.4375    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.0125    1.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7875    0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8125    0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1542   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1833   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0125   -1.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7875   -0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1375   -1.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8125   -0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1625    1.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1375    1.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  0  0  0  0
  5  7  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  1  1  0  0  0  0
  9  3  1  0  0  0  0
 10  4  2  0  0  0  0
 11 13  1  0  0  0  0
 12  6  1  0  0  0  0
 13  8  1  0  0  0  0
 14 10  1  0  0  0  0
 15  5  1  0  0  0  0
 16 11  1  0  0  0  0
 17 20  1  0  0  0  0
 18 22  1  0  0  0  0
 19 12  2  0  0  0  0
 20  7  1  0  0  0  0
 21 12  1  0  0  0  0
 22 13  1  0  0  0  0
 23 10  1  0  0  0  0
 24  9  1  0  0  0  0
  4 11  1  0  0  0  0
  5  3  1  0  0  0  0
 18 16  2  0  0  0  0
 17 15  2  0  0  0  0
 14  9  2  0  0  0  0
M  END
>  <Mol_ID> (5,632)
5632

>  <Formula> (5,632)
C21H23NO2

>  <MolWeight> (5,632)
321.41282

>  <COMPOUND_NAME> (5,632)
WAY-320193

>  <BAR_CODE_NO> (5,632)
295194

$$$$
WAY-320207
csChFnd80/06171916332D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -0.6377   -0.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2550   -0.9690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2550    0.3172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3757   -0.3379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6377   -1.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5002    0.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7550   -0.9690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3757   -1.6069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2377   -2.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8830    0.9483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5968    1.6483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6243    0.9931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1485    2.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7761    1.7483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
  7  8  2  0  0  0  0
 13 14  2  0  0  0  0
M  END
>  <Mol_ID> (5,633)
5633

>  <Formula> (5,633)
C10H11N3O

>  <MolWeight> (5,633)
189.21384

>  <COMPOUND_NAME> (5,633)
WAY-320207

>  <BAR_CODE_NO> (5,633)
295208

$$$$
WAY-320219
csChFnd80/06171916332D

 31 34  0  0  0  0  0  0  0  0999 V2000
    4.0792   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6542   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6542   -2.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0792   -2.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3542   -1.0667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8042   -1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3542   -2.7167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9500   -1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9500   -2.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -2.3000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2375   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5167   -1.4542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8042   -0.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167   -2.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9500   -0.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3542   -0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0792    1.0125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958   -2.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167   -3.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9125   -3.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8042   -2.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958   -3.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9125   -2.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6333   -3.9667    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.0792    0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2375   -1.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3500    1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6375    0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2500   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9500   -1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6292    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  2  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8  2  1  0  0  0  0
  9  3  1  0  0  0  0
 10 11  1  0  0  0  0
 11  8  1  0  0  0  0
 12  6  1  0  0  0  0
 13  6  2  0  0  0  0
 14 10  1  0  0  0  0
 15  8  2  0  0  0  0
 16  5  1  0  0  0  0
 17 25  1  0  0  0  0
 18 14  2  0  0  0  0
 19 14  1  0  0  0  0
 20 22  1  0  0  0  0
 21  4  1  0  0  0  0
 22 19  2  0  0  0  0
 23 18  1  0  0  0  0
 24 20  1  0  0  0  0
 25 16  2  0  0  0  0
 26 12  1  0  0  0  0
 27 31  1  0  0  0  0
 28 16  1  0  0  0  0
 29 26  1  0  0  0  0
 30 26  1  0  0  0  0
 31 28  2  0  0  0  0
  7  3  1  0  0  0  0
 27 17  2  0  0  0  0
 10  9  1  0  0  0  0
 20 23  2  0  0  0  0
M  END
>  <Mol_ID> (5,634)
5634

>  <Formula> (5,634)
C25H25ClN2O3

>  <MolWeight> (5,634)
436.9306

>  <COMPOUND_NAME> (5,634)
WAY-320219

>  <BAR_CODE_NO> (5,634)
295220

$$$$
WAY-320248
csChFnd80/06171916332D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -0.1891    0.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9511    0.5624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5696    0.5624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1891   -0.7790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9511    1.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7097    0.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3316    0.1003    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5696    1.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9511   -1.2169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5696   -1.2169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1891    1.8831    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7097    1.8831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4684    0.5624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0903    0.5624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3316   -0.7790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3489    1.8831    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9511   -2.0997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5696   -2.0997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4684    1.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2511    0.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8489    0.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0903   -1.2169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1891   -2.5376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8489   -0.7790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  2  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8 16  2  0  0  0  0
  9 17  2  0  0  0  0
 10 18  1  0  0  0  0
 12 19  2  0  0  0  0
 13 20  1  0  0  0  0
 14 21  1  0  0  0  0
 15 22  1  0  0  0  0
 17 23  1  0  0  0  0
 21 24  1  0  0  0  0
  8 11  1  0  0  0  0
 13 19  1  0  0  0  0
 18 23  2  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <Mol_ID> (5,635)
5635

>  <Formula> (5,635)
C20H20N2O2

>  <MolWeight> (5,635)
320.385

>  <COMPOUND_NAME> (5,635)
WAY-320248

>  <BAR_CODE_NO> (5,635)
295249

$$$$
WAY-320252
csChFnd80/06171916332D

 21 23  0  0  0  0  0  0  0  0999 V2000
    1.9000   -0.7167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000    0.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9000    0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4000   -1.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000    1.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5000   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4000    1.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5000    0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0042    1.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6208   -1.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6208    1.1458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -2.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1042    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0375    2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7083   -0.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7083    0.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1500    2.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2167    1.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2375    2.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  5  2  0  0  0  0
  4  1  2  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8  6  2  0  0  0  0
  9  2  1  0  0  0  0
 10  8  1  0  0  0  0
 11  4  1  0  0  0  0
 12  8  1  0  0  0  0
 13 10  1  0  0  0  0
 14  5  1  0  0  0  0
 15 11  2  0  0  0  0
 16 11  1  0  0  0  0
 17 12  1  0  0  0  0
 18 13  1  0  0  0  0
 19 16  2  0  0  0  0
 20 15  1  0  0  0  0
 21 19  1  0  0  0  0
  2  7  2  0  0  0  0
  9 10  2  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (5,636)
5636

>  <Formula> (5,636)
C18H17NO2

>  <MolWeight> (5,636)
279.33308

>  <COMPOUND_NAME> (5,636)
WAY-320252

>  <BAR_CODE_NO> (5,636)
295253

$$$$
WAY-320269
csChFnd80/06171916332D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -1.8833   -0.6792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4958   -1.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4833   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3458   -0.6792    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.7333   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042   -0.6792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7875   -0.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8833   -2.0292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458    0.6708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9667   -0.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8042   -1.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8042    0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1792   -0.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5792   -1.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5792    0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000   -1.3542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6125   -0.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  7 10  1  0  0  0  0
  8  2  2  0  0  0  0
  9  3  2  0  0  0  0
 10 15  1  0  0  0  0
 11  6  1  0  0  0  0
 12  6  1  0  0  0  0
 13  7  2  0  0  0  0
 14 11  1  0  0  0  0
 15 12  1  0  0  0  0
 16  7  1  0  0  0  0
 17  1  1  0  0  0  0
  5  4  1  0  0  0  0
 10 14  1  0  0  0  0
M  END
>  <Mol_ID> (5,637)
5637

>  <Formula> (5,637)
C11H17N3O3

>  <MolWeight> (5,637)
239.27098

>  <COMPOUND_NAME> (5,637)
WAY-320269

>  <BAR_CODE_NO> (5,637)
295270

$$$$
WAY-320272-A
csChFnd80/06171916332D

 19 21  0  0  0  0  0  0  0  0999 V2000
    2.8195   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8395    0.6558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8395   -0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695   -1.0542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695    1.0558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2805   -1.3042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4005   -0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1195   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2805    1.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4005    0.6558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6605    0.6558    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5205   -1.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6605   -0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5205    1.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7695   -1.1542    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.4695    2.2958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7795    1.0958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1005   -1.8142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9505   -0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  2  0  0  0  0
  6  3  1  0  0  0  0
  7  6  2  0  0  0  0
  8  1  1  0  0  0  0
  9  2  1  0  0  0  0
 10  9  2  0  0  0  0
 11 14  1  0  0  0  0
 12  7  1  0  0  0  0
 13 12  1  0  0  0  0
 14 10  1  0  0  0  0
 15  8  1  0  0  0  0
 16  5  1  0  0  0  0
 17  8  2  0  0  0  0
 18 13  1  0  0  0  0
 19 13  1  0  0  0  0
  3  2  2  0  0  0  0
 10  7  1  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <Mol_ID> (5,638)
5638

>  <Formula> (5,638)
C13H13N2O2S2-

>  <MolWeight> (5,638)
293.38452

>  <COMPOUND_NAME> (5,638)
WAY-320272

>  <BAR_CODE_NO> (5,638)
295273

$$$$
WAY-320276
csChFnd80/06171916332D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -1.1846    1.3629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0260    1.3629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8812    0.4008    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8812    2.2698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5705    0.3560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5705    2.3491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9846    0.7629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9846    1.9215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292    0.3560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292    2.3491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9915    0.1801    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9915    2.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2981   -0.6509    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2981    1.3629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9984    0.7629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9984    1.9215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292   -1.6578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4602    1.3629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2981   -2.6647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5705   -1.6578    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4602   -2.7923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8326   -3.7268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6912   -3.9337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6843   -4.5026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  2  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
  7  8  2  0  0  0  0
 10 14  2  0  0  0  0
 15 16  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (5,639)
5639

>  <Formula> (5,639)
C18H13N3O3

>  <MolWeight> (5,639)
319.31412

>  <COMPOUND_NAME> (5,639)
WAY-320276

>  <BAR_CODE_NO> (5,639)
295277

$$$$
WAY-320278
csChFnd80/06171916332D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.2343   -0.0899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8860   -0.4657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2343    0.6619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4140   -0.4657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5343   -0.0899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8860   -1.2140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8860    1.0343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0657   -0.0899    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4140   -1.2140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5343    0.6619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2343   -1.5899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8860    1.7860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7140   -0.4657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1860    1.0343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5343    2.1619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7933   -1.2071    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3968   -0.1554    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1860    1.7860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5278   -1.3657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8968   -0.7140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
 10 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
  7 10  1  0  0  0  0
 15 18  2  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (5,640)
5640

>  <Formula> (5,640)
C15H12N2O2S

>  <MolWeight> (5,640)
284.33298

>  <COMPOUND_NAME> (5,640)
WAY-320278

>  <BAR_CODE_NO> (5,640)
295279

$$$$
WAY-320302
csChFnd80/06171916332D

 21 24  0  0  0  0  0  0  0  0999 V2000
   -0.1139    0.3227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4739   -0.1573    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4739    0.8117    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0469    0.0287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4831    0.3227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7771   -0.1963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0469    0.6287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3741   -0.1963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5659   -0.2743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6801   -0.7153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5659    0.9287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0849    0.0287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2771   -0.7153    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.6009   -0.2743    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0849    0.6287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4831   -0.7153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7771    0.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6801    0.3227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3741    0.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7771   -1.2313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3741   -1.2313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7  3  1  0  0  0  0
  8  6  1  0  0  0  0
  9  4  1  0  0  0  0
 10  8  2  0  0  0  0
 11  7  1  0  0  0  0
 12  9  2  0  0  0  0
 13 10  1  0  0  0  0
 14 12  1  0  0  0  0
 11 15  2  0  0  0  0
  6 16  2  0  0  0  0
 17  5  2  0  0  0  0
 18 19  2  0  0  0  0
 19 17  1  0  0  0  0
 20 16  1  0  0  0  0
 20 21  2  0  0  0  0
  4  7  2  0  0  0  0
 18  8  1  0  0  0  0
 12 15  1  0  0  0  0
 10 21  1  0  0  0  0
M  END
>  <Mol_ID> (5,641)
5641

>  <Formula> (5,641)
C17H11BrN2O

>  <MolWeight> (5,641)
339.18604

>  <COMPOUND_NAME> (5,641)
WAY-320302

>  <BAR_CODE_NO> (5,641)
295303

$$$$
WAY-320334
csChFnd80/06171916332D

 25 27  0  0  0  0  0  0  0  0999 V2000
    8.2042   -8.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1167   -7.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0167   -8.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4292   -7.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8667   -6.9875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.4000   -6.9167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5667   -8.9292    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.6875   -6.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6000   -8.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4042   -9.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3167   -8.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2375   -7.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6792   -5.6875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9667   -6.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7667   -9.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6292  -10.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5500   -7.7542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8042   -8.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0292  -10.2875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5500   -6.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2542   -8.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2542   -6.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9667   -7.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6375   -7.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8542  -11.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  2  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  6  1  0  0  0  0
  9  1  1  0  0  0  0
 10  7  1  0  0  0  0
 11  7  1  0  0  0  0
 12  4  1  0  0  0  0
 13  8  2  0  0  0  0
 14  8  1  0  0  0  0
 15  9  2  0  0  0  0
 16 10  2  0  0  0  0
 17 21  1  0  0  0  0
 18  9  1  0  0  0  0
 19 10  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 14  2  0  0  0  0
 23 14  1  0  0  0  0
 24 18  1  0  0  0  0
 25 19  1  0  0  0  0
  5  4  1  0  0  0  0
 12 11  1  0  0  0  0
 17 20  2  0  0  0  0
M  END
>  <Mol_ID> (5,642)
5642

>  <Formula> (5,642)
C17H16N2O5S

>  <MolWeight> (5,642)
360.38434

>  <COMPOUND_NAME> (5,642)
WAY-320334

>  <BAR_CODE_NO> (5,642)
295335

$$$$
WAY-320335-A
csChFnd80/06171916332D

 21 24  0  0  0  0  0  0  0  0999 V2000
   -0.3919    0.9061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4264    0.2992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4022    2.0923    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6495    0.3130    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4264   -0.8974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4643    0.8923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5564    2.7923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3609    2.7820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6633   -0.9008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3885   -1.4939    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4643   -1.5008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4885    0.2992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1771    3.9130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9919    3.9095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6874   -1.4905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4885   -0.8974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6874   -2.6767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7046   -0.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7081   -3.2732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7288   -1.4905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7322   -2.6732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 11 16  2  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
  9 10  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (5,643)
5643

>  <Formula> (5,643)
C18H17N3

>  <MolWeight> (5,643)
275.34768

>  <COMPOUND_NAME> (5,643)
WAY-320335

>  <BAR_CODE_NO> (5,643)
295336

$$$$
WAY-320342
csChFnd80/06171916332D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -1.5500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5500   -1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5833   -1.7792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6000   -1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333    0.5958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5833    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333   -1.7792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4875    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4875   -1.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5167    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5542    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5875    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6458   -1.7667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5833    1.7833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5875    1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5167    1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5542    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6458    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333   -2.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6292   -0.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6167    2.3833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6542    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6167    3.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  7  1  0  0  0  0
  5  4  1  0  0  0  0
  6  1  2  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  6  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14  5  2  0  0  0  0
 15  7  2  0  0  0  0
 16 18  2  0  0  0  0
 17 11  2  0  0  0  0
 18 17  1  0  0  0  0
 19  4  1  0  0  0  0
 20  8  1  0  0  0  0
 21 13  1  0  0  0  0
 22 16  1  0  0  0  0
 23 21  1  0  0  0  0
 24 22  1  0  0  0  0
  5  3  1  0  0  0  0
 10  8  1  0  0  0  0
 13 16  1  0  0  0  0
M  END
>  <Mol_ID> (5,644)
5644

>  <Formula> (5,644)
C15H15N5O4

>  <MolWeight> (5,644)
329.3107

>  <COMPOUND_NAME> (5,644)
WAY-320342

>  <BAR_CODE_NO> (5,644)
295343

$$$$
WAY-320346
csChFnd80/06171916332D

 36 40  0  0  0  0  0  0  0  0999 V2000
    0.1167    0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2625    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000   -0.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458   -0.0917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792    0.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458    1.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0542   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167    1.3458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542    1.5208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6167    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4000    1.7208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8375   -0.6542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7167    1.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2375    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9792   -0.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8167    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4375    0.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792    1.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5375   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792    0.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7542    0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4542    2.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6375   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833   -1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3375    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167    2.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0375    2.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458   -1.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792   -1.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2542    2.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3375    3.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9167    3.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5375   -1.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  6  1  0  0  0  0
 10 20  1  0  0  0  0
 11  8  1  0  0  0  0
 12  3  1  0  0  0  0
 13  6  2  0  0  0  0
 14  8  2  0  0  0  0
 15  9  1  0  0  0  0
 16  9  1  0  0  0  0
 17 10  1  0  0  0  0
 18 11  1  0  0  0  0
 19 11  2  0  0  0  0
 20 16  1  0  0  0  0
 21 15  1  0  0  0  0
 22 18  2  0  0  0  0
 23 19  1  0  0  0  0
 24 23  2  0  0  0  0
 25 17  1  0  0  0  0
 26 12  2  0  0  0  0
 27 12  1  0  0  0  0
 28 24  1  0  0  0  0
 29 25  2  0  0  0  0
 30 25  1  0  0  0  0
 31 27  2  0  0  0  0
 32 26  1  0  0  0  0
 33 30  2  0  0  0  0
 34 29  1  0  0  0  0
 35 33  1  0  0  0  0
 36 31  1  0  0  0  0
  4  7  2  0  0  0  0
 32 36  2  0  0  0  0
 21 10  1  0  0  0  0
 22 24  1  0  0  0  0
 34 35  2  0  0  0  0
M  END
>  <Mol_ID> (5,645)
5645

>  <Formula> (5,645)
C29H29N5O2

>  <MolWeight> (5,645)
479.57286

>  <COMPOUND_NAME> (5,645)
WAY-320346

>  <BAR_CODE_NO> (5,645)
295347

$$$$
WAY-320370
csChFnd80/06171916332D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -2.1458   -0.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1458   -1.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208   -0.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458   -0.0667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.9208   -1.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8208   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458   -1.4792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8208   -1.3292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2208   -0.7875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5500    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3375    0.2958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0625    0.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1458    1.0333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958    1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9125    1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000   -1.4792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2125    1.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3833    0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3000    1.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7208    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  2  0  0  0  0
  6  1  2  0  0  0  0
  7  2  1  0  0  0  0
  8  2  2  0  0  0  0
  9  6  1  0  0  0  0
 10  4  1  0  0  0  0
 11  3  1  0  0  0  0
 12 11  3  0  0  0  0
 13  6  1  0  0  0  0
 14 10  1  0  0  0  0
 15 10  2  0  0  0  0
 16 14  1  0  0  0  0
 17  5  1  0  0  0  0
 18 15  1  0  0  0  0
 19 13  1  0  0  0  0
 20 13  1  0  0  0  0
 21 13  1  0  0  0  0
  9  8  1  0  0  0  0
  5  7  1  0  0  0  0
 16 18  2  0  0  0  0
M  END
>  <Mol_ID> (5,646)
5646

>  <Formula> (5,646)
C15H16N4OS

>  <MolWeight> (5,646)
300.37874

>  <COMPOUND_NAME> (5,646)
WAY-320370

>  <BAR_CODE_NO> (5,646)
295371

$$$$
WAY-320373
csChFnd80/06171916332D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -2.1708   -0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708   -1.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958   -0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6333   -0.0542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.0958   -1.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7708   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6333   -1.3167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7708   -1.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1333   -0.7167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5500   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0125    0.2708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6333    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9958    0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5500   -1.3167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6333    1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6333    2.4333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6125    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6125    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708    2.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8333    1.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8500    1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4708    1.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  2  0  0  0  0
  6  1  2  0  0  0  0
  7  2  1  0  0  0  0
  8  2  2  0  0  0  0
  9  6  1  0  0  0  0
 10  3  1  0  0  0  0
 11 10  3  0  0  0  0
 12  4  1  0  0  0  0
 13  6  1  0  0  0  0
 14  5  1  0  0  0  0
 15 12  2  0  0  0  0
 16 12  1  0  0  0  0
 17 18  1  0  0  0  0
 18 16  2  0  0  0  0
 19 15  1  0  0  0  0
 20 17  1  0  0  0  0
 21 13  2  0  0  0  0
 22 13  1  0  0  0  0
 23 20  1  0  0  0  0
 24 21  1  0  0  0  0
 25 22  2  0  0  0  0
 26 25  1  0  0  0  0
  9  8  1  0  0  0  0
  5  7  1  0  0  0  0
 19 17  2  0  0  0  0
 26 24  2  0  0  0  0
M  END
>  <Mol_ID> (5,647)
5647

>  <Formula> (5,647)
C20H16N4O2

>  <MolWeight> (5,647)
344.36664

>  <COMPOUND_NAME> (5,647)
WAY-320373

>  <BAR_CODE_NO> (5,647)
295374

$$$$
WAY-320374
csChFnd80/06171916332D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -1.0708    0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0708    0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2875    0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    1.3458    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.3042    0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458    2.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8125   -0.0667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500    0.5625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8125    1.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958    2.5333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667    1.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542    2.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6667    1.7625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8958    3.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333    3.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292   -0.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0708    1.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3625    3.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  5  2  0  0  0  0
  4  2  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8  1  2  0  0  0  0
  9  8  1  0  0  0  0
 10  2  2  0  0  0  0
 11  7  1  0  0  0  0
 12  3  1  0  0  0  0
 13  7  2  0  0  0  0
 14 12  3  0  0  0  0
 15 11  1  0  0  0  0
 16 13  1  0  0  0  0
 17  5  1  0  0  0  0
 18 10  1  0  0  0  0
 19 15  1  0  0  0  0
 10  9  1  0  0  0  0
  4  3  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <Mol_ID> (5,648)
5648

>  <Formula> (5,648)
C13H12N4O2

>  <MolWeight> (5,648)
256.25998

>  <COMPOUND_NAME> (5,648)
WAY-320374

>  <BAR_CODE_NO> (5,648)
295375

$$$$
WAY-320379
csChFnd80/06171916332D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -0.7125   -2.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7125   -2.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542   -2.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333   -1.6792    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.6542   -2.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0958   -2.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333   -3.2667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4125   -3.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0958   -2.9167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333   -0.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3542   -1.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0500   -1.2875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   -0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3542   -3.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458   -0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167    0.8208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8000   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5333   -2.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333    0.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2458   -1.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5208   -0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2708   -0.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  2  0  0  0  0
  6  1  2  0  0  0  0
  7  2  1  0  0  0  0
  8  2  2  0  0  0  0
  9  6  1  0  0  0  0
 10  4  1  0  0  0  0
 11  3  1  0  0  0  0
 12 11  3  0  0  0  0
 13 10  2  0  0  0  0
 14  6  1  0  0  0  0
 15  5  1  0  0  0  0
 16 13  1  0  0  0  0
 17 10  1  0  0  0  0
 18 16  1  0  0  0  0
 19 17  2  0  0  0  0
 20 14  2  0  0  0  0
 21 14  1  0  0  0  0
 22 19  1  0  0  0  0
 23 21  2  0  0  0  0
 24 20  1  0  0  0  0
 25 23  1  0  0  0  0
  9  8  1  0  0  0  0
  5  7  1  0  0  0  0
 25 24  2  0  0  0  0
 22 16  2  0  0  0  0
M  END
>  <Mol_ID> (5,649)
5649

>  <Formula> (5,649)
C19H14N4O2

>  <MolWeight> (5,649)
330.34006

>  <COMPOUND_NAME> (5,649)
WAY-320379

>  <BAR_CODE_NO> (5,649)
295380

$$$$
WAY-320382
csChFnd80/06171916332D

 28 31  0  0  0  0  0  0  0  0999 V2000
    0.5000   -0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7375    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7375   -0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167    0.4458    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.1458   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458   -1.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0167    0.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167    1.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000   -2.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7375    1.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000    1.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167    2.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7375   -2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7625   -0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000    2.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7375    2.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542   -3.1542    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167    3.3208    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000   -2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167   -1.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7375   -2.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167   -3.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7625    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  2  0  0  0  0
  3  1  2  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  7  2  0  0  0  0
 10  8  3  0  0  0  0
 11  6  1  0  0  0  0
 12  4  1  0  0  0  0
 13  9  1  0  0  0  0
 14 11  2  0  0  0  0
 15 11  1  0  0  0  0
 16  3  1  0  0  0  0
 17 20  1  0  0  0  0
 18 26  1  0  0  0  0
 19  7  1  0  0  0  0
 20 15  2  0  0  0  0
 21 14  1  0  0  0  0
 22 18  1  0  0  0  0
 23 17  1  0  0  0  0
 24 13  2  0  0  0  0
 25 13  1  0  0  0  0
 26 25  2  0  0  0  0
 27 24  1  0  0  0  0
 28 19  1  0  0  0  0
  2  6  1  0  0  0  0
 16 28  1  0  0  0  0
 27 18  2  0  0  0  0
 21 17  2  0  0  0  0
M  END
>  <Mol_ID> (5,650)
5650

>  <Formula> (5,650)
C23H18F2N2O

>  <MolWeight> (5,650)
376.3986264

>  <COMPOUND_NAME> (5,650)
WAY-320382

>  <BAR_CODE_NO> (5,650)
295383

$$$$
WAY-320391
csChFnd80/06171916332D

 27 31  0  0  0  0  0  0  0  0999 V2000
    2.2500   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4875   -1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7542    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2167   -1.3792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4875   -0.1042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667   -1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8792   -1.6542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7167   -0.8167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.4500   -0.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7542   -1.6542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5042   -1.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0042   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6542   -0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0375   -0.8167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5375   -1.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0042   -2.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5167    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7792   -2.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667   -0.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2792   -3.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0500   -4.1167    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958   -0.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7375   -1.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2500   -2.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0042   -3.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  5  2  0  0  0  0
  8  2  1  0  0  0  0
  9  6  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 10  2  0  0  0  0
 14 13  1  0  0  0  0
 15 21  1  0  0  0  0
 16  7  1  0  0  0  0
 17  5  1  0  0  0  0
 18 12  1  0  0  0  0
 19  3  2  0  0  0  0
 20 18  1  0  0  0  0
 21 17  1  0  0  0  0
 22 20  2  0  0  0  0
 23 22  1  0  0  0  0
 24 15  1  0  0  0  0
 25 18  2  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
  8  7  1  0  0  0  0
 16 15  1  0  0  0  0
  9  4  1  0  0  0  0
 14 12  2  0  0  0  0
 27 22  1  0  0  0  0
M  END
>  <Mol_ID> (5,651)
5651

>  <Formula> (5,651)
C20H18ClN3O2S

>  <MolWeight> (5,651)
399.89382

>  <COMPOUND_NAME> (5,651)
WAY-320391

>  <BAR_CODE_NO> (5,651)
295392

$$$$
WAY-320552
csChFnd80/06171916332D

 23 27  0  0  0  0  0  0  0  0999 V2000
   -1.2833    0.9958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000   -0.1667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3000    0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4833   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208   -1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8000   -1.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5625   -0.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2625    1.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0458    0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8042   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458   -2.0667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2000   -2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5208    2.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0833    0.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3000   -2.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4500    0.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792   -1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3625    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    2.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5792    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4042   -1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0542   -0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  4  2  0  0  0  0
  8  3  1  0  0  0  0
  9  8  2  0  0  0  0
 10  2  1  0  0  0  0
 11  5  2  0  0  0  0
 12  6  2  0  0  0  0
 13  7  1  0  0  0  0
 14  8  1  0  0  0  0
 15  9  1  0  0  0  0
 16 13  2  0  0  0  0
 17 10  1  0  0  0  0
 18 10  2  0  0  0  0
 19 20  1  0  0  0  0
 20 14  2  0  0  0  0
 21 17  2  0  0  0  0
 22 18  1  0  0  0  0
 23 22  2  0  0  0  0
  7  9  1  0  0  0  0
  5  6  1  0  0  0  0
 15 19  2  0  0  0  0
 16 12  1  0  0  0  0
 23 21  1  0  0  0  0
M  END
>  <Mol_ID> (5,652)
5652

>  <Formula> (5,652)
C20H12N2O

>  <MolWeight> (5,652)
296.32208

>  <COMPOUND_NAME> (5,652)
WAY-320552

>  <BAR_CODE_NO> (5,652)
295553

$$$$
WAY-320559
csChFnd80/06171916332D

 29 33  0  0  0  0  0  0  0  0999 V2000
    3.7375   -2.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1542   -2.3167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4500   -2.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7375   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1542   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4500   -1.0792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0167   -2.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0167   -1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3042   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167   -2.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8667   -2.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4500   -3.5542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8792   -1.0875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3042   -3.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7375   -3.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0167   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042   -1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3000   -0.2542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8542   -3.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5792   -2.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8667   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5875    0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7292   -3.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3000   -3.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3042    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5667   -3.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3000   -2.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3000   -3.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  6  2  0  0  0  0
  6  4  1  0  0  0  0
  7  1  1  0  0  0  0
  8  4  1  0  0  0  0
  9 10  1  0  0  0  0
 10  7  1  0  0  0  0
 11  2  1  0  0  0  0
 12  3  2  0  0  0  0
 13  5  1  0  0  0  0
 14  7  1  0  0  0  0
 15  7  1  0  0  0  0
 16  8  2  0  0  0  0
 17  9  2  0  0  0  0
 18 22  1  0  0  0  0
 19 11  2  0  0  0  0
 20 11  1  0  0  0  0
 21 13  1  0  0  0  0
 22 21  1  0  0  0  0
 23 15  1  0  0  0  0
 24 14  1  0  0  0  0
 25 16  1  0  0  0  0
 26 17  1  0  0  0  0
 27 19  1  0  0  0  0
 28 20  2  0  0  0  0
 29 28  1  0  0  0  0
 24 23  1  0  0  0  0
  8  9  1  0  0  0  0
  2  5  1  0  0  0  0
 25 26  2  0  0  0  0
 27 29  2  0  0  0  0
M  END
>  <Mol_ID> (5,653)
5653

>  <Formula> (5,653)
C24H25N3O2

>  <MolWeight> (5,653)
387.4742

>  <COMPOUND_NAME> (5,653)
WAY-320559

>  <BAR_CODE_NO> (5,653)
295560

$$$$
WAY-320571
csChFnd80/06171916332D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -1.1411   -0.4900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8618   -0.0831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1480   -1.3141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4273   -0.0693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5756   -0.4900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8618    0.7445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4273   -1.7313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8618   -1.7313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2900   -0.4900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5756   -1.3210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2790   -0.0831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5756    1.1480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2900   -1.3210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0003   -0.0831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2859    0.7307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0003   -1.7313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0003    0.7445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7141   -0.4934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7141    1.1549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4244   -0.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4348    0.7445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7141    1.9790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1520    1.1480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4244    2.3928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8624    0.7342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  9 14  1  0  0  0  0
 11 15  2  0  0  0  0
 13 16  2  0  0  0  0
 14 17  1  0  0  0  0
 14 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
  8 10  1  0  0  0  0
  9 13  1  0  0  0  0
 12 15  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (5,654)
5654

>  <Formula> (5,654)
C21H16O4

>  <MolWeight> (5,654)
332.34934

>  <COMPOUND_NAME> (5,654)
WAY-320571

>  <BAR_CODE_NO> (5,654)
295572

$$$$
WAY-320580
csChFnd80/06171916332D

 22 25  0  0  0  0  0  0  0  0999 V2000
   -1.1958   -0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7125   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042   -0.0167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.7792    0.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167   -1.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7125   -1.7667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2000   -0.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7000   -0.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792    1.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7792    2.5208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2292    1.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2208    0.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7792   -0.8792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542    2.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8500   -2.6167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3167    1.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7625    1.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3000    3.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8542    2.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3375    3.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  6  2  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  7  1  0  0  0  0
  7  1  1  0  0  0  0
  8  1  1  0  0  0  0
  9  8  1  0  0  0  0
 10  5  2  0  0  0  0
 11 10  1  0  0  0  0
 12  5  1  0  0  0  0
 13  2  1  0  0  0  0
 14  3  1  0  0  0  0
 15 14  3  0  0  0  0
 16 12  2  0  0  0  0
 17  6  1  0  0  0  0
 18 12  1  0  0  0  0
 19 13  1  0  0  0  0
 20 16  1  0  0  0  0
 21 18  2  0  0  0  0
 22 21  1  0  0  0  0
 13  9  2  0  0  0  0
  4  3  1  0  0  0  0
 11 16  1  0  0  0  0
 22 20  2  0  0  0  0
M  END
>  <Mol_ID> (5,655)
5655

>  <Formula> (5,655)
C16H13N5O

>  <MolWeight> (5,655)
291.30732

>  <COMPOUND_NAME> (5,655)
WAY-320580

>  <BAR_CODE_NO> (5,655)
295581

$$$$
WAY-320582
csChFnd80/06171916332D

 23 26  0  0  0  0  0  0  0  0999 V2000
   -1.1678   -0.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0333    0.1242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1678   -1.3758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3057    0.1242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9023   -0.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0333    1.1311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3057   -1.8862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0333   -1.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5529   -0.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9023   -1.3758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7781    0.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9161    1.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5529   -1.3758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4494    0.1242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7988    1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4494   -1.8862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3115   -0.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4494    1.1518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1770    0.1242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3115    1.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1770    1.1518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0219    1.6759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8908    1.2311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  9 14  1  0  0  0  0
 11 15  2  0  0  0  0
 13 16  2  0  0  0  0
 14 17  2  0  0  0  0
 14 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
  8 10  2  0  0  0  0
  9 13  1  0  0  0  0
 12 15  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (5,656)
5656

>  <Formula> (5,656)
C20H14O3

>  <MolWeight> (5,656)
302.32336

>  <COMPOUND_NAME> (5,656)
WAY-320582

>  <BAR_CODE_NO> (5,656)
295583

$$$$
WAY-320585
csChFnd80/06171916332D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -1.9856   -1.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9856   -2.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5235   -0.6345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2994   -0.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2994   -3.3552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5235   -3.0517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0580    0.7966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3627   -1.8379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6201   -1.1034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2994    1.1897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6201   -2.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2994   -4.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4592    1.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9339   -0.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9339   -3.3552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4730   -0.0138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8868    2.5655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9316    0.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4006    1.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9178    2.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3868    2.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3420    3.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8903    4.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3316    4.6483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  7 13  1  0  0  0  0
  9 14  1  0  0  0  0
 11 15  2  0  0  0  0
 13 16  1  0  0  0  0
 13 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
  6  8  2  0  0  0  0
  9 11  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (5,657)
5657

>  <Formula> (5,657)
C16H17N5O3

>  <MolWeight> (5,657)
327.33788

>  <COMPOUND_NAME> (5,657)
WAY-320585

>  <BAR_CODE_NO> (5,657)
295586

$$$$
WAY-320606
csChFnd80/06171916332D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -0.4478   -1.0028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2626   -0.5822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4478   -1.8270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1616   -0.5822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2626    0.2351    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9764   -1.0028    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2626   -2.2408    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1616   -2.2408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8788   -1.0028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9764    0.6489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9764   -1.8270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8788   -1.8270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5995   -0.5822    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.9764    1.4799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2626    1.8937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6902    1.8937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2626    2.7178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6902    2.7178    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9764    3.1316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
  7 11  2  0  0  0  0
  9 12  2  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (5,658)
5658

>  <Formula> (5,658)
C14H11BrN4

>  <MolWeight> (5,658)
315.16794

>  <COMPOUND_NAME> (5,658)
WAY-320606

>  <BAR_CODE_NO> (5,658)
295607

$$$$
WAY-320618
csChFnd80/06171916332D

 24 26  0  0  0  0  0  0  0  0999 V2000
    0.7667    2.0958    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.1708    2.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1500    2.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1500    3.1708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4042    2.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667    0.4708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667    3.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0875    2.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667    1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4708    3.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6125    2.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292    1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292    2.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667    1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667   -1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1708   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3500    2.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3500    1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667   -1.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4708   -1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1708   -1.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6667    2.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  7  1  0  0  0  0
  5  1  1  0  0  0  0
  6 16  1  0  0  0  0
  7  8  1  0  0  0  0
  8  1  1  0  0  0  0
  9  1  1  0  0  0  0
 10 13  1  0  0  0  0
 11  2  1  0  0  0  0
 12  2  1  0  0  0  0
 13  6  1  0  0  0  0
 14  5  2  0  0  0  0
 15  5  1  0  0  0  0
 16  9  1  0  0  0  0
 17 10  1  0  0  0  0
 18 10  2  0  0  0  0
 19 15  2  0  0  0  0
 20 14  1  0  0  0  0
 21 17  2  0  0  0  0
 22 18  1  0  0  0  0
 23 22  2  0  0  0  0
 24 19  1  0  0  0  0
  4  2  1  0  0  0  0
 20 24  2  0  0  0  0
 23 21  1  0  0  0  0
M  END
>  <Mol_ID> (5,659)
5659

>  <Formula> (5,659)
C22H29NO

>  <MolWeight> (5,659)
323.47176

>  <COMPOUND_NAME> (5,659)
WAY-320618

>  <BAR_CODE_NO> (5,659)
295619

$$$$
WAY-320620
csChFnd80/06171916332D

 19 22  0  0  0  0  0  0  0  0999 V2000
   -0.8000   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    0.4250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6125    0.4333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8083   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958    1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708    1.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042   -1.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042   -2.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6458   -1.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667   -1.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6458   -2.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167    2.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208    2.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958   -3.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667   -3.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7167   -1.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208    3.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000    3.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7167   -2.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8  7  2  0  0  0  0
  9  4  2  0  0  0  0
 10  7  1  0  0  0  0
 11  9  1  0  0  0  0
 12  5  1  0  0  0  0
 13  6  1  0  0  0  0
 14 11  2  0  0  0  0
 15  8  1  0  0  0  0
 16 10  2  0  0  0  0
 17 12  2  0  0  0  0
 18 13  2  0  0  0  0
 19 16  1  0  0  0  0
  5  6  2  0  0  0  0
  8 14  1  0  0  0  0
 17 18  1  0  0  0  0
 15 19  2  0  0  0  0
M  END
>  <Mol_ID> (5,660)
5660

>  <Formula> (5,660)
C17H11NO

>  <MolWeight> (5,660)
245.27534

>  <COMPOUND_NAME> (5,660)
WAY-320620

>  <BAR_CODE_NO> (5,660)
295621

$$$$
WAY-320621
csChFnd80/06171916332D

 33 37  0  0  0  0  0  0  0  0999 V2000
   -1.6458    0.6833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6167    0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000    0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7792    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1375    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4458    1.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6708    2.4333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083    1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6958    1.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4208    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6167    0.0458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4208    1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1375    0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1958    1.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000    0.9458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0833    0.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3625    0.2458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4500    1.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6625    1.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000    0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667    1.3833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9125    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9583    1.9458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458    0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    0.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6708    0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4625    1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0500    1.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1958    0.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3833    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208    1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  0  0  0  0
  5 20  1  0  0  0  0
  6 14  1  0  0  0  0
  7 10  1  0  0  0  0
  8  1  1  0  0  0  0
  9 12  1  0  0  0  0
 10 22  1  0  0  0  0
 11 13  1  0  0  0  0
 12  8  2  0  0  0  0
 13 25  1  0  0  0  0
 14  9  1  0  0  0  0
 15  1  1  0  0  0  0
 16  1  2  0  0  0  0
 17  1  2  0  0  0  0
 18  4  1  0  0  0  0
 19  8  1  0  0  0  0
 20 23  2  0  0  0  0
 21  4  2  0  0  0  0
 22 19  2  0  0  0  0
 23 15  1  0  0  0  0
 24  6  2  0  0  0  0
 25 26  2  0  0  0  0
 26 23  1  0  0  0  0
 27  3  1  0  0  0  0
 28 12  1  0  0  0  0
 29 31  1  0  0  0  0
 30 18  1  0  0  0  0
 31 28  2  0  0  0  0
 32 30  1  0  0  0  0
 33 30  1  0  0  0  0
  9 10  2  0  0  0  0
  5 13  2  0  0  0  0
  6  7  1  0  0  0  0
 29 14  2  0  0  0  0
  3 11  1  0  0  0  0
M  END
>  <Mol_ID> (5,661)
5661

>  <Formula> (5,661)
C24H20N2O6S

>  <MolWeight> (5,661)
464.4904

>  <COMPOUND_NAME> (5,661)
WAY-320621

>  <BAR_CODE_NO> (5,661)
295622

$$$$
WAY-320624
csChFnd80/06171916332D

 26 30  0  0  0  0  0  0  0  0999 V2000
   -2.4208    1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8458    2.3208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6833    2.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1208    3.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8833    2.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208    2.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7208    1.3833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9833    3.3708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3500    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0833    3.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2958    1.4958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6458    3.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4833    1.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208    2.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8458    2.3833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8458    2.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3625    2.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208    4.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6208    4.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3458    2.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0625    4.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6458    1.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2458    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7000    0.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  6  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7  1  2  0  0  0  0
  8  3  1  0  0  0  0
  9  2  1  0  0  0  0
 10  4  1  0  0  0  0
 11  7  1  0  0  0  0
 12  8  1  0  0  0  0
 13  5  1  0  0  0  0
 14  6  2  0  0  0  0
 15  9  1  0  0  0  0
 16 20  1  0  0  0  0
 17 16  2  0  0  0  0
 18 10  1  0  0  0  0
 19 12  1  0  0  0  0
 20 15  1  0  0  0  0
 21 18  1  0  0  0  0
 22 13  2  0  0  0  0
 23 13  1  0  0  0  0
 24 23  2  0  0  0  0
 25 22  1  0  0  0  0
 26 24  1  0  0  0  0
  9 11  2  0  0  0  0
  3  4  2  0  0  0  0
 12 10  2  0  0  0  0
 25 26  2  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <Mol_ID> (5,662)
5662

>  <Formula> (5,662)
C19H16N4OS2

>  <MolWeight> (5,662)
380.48654

>  <COMPOUND_NAME> (5,662)
WAY-320624

>  <BAR_CODE_NO> (5,662)
295625

$$$$
WAY-320625
csChFnd80/06171916332D

 24 27  0  0  0  0  0  0  0  0999 V2000
    0.0746   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0746    0.9351    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8841   -0.7684    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0263   -0.8028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0539    1.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8841    1.5040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8668   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0401   -1.9201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0780    2.6247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0435    0.9006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8668    0.9351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8496    2.6385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8461   -0.7684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1470   -2.4408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9228   -2.4408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0573    3.1937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0263    1.4558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8461    1.5040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8151   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1263   -3.4718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9228   -3.4718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0401    2.5868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8151    0.9351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0401   -3.9925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  2  0  0  0  0
  9 16  1  0  0  0  0
 10 17  2  0  0  0  0
 11 18  1  0  0  0  0
 13 19  2  0  0  0  0
 14 20  2  0  0  0  0
 15 21  1  0  0  0  0
 16 22  2  0  0  0  0
 18 23  2  0  0  0  0
 20 24  1  0  0  0  0
  7 11  2  0  0  0  0
 17 22  1  0  0  0  0
 19 23  1  0  0  0  0
 21 24  2  0  0  0  0
M  END
>  <Mol_ID> (5,663)
5663

>  <Formula> (5,663)
C21H16N2O

>  <MolWeight> (5,663)
312.36454

>  <COMPOUND_NAME> (5,663)
WAY-320625

>  <BAR_CODE_NO> (5,663)
295626

$$$$
WAY-320630
csChFnd80/06171916332D

 34 38  0  0  0  0  0  0  0  0999 V2000
    9.7375   -0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1667   -0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7375   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1667   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4500   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4542   -1.8792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0292   -0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8667   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8792   -1.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0375   -1.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6000   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3167   -1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5875   -0.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3042   -0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4500    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8667    0.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0167    0.5833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1667    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7375    0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4500    3.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4500    2.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1667    3.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1667    1.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7375    1.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8792    3.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4875   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9000   -2.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4167   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0000   -2.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8792    2.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6000    3.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5875    1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3042    3.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3042    2.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  2  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  4  1  0  0  0  0
 10  3  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13  8  1  0  0  0  0
 14  7  1  0  0  0  0
 15  5  1  0  0  0  0
 16  8  2  0  0  0  0
 17  7  2  0  0  0  0
 18 15  2  0  0  0  0
 19 15  1  0  0  0  0
 20 21  1  0  0  0  0
 21 24  1  0  0  0  0
 22 20  1  0  0  0  0
 23 18  1  0  0  0  0
 24 19  2  0  0  0  0
 25 22  1  0  0  0  0
 26 12  1  0  0  0  0
 27 12  1  0  0  0  0
 28 11  1  0  0  0  0
 29 11  1  0  0  0  0
 30 25  2  0  0  0  0
 31 25  1  0  0  0  0
 32 30  1  0  0  0  0
 33 31  2  0  0  0  0
 34 33  1  0  0  0  0
  6  4  1  0  0  0  0
 12 10  1  0  0  0  0
 23 21  2  0  0  0  0
 11  9  1  0  0  0  0
 32 34  2  0  0  0  0
M  END
>  <Mol_ID> (5,664)
5664

>  <Formula> (5,664)
C30H32O4

>  <MolWeight> (5,664)
456.57268

>  <COMPOUND_NAME> (5,664)
WAY-320630

>  <BAR_CODE_NO> (5,664)
295631

$$$$
WAY-320657
csChFnd80/06171916332D

 21 24  0  0  0  0  0  0  0  0999 V2000
    0.9308    0.2343    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8308    0.2964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4688   -0.5554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5515    1.0619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0515    1.2136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5032   -0.3381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4485   -0.5416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2653    1.6964    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3554    1.2239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9308    1.4757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3929   -0.0657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9554   -1.2864    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0312    0.2136    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6136    0.8343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8795   -1.0174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6174   -2.1381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8795   -0.0899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6795   -1.4864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6795    0.3757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5071   -1.0174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5071   -0.0899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  7 13  2  0  0  0  0
 10 14  2  0  0  0  0
 12 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
  5  8  1  0  0  0  0
 11 14  1  0  0  0  0
 15 17  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (5,665)
5665

>  <Formula> (5,665)
C17H16N4

>  <MolWeight> (5,665)
276.33574

>  <COMPOUND_NAME> (5,665)
WAY-320657

>  <BAR_CODE_NO> (5,665)
295658

$$$$
WAY-320674
csChFnd80/06171916332D

 29 33  0  0  0  0  0  0  0  0999 V2000
   -0.5554    0.2899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5485   -0.4274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1623    0.6416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0550    0.6485    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0653   -0.7757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1692   -0.7722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1554    1.3485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7726    0.2899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6757    0.2968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6791   -0.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7830   -0.4136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7692    1.7036    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3864    0.6485    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2929    0.6485    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2929   -0.7722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7692    2.4243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3830    1.3519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3688   -1.4757    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9377   -0.4860    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3726    2.7726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9933    1.7140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0653   -1.6239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8446   -1.9515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4170   -1.0101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9933    2.4243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4170   -2.2274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1170   -1.0032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1170   -2.2274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4688   -1.6136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  2  0  0  0  0
 10 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 17  1  0  0  0  0
 15 18  1  0  0  0  0
 15 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
 18 23  1  0  0  0  0
 19 24  1  0  0  0  0
 20 25  1  0  0  0  0
 22 26  1  0  0  0  0
 24 27  1  0  0  0  0
 26 28  2  0  0  0  0
 27 29  2  0  0  0  0
  8 11  2  0  0  0  0
  9 10  1  0  0  0  0
 21 25  1  0  0  0  0
 22 24  2  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (5,666)
5666

>  <Formula> (5,666)
C23H23N3O3

>  <MolWeight> (5,666)
389.44702

>  <COMPOUND_NAME> (5,666)
WAY-320674

>  <BAR_CODE_NO> (5,666)
295675

$$$$
WAY-320676-A
csChFnd80/06171916332D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -0.7552   -0.8656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6966   -0.4035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7828   -2.4173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0862   -0.1035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5966   -1.6553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862    0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6690   -2.8967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1069   -3.1794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0586    1.4482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4103   -0.8656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1379   -1.6553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2724    0.3033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3759    2.1551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4103   -2.3898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4103    2.2102    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7724   -0.0760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9241   -0.3484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9000   -3.0070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3621    1.3930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3931    3.7413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7172    1.4551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4483   -0.3484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4483   -3.0139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8586    1.0102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7172    4.5309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0517    2.2171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2207   -1.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0241    3.7689    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 11 17  1  0  0  0  0
 11 18  2  0  0  0  0
 12 19  1  0  0  0  0
 15 20  1  0  0  0  0
 15 21  1  0  0  0  0
 17 22  2  0  0  0  0
 18 23  1  0  0  0  0
 19 24  1  0  0  0  0
 20 25  1  0  0  0  0
 21 26  1  0  0  0  0
 22 27  1  0  0  0  0
 25 28  1  0  0  0  0
  5  7  1  0  0  0  0
 10 14  2  0  0  0  0
 23 27  2  0  0  0  0
 26 28  1  0  0  0  0
M  END
>  <Mol_ID> (5,667)
5667

>  <Formula> (5,667)
C22H23NO5

>  <MolWeight> (5,667)
381.42172

>  <COMPOUND_NAME> (5,667)
WAY-320676

>  <BAR_CODE_NO> (5,667)
295677

$$$$
WAY-320678
csChFnd80/06171916332D

 30 34  0  0  0  0  0  0  0  0999 V2000
   -1.8203    1.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1162    1.7507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0797   -1.2493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7798    1.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7798   -0.4993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5202    1.7507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1162    3.2465    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4162    1.0007    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8203   -0.4993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5202   -1.2493    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3756   -0.4993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0797    1.7507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3756    1.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7162    3.2465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7162    1.7507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0797   -2.7493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3756   -3.4993    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5202    3.2465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6756   -1.2493    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6756    1.7507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6756   -2.7493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3756   -4.9993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0162    3.9965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0162    1.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9756    1.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9756   -3.4993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6756   -5.7493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3078    1.7507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3078    3.2465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9756   -4.9993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  4  2  0  0  0  0
  6  1  1  0  0  0  0
  7  2  2  0  0  0  0
  8  2  1  0  0  0  0
  9  1  2  0  0  0  0
 10  9  1  0  0  0  0
 11 13  1  0  0  0  0
 12  4  1  0  0  0  0
 13 12  2  0  0  0  0
 14  7  1  0  0  0  0
 15  8  1  0  0  0  0
 16  3  1  0  0  0  0
 17 16  1  0  0  0  0
 18  6  2  0  0  0  0
 19 11  1  0  0  0  0
 20 13  1  0  0  0  0
 21 17  1  0  0  0  0
 22 17  1  0  0  0  0
 23 14  1  0  0  0  0
 24 15  1  0  0  0  0
 25 20  1  0  0  0  0
 26 21  1  0  0  0  0
 27 22  1  0  0  0  0
 28 24  2  0  0  0  0
 29 23  2  0  0  0  0
 30 27  1  0  0  0  0
  5 10  1  0  0  0  0
 15 14  2  0  0  0  0
 28 29  1  0  0  0  0
 11  3  2  0  0  0  0
 30 26  1  0  0  0  0
M  END
>  <Mol_ID> (5,668)
5668

>  <Formula> (5,668)
C24H24N2O3S

>  <MolWeight> (5,668)
420.52396

>  <COMPOUND_NAME> (5,668)
WAY-320678

>  <BAR_CODE_NO> (5,668)
295679

$$$$
WAY-320679
csChFnd80/06171916332D

 28 32  0  0  0  0  0  0  0  0999 V2000
   -0.9930    0.4102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9723   -0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1516    1.0758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1691    1.0999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1691   -1.6104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1516   -1.5863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1344    2.4309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3171    0.4102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3208    0.4102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3449   -0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3171   -0.8967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2930    3.1033    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4827    1.0999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5070    1.0999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5070   -1.5863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2930    4.4585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4585    2.4309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7449   -1.0553    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6518   -2.9415    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4585    5.1240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6309    3.1033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6415   -2.0380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9760   -3.2035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6240    4.4585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9725   -2.0380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6484   -4.3691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6449   -3.1794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9794   -4.3691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  2  0  0  0  0
 10 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 17  1  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  1  0  0  0  0
 22 25  1  0  0  0  0
 23 26  1  0  0  0  0
 25 27  2  0  0  0  0
 26 28  2  0  0  0  0
  8 11  2  0  0  0  0
  9 10  1  0  0  0  0
 21 24  1  0  0  0  0
 22 23  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (5,669)
5669

>  <Formula> (5,669)
C22H20N2O3S

>  <MolWeight> (5,669)
392.4708

>  <COMPOUND_NAME> (5,669)
WAY-320679

>  <BAR_CODE_NO> (5,669)
295680

$$$$
WAY-320682
csChFnd80/06171916332D

 29 33  0  0  0  0  0  0  0  0999 V2000
    0.1167   -0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7375   -0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167    0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7000    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3875   -0.5542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833    0.5833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958    0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833   -0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8042   -1.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7000    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958    1.6333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1000   -0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8542   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3208    0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    0.5708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7125   -0.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833    2.3458    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.3208   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9333    0.5833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4708    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5542   -1.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8500   -2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7000    2.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4708    2.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292    1.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9042   -1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5542   -2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1375    2.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  7  2  0  0  0  0
  5  2  2  0  0  0  0
  6  3  1  0  0  0  0
  7 12  1  0  0  0  0
  8  1  2  0  0  0  0
  9  2  1  0  0  0  0
 10  4  1  0  0  0  0
 11 10  1  0  0  0  0
 12  8  1  0  0  0  0
 13  5  1  0  0  0  0
 14  9  1  0  0  0  0
 15 19  2  0  0  0  0
 16  3  2  0  0  0  0
 17 12  2  0  0  0  0
 18 11  1  0  0  0  0
 19 17  1  0  0  0  0
 20 15  1  0  0  0  0
 21 11  1  0  0  0  0
 22 13  1  0  0  0  0
 23 14  1  0  0  0  0
 24 18  1  0  0  0  0
 25 18  1  0  0  0  0
 26 21  1  0  0  0  0
 27 22  2  0  0  0  0
 28 23  2  0  0  0  0
 29 26  1  0  0  0  0
  6  7  1  0  0  0  0
 13 14  2  0  0  0  0
 15  4  1  0  0  0  0
 28 27  1  0  0  0  0
 25 29  1  0  0  0  0
M  END
>  <Mol_ID> (5,670)
5670

>  <Formula> (5,670)
C23H23N3O3

>  <MolWeight> (5,670)
389.44702

>  <COMPOUND_NAME> (5,670)
WAY-320682

>  <BAR_CODE_NO> (5,670)
295683

$$$$
WAY-320685
csChFnd80/06171916332D

 27 30  0  0  0  0  0  0  0  0999 V2000
    1.6652   -0.4754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0549   -0.1202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2997   -0.1616    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7652   -1.1754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4376   -0.4754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0549    0.5902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7928   -0.6754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4618   -1.2857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1727   -0.1202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4376    0.9419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6652    0.9419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4997   -0.6581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8376   -1.8961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1762    0.5902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7865   -0.4754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8652   -1.2616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5411   -1.8754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7865    0.9419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4072   -0.1202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4072    0.5902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0244    0.9419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6382    0.5798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2589    0.9315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8727    0.5764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2589    1.6419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4831    0.9315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1072    0.5764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  2  0  0  0  0
 12 16  2  0  0  0  0
 13 17  2  0  0  0  0
 14 18  2  0  0  0  0
 15 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
  7  8  2  0  0  0  0
 10 14  1  0  0  0  0
 16 17  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (5,671)
5671

>  <Formula> (5,671)
C20H15NO6

>  <MolWeight> (5,671)
365.3362

>  <COMPOUND_NAME> (5,671)
WAY-320685

>  <BAR_CODE_NO> (5,671)
295686

$$$$
WAY-320686
csChFnd80/06171916332D

 30 34  0  0  0  0  0  0  0  0999 V2000
    2.8500   -1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5542   -1.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4042   -0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292   -1.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8500   -0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167   -1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3167   -1.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6500   -2.4542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042    0.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167    1.2333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8667   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4542   -2.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042   -1.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292   -2.4542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4042    2.0500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0000   -1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5542    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7125    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292    0.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7000   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8667   -3.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292    2.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8500    1.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1042   -2.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7000   -3.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8500    2.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  8  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  2  0  0  0  0
  6  1  2  0  0  0  0
  7  4  1  0  0  0  0
  8  6  1  0  0  0  0
  9  2  2  0  0  0  0
 10  2  1  0  0  0  0
 11  5  1  0  0  0  0
 12 11  1  0  0  0  0
 13  9  1  0  0  0  0
 14 10  1  0  0  0  0
 15  7  2  0  0  0  0
 16  5  1  0  0  0  0
 17  4  2  0  0  0  0
 18 12  1  0  0  0  0
 19 15  1  0  0  0  0
 20  6  1  0  0  0  0
 21 16  1  0  0  0  0
 22 12  1  0  0  0  0
 23 13  1  0  0  0  0
 24 14  1  0  0  0  0
 25 18  1  0  0  0  0
 26 18  1  0  0  0  0
 27 22  1  0  0  0  0
 28 23  2  0  0  0  0
 29 24  2  0  0  0  0
 30 27  1  0  0  0  0
  7  3  1  0  0  0  0
 14 13  2  0  0  0  0
 19 16  2  0  0  0  0
 28 29  1  0  0  0  0
 30 26  1  0  0  0  0
M  END
>  <Mol_ID> (5,672)
5672

>  <Formula> (5,672)
C24H24N2O3S

>  <MolWeight> (5,672)
420.52396

>  <COMPOUND_NAME> (5,672)
WAY-320686

>  <BAR_CODE_NO> (5,672)
295687

$$$$
WAY-359039
csChFnd80/06171916332D

 25 29  0  0  0  0  0  0  0  0999 V2000
    2.8917   -2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8917   -3.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2792   -2.2417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6125   -2.3917    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.6250   -1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6042   -4.0500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4500   -1.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3292   -2.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3167   -3.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875   -4.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1750   -3.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4417   -4.4375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2250   -0.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1625   -4.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542   -3.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0375   -2.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0375   -4.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7250   -4.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3917   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6417   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7625   -2.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7625   -3.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2375    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9875   -0.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4042    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  2  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8  4  1  0  0  0  0
  9  8  2  0  0  0  0
 10  2  1  0  0  0  0
 11  2  1  0  0  0  0
 12 15  1  0  0  0  0
 13  5  1  0  0  0  0
 14 10  1  0  0  0  0
 15 11  1  0  0  0  0
 16  8  1  0  0  0  0
 17  9  1  0  0  0  0
 18 12  1  0  0  0  0
 19 13  1  0  0  0  0
 20 13  2  0  0  0  0
 21 16  2  0  0  0  0
 22 21  1  0  0  0  0
 23 20  1  0  0  0  0
 24 19  2  0  0  0  0
 25 23  2  0  0  0  0
  7  5  1  0  0  0  0
  9  6  1  0  0  0  0
 14 12  1  0  0  0  0
 17 22  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (5,673)
5673

>  <Formula> (5,673)
C21H23N3O

>  <MolWeight> (5,673)
333.42682

>  <COMPOUND_NAME> (5,673)
WAY-359039

>  <BAR_CODE_NO> (5,673)
90436350

$$$$
WAY-359248
csChFnd80/06171916332D

 23 25  0  0  0  0  0  0  0  0999 V2000
    3.0167   -3.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5042   -2.3292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5042   -3.6750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1667   -2.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2917   -2.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2917   -3.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0125   -2.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4500   -2.1625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1667   -3.4042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8875   -2.1542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.7292   -2.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917   -3.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0125   -3.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8875   -3.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7292   -3.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3042   -4.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8792   -4.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5917   -3.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3042   -3.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5875   -5.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0167   -5.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0167   -5.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7292   -6.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  8  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  5  1  0  0  0  0
  8 11  1  0  0  0  0
  9  4  1  0  0  0  0
 10  4  2  0  0  0  0
 11  7  2  0  0  0  0
 12  1  2  0  0  0  0
 13  6  1  0  0  0  0
 14  9  1  0  0  0  0
 15 13  2  0  0  0  0
 16 19  1  0  0  0  0
 17 14  2  0  0  0  0
 18 14  1  0  0  0  0
 19 18  2  0  0  0  0
 20 17  1  0  0  0  0
 21 16  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
  5  6  2  0  0  0  0
 11 15  1  0  0  0  0
 16 20  2  0  0  0  0
M  END
>  <Mol_ID> (5,674)
5674

>  <Formula> (5,674)
C16H16N4O2S

>  <MolWeight> (5,674)
328.38884

>  <COMPOUND_NAME> (5,674)
WAY-359248

>  <BAR_CODE_NO> (5,674)
90436964

$$$$
WAY-382992
csChFnd80/06171916332D

 19 20  0  0  0  0  0  0  0  0999 V2000
    7.2292   -5.5917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4542   -6.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7167   -5.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7167   -8.1417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5042   -6.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2417   -8.1417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8292   -9.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9167   -6.8542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.0917   -8.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4667   -4.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0375   -6.8667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1042  -10.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6417   -8.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8167   -6.8417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6250  -10.6375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   15.2667   -9.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8167  -11.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -10.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2667  -11.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  6  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7  9  1  0  0  0  0
  8  2  1  0  0  0  0
  9 13  1  0  0  0  0
 10  3  2  0  0  0  0
 11  5  2  0  0  0  0
 12  7  2  0  0  0  0
 13  8  1  0  0  0  0
 14  9  2  0  0  0  0
 15 12  1  0  0  0  0
 16  7  1  0  0  0  0
 17 12  1  0  0  0  0
 18 16  2  0  0  0  0
 19 18  1  0  0  0  0
  4  2  2  0  0  0  0
 19 17  2  0  0  0  0
M  END
>  <Mol_ID> (5,675)
5675

>  <Formula> (5,675)
C11H8ClN3O3S

>  <MolWeight> (5,675)
297.71752

>  <COMPOUND_NAME> (5,675)
WAY-382992

>  <BAR_CODE_NO> (5,675)
90441297

$$$$
WAY-383133
csChFnd80/06171916332D

 20 21  0  0  0  0  0  0  0  0999 V2000
    6.6250   -5.1167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6542   -6.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9875   -5.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9875   -7.4542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9542   -6.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6292   -7.4542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9917   -6.2750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.9917   -7.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6750   -3.9417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6667   -8.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6125   -6.2917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6625   -7.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6542   -6.2750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0042   -9.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9792   -8.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9917  -10.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6542   -9.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6750  -10.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6542  -12.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -12.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  6  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7  2  1  0  0  0  0
  8 12  1  0  0  0  0
  9  3  2  0  0  0  0
 10  8  1  0  0  0  0
 11  5  2  0  0  0  0
 12  7  1  0  0  0  0
 13  8  2  0  0  0  0
 14 10  2  0  0  0  0
 15 10  1  0  0  0  0
 16 17  1  0  0  0  0
 17 15  2  0  0  0  0
 18 14  1  0  0  0  0
 19 16  1  0  0  0  0
 20 19  1  0  0  0  0
  4  2  2  0  0  0  0
 16 18  2  0  0  0  0
M  END
>  <Mol_ID> (5,676)
5676

>  <Formula> (5,676)
C12H11N3O4S

>  <MolWeight> (5,676)
293.29844

>  <COMPOUND_NAME> (5,676)
WAY-383133

>  <BAR_CODE_NO> (5,676)
90441447

$$$$
WAY-601866
csChFnd80/06171916332D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.0042    0.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458   -0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    1.5583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917    1.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042   -1.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542   -1.7875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0583   -0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5042    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3083    0.8958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3083   -1.5167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5042    1.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2167    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2167    1.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9375    0.0708    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.1208   -1.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6083   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6708   -1.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4125   -0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  2  1  0  0  0  0
  6  3  2  0  0  0  0
  7  4  1  0  0  0  0
  8  7  3  0  0  0  0
  9  4  1  0  0  0  0
 10  3  1  0  0  0  0
 11  2  2  0  0  0  0
 12  9  2  0  0  0  0
 13  6  1  0  0  0  0
 14 10  2  0  0  0  0
 15 14  1  0  0  0  0
 16 14  1  0  0  0  0
 17 12  1  0  0  0  0
 18  9  1  0  0  0  0
 19 20  1  0  0  0  0
 20 18  2  0  0  0  0
  5  6  1  0  0  0  0
 13 15  2  0  0  0  0
 19 17  2  0  0  0  0
M  END
>  <Mol_ID> (5,677)
5677

>  <Formula> (5,677)
C15H8BrN3O

>  <MolWeight> (5,677)
326.14752

>  <COMPOUND_NAME> (5,677)
WAY-601866

>  <BAR_CODE_NO> (5,677)
90435340

$$$$
WAY-601909
csChFnd80/06171916332D

 19 20  0  0  0  0  0  0  0  0999 V2000
    0.0829    0.2458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3450    1.0975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1930   -0.5508    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6240    0.6251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8691   -0.0163    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2070    1.2940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2447    1.7527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0171   -0.7094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4967    2.1561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0036    2.6009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2792   -1.5094    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5792   -0.0956    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8933    2.8113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7171   -2.1370    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1967    3.6492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8723   -2.9749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1105   -2.0439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1412   -3.3784    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4622   -2.8163    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  1  5  2  0  0  0  0
  2  6  2  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8 11  1  0  0  0  0
  8 12  2  0  0  0  0
  9 13  2  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 10 13  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (5,678)
5678

>  <Formula> (5,678)
C10H11N5O3S

>  <MolWeight> (5,678)
281.29104

>  <COMPOUND_NAME> (5,678)
WAY-601909

>  <BAR_CODE_NO> (5,678)
90435383

$$$$
WAY-602502
csChFnd80/06171916332D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -0.3125   -0.9417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4750   -0.6875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958   -0.2750    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.4750    0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3125    0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5708   -1.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6208   -0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417    0.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1083   -0.9417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1083    0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0125   -2.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8958   -0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8958    0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8917    0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0542    1.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    1.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7167    1.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5625    0.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1417    2.0833    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708   -1.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  1  0  0  0  0
  9  7  1  0  0  0  0
 10  7  2  0  0  0  0
 11  6  2  0  0  0  0
 12  9  1  0  0  0  0
 13 10  1  0  0  0  0
 14  8  1  0  0  0  0
 15  8  2  0  0  0  0
 16 17  2  0  0  0  0
 17 15  1  0  0  0  0
 18 14  2  0  0  0  0
 19 16  1  0  0  0  0
 20  6  1  0  0  0  0
  5  4  1  0  0  0  0
 12 13  2  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (5,679)
5679

>  <Formula> (5,679)
C15H13ClN2O2

>  <MolWeight> (5,679)
288.72892

>  <COMPOUND_NAME> (5,679)
WAY-602502

>  <BAR_CODE_NO> (5,679)
90436013

$$$$
WAY-601963
csChFnd80/06171916332D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -0.3042    0.1184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6318   -0.9713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8268    0.1184    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9697    1.0046    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2717   -1.6368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7387   -1.3161    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1889   -0.9471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6663    1.9322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9076    0.3563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0663    1.7046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5697   -0.5471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0042   -2.4264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2682   -1.2678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7559    1.8149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1938    2.9598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5441   -2.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0441   -0.4747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4214    2.7011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8559    3.8839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6096   -2.6264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7613   -3.0954    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.1268   -0.7989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9973    3.7356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4406   -1.8885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  2  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  2  0  0  0  0
 13 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 16 21  1  0  0  0  0
 17 22  2  0  0  0  0
 18 23  1  0  0  0  0
 20 24  2  0  0  0  0
  5  7  1  0  0  0  0
 19 23  2  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <Mol_ID> (5,680)
5680

>  <Formula> (5,680)
C17H15ClN2O3S

>  <MolWeight> (5,680)
362.8306

>  <COMPOUND_NAME> (5,680)
WAY-601963

>  <BAR_CODE_NO> (5,680)
90435438

$$$$
WAY-601967
csChFnd80/06171916332D

 24 25  0  0  0  0  0  0  0  0999 V2000
   -1.1500    0.5208    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.4333    0.1083    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.1500    1.3458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792    0.5208    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.4333    1.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9583    0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792    1.3458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917    0.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333    2.5833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7583    1.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1500   -1.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1375    1.1375    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7583    0.1500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7708   -0.4667    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7042    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792   -1.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    0.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7042   -1.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1375   -1.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792   -1.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917   -2.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  5  1  0  0  0  0
  8  2  1  0  0  0  0
  9  4  1  0  0  0  0
 10  5  2  0  0  0  0
 11  1  1  0  0  0  0
 12  8  2  0  0  0  0
 13  6  1  0  0  0  0
 14  6  1  0  0  0  0
 15  6  1  0  0  0  0
 16  9  1  0  0  0  0
 17  9  2  0  0  0  0
 18  8  1  0  0  0  0
 19 20  2  0  0  0  0
 20 17  1  0  0  0  0
 21 16  2  0  0  0  0
 22 19  1  0  0  0  0
 23 18  1  0  0  0  0
 24 23  1  0  0  0  0
  7  4  1  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <Mol_ID> (5,681)
5681

>  <Formula> (5,681)
C14H15F3N2O5

>  <MolWeight> (5,681)
348.2745096

>  <COMPOUND_NAME> (5,681)
WAY-601967

>  <BAR_CODE_NO> (5,681)
90435442

$$$$
WAY-601979
csChFnd80/06171916332D

 23 27  0  0  0  0  0  0  0  0999 V2000
    0.3250   -0.3375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3250   -1.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4625   -1.4167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4625   -0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0375    0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0375    0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542   -0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3250    1.3125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0375   -1.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7708   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542    1.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542   -1.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4667    0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4667    0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3250    2.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1833   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1833   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542    2.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0375    2.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0083   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0083   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4208   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  6  2  0  0  0  0
  9  7  1  0  0  0  0
 10  2  1  0  0  0  0
 11  5  1  0  0  0  0
 12  7  2  0  0  0  0
 13  8  1  0  0  0  0
 14  8  1  0  0  0  0
 15 14  2  0  0  0  0
 16  9  2  0  0  0  0
 17 11  1  0  0  0  0
 18 11  2  0  0  0  0
 19 12  1  0  0  0  0
 20 19  2  0  0  0  0
 21 18  1  0  0  0  0
 22 17  2  0  0  0  0
 23 21  2  0  0  0  0
  3  5  1  0  0  0  0
 13 10  1  0  0  0  0
 12 15  1  0  0  0  0
 16 20  1  0  0  0  0
 23 22  1  0  0  0  0
M  END
>  <Mol_ID> (5,682)
5682

>  <Formula> (5,682)
C20H15N3

>  <MolWeight> (5,682)
297.3532

>  <COMPOUND_NAME> (5,682)
WAY-601979

>  <BAR_CODE_NO> (5,682)
90435454

$$$$
WAY-601986
csChFnd80/06171916332D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -0.0583    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583    1.4208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7250    1.1625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7250    0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375   -1.3167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8583    0.0833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3917    1.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208   -0.8750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8583    1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6375    0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792   -3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6375    1.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208   -2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292   -2.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333   -3.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1417    1.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042    2.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -2.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833   -3.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9750    2.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8125    1.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7250    2.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  5  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9  7  1  0  0  0  0
 10  4  1  0  0  0  0
 11  6  2  0  0  0  0
 12  7  2  0  0  0  0
 13  9  1  0  0  0  0
 14 17  1  0  0  0  0
 15 12  1  0  0  0  0
 16  8  1  0  0  0  0
 17 16  2  0  0  0  0
 18 22  1  0  0  0  0
 19 10  1  0  0  0  0
 20 10  2  0  0  0  0
 21 16  1  0  0  0  0
 22 21  2  0  0  0  0
 23 20  1  0  0  0  0
 24 19  2  0  0  0  0
 25 23  2  0  0  0  0
  3  4  1  0  0  0  0
 13 15  2  0  0  0  0
 18 14  2  0  0  0  0
 25 24  1  0  0  0  0
M  END
>  <Mol_ID> (5,683)
5683

>  <Formula> (5,683)
C19H14N4OS

>  <MolWeight> (5,683)
346.40566

>  <COMPOUND_NAME> (5,683)
WAY-601986

>  <BAR_CODE_NO> (5,683)
90435462

$$$$
WAY-602042
csChFnd80/06171916332D

 31 34  0  0  0  0  0  0  0  0999 V2000
    1.3042   -0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5875    0.4958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5875   -1.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1250   -0.7417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1250    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0875   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0875    0.3333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5667   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458    0.4958    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3417   -1.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5875   -1.9792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5583    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5583    2.5583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458   -1.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2708    1.3208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458    1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5583   -0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7917   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1500   -1.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2708   -1.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8542   -3.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4042   -2.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0417   -3.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1042   -4.1417    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2708    2.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9833    2.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2708    3.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9833    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7000    2.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7000    3.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  7  2  0  0  0  0
 10  6  1  0  0  0  0
 11  7  1  0  0  0  0
 12  4  2  0  0  0  0
 13 17  1  0  0  0  0
 14 13  1  0  0  0  0
 15  5  1  0  0  0  0
 16 13  2  0  0  0  0
 17 10  1  0  0  0  0
 18 15  1  0  0  0  0
 19 11  2  0  0  0  0
 20 11  1  0  0  0  0
 21 18  2  0  0  0  0
 22 23  1  0  0  0  0
 23 20  2  0  0  0  0
 24 19  1  0  0  0  0
 25 22  1  0  0  0  0
 26 14  1  0  0  0  0
 27 26  1  0  0  0  0
 28 26  1  0  0  0  0
 29 28  1  0  0  0  0
 30 27  1  0  0  0  0
 31 29  1  0  0  0  0
  8  9  1  0  0  0  0
  6  3  2  0  0  0  0
 22 24  2  0  0  0  0
 31 30  1  0  0  0  0
M  END
>  <Mol_ID> (5,684)
5684

>  <Formula> (5,684)
C23H24FN3O2S2

>  <MolWeight> (5,684)
457.5839632

>  <COMPOUND_NAME> (5,684)
WAY-602042

>  <BAR_CODE_NO> (5,684)
90435519

$$$$
WAY-602045
csChFnd80/06171916332D

 30 34  0  0  0  0  0  0  0  0999 V2000
   -0.7583    0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583    1.9333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292    1.6833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292    0.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583   -0.7917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0625    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6417   -2.0250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5500    0.6000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8208   -0.3542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7125   -1.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3500   -0.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1583   -2.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5500    1.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2000   -2.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3333    0.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3333    1.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4500    1.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6125    2.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042   -2.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9417   -3.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4917   -4.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167    2.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792    3.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5542   -3.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3042   -3.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0292    3.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  5  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  2  1  0  0  0  0
  9 15  1  0  0  0  0
 10  8  1  0  0  0  0
 11  4  1  0  0  0  0
 12  6  2  0  0  0  0
 13  7  1  0  0  0  0
 14  7  1  0  0  0  0
 15 14  1  0  0  0  0
 16 13  1  0  0  0  0
 17  8  2  0  0  0  0
 18  9  1  0  0  0  0
 19 10  1  0  0  0  0
 20 17  1  0  0  0  0
 21 11  1  0  0  0  0
 22 11  2  0  0  0  0
 23 18  2  0  0  0  0
 24 18  1  0  0  0  0
 25 24  2  0  0  0  0
 26 21  2  0  0  0  0
 27 22  1  0  0  0  0
 28 23  1  0  0  0  0
 29 25  1  0  0  0  0
 30 27  2  0  0  0  0
  3  4  1  0  0  0  0
  9 16  1  0  0  0  0
 19 20  2  0  0  0  0
 30 26  1  0  0  0  0
 29 28  2  0  0  0  0
M  END
>  <Mol_ID> (5,685)
5685

>  <Formula> (5,685)
C24H22N4OS

>  <MolWeight> (5,685)
414.52268

>  <COMPOUND_NAME> (5,685)
WAY-602045

>  <BAR_CODE_NO> (5,685)
90435522

$$$$
WAY-602108
csChFnd80/06171916332D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.5000   -0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7708   -0.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833   -1.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000   -0.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667    0.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958   -0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5875    0.5708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9167    0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792    1.2458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0083    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0083   -1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5375    0.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2458   -0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5375   -1.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8333   -1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8333    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0708   -0.4750    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3750    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5875    1.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3750    1.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8542    0.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  9  1  0  0  0  0
  9  6  1  0  0  0  0
 10  6  2  0  0  0  0
 11  7  1  0  0  0  0
 12  7  2  0  0  0  0
 13  2  1  0  0  0  0
 14 16  2  0  0  0  0
 15  4  1  0  0  0  0
 16 12  1  0  0  0  0
 17 11  2  0  0  0  0
 18 14  1  0  0  0  0
 19  8  1  0  0  0  0
 20  8  1  0  0  0  0
 21 20  1  0  0  0  0
 22 19  1  0  0  0  0
  3  4  1  0  0  0  0
 21 22  1  0  0  0  0
 14 17  1  0  0  0  0
M  END
>  <Mol_ID> (5,686)
5686

>  <Formula> (5,686)
C18H21FN2O

>  <MolWeight> (5,686)
300.3705432

>  <COMPOUND_NAME> (5,686)
WAY-602108

>  <BAR_CODE_NO> (5,686)
90435585

$$$$
WAY-602114
csChFnd80/06171916332D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -0.1833   -0.5167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042   -0.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833   -1.8542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6625   -1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333    0.2708    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.3167   -2.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167   -0.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2458    0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0375   -1.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4958    1.2208    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.0375   -0.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458    1.8333    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.1167    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1375    1.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167   -2.8375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3000    1.3958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1958    2.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6458    3.2333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  2  0  0  0  0
  8  2  2  0  0  0  0
  9  6  1  0  0  0  0
 10 12  2  0  0  0  0
 11  9  1  0  0  0  0
 12  8  1  0  0  0  0
 13 15  1  0  0  0  0
 14  6  1  0  0  0  0
 15 14  1  0  0  0  0
 16  7  1  0  0  0  0
 17 11  1  0  0  0  0
 18 13  1  0  0  0  0
 19 18  1  0  0  0  0
  3  4  1  0  0  0  0
 13 11  1  0  0  0  0
 10  7  1  0  0  0  0
M  END
>  <Mol_ID> (5,687)
5687

>  <Formula> (5,687)
C12H17N5O2

>  <MolWeight> (5,687)
263.29568

>  <COMPOUND_NAME> (5,687)
WAY-602114

>  <BAR_CODE_NO> (5,687)
90435592

$$$$
WAY-602143
csChFnd80/06171916332D

 28 33  0  0  0  0  0  0  0  0999 V2000
   10.6350   -5.9365    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.2170   -4.3915    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1220   -4.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1585   -7.3650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8520   -2.4125    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.6665   -5.4710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8045   -6.9840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3015   -9.2700    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4760   -2.4235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1375   -1.1855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9050   -1.9470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2170   -9.0265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3015   -3.5025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2645   -7.4605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4550   -1.7780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8255   -6.2965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5395    0.0315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6295  -10.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3335   -3.0585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0315    0.2540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9205   -3.1855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2490   -7.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5715    0.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6825   -9.7460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -1.0585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9315   -2.5505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0315    0.8890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4760   -0.5080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  1  1  0  0  0  0
  8  4  1  0  0  0  0
  9  3  2  0  0  0  0
 10  5  1  0  0  0  0
 11 13  2  0  0  0  0
 12  7  2  0  0  0  0
 13  6  1  0  0  0  0
 14  4  2  0  0  0  0
 15  9  1  0  0  0  0
 16  7  1  0  0  0  0
 17 11  1  0  0  0  0
 18 12  1  0  0  0  0
 19 13  1  0  0  0  0
 20 15  2  0  0  0  0
 21 15  1  0  0  0  0
 22 16  2  0  0  0  0
 23 25  1  0  0  0  0
 24 22  1  0  0  0  0
 25 19  2  0  0  0  0
 26 21  2  0  0  0  0
 27 20  1  0  0  0  0
 28 26  1  0  0  0  0
  8 12  1  0  0  0  0
 11  5  1  0  0  0  0
  9 10  1  0  0  0  0
 18 24  2  0  0  0  0
 23 17  2  0  0  0  0
 28 27  2  0  0  0  0
M  END
>  <Mol_ID> (5,688)
5688

>  <Formula> (5,688)
C23H17N3O2

>  <MolWeight> (5,688)
367.39998

>  <COMPOUND_NAME> (5,688)
WAY-602143

>  <BAR_CODE_NO> (5,688)
90435626

$$$$
WAY-602180
csChFnd80/06171916332D

 20 22  0  0  0  0  0  0  0  0999 V2000
    1.5586    1.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7586    1.1023    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0919   -0.0977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1711    2.6398    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5461    0.7148    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.2794   -0.4477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4706    1.4523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0914    2.6398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4794   -0.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0211   -1.3602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0914   -0.0102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2914   -0.2685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7081    1.2023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1794   -0.9477    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6789   -1.4685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1206    0.6398    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.9039   -1.7310    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.2414   -0.9185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6289   -2.0977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8581   -2.3810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  2  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  5  1  0  0  0  0
  8  4  1  0  0  0  0
  9  6  1  0  0  0  0
 10  6  1  0  0  0  0
 11 13  1  0  0  0  0
 12 11  2  0  0  0  0
 13  7  1  0  0  0  0
 14  3  2  0  0  0  0
 15 12  1  0  0  0  0
 16 12  1  0  0  0  0
 17 15  1  0  0  0  0
 18 11  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
  8  7  2  0  0  0  0
  9 10  1  0  0  0  0
 20 15  2  0  0  0  0
M  END
>  <Mol_ID> (5,689)
5689

>  <Formula> (5,689)
C14H12Cl2N2OS

>  <MolWeight> (5,689)
327.22888

>  <COMPOUND_NAME> (5,689)
WAY-602180

>  <BAR_CODE_NO> (5,689)
90435664

$$$$
WAY-602209
csChFnd80/06171916332D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -1.5458   -0.5667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583   -0.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7958    0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0250   -1.2417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583   -1.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2458    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6083    0.3833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0875   -0.3417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6667   -0.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8583    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    1.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3083    1.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0875   -0.5292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292   -0.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7542   -0.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7958   -2.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6625    1.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458    2.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5042   -0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6667    0.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3292    1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1750    0.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0875    0.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  2  0  0  0  0
  6  3  1  0  0  0  0
  7  3  2  0  0  0  0
  8  2  1  0  0  0  0
  9  4  2  0  0  0  0
 10  8  1  0  0  0  0
 11  7  1  0  0  0  0
 12  6  2  0  0  0  0
 13 11  2  0  0  0  0
 14 10  2  0  0  0  0
 15 16  1  0  0  0  0
 16 10  1  0  0  0  0
 17 15  1  0  0  0  0
 18  9  1  0  0  0  0
 19 11  1  0  0  0  0
 20 12  1  0  0  0  0
 21 17  1  0  0  0  0
 22 17  1  0  0  0  0
 23 22  1  0  0  0  0
 24 21  1  0  0  0  0
 25 23  1  0  0  0  0
  5  9  1  0  0  0  0
 13 12  1  0  0  0  0
 25 24  1  0  0  0  0
M  END
>  <Mol_ID> (5,690)
5690

>  <Formula> (5,690)
C18H26N6O

>  <MolWeight> (5,690)
342.43864

>  <COMPOUND_NAME> (5,690)
WAY-602209

>  <BAR_CODE_NO> (5,690)
90435694

$$$$
WAY-602213
csChFnd80/06171916332D

 29 31  0  0  0  0  0  0  0  0999 V2000
   -0.7333    2.0583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500    1.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5583    2.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500    2.7250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292    1.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083    0.6083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9708    2.7750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9708    1.3458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4417   -2.6292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292    2.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3417   -1.4042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7958    1.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7958    2.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7417   -4.0292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2083    2.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7042   -1.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6417   -2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083   -0.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542    0.1708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0875   -2.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1500   -1.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8042   -3.0667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2000    2.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2083    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2083    3.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3542   -3.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1667   -3.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  2  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  3  2  0  0  0  0
  9 18  1  0  0  0  0
 10  9  1  0  0  0  0
 11  4  2  0  0  0  0
 12  6  1  0  0  0  0
 13 20  1  0  0  0  0
 14  8  1  0  0  0  0
 15  7  2  0  0  0  0
 16 10  2  0  0  0  0
 17 14  2  0  0  0  0
 18 23  1  0  0  0  0
 19 22  1  0  0  0  0
 20 12  1  0  0  0  0
 21 12  2  0  0  0  0
 22 13  1  0  0  0  0
 23 13  1  0  0  0  0
 24 10  1  0  0  0  0
 25 11  1  0  0  0  0
 26 14  1  0  0  0  0
 27 15  1  0  0  0  0
 28 24  1  0  0  0  0
 29 28  1  0  0  0  0
 11  5  1  0  0  0  0
 17 15  1  0  0  0  0
  9 19  1  0  0  0  0
M  END
>  <Mol_ID> (5,691)
5691

>  <Formula> (5,691)
C19H27N7O3

>  <MolWeight> (5,691)
401.46278

>  <COMPOUND_NAME> (5,691)
WAY-602213

>  <BAR_CODE_NO> (5,691)
90435698

$$$$
WAY-602217
csChFnd80/06171916332D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -0.6958   -1.8167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167   -1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4083   -2.2292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7375    0.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4500    1.0708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7375   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4500    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833   -2.5292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083   -1.1042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7375    2.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7375   -1.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167    1.0708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958    3.1333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4500   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4500   -1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7375    3.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4083   -3.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1208   -1.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1667    2.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167    3.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1667    3.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958    2.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4500    3.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7375   -2.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8333   -2.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1208   -3.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8333   -3.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  7  1  0  0  0  0
  5  4  1  0  0  0  0
  6  2  1  0  0  0  0
  7  6  2  0  0  0  0
  8  5  1  0  0  0  0
  9  1  2  0  0  0  0
 10  1  2  0  0  0  0
 11  8  2  0  0  0  0
 12  2  2  0  0  0  0
 13  4  2  0  0  0  0
 14 24  1  0  0  0  0
 15 16  2  0  0  0  0
 16 12  1  0  0  0  0
 17 11  1  0  0  0  0
 18  3  1  0  0  0  0
 19  3  1  0  0  0  0
 20  8  1  0  0  0  0
 21 17  1  0  0  0  0
 22 20  2  0  0  0  0
 23 11  1  0  0  0  0
 24 23  2  0  0  0  0
 25 22  1  0  0  0  0
 26 12  1  0  0  0  0
 27 19  1  0  0  0  0
 28 18  1  0  0  0  0
 29 27  1  0  0  0  0
 29 28  1  0  0  0  0
  7 15  1  0  0  0  0
 25 17  2  0  0  0  0
 14 21  2  0  0  0  0
M  END
>  <Mol_ID> (5,692)
5692

>  <Formula> (5,692)
C22H23N3O3S

>  <MolWeight> (5,692)
409.50132

>  <COMPOUND_NAME> (5,692)
WAY-602217

>  <BAR_CODE_NO> (5,692)
90435702

$$$$
WAY-602219
csChFnd80/06171916332D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.9125    0.2708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0875    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4000   -0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4000    0.9375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3917   -0.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1833   -0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3917    0.9375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1833    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1792   -0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8500   -0.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1792    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6042   -0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458   -1.1792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6875    0.5333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8958   -0.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2667   -0.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8958    1.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0250   -0.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6125   -0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6125    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6917   -0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  2  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8  4  1  0  0  0  0
  9  5  1  0  0  0  0
 10  9  1  0  0  0  0
 11  7  1  0  0  0  0
 12 10  1  0  0  0  0
 13  3  2  0  0  0  0
 14 12  2  0  0  0  0
 15  6  1  0  0  0  0
 16 12  1  0  0  0  0
 17  8  1  0  0  0  0
 18 16  1  0  0  0  0
 19 15  2  0  0  0  0
 20 17  2  0  0  0  0
 21 18  1  0  0  0  0
  6  8  2  0  0  0  0
 11  9  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (5,693)
5693

>  <Formula> (5,693)
C14H12N2O3S2

>  <MolWeight> (5,693)
320.38668

>  <COMPOUND_NAME> (5,693)
WAY-602219

>  <BAR_CODE_NO> (5,693)
90435704

$$$$
WAY-602243
csChFnd80/06171916332D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -0.8458   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458   -1.8750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1250   -1.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1250   -0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5583   -0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458    0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5583   -1.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5875    3.0833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5875   -1.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5583    1.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5875    4.7167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042   -1.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5875   -2.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1250    1.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167   -2.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042   -3.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167   -1.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5875    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1250    1.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7292   -3.1125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1250    3.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042    3.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2708   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2708   -1.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042    4.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1250    4.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4417   -2.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9833   -0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9833   -1.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  2  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  5  2  0  0  0  0
  8 18  1  0  0  0  0
  9  3  1  0  0  0  0
 10  6  2  0  0  0  0
 11 25  1  0  0  0  0
 12  9  1  0  0  0  0
 13  9  2  0  0  0  0
 14  6  1  0  0  0  0
 15 16  2  0  0  0  0
 16 13  1  0  0  0  0
 17 12  2  0  0  0  0
 18 19  1  0  0  0  0
 19 14  1  0  0  0  0
 20 15  1  0  0  0  0
 21  8  1  0  0  0  0
 22  8  1  0  0  0  0
 23  5  1  0  0  0  0
 24  7  1  0  0  0  0
 25 22  1  0  0  0  0
 26 21  1  0  0  0  0
 27 20  1  0  0  0  0
 28 23  2  0  0  0  0
 29 28  1  0  0  0  0
  2  3  2  0  0  0  0
 29 24  2  0  0  0  0
 17 15  1  0  0  0  0
 11 26  1  0  0  0  0
M  END
>  <Mol_ID> (5,694)
5694

>  <Formula> (5,694)
C23H24N2O4

>  <MolWeight> (5,694)
392.44766

>  <COMPOUND_NAME> (5,694)
WAY-602243

>  <BAR_CODE_NO> (5,694)
90435728

$$$$
WAY-602308
csChFnd80/06171916332D

 20 23  0  0  0  0  0  0  0  0999 V2000
    0.0417    0.5833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7375    0.3333    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.5292   -0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7375   -0.4917    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0417   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3000    1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042    1.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4583    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8917    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7167    2.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4583   -0.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708   -0.4917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3500   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792   -1.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500    1.9833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708    0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6875   -0.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042   -1.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8833   -0.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5375   -2.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  2  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  2  1  0  0  0  0
  9  7  1  0  0  0  0
 10  7  1  0  0  0  0
 11  4  1  0  0  0  0
 12 16  1  0  0  0  0
 13  3  1  0  0  0  0
 14  5  1  0  0  0  0
 15  6  2  0  0  0  0
 16  8  1  0  0  0  0
 17 13  2  0  0  0  0
 18 17  1  0  0  0  0
 19 12  1  0  0  0  0
 20 18  1  0  0  0  0
  5  4  1  0  0  0  0
 10  9  1  0  0  0  0
 18 14  2  0  0  0  0
 12 11  1  0  0  0  0
M  END
>  <Mol_ID> (5,695)
5695

>  <Formula> (5,695)
C17H22N2O

>  <MolWeight> (5,695)
270.36938

>  <COMPOUND_NAME> (5,695)
WAY-602308

>  <BAR_CODE_NO> (5,695)
90435796

$$$$
WAY-602386
csChFnd80/06171916332D

 22 25  0  0  0  0  0  0  0  0999 V2000
   -0.1458    0.4250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9333    0.1708    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.3375   -0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9333   -0.6542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.1458   -0.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042    1.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167    1.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6458    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6458   -1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3625   -0.6542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1875   -1.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2500    2.1333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458    1.8208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5292    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667    2.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3625    0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2417    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4917   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0750   -1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3417   -2.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  2  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  2  1  0  0  0  0
  9  4  1  0  0  0  0
 10 17  1  0  0  0  0
 11  3  1  0  0  0  0
 12  5  1  0  0  0  0
 13  7  1  0  0  0  0
 14  6  2  0  0  0  0
 15  7  2  0  0  0  0
 16 13  1  0  0  0  0
 17  8  1  0  0  0  0
 18 15  1  0  0  0  0
 19 11  2  0  0  0  0
 20 19  1  0  0  0  0
 21 10  1  0  0  0  0
 22 20  1  0  0  0  0
  5  4  1  0  0  0  0
 16 18  2  0  0  0  0
 20 12  2  0  0  0  0
 10  9  1  0  0  0  0
M  END
>  <Mol_ID> (5,696)
5696

>  <Formula> (5,696)
C18H20N2O2

>  <MolWeight> (5,696)
296.3636

>  <COMPOUND_NAME> (5,696)
WAY-602386

>  <BAR_CODE_NO> (5,696)
90435877

$$$$
WAY-602402
csChFnd80/06171916332D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -0.7500    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3417   -1.7167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0875   -2.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4708    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2625   -2.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6750   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500    2.2208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0375    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042   -1.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7375    2.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6750   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4708    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0375    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5750   -3.1750    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.2500    3.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4708    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -3.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6542   -3.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0375    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0375    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9875   -4.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167   -3.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  2  0  0  0  0
  5  1  1  0  0  0  0
  6 10  1  0  0  0  0
  7 12  1  0  0  0  0
  8  4  1  0  0  0  0
  9 14  1  0  0  0  0
 10  7  2  0  0  0  0
 11  8  1  0  0  0  0
 12  9  2  0  0  0  0
 13  4  1  0  0  0  0
 14  5  1  0  0  0  0
 15  3  1  0  0  0  0
 16 13  1  0  0  0  0
 17  5  2  0  0  0  0
 18 15  1  0  0  0  0
 19 18  2  0  0  0  0
 20  1  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 24  1  0  0  0  0
 24 15  1  0  0  0  0
 22 13  2  0  0  0  0
 11 16  2  0  0  0  0
  3  6  2  0  0  0  0
 19 23  1  0  0  0  0
M  END
>  <Mol_ID> (5,697)
5697

>  <Formula> (5,697)
C19H17N3OS

>  <MolWeight> (5,697)
335.42278

>  <COMPOUND_NAME> (5,697)
WAY-602402

>  <BAR_CODE_NO> (5,697)
90435894

$$$$
WAY-602425
csChFnd80/06171916332D

 30 34  0  0  0  0  0  0  0  0999 V2000
    1.5667   -0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542   -0.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292   -0.8417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542    0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292    0.5875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833   -0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3750   -0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6333   -1.5042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4125   -0.4292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4125   -1.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7042   -1.4542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4625   -1.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1458   -0.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6333   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083   -0.1250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5667    1.3083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1333   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1333   -1.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9875    0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208   -0.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833    1.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8458   -0.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8458   -1.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833    2.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8167    1.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7667    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3875    0.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4292    1.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2125    1.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  1  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10  8  2  0  0  0  0
 11  2  1  0  0  0  0
 12  7  2  0  0  0  0
 13 20  1  0  0  0  0
 14 13  2  0  0  0  0
 15  6  1  0  0  0  0
 16  4  2  0  0  0  0
 17  9  1  0  0  0  0
 18 10  1  0  0  0  0
 19  7  1  0  0  0  0
 20 15  1  0  0  0  0
 21  5  1  0  0  0  0
 22 17  2  0  0  0  0
 23 18  2  0  0  0  0
 24 21  1  0  0  0  0
 25 24  2  0  0  0  0
 26 19  2  0  0  0  0
 27 19  1  0  0  0  0
 28 27  2  0  0  0  0
 29 26  1  0  0  0  0
 30 28  1  0  0  0  0
 12 11  1  0  0  0  0
  3  6  2  0  0  0  0
 30 29  2  0  0  0  0
 10  9  1  0  0  0  0
 23 22  1  0  0  0  0
M  END
>  <Mol_ID> (5,698)
5698

>  <Formula> (5,698)
C23H18N4OS2

>  <MolWeight> (5,698)
430.54522

>  <COMPOUND_NAME> (5,698)
WAY-602425

>  <BAR_CODE_NO> (5,698)
90435931

$$$$
WAY-602426
csChFnd80/06171916332D

 31 36  0  0  0  0  0  0  0  0999 V2000
   -2.5250   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0375    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208    0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1875   -0.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708   -1.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833   -0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5250    1.1708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3083    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3083    0.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4917    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708   -0.4375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6417    0.8333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6708   -1.5917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5042    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6542   -0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9667    1.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9542    1.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7667   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2667    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333   -1.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5542   -0.6542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2542    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0500    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7917    0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3917    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5208   -2.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833   -3.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0958   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0958    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  2  1  0  0  0  0
  8  1  1  0  0  0  0
  9  8  2  0  0  0  0
 10 12  1  0  0  0  0
 11  6  1  0  0  0  0
 12 14  1  0  0  0  0
 13  4  2  0  0  0  0
 14 26  1  0  0  0  0
 15 20  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  1  0  0  0  0
 18 10  1  0  0  0  0
 19 10  1  0  0  0  0
 20 10  1  0  0  0  0
 21  5  1  0  0  0  0
 22 14  2  0  0  0  0
 23 16  1  0  0  0  0
 24 15  1  0  0  0  0
 25 15  1  0  0  0  0
 26 11  1  0  0  0  0
 27 21  1  0  0  0  0
 28 27  2  0  0  0  0
 29  8  1  0  0  0  0
 30  9  1  0  0  0  0
 31 29  1  0  0  0  0
  9  7  1  0  0  0  0
 31 30  1  0  0  0  0
  3  6  2  0  0  0  0
 25 17  1  0  0  0  0
 24 16  1  0  0  0  0
 23 17  1  0  0  0  0
M  END
>  <Mol_ID> (5,699)
5699

>  <Formula> (5,699)
C24H29N3O2S2

>  <MolWeight> (5,699)
455.63596

>  <COMPOUND_NAME> (5,699)
WAY-602426

>  <BAR_CODE_NO> (5,699)
90435932

$$$$
WAY-602435-A
csChFnd80/06171916332D

 28 30  0  0  0  0  0  0  0  0999 V2000
   -0.7583   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375    0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292    0.9250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   -0.3792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083   -0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542   -0.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8750   -0.1917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3792    0.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0625    0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583   -1.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5375    0.7708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4750    1.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4750   -0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5417   -0.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9542    0.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125    0.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2917   -0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8208   -1.1042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3000   -0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3000    1.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7125    0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1292    0.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0708   -1.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5375    0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8750   -2.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  2  0  0  0  0
  7  1  1  0  0  0  0
  8  5  1  0  0  0  0
  9 12  1  0  0  0  0
 10 19  1  0  0  0  0
 11  3  1  0  0  0  0
 12  8  1  0  0  0  0
 13  7  2  0  0  0  0
 14  8  2  0  0  0  0
 15 11  1  0  0  0  0
 16 11  2  0  0  0  0
 17  9  1  0  0  0  0
 18  9  1  0  0  0  0
 19 18  1  0  0  0  0
 20 17  1  0  0  0  0
 21  7  1  0  0  0  0
 22 16  1  0  0  0  0
 23 15  2  0  0  0  0
 24 22  2  0  0  0  0
 25 10  1  0  0  0  0
 26 21  1  0  0  0  0
 27 24  1  0  0  0  0
 28 26  1  0  0  0  0
  6  4  1  0  0  0  0
 24 23  1  0  0  0  0
 10 20  1  0  0  0  0
M  END
>  <Mol_ID> (5,700)
5700

>  <Formula> (5,700)
C21H27N3O3S

>  <MolWeight> (5,700)
401.52238

>  <COMPOUND_NAME> (5,700)
WAY-602435

>  <BAR_CODE_NO> (5,700)
90435942

$$$$
WAY-602455
csChFnd80/06171916332D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -1.1333   -2.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9500    1.5958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292    1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667    2.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6917    0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8750   -1.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3875   -3.2792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208   -2.2417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3458   -2.7542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9500    2.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292    2.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4042    1.3708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583    2.2708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708   -1.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333   -1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1125    0.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708   -0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1750   -0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1875   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  5 16  1  0  0  0  0
  6  1  1  0  0  0  0
  7  1  2  0  0  0  0
  8  1  2  0  0  0  0
  9  1  1  0  0  0  0
 10  4  1  0  0  0  0
 11  3  1  0  0  0  0
 12  3  2  0  0  0  0
 13  4  2  0  0  0  0
 14  6  1  0  0  0  0
 15  6  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 15  1  0  0  0  0
 19 14  2  0  0  0  0
 17 19  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <Mol_ID> (5,701)
5701

>  <Formula> (5,701)
C12H14N2O4S

>  <MolWeight> (5,701)
282.31556

>  <COMPOUND_NAME> (5,701)
WAY-602455

>  <BAR_CODE_NO> (5,701)
90435964

$$$$
WAY-602708
csChFnd80/06171916332D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -1.2250   -0.0625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7083    0.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7125    0.0083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5417    0.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833   -0.6750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5167   -0.2292    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0625    0.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6750    0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5917   -1.2417    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2667   -0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8500    0.4958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083   -0.6292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9375    1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417   -1.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0625    0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0292    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0875    1.4708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -0.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3917    1.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3833    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8833   -1.8917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5875   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5250   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    1.5458    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.7417   -2.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0708   -2.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1375   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042    1.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1792    0.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  8  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8  7  2  0  0  0  0
  9 10  1  0  0  0  0
 10  3  1  0  0  0  0
 11  1  2  0  0  0  0
 12  1  2  0  0  0  0
 13  2  2  0  0  0  0
 14  6  1  0  0  0  0
 15 16  1  0  0  0  0
 16  6  1  0  0  0  0
 17  4  2  0  0  0  0
 18  9  1  0  0  0  0
 19 20  2  0  0  0  0
 20 13  1  0  0  0  0
 21 26  1  0  0  0  0
 22  5  1  0  0  0  0
 23  5  1  0  0  0  0
 24 13  1  0  0  0  0
 25  9  1  0  0  0  0
 26 23  1  0  0  0  0
 27 22  1  0  0  0  0
 28 15  1  0  0  0  0
 29 15  1  0  0  0  0
 21 27  1  0  0  0  0
 19  8  1  0  0  0  0
 14  9  1  0  0  0  0
 18 15  1  0  0  0  0
M  END
>  <Mol_ID> (5,702)
5702

>  <Formula> (5,702)
C21H29FN2O4S

>  <MolWeight> (5,702)
424.5293632

>  <COMPOUND_NAME> (5,702)
WAY-602708

>  <BAR_CODE_NO> (5,702)
90436222

$$$$
WAY-602733
csChFnd80/06171916332D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.5542    0.3333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1625   -0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542    1.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8750    0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8750    1.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1625    1.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667   -0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667   -0.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1625   -0.9042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9375   -1.3875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667    1.5708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6000   -1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6792   -2.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542   -2.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958   -0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958    1.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3083    0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3083    1.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  6  1  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9  2  2  0  0  0  0
 10  8  1  0  0  0  0
 11  3  2  0  0  0  0
 12  8  2  0  0  0  0
 13 10  1  0  0  0  0
 14 12  1  0  0  0  0
 15  4  1  0  0  0  0
 16  5  1  0  0  0  0
 17 15  2  0  0  0  0
 18 16  2  0  0  0  0
  4  5  2  0  0  0  0
 13 14  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (5,703)
5703

>  <Formula> (5,703)
C14H11NO3

>  <MolWeight> (5,703)
241.24204

>  <COMPOUND_NAME> (5,703)
WAY-602733

>  <BAR_CODE_NO> (5,703)
90436248

$$$$
WAY-602746
csChFnd80/06171916332D

 25 28  0  0  0  0  0  0  0  0999 V2000
    0.0292   -0.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9583    0.5708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667   -1.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458    0.9833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417   -1.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7875   -0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5417   -1.4500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5417   -0.6250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542   -1.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1583    1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3375   -0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -2.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917    2.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    2.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833   -1.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1458   -0.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7000   -1.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792    2.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7375    3.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6375   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458   -2.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167    3.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  6  2  0  0  0  0
  3  5  2  0  0  0  0
  4  7  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  1  2  0  0  0  0
  8 11  2  0  0  0  0
  9  3  1  0  0  0  0
 10  9  1  0  0  0  0
 11  3  1  0  0  0  0
 12  4  1  0  0  0  0
 13  6  1  0  0  0  0
 14  9  2  0  0  0  0
 15 11  1  0  0  0  0
 16 12  1  0  0  0  0
 17 12  2  0  0  0  0
 18 13  2  0  0  0  0
 19 13  1  0  0  0  0
 20 19  2  0  0  0  0
 21 16  2  0  0  0  0
 22 17  1  0  0  0  0
 23 18  1  0  0  0  0
 24 20  1  0  0  0  0
 25 22  2  0  0  0  0
  2  4  1  0  0  0  0
 10  8  1  0  0  0  0
 24 23  2  0  0  0  0
 25 21  1  0  0  0  0
M  END
>  <Mol_ID> (5,704)
5704

>  <Formula> (5,704)
C20H16N4O

>  <MolWeight> (5,704)
328.36724

>  <COMPOUND_NAME> (5,704)
WAY-602746

>  <BAR_CODE_NO> (5,704)
90436261

$$$$
WAY-602759
csChFnd80/06171916332D

 35 39  0  0  0  0  0  0  0  0999 V2000
    2.3667   -0.3042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3667    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1375    0.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1000    0.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5792   -0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5792    0.7708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9583    0.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1333    1.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2750    0.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208    2.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917    1.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0375    1.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917    4.9167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0375   -0.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5125    0.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042    4.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292   -1.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6208   -0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2583   -0.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3208    0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8708   -0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8083   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1708   -1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4250    3.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333    2.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9500   -1.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7917   -0.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9125   -2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9750   -1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5333   -1.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6167   -2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4542   -0.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4625   -2.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2708   -2.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3667   -1.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  9  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  7  2  0  0  0  0
  9  4  2  0  0  0  0
 10 11  1  0  0  0  0
 11  3  2  0  0  0  0
 12  2  2  0  0  0  0
 13 16  3  0  0  0  0
 14  1  1  0  0  0  0
 15  7  1  0  0  0  0
 16 24  1  0  0  0  0
 17  5  2  0  0  0  0
 18 21  1  0  0  0  0
 19 15  2  0  0  0  0
 20 15  1  0  0  0  0
 21 20  2  0  0  0  0
 22 19  1  0  0  0  0
 23 18  1  0  0  0  0
 24 25  1  0  0  0  0
 25 10  1  0  0  0  0
 26 14  1  0  0  0  0
 27 14  2  0  0  0  0
 28 23  2  0  0  0  0
 29 23  1  0  0  0  0
 30 29  2  0  0  0  0
 31 26  2  0  0  0  0
 32 27  1  0  0  0  0
 33 28  1  0  0  0  0
 34 30  1  0  0  0  0
 35 32  2  0  0  0  0
  4  6  1  0  0  0  0
 35 31  1  0  0  0  0
  8 10  1  0  0  0  0
 18 22  2  0  0  0  0
 34 33  2  0  0  0  0
M  END
>  <Mol_ID> (5,705)
5705

>  <Formula> (5,705)
C28H21N5OS

>  <MolWeight> (5,705)
475.56424

>  <COMPOUND_NAME> (5,705)
WAY-602759

>  <BAR_CODE_NO> (5,705)
90436275

$$$$
WAY-602789
csChFnd80/06171916332D

 29 32  0  0  0  0  0  0  0  0999 V2000
    1.6000   -0.7542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083    0.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292   -0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167   -1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167    0.3250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083    1.2625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958   -0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833    1.6750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5708    1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667    0.5583    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1708    4.4667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667   -1.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2583    3.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542   -1.7917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2833   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3458    2.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1000    2.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1792   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0167   -0.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0250   -0.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0875    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6375   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8500   -2.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6875   -1.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5750   -1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3833   -1.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6000   -2.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  9  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  8  2  0  0  0  0
  8  3  1  0  0  0  0
  9  4  2  0  0  0  0
 10 11  1  0  0  0  0
 11  3  2  0  0  0  0
 12  2  2  0  0  0  0
 13 15  3  0  0  0  0
 14  1  1  0  0  0  0
 15 18  1  0  0  0  0
 16  5  2  0  0  0  0
 17  8  1  0  0  0  0
 18 19  1  0  0  0  0
 19 10  1  0  0  0  0
 20 14  1  0  0  0  0
 21 14  2  0  0  0  0
 22 17  2  0  0  0  0
 23 17  1  0  0  0  0
 24 23  2  0  0  0  0
 25 20  2  0  0  0  0
 26 21  1  0  0  0  0
 27 22  1  0  0  0  0
 28 24  1  0  0  0  0
 29 26  2  0  0  0  0
  4  6  1  0  0  0  0
 29 25  1  0  0  0  0
  7 10  1  0  0  0  0
 28 27  2  0  0  0  0
M  END
>  <Mol_ID> (5,706)
5706

>  <Formula> (5,706)
C22H17N5OS

>  <MolWeight> (5,706)
399.46828

>  <COMPOUND_NAME> (5,706)
WAY-602789

>  <BAR_CODE_NO> (5,706)
90436305

$$$$
WAY-602790
csChFnd80/06171916332D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -1.5500    1.2708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8375    1.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792   -0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5583    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3833    0.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2250    1.1333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1625   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9417   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458   -0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9417    0.0750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1625    0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    2.5083    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.7042    1.1958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3083    1.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0375    0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042   -1.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9333   -0.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000   -1.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3667    0.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3917   -3.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6167    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042   -3.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1583   -2.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1417   -4.1417    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3958    2.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9750    1.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7250    1.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1458    2.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8125    2.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  9  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  7  2  0  0  0  0
  9  4  2  0  0  0  0
 10 11  1  0  0  0  0
 11  3  2  0  0  0  0
 12  2  2  0  0  0  0
 13 15  3  0  0  0  0
 14  1  1  0  0  0  0
 15 20  1  0  0  0  0
 16  7  1  0  0  0  0
 17  5  2  0  0  0  0
 18 16  1  0  0  0  0
 19 16  2  0  0  0  0
 20 22  1  0  0  0  0
 21 24  2  0  0  0  0
 22 10  1  0  0  0  0
 23 18  2  0  0  0  0
 24 19  1  0  0  0  0
 25 21  1  0  0  0  0
 26 14  1  0  0  0  0
 27 14  2  0  0  0  0
 28 27  1  0  0  0  0
 29 26  2  0  0  0  0
 30 28  2  0  0  0  0
  6  4  1  0  0  0  0
 30 29  1  0  0  0  0
 10  8  1  0  0  0  0
 23 21  1  0  0  0  0
M  END
>  <Mol_ID> (5,707)
5707

>  <Formula> (5,707)
C22H16FN5OS

>  <MolWeight> (5,707)
417.4587432

>  <COMPOUND_NAME> (5,707)
WAY-602790

>  <BAR_CODE_NO> (5,707)
90436306

$$$$
WAY-602791
csChFnd80/06171916332D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -1.8958    0.0333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5583    0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5625   -0.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6417   -0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2833   -0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7333    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292    0.4583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9000   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917   -0.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6417    1.1208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4125   -1.6667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6792   -1.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9708    1.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.2167    3.6458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9000   -2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6958   -0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6792   -2.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9542    2.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3625   -1.3417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7042    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9000    1.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6417   -3.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2500    0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9583   -0.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7583   -1.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0583    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3125   -0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3 10  1  0  0  0  0
  4  6  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  5  2  0  0  0  0
  9  5  1  0  0  0  0
 10  4  2  0  0  0  0
 11 12  1  0  0  0  0
 12  3  2  0  0  0  0
 13  9  1  0  0  0  0
 14  9  2  0  0  0  0
 15  2  2  0  0  0  0
 16 20  3  0  0  0  0
 17 13  1  0  0  0  0
 18  1  1  0  0  0  0
 19 14  1  0  0  0  0
 20 22  1  0  0  0  0
 21  6  2  0  0  0  0
 22 23  1  0  0  0  0
 23 11  1  0  0  0  0
 24 17  1  0  0  0  0
 25 18  1  0  0  0  0
 26 18  2  0  0  0  0
 27 26  1  0  0  0  0
 28 25  2  0  0  0  0
 29 27  2  0  0  0  0
  7  4  1  0  0  0  0
 29 28  1  0  0  0  0
 11  8  1  0  0  0  0
 19 17  2  0  0  0  0
M  END
>  <Mol_ID> (5,708)
5708

>  <Formula> (5,708)
C21H17N5O2S

>  <MolWeight> (5,708)
403.45698

>  <COMPOUND_NAME> (5,708)
WAY-602791

>  <BAR_CODE_NO> (5,708)
90436307

$$$$
WAY-602818
csChFnd80/06171916332D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.3542    1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667    1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667    0.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.3583   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0750   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7875   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0750    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7875    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0750   -2.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5083   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  4  2  0  0  0  0
  8  7  1  0  0  0  0
  9  5  1  0  0  0  0
 10 13  1  0  0  0  0
 11  4  1  0  0  0  0
 12  5  2  0  0  0  0
 13 11  2  0  0  0  0
 14  8  1  0  0  0  0
 15 10  1  0  0  0  0
 16  6  1  0  0  0  0
  9  6  1  0  0  0  0
 10  8  2  0  0  0  0
M  END
>  <Mol_ID> (5,709)
5709

>  <Formula> (5,709)
C11H14N4O

>  <MolWeight> (5,709)
218.25506

>  <COMPOUND_NAME> (5,709)
WAY-602818

>  <BAR_CODE_NO> (5,709)
90436337

$$$$
WAY-602820
csChFnd80/06171916332D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -0.4083   -1.6875    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.4083   -0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0167    1.6125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0167    0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292    2.0250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042   -0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042    0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417    1.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292    0.3750    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.1250   -0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1250   -2.1000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.3042   -2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417    0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4083    0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1625    2.0250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1250    0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458   -0.8625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9833   -0.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292   -0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5583   -0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2708   -0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  2  0  0  0  0
  4  7  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  6  2  0  0  0  0
  8 13  1  0  0  0  0
  9  4  1  0  0  0  0
 10  2  2  0  0  0  0
 11  1  1  0  0  0  0
 12  1  2  0  0  0  0
 13  9  1  0  0  0  0
 14 16  2  0  0  0  0
 15  8  2  0  0  0  0
 16 10  1  0  0  0  0
 17 10  1  0  0  0  0
 18 21  1  0  0  0  0
 19  9  1  0  0  0  0
 20 17  1  0  0  0  0
 21 20  1  0  0  0  0
 14  7  1  0  0  0  0
  5  8  1  0  0  0  0
M  END
>  <Mol_ID> (5,710)
5710

>  <Formula> (5,710)
C13H16N4O4

>  <MolWeight> (5,710)
292.29054

>  <COMPOUND_NAME> (5,710)
WAY-602820

>  <BAR_CODE_NO> (5,710)
90436340

$$$$
WAY-602821
csChFnd80/06171916332D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.2500   -0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500   -1.4667    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.1792    1.8333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1792    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4625   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8917    2.2458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4625    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6833   -0.6417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6042    1.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8917    0.5958    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.9708    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708   -1.8792    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.4625   -1.8792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6042    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3167    2.2458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6833   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3958   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8917   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1083   -0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3958   -1.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1083   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  5  2  0  0  0  0
  4  1  2  0  0  0  0
  5  8  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  6  2  0  0  0  0
  9  4  1  0  0  0  0
 10 15  1  0  0  0  0
 11  5  1  0  0  0  0
 12  4  1  0  0  0  0
 13  2  1  0  0  0  0
 14  2  2  0  0  0  0
 15 11  1  0  0  0  0
 16  8  1  0  0  0  0
 17 10  2  0  0  0  0
 18  9  1  0  0  0  0
 19  9  1  0  0  0  0
 20 11  1  0  0  0  0
 21 19  1  0  0  0  0
 22 18  1  0  0  0  0
 23 21  1  0  0  0  0
 12 16  2  0  0  0  0
 23 22  1  0  0  0  0
  7 10  1  0  0  0  0
M  END
>  <Mol_ID> (5,711)
5711

>  <Formula> (5,711)
C16H20N4O3

>  <MolWeight> (5,711)
316.355

>  <COMPOUND_NAME> (5,711)
WAY-602821

>  <BAR_CODE_NO> (5,711)
90436341

$$$$
WAY-602825
csChFnd80/06171916332D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -2.5625    0.7250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0833    0.0583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2958    0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5625    0.3125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0833    1.3958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8500   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2958    1.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2792   -0.0917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292    0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2792   -0.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8500   -0.9250    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.5625   -1.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292    1.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833    1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9917   -1.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3333   -0.7292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292   -1.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  6  2  0  0  0  0
  5  1  2  0  0  0  0
  6 10  1  0  0  0  0
  7  5  1  0  0  0  0
  8  4  1  0  0  0  0
  9  3  1  0  0  0  0
 10  9  2  0  0  0  0
 11 13  1  0  0  0  0
 12  6  1  0  0  0  0
 13 12  1  0  0  0  0
 14 15  2  0  0  0  0
 15  7  1  0  0  0  0
 16 11  2  0  0  0  0
 17  2  1  0  0  0  0
 18 12  1  0  0  0  0
  3  7  2  0  0  0  0
 14 10  1  0  0  0  0
  8 11  1  0  0  0  0
M  END
>  <Mol_ID> (5,712)
5712

>  <Formula> (5,712)
C11H11N5O2

>  <MolWeight> (5,712)
245.23734

>  <COMPOUND_NAME> (5,712)
WAY-602825

>  <BAR_CODE_NO> (5,712)
90436346

$$$$
WAY-602834-A
csChFnd80/06171916332D

 15 16  0  0  0  0  0  0  0  0999 V2000
    3.0750   -0.0167    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.0750   -0.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8167   -1.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3625    0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3625    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3292   -1.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0042   -2.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0750    1.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    1.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4875   -2.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1500   -2.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0750    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6625   -2.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3625    2.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  5  1  0  0  0  0
  9  5  2  0  0  0  0
 10  7  1  0  0  0  0
 11  6  1  0  0  0  0
 12  9  1  0  0  0  0
 13  8  2  0  0  0  0
 14 11  1  0  0  0  0
 15 13  1  0  0  0  0
 10 14  1  0  0  0  0
 12 15  2  0  0  0  0
M  END
>  <Mol_ID> (5,713)
5713

>  <Formula> (5,713)
C13H19N2+

>  <MolWeight> (5,713)
203.30336

>  <COMPOUND_NAME> (5,713)
WAY-602834

>  <BAR_CODE_NO> (5,713)
90436358

$$$$
WAY-602901
csChFnd80/06171916332D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -1.5833    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5833   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958    0.2583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2958    0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0125   -0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2958   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3125   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958   -1.0792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7250    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2958   -2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5125   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2958    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7250   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458   -1.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9875    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9250    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1625    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4000    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4000    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7500    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2250    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2250    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6375    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  6  1  0  0  0  0
  6  4  1  0  0  0  0
  7  2  1  0  0  0  0
  8  3  2  0  0  0  0
  9  2  1  0  0  0  0
 10  6  2  0  0  0  0
 11  7  2  0  0  0  0
 12  8  1  0  0  0  0
 13  4  1  0  0  0  0
 14  5  1  0  0  0  0
 15  9  1  0  0  0  0
 16 18  1  0  0  0  0
 17 12  1  0  0  0  0
 18 21  1  0  0  0  0
 19 16  2  0  0  0  0
 20 16  1  0  0  0  0
 21 17  1  0  0  0  0
 22 20  2  0  0  0  0
 23 19  1  0  0  0  0
 24 22  1  0  0  0  0
  8  9  1  0  0  0  0
  5  7  1  0  0  0  0
 24 23  2  0  0  0  0
M  END
>  <Mol_ID> (5,714)
5714

>  <Formula> (5,714)
C17H21N5O2

>  <MolWeight> (5,714)
327.38094

>  <COMPOUND_NAME> (5,714)
WAY-602901

>  <BAR_CODE_NO> (5,714)
90436427

$$$$
WAY-603012
csChFnd80/06171916332D

 27 29  0  0  0  0  0  0  0  0999 V2000
    0.0051   -0.4389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0465    0.1783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0466    0.1507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0223   -1.6493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0327    1.3956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1051   -0.4113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0880   -0.4734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0639    1.3611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0844   -2.2389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0087   -2.2699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0741    2.0163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4051    2.1749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1499    0.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1258   -1.6148    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1466    0.1197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0742   -1.6768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1225    1.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5294    2.1025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0982   -3.4527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9949   -3.4837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1327    1.4232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1639    1.3335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0568   -4.0768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3292    1.2301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5292    2.5714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5984    2.4645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3604    1.1059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
  6 13  1  0  0  0  0
  6 14  2  0  0  0  0
  7 15  1  0  0  0  0
  7 16  2  0  0  0  0
  8 17  1  0  0  0  0
  8 18  2  0  0  0  0
  9 19  1  0  0  0  0
 10 20  2  0  0  0  0
 11 21  1  0  0  0  0
 15 22  1  0  0  0  0
 19 23  2  0  0  0  0
 21 24  1  0  0  0  0
 21 25  1  0  0  0  0
 22 26  1  0  0  0  0
 22 27  1  0  0  0  0
 13 21  1  0  0  0  0
 17 22  1  0  0  0  0
 20 23  1  0  0  0  0
M  END
>  <Mol_ID> (5,715)
5715

>  <Formula> (5,715)
C23H28O4

>  <MolWeight> (5,715)
368.46602

>  <COMPOUND_NAME> (5,715)
WAY-603012

>  <BAR_CODE_NO> (5,715)
90436541

$$$$
WAY-603024
csChFnd80/06171916332D

 28 31  0  0  0  0  0  0  0  0999 V2000
    0.0292    0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4500    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292    1.9208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167    1.6708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167    0.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208   -0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2750    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292   -0.8125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958   -3.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7625    0.5875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792    2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333   -3.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333   -0.3667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7625    1.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5458    0.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1375   -4.5625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5458    1.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0750   -1.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667   -2.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9875   -2.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4958   -4.1167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7333   -1.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6250   -2.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2375    1.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667    3.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9042    2.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8167    3.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  5  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9 12  1  0  0  0  0
 10  7  1  0  0  0  0
 11  4  1  0  0  0  0
 12 19  1  0  0  0  0
 13  6  2  0  0  0  0
 14  7  2  0  0  0  0
 15 10  1  0  0  0  0
 16  9  2  0  0  0  0
 17 14  1  0  0  0  0
 18  8  1  0  0  0  0
 19 23  2  0  0  0  0
 20 22  1  0  0  0  0
 21  9  1  0  0  0  0
 22 18  2  0  0  0  0
 23 18  1  0  0  0  0
 24 11  1  0  0  0  0
 25 11  2  0  0  0  0
 26 25  1  0  0  0  0
 27 24  2  0  0  0  0
 28 26  2  0  0  0  0
  3  4  1  0  0  0  0
 15 17  2  0  0  0  0
 12 20  2  0  0  0  0
 28 27  1  0  0  0  0
M  END
>  <Mol_ID> (5,716)
5716

>  <Formula> (5,716)
C21H16N4O2S

>  <MolWeight> (5,716)
388.44234

>  <COMPOUND_NAME> (5,716)
WAY-603024

>  <BAR_CODE_NO> (5,716)
90436558

$$$$
WAY-603031
csChFnd80/06171916332D

 28 31  0  0  0  0  0  0  0  0999 V2000
    0.0292    0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4500    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292    1.9208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167    1.6708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167    0.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208   -0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2750    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292   -0.8125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7625    0.5875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792    2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333   -0.3667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333   -3.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7625    1.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958   -3.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5458    0.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5458    1.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0750   -1.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667   -2.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9875   -2.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7333   -1.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6250   -2.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4958   -4.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1375   -4.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2375    1.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667    3.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9042    2.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8167    3.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  5  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9  7  1  0  0  0  0
 10  4  1  0  0  0  0
 11  6  2  0  0  0  0
 12 18  1  0  0  0  0
 13  7  2  0  0  0  0
 14 12  1  0  0  0  0
 15  9  1  0  0  0  0
 16 13  1  0  0  0  0
 17  8  1  0  0  0  0
 18 21  2  0  0  0  0
 19 20  1  0  0  0  0
 20 17  2  0  0  0  0
 21 17  1  0  0  0  0
 22 14  1  0  0  0  0
 23 14  1  0  0  0  0
 24 10  1  0  0  0  0
 25 10  2  0  0  0  0
 26 25  1  0  0  0  0
 27 24  2  0  0  0  0
 28 26  2  0  0  0  0
  3  4  1  0  0  0  0
 15 16  2  0  0  0  0
 12 19  2  0  0  0  0
 28 27  1  0  0  0  0
M  END
>  <Mol_ID> (5,717)
5717

>  <Formula> (5,717)
C22H20N4OS

>  <MolWeight> (5,717)
388.4854

>  <COMPOUND_NAME> (5,717)
WAY-603031

>  <BAR_CODE_NO> (5,717)
90436565

$$$$
WAY-603041
csChFnd80/06171916332D

 23 26  0  0  0  0  0  0  0  0999 V2000
   -0.1643    0.5894    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1643   -0.8382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0771    1.3066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3988    1.3066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0771   -1.5555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3988   -1.5555    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0771    2.7376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3184    0.5894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6402    0.5894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3988    2.7376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3184   -0.8382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0771   -2.9865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6402   -0.8382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3184    3.4549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5564    1.3066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8816    1.3066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5564   -1.5555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3184   -3.7037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8816   -1.5555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5564    2.7376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1195    0.5894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5564   -2.9865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1195   -0.8382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
  6 13  1  0  0  0  0
  7 14  2  0  0  0  0
  8 15  1  0  0  0  0
  9 16  2  0  0  0  0
 11 17  2  0  0  0  0
 12 18  1  0  0  0  0
 13 19  2  0  0  0  0
 14 20  1  0  0  0  0
 16 21  1  0  0  0  0
 17 22  1  0  0  0  0
 19 23  1  0  0  0  0
  9 13  1  0  0  0  0
 15 20  2  0  0  0  0
 18 22  2  0  0  0  0
 21 23  2  0  0  0  0
M  END
>  <Mol_ID> (5,718)
5718

>  <Formula> (5,718)
C20H14N2O

>  <MolWeight> (5,718)
298.33796

>  <COMPOUND_NAME> (5,718)
WAY-603041

>  <BAR_CODE_NO> (5,718)
90436575

$$$$
WAY-603042
csChFnd80/06171916332D

 27 31  0  0  0  0  0  0  0  0999 V2000
   -0.4208    0.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083   -0.3750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083    0.9625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6875   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6875    0.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042    0.2958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8792    1.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6500   -1.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2917    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4292    2.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1000    1.1833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0542    1.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8792    0.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6417    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000   -1.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0542    0.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4083   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4083    1.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458   -2.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0083   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1208   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1208    0.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5583   -2.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -3.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3083   -2.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7 13  1  0  0  0  0
  8  2  1  0  0  0  0
  9 14  1  0  0  0  0
 10  7  1  0  0  0  0
 11  9  1  0  0  0  0
 12 10  1  0  0  0  0
 13 16  2  0  0  0  0
 14 18  2  0  0  0  0
 15  6  1  0  0  0  0
 16 15  1  0  0  0  0
 17  8  1  0  0  0  0
 18 16  1  0  0  0  0
 19  4  1  0  0  0  0
 20  5  1  0  0  0  0
 21 17  2  0  0  0  0
 22 17  1  0  0  0  0
 23 19  2  0  0  0  0
 24 20  2  0  0  0  0
 25 22  2  0  0  0  0
 26 21  1  0  0  0  0
 27 25  1  0  0  0  0
  4  5  2  0  0  0  0
 23 24  1  0  0  0  0
  9  7  2  0  0  0  0
 27 26  2  0  0  0  0
 12 11  1  0  0  0  0
M  END
>  <Mol_ID> (5,719)
5719

>  <Formula> (5,719)
C22H19N3O2

>  <MolWeight> (5,719)
357.40516

>  <COMPOUND_NAME> (5,719)
WAY-603042

>  <BAR_CODE_NO> (5,719)
90436576

$$$$
WAY-603055
csChFnd80/06171916332D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -0.1333    1.4708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1375    1.0583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1375    1.8833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542    2.1333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9417   -1.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0917    0.0208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3917   -1.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9583    1.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667   -1.9042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6500   -0.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7750   -2.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1042   -2.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -1.5542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4875   -3.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708    0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708    2.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1958    2.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1958    0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6083    1.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6  8  1  0  0  0  0
  7  2  1  0  0  0  0
  8 11  1  0  0  0  0
  9  1  1  0  0  0  0
 10  6  1  0  0  0  0
 11  7  1  0  0  0  0
 12  6  2  0  0  0  0
 13 10  1  0  0  0  0
 14  8  2  0  0  0  0
 15 12  1  0  0  0  0
 16  9  2  0  0  0  0
 17  9  1  0  0  0  0
 18 17  2  0  0  0  0
 19 16  1  0  0  0  0
 20 18  1  0  0  0  0
  4  3  1  0  0  0  0
 20 19  2  0  0  0  0
 13 15  2  0  0  0  0
M  END
>  <Mol_ID> (5,720)
5720

>  <Formula> (5,720)
C13H10N4O2S

>  <MolWeight> (5,720)
286.3091

>  <COMPOUND_NAME> (5,720)
WAY-603055

>  <BAR_CODE_NO> (5,720)
90436589

$$$$
WAY-603094
csChFnd80/06171916332D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -0.4083    0.1083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792   -0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8958   -0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792   -0.9750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4083   -1.2292    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.6583    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0417    0.3333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208   -0.5625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583   -2.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1083    1.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1083   -2.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3625    2.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   -2.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3625   -3.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1875    2.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2500    1.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917    2.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  2  0  0  0  0
  8  3  2  0  0  0  0
  9  5  1  0  0  0  0
 10  6  1  0  0  0  0
 11  9  1  0  0  0  0
 12 10  1  0  0  0  0
 13 10  2  0  0  0  0
 14 11  1  0  0  0  0
 15 11  1  0  0  0  0
 16 13  1  0  0  0  0
 17 12  2  0  0  0  0
 18 16  2  0  0  0  0
  4  5  1  0  0  0  0
 18 17  1  0  0  0  0
M  END
>  <Mol_ID> (5,721)
5721

>  <Formula> (5,721)
C14H18N2OS

>  <MolWeight> (5,721)
262.37052

>  <COMPOUND_NAME> (5,721)
WAY-603094

>  <BAR_CODE_NO> (5,721)
90436629

$$$$
WAY-603099
csChFnd80/06171916332D

 17 19  0  0  0  0  0  0  0  0999 V2000
    1.9542    0.6083    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1000   -0.0542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833    0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792    0.1958    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.6792    1.0208    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.1000    1.2750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4667   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4667    1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4083    0.6083    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.7417    0.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7417    0.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583   -0.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4958   -1.7667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1625   -1.0167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.3208   -1.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833   -0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4875   -0.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  5  1  0  0  0  0
  7  1  1  0  0  0  0
  8  1  1  0  0  0  0
  9  3  2  0  0  0  0
 10  1  2  0  0  0  0
 11  1  2  0  0  0  0
 12  2  1  0  0  0  0
 13 14  1  0  0  0  0
 14 12  1  0  0  0  0
 15 13  1  0  0  0  0
 16 14  1  0  0  0  0
 17 16  1  0  0  0  0
  4  5  1  0  0  0  0
  3  2  1  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <Mol_ID> (5,722)
5722

>  <Formula> (5,722)
C10H15NO3S3

>  <MolWeight> (5,722)
293.426

>  <COMPOUND_NAME> (5,722)
WAY-603099

>  <BAR_CODE_NO> (5,722)
90436634

$$$$
WAY-603102
csChFnd80/06171916332D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.3726   -0.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6684   -1.0822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3851   -1.4947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1726   -1.7572    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3316   -0.2572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1726   -0.4072    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3316    0.5678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3316   -1.9155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0441   -0.6780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0524    0.9720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3726    0.9720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4851   -1.0822    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0441   -1.4947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0649    1.7928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3726    1.8053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3441    2.2178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7774    2.2053    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.0851    2.2178    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.7649   -1.9155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  6  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  1  0  0  0  0
  7  5  1  0  0  0  0
  8  3  2  0  0  0  0
  9  5  1  0  0  0  0
 10  7  1  0  0  0  0
 11  7  2  0  0  0  0
 12  2  2  0  0  0  0
 13  9  2  0  0  0  0
 14 10  2  0  0  0  0
 15 11  1  0  0  0  0
 16 15  2  0  0  0  0
 17 14  1  0  0  0  0
 18 15  1  0  0  0  0
 19 13  1  0  0  0  0
  4  2  1  0  0  0  0
 13  8  1  0  0  0  0
 16 14  1  0  0  0  0
M  END
>  <Mol_ID> (5,723)
5723

>  <Formula> (5,723)
C13H6Cl2O3S

>  <MolWeight> (5,723)
313.15594

>  <COMPOUND_NAME> (5,723)
WAY-603102

>  <BAR_CODE_NO> (5,723)
90436638

$$$$
WAY-603103
csChFnd80/06171916332D

 35 39  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833   -0.1417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833    1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708    0.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708    0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.5208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9833   -0.3042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125    1.2333    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.3000    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9833    1.3458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333    1.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -0.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333   -0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0250    2.7583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6958    0.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6958    0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125   -0.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5375    1.2333    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.3000    1.9583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -0.9042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750   -0.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000   -0.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5375   -0.1917    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833   -1.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4125    1.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4125   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5875   -1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5250   -2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1250    0.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1250    0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833   -2.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1458   -1.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8875   -2.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8  9  1  0  0  0  0
  9 12  1  0  0  0  0
 10  5  1  0  0  0  0
 11  6  1  0  0  0  0
 12 14  2  0  0  0  0
 13  3  1  0  0  0  0
 14 11  1  0  0  0  0
 15  2  1  0  0  0  0
 16 13  3  0  0  0  0
 17  7  2  0  0  0  0
 18 10  2  0  0  0  0
 19 24  1  0  0  0  0
 20  8  1  0  0  0  0
 21  8  2  0  0  0  0
 22 11  2  0  0  0  0
 23 14  1  0  0  0  0
 24 23  2  0  0  0  0
 25 19  1  0  0  0  0
 26 15  1  0  0  0  0
 27 18  1  0  0  0  0
 28 17  1  0  0  0  0
 29 26  1  0  0  0  0
 30 26  2  0  0  0  0
 31 28  2  0  0  0  0
 32 27  2  0  0  0  0
 33 30  1  0  0  0  0
 34 29  2  0  0  0  0
 35 33  2  0  0  0  0
  4  5  2  0  0  0  0
 17 18  1  0  0  0  0
 19  9  2  0  0  0  0
 31 32  1  0  0  0  0
 35 34  1  0  0  0  0
M  END
>  <Mol_ID> (5,724)
5724

>  <Formula> (5,724)
C25H15ClN6O3

>  <MolWeight> (5,724)
482.878

>  <COMPOUND_NAME> (5,724)
WAY-603103

>  <BAR_CODE_NO> (5,724)
90436639

$$$$
WAY-603131
csChFnd80/06171916332D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.6880    0.6582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4210   -1.7906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1816    0.7964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9274   -1.9288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0609   -0.7044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0481   -0.4280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5854    1.3626    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8332    2.1952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0106    1.2658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8881   -2.6774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1905   -1.3494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3869   -2.7372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9917   -0.0814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1881   -1.4691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4905   -0.1412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8192    3.2389    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1168    2.6391    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1785    1.8826    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5417   -0.2898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1689    1.0728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4082   -1.5143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  2  1  0  0  0  0
  4  5  2  0  0  0  0
  6 19  1  0  0  0  0
  7 13  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 15  9  1  0  0  0  0
 10 11  2  0  0  0  0
 12 10  1  0  0  0  0
 13 11  1  0  0  0  0
 14 12  2  0  0  0  0
 13 15  2  0  0  0  0
 15 14  1  0  0  0  0
  1 18  1  0  0  0  0
 18 16  2  0  0  0  0
 18 17  2  0  0  0  0
 18  7  1  0  0  0  0
  1  3  2  0  0  0  0
  5  1  1  0  0  0  0
  6  2  2  0  0  0  0
  3  6  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <Mol_ID> (5,725)
5725

>  <Formula> (5,725)
C15H13NO4S

>  <MolWeight> (5,725)
303.33302

>  <COMPOUND_NAME> (5,725)
WAY-603131

>  <BAR_CODE_NO> (5,725)
90436669

$$$$
WAY-603221
csChFnd80/06171916332D

 27 31  0  0  0  0  0  0  0  0999 V2000
    0.5000   -0.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167    0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5250    0.8083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7000   -0.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1875    0.0083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0917   -0.7417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9833   -0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2458   -1.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9833   -1.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8417   -0.6292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2917    1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6833   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667    2.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5583    1.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7125    0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708   -2.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4208   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8625   -2.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3833   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6000   -2.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9375    0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4042    1.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1750    2.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7042    0.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8167    1.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  5  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  2  0  0  0  0
  6  8  1  0  0  0  0
  7  6  2  0  0  0  0
  8  1  1  0  0  0  0
  9  7  1  0  0  0  0
 10  6  1  0  0  0  0
 11 10  1  0  0  0  0
 12  2  2  0  0  0  0
 13  4  1  0  0  0  0
 14 11  1  0  0  0  0
 15  3  1  0  0  0  0
 16  5  1  0  0  0  0
 17  9  1  0  0  0  0
 18 10  2  0  0  0  0
 19 17  2  0  0  0  0
 20 18  1  0  0  0  0
 21 14  2  0  0  0  0
 22 20  2  0  0  0  0
 23 13  1  0  0  0  0
 24 13  2  0  0  0  0
 25 24  1  0  0  0  0
 26 23  2  0  0  0  0
 27 25  2  0  0  0  0
  3  4  1  0  0  0  0
 11  9  2  0  0  0  0
 22 14  1  0  0  0  0
 21 19  1  0  0  0  0
 27 26  1  0  0  0  0
M  END
>  <Mol_ID> (5,726)
5726

>  <Formula> (5,726)
C22H18N4O

>  <MolWeight> (5,726)
354.40452

>  <COMPOUND_NAME> (5,726)
WAY-603221

>  <BAR_CODE_NO> (5,726)
90436764

$$$$
WAY-603231
csChFnd80/06171916332D

 23 26  0  0  0  0  0  0  0  0999 V2000
   -1.0583   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042    0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458    0.3958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333   -0.2792    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.5458   -0.9417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1792    0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4875    1.1083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4875   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3333    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1792   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3333   -0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667    0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917   -1.7042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667    0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333    1.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0458    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0458   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9875    1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9875   -0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7000    0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7583   -0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7583    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7000    0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  6  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  2  1  0  0  0  0
  8  2  2  0  0  0  0
  9  3  1  0  0  0  0
 10  4  1  0  0  0  0
 11  5  1  0  0  0  0
 12  7  1  0  0  0  0
 13 10  3  0  0  0  0
 14  8  1  0  0  0  0
 15  6  2  0  0  0  0
 16  9  1  0  0  0  0
 17 11  1  0  0  0  0
 18 12  1  0  0  0  0
 19 14  1  0  0  0  0
 20 18  2  0  0  0  0
 21 17  2  0  0  0  0
 22 16  2  0  0  0  0
 23 19  2  0  0  0  0
 11  9  2  0  0  0  0
 21 22  1  0  0  0  0
 12 14  2  0  0  0  0
 20 23  1  0  0  0  0
M  END
>  <Mol_ID> (5,727)
5727

>  <Formula> (5,727)
C18H10N2O2S

>  <MolWeight> (5,727)
318.3492

>  <COMPOUND_NAME> (5,727)
WAY-603231

>  <BAR_CODE_NO> (5,727)
90436774

$$$$
WAY-603234
csChFnd80/06171916332D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.1750   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3125    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2375   -0.9917    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.0000   -0.1667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3125   -0.8292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4125    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0917   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0917    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5250   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2375   -1.8167    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.9542   -0.5792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000    1.2625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2375    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042    0.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5250    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8958    0.5458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4750   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4750    1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6500   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6500    1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  9  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  5  1  0  0  0  0
  8  2  1  0  0  0  0
  9 10  2  0  0  0  0
 10  7  1  0  0  0  0
 11  3  1  0  0  0  0
 12  3  2  0  0  0  0
 13  6  2  0  0  0  0
 14  6  1  0  0  0  0
 15  8  1  0  0  0  0
 16 15  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 14  2  0  0  0  0
 21 14  1  0  0  0  0
  7  8  2  0  0  0  0
 16  9  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (5,728)
5728

>  <Formula> (5,728)
C13H8N4O3S

>  <MolWeight> (5,728)
300.29262

>  <COMPOUND_NAME> (5,728)
WAY-603234

>  <BAR_CODE_NO> (5,728)
90436779

$$$$
WAY-603240
csChFnd80/06171916332D

 30 33  0  0  0  0  0  0  0  0999 V2000
    1.8792   -0.0667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5917   -0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667    0.3458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5917   -1.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8792   -1.7167    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.6958    0.3458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9833   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2625    0.3458    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.4500   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4083   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4667   -0.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2917    0.6458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1208    0.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667   -1.3042    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.8792   -2.5417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6958    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9833   -0.8917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1208    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4083    1.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3042   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3042   -1.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2625    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4500    1.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8375   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8375    1.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0167   -0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0167   -1.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5500    0.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5500    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  4  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  3  1  0  0  0  0
 10  6  1  0  0  0  0
 11  1  2  0  0  0  0
 12  1  2  0  0  0  0
 13 10  1  0  0  0  0
 14  5  1  0  0  0  0
 15  5  2  0  0  0  0
 16  6  1  0  0  0  0
 17  7  2  0  0  0  0
 18 19  1  0  0  0  0
 19 16  1  0  0  0  0
 20  3  1  0  0  0  0
 21  2  1  0  0  0  0
 22  4  1  0  0  0  0
 23 24  1  0  0  0  0
 24 20  1  0  0  0  0
 25 13  1  0  0  0  0
 26 18  1  0  0  0  0
 27 21  2  0  0  0  0
 28 27  1  0  0  0  0
 29 25  2  0  0  0  0
 30 26  2  0  0  0  0
 23  8  1  0  0  0  0
 28 22  2  0  0  0  0
 18 13  2  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (5,729)
5729

>  <Formula> (5,729)
C21H23N3O5S

>  <MolWeight> (5,729)
429.48942

>  <COMPOUND_NAME> (5,729)
WAY-603240

>  <BAR_CODE_NO> (5,729)
90436786

$$$$
WAY-603264
csChFnd80/06171916332D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -0.3743    0.0424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6576    0.8174    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0326   -0.4576    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4132   -0.2034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4701    0.8049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7076    0.0091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9882   -0.6909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6007   -1.0077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0174    0.3591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9701    1.4549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3882   -1.2451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8049    0.1174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7 12  1  0  0  0  0
  8  4  1  0  0  0  0
  9  4  1  0  0  0  0
 10  5  1  0  0  0  0
 11  8  1  0  0  0  0
 12  9  1  0  0  0  0
  5  6  2  0  0  0  0
 11  7  1  0  0  0  0
M  END
>  <Mol_ID> (5,730)
5730

>  <Formula> (5,730)
C8H12N2OS

>  <MolWeight> (5,730)
184.25868

>  <COMPOUND_NAME> (5,730)
WAY-603264

>  <BAR_CODE_NO> (5,730)
90436810

$$$$
WAY-603272
csChFnd80/06171916332D

 24 25  0  0  0  0  0  0  0  0999 V2000
   -1.1500    0.5208    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.4333    0.1083    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.1500    1.3458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333    1.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792    0.5208    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.9583    0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792    1.3458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917    0.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333    2.5833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7583    1.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1500   -1.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1375    1.1375    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7583    0.1500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7708   -0.4667    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7042    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792   -1.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    0.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7042   -1.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1375   -1.1292    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.2792   -1.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917   -2.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8  2  1  0  0  0  0
  9  5  1  0  0  0  0
 10  4  2  0  0  0  0
 11  1  1  0  0  0  0
 12  8  2  0  0  0  0
 13  6  1  0  0  0  0
 14  6  1  0  0  0  0
 15  6  1  0  0  0  0
 16  9  1  0  0  0  0
 17  9  2  0  0  0  0
 18  8  1  0  0  0  0
 19 20  2  0  0  0  0
 20 17  1  0  0  0  0
 21 16  2  0  0  0  0
 22 19  1  0  0  0  0
 23 18  1  0  0  0  0
 24 23  1  0  0  0  0
  7  5  1  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <Mol_ID> (5,731)
5731

>  <Formula> (5,731)
C14H14ClF3N2O3S

>  <MolWeight> (5,731)
382.7857696

>  <COMPOUND_NAME> (5,731)
WAY-603272

>  <BAR_CODE_NO> (5,731)
90436818

$$$$
WAY-603273
csChFnd80/06171916332D

 26 28  0  0  0  0  0  0  0  0999 V2000
    1.4125   -0.5042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.7000   -0.0917    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.4125   -1.3292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208   -0.5042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.7000   -1.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2167   -0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208   -1.3292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7333   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1583   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4458   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   -2.5667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1583    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9458   -0.3417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9458    0.9875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4333    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167   -1.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7333    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4125    1.1458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0167   -0.1375    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0292    0.4833    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -1.1250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4458    1.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208    1.1458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208    1.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7333    2.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  5  1  0  0  0  0
  8  4  1  0  0  0  0
  9  2  1  0  0  0  0
 10 11  1  0  0  0  0
 11  8  2  0  0  0  0
 12  5  2  0  0  0  0
 13 23  1  0  0  0  0
 14 10  1  0  0  0  0
 15 13  1  0  0  0  0
 16 14  1  0  0  0  0
 17  1  1  0  0  0  0
 18  8  1  0  0  0  0
 19  9  2  0  0  0  0
 20  6  1  0  0  0  0
 21  6  1  0  0  0  0
 22  6  1  0  0  0  0
 23 18  2  0  0  0  0
 24  9  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
  7  4  1  0  0  0  0
 13 10  2  0  0  0  0
 16 15  1  0  0  0  0
M  END
>  <Mol_ID> (5,732)
5732

>  <Formula> (5,732)
C15H15F3N2O5S

>  <MolWeight> (5,732)
392.3502096

>  <COMPOUND_NAME> (5,732)
WAY-603273

>  <BAR_CODE_NO> (5,732)
90436819

$$$$
WAY-603280
csChFnd80/06171916332D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.0458   -0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4375   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167   -0.2875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167   -1.1125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4375   -1.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708   -0.7000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1083    0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2833    0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5208   -0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8917    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1792    0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1083   -1.4167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3458   -0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1792   -2.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5208    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6417   -0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1083    1.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2833    1.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4667    1.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3125    0.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2250    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  8  2  0  0  0  0
  8  6  1  0  0  0  0
  9  7  1  0  0  0  0
 10  3  1  0  0  0  0
 11  2  1  0  0  0  0
 12  9  2  0  0  0  0
 13  9  1  0  0  0  0
 14  5  1  0  0  0  0
 15  7  1  0  0  0  0
 16  8  1  0  0  0  0
 17 10  1  0  0  0  0
 18 10  2  0  0  0  0
 19 20  1  0  0  0  0
 20 16  2  0  0  0  0
 21 18  1  0  0  0  0
 22 17  2  0  0  0  0
 23 21  2  0  0  0  0
  3  4  1  0  0  0  0
 19 15  2  0  0  0  0
 23 22  1  0  0  0  0
M  END
>  <Mol_ID> (5,733)
5733

>  <Formula> (5,733)
C17H15N3O2S

>  <MolWeight> (5,733)
325.3849

>  <COMPOUND_NAME> (5,733)
WAY-603280

>  <BAR_CODE_NO> (5,733)
90436826

$$$$
WAY-603314
csChFnd80/06171916332D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -0.5833    1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8333    0.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0625    2.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833    0.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5375   -0.4875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833    3.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6458    0.7375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042    2.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167   -1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167   -2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6667   -2.9417    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.8167   -0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458   -1.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3750   -1.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3125   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  2  1  0  0  0  0
  6  5  1  0  0  0  0
  7  3  1  0  0  0  0
  8  2  2  0  0  0  0
  9  4  1  0  0  0  0
 10  6  1  0  0  0  0
 11 16  2  0  0  0  0
 12 11  1  0  0  0  0
 13 10  1  0  0  0  0
 14 10  2  0  0  0  0
 15 13  2  0  0  0  0
 16 14  1  0  0  0  0
  7  9  2  0  0  0  0
 15 11  1  0  0  0  0
M  END
>  <Mol_ID> (5,734)
5734

>  <Formula> (5,734)
C12H9ClO2S

>  <MolWeight> (5,734)
252.71666

>  <COMPOUND_NAME> (5,734)
WAY-603314

>  <BAR_CODE_NO> (5,734)
90436861

$$$$
WAY-603358
csChFnd80/06171916332D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.2953   -0.1704    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8113    0.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2267    0.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2267    0.7296    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7517   -0.1704    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3363   -0.1704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8113    0.7326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2893    1.0326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3363   -0.7674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7867   -0.7674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3273    1.0356    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.8553    0.1326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2677    0.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7517   -0.7764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2677   -1.0704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7837   -0.1674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  2  1  0  0  0  0
  8  4  1  0  0  0  0
  9  6  2  0  0  0  0
 10 15  1  0  0  0  0
 11  7  1  0  0  0  0
 12  6  1  0  0  0  0
 13  5  1  0  0  0  0
 14  5  1  0  0  0  0
 15 14  1  0  0  0  0
 16 13  1  0  0  0  0
  7  8  2  0  0  0  0
 16 10  1  0  0  0  0
M  END
>  <Mol_ID> (5,735)
5735

>  <Formula> (5,735)
C9H10ClN3O3

>  <MolWeight> (5,735)
243.647

>  <COMPOUND_NAME> (5,735)
WAY-603358

>  <BAR_CODE_NO> (5,735)
90436905

$$$$
WAY-603359
csChFnd80/06171916332D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.0000   -0.4625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208   -0.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208    0.7750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125    0.7750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208   -1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333   -0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333    0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.1125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1458   -0.8750    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333   -2.1125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4250    0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4250    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1417    0.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1417    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  2  2  0  0  0  0
  8  4  2  0  0  0  0
  9  6  2  0  0  0  0
 10  7  1  0  0  0  0
 11  6  1  0  0  0  0
 12  5  1  0  0  0  0
 13  5  1  0  0  0  0
 14 13  1  0  0  0  0
 15 12  1  0  0  0  0
 16 14  1  0  0  0  0
  7  8  1  0  0  0  0
 16 15  1  0  0  0  0
M  END
>  <Mol_ID> (5,736)
5736

>  <Formula> (5,736)
C10H12ClN3O2

>  <MolWeight> (5,736)
241.67418

>  <COMPOUND_NAME> (5,736)
WAY-603359

>  <BAR_CODE_NO> (5,736)
90436907

$$$$
WAY-603392
csChFnd80/06171916332D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.1726   -0.8226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1149   -0.0684    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4649   -1.3351    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9274   -0.1101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9601   -1.0851    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4524    0.5274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1441   -0.8851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1649    1.3024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3524    1.4399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5226   -1.5851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6899    1.9399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1309   -1.8934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5726   -0.5309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3601   -0.7934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9101   -2.1476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4024    2.7066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9149    3.3399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  3  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  2  0  0  0  0
 10 14  1  0  0  0  0
 11  8  1  0  0  0  0
 12  5  1  0  0  0  0
 13  5  1  0  0  0  0
 14 13  1  0  0  0  0
 15 12  1  0  0  0  0
 16 11  1  0  0  0  0
 17 16  1  0  0  0  0
  4  7  2  0  0  0  0
 15 10  1  0  0  0  0
M  END
>  <Mol_ID> (5,737)
5737

>  <Formula> (5,737)
C11H16N2O3S

>  <MolWeight> (5,737)
256.32134

>  <COMPOUND_NAME> (5,737)
WAY-603392

>  <BAR_CODE_NO> (5,737)
90436942

$$$$
WAY-603398
csChFnd80/06171916332D

 11 12  0  0  0  0  0  0  0  0999 V2000
    0.8238   -1.4376    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8238    0.6727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0037   -2.4963    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4963   -1.4376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0037    1.7244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6549    1.7313    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8141   -1.4376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4963    0.6727    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8141    0.6727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0141    3.8313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6451   -2.4963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  7 11  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
M  END
>  <Mol_ID> (5,738)
5738

>  <Formula> (5,738)
C6H6N4O

>  <MolWeight> (5,738)
150.13804

>  <COMPOUND_NAME> (5,738)
WAY-603398

>  <BAR_CODE_NO> (5,738)
90436948

$$$$
WAY-603502-A
csChFnd80/06171916332D

 25 28  0  0  0  0  0  0  0  0999 V2000
    7.2042    0.2875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9167    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6292    0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7750   -0.5375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9167   -0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0625    0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3417    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8167    0.6208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.9167    0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292   -0.7917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292    0.5458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6292   -0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4917    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2042   -0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3667    0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9167    1.5250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1417   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3417   -0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9542   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0625   -0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6292    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4917   -0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7750    0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3417    0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4 23  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  7  3  2  0  0  0  0
  8  6  1  0  0  0  0
  9 22  1  0  0  0  0
 10  5  1  0  0  0  0
 11  9  1  0  0  0  0
 12 10  1  0  0  0  0
 13 19  2  0  0  0  0
 14  1  1  0  0  0  0
 15  1  1  0  0  0  0
 16  8  1  0  0  0  0
 17  2  2  0  0  0  0
 18  6  2  0  0  0  0
 19 21  1  0  0  0  0
 20 18  1  0  0  0  0
 21  4  1  0  0  0  0
 22 25  2  0  0  0  0
 23 15  1  0  0  0  0
 24 14  1  0  0  0  0
 25 19  1  0  0  0  0
  4 24  1  0  0  0  0
 16 20  2  0  0  0  0
  9  5  2  0  0  0  0
 12 11  1  0  0  0  0
M  END
>  <Mol_ID> (5,739)
5739

>  <Formula> (5,739)
C19H20N2O3S

>  <MolWeight> (5,739)
356.4387

>  <COMPOUND_NAME> (5,739)
WAY-603502

>  <BAR_CODE_NO> (5,739)
90437056

$$$$
WAY-603537
csChFnd80/06171916332D

 21 24  0  0  0  0  0  0  0  0999 V2000
    0.1292   -0.1917    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.1292    0.6333    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.6500   -0.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1375    0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6500    0.8833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9875   -1.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167   -0.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9583    0.1333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8083   -1.2917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2958   -0.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4042    0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000   -1.8750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292   -1.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1125   -0.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292    1.4583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542    1.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2250    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5542    1.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667    1.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8  4  1  0  0  0  0
  9  6  1  0  0  0  0
 10  9  1  0  0  0  0
 11  2  1  0  0  0  0
 12  7  1  0  0  0  0
 13  6  2  0  0  0  0
 14  7  2  0  0  0  0
 15  1  1  0  0  0  0
 16 10  2  0  0  0  0
 17  2  1  0  0  0  0
 18 11  1  0  0  0  0
 19 12  1  0  0  0  0
 20 19  2  0  0  0  0
 21 18  2  0  0  0  0
 11 12  2  0  0  0  0
  4  5  1  0  0  0  0
 10  8  1  0  0  0  0
 21 20  1  0  0  0  0
M  END
>  <Mol_ID> (5,740)
5740

>  <Formula> (5,740)
C13H9N3O5

>  <MolWeight> (5,740)
287.22766

>  <COMPOUND_NAME> (5,740)
WAY-603537

>  <BAR_CODE_NO> (5,740)
90437091

$$$$
WAY-603539-A
csChFnd80/06171916332D

 27 30  0  0  0  0  0  0  0  0999 V2000
    4.2292    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7417    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2292    1.9083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0125    1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0125    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9667   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9167    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4292    0.5708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5667   -3.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6792    2.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4292    1.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1667   -0.3875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5250   -0.8292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0542   -4.5792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2667   -1.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8167   -2.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1167   -3.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7542   -3.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5042   -3.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8625   -4.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4292    1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5917    2.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2625    3.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1000    2.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0125    3.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  5  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9 18  1  0  0  0  0
 10  4  1  0  0  0  0
 11  7  2  0  0  0  0
 12  8  1  0  0  0  0
 13  6  2  0  0  0  0
 14 11  1  0  0  0  0
 15  6  1  0  0  0  0
 16 22  1  0  0  0  0
 17 15  1  0  0  0  0
 18 17  1  0  0  0  0
 19  9  1  0  0  0  0
 20  9  1  0  0  0  0
 21 20  1  0  0  0  0
 22 19  1  0  0  0  0
 23 10  1  0  0  0  0
 24 10  2  0  0  0  0
 25 24  1  0  0  0  0
 26 23  2  0  0  0  0
 27 26  1  0  0  0  0
  3  4  1  0  0  0  0
 12 14  2  0  0  0  0
 25 27  2  0  0  0  0
 21 16  1  0  0  0  0
M  END
>  <Mol_ID> (5,741)
5741

>  <Formula> (5,741)
C20H22N4O2S

>  <MolWeight> (5,741)
382.47928

>  <COMPOUND_NAME> (5,741)
WAY-603539

>  <BAR_CODE_NO> (5,741)
90437093

$$$$
WAY-634421
csChFnd80/06171916332D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -3.0083    0.8708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833   -0.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4958    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2208   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0083   -0.4667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2208    0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083   -0.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6375   -0.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833   -1.4542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958    0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3500   -0.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667    0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7792   -0.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4917   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7792    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4917    0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  1  2  0  0  0  0
  4  7  2  0  0  0  0
  5 11  1  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8  4  1  0  0  0  0
  9  2  1  0  0  0  0
 10  2  2  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
 13  9  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 14  1  0  0  0  0
 17 16  2  0  0  0  0
 18 15  1  0  0  0  0
 19 17  1  0  0  0  0
  4  6  1  0  0  0  0
  5  8  2  0  0  0  0
 19 18  2  0  0  0  0
M  END
>  <Mol_ID> (5,742)
5742

>  <Formula> (5,742)
C15H12N2OS

>  <MolWeight> (5,742)
268.33358

>  <COMPOUND_NAME> (5,742)
WAY-634421

>  <BAR_CODE_NO> (5,742)
90468875

$$$$
WAY-634431
csChFnd80/06171916332D

 30 34  0  0  0  0  0  0  0  0999 V2000
    0.6917   -0.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9208    1.3458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9208    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2417   -1.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292   -2.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0625   -1.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2083    1.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0250   -1.9542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2083    0.1083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4958    1.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8625    0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4958    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667   -1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7083    0.2625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7750   -0.7167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7083    1.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1875    0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2083    2.5833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2167   -0.4875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7750    0.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -0.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542   -0.2875    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.2500    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5500   -1.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7042   -1.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8167    1.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3667   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167    1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042    1.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  1  0  0  0  0
  3  9  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  1  1  0  0  0  0
  7 10  1  0  0  0  0
  8  6  2  0  0  0  0
  9 12  1  0  0  0  0
 10 12  2  0  0  0  0
 11  1  1  0  0  0  0
 12 21  1  0  0  0  0
 13  4  1  0  0  0  0
 14  3  1  0  0  0  0
 15  6  1  0  0  0  0
 16  2  1  0  0  0  0
 17 14  1  0  0  0  0
 18  7  2  0  0  0  0
 19 11  2  0  0  0  0
 20 22  1  0  0  0  0
 21 15  1  0  0  0  0
 22 13  2  0  0  0  0
 23 19  1  0  0  0  0
 24 11  1  0  0  0  0
 25 13  1  0  0  0  0
 26 28  1  0  0  0  0
 27 19  1  0  0  0  0
 28 25  2  0  0  0  0
 29 24  2  0  0  0  0
 30 29  1  0  0  0  0
  5  8  1  0  0  0  0
 30 27  2  0  0  0  0
 26 20  2  0  0  0  0
  2  3  1  0  0  0  0
 17 16  2  0  0  0  0
M  END
>  <Mol_ID> (5,743)
5743

>  <Formula> (5,743)
C20H13FN6OS2

>  <MolWeight> (5,743)
436.4852232

>  <COMPOUND_NAME> (5,743)
WAY-634431

>  <BAR_CODE_NO> (5,743)
90468885

$$$$
WAY-634445
csChFnd80/06171916332D

 30 33  0  0  0  0  0  0  0  0999 V2000
    2.1417   -0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667   -0.8167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8917   -0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1417    0.2708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3542    0.5208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8625   -0.9667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8500    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1375    0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8583    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5667    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208    0.5875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083   -0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5667   -0.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583   -0.9292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958    1.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3000   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500   -0.6167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7708    0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5958    1.5250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1333    2.3833    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2958    2.6958    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4375   -2.5292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8417    1.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4625   -1.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0125   -1.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2875   -0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542   -1.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375   -2.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8  3  1  0  0  0  0
  9 12  1  0  0  0  0
 10 16  1  0  0  0  0
 11 14  1  0  0  0  0
 12  8  1  0  0  0  0
 13  9  2  0  0  0  0
 14  6  2  0  0  0  0
 15 13  1  0  0  0  0
 16 17  2  0  0  0  0
 17  9  1  0  0  0  0
 18 13  1  0  0  0  0
 19  8  2  0  0  0  0
 20 16  1  0  0  0  0
 21 10  1  0  0  0  0
 22 10  1  0  0  0  0
 23 10  1  0  0  0  0
 24 29  1  0  0  0  0
 25  7  1  0  0  0  0
 26 15  1  0  0  0  0
 27 15  1  0  0  0  0
 28 14  1  0  0  0  0
 29 27  1  0  0  0  0
 30 26  1  0  0  0  0
  3  5  2  0  0  0  0
  7 11  2  0  0  0  0
 20 18  2  0  0  0  0
 24 30  1  0  0  0  0
M  END
>  <Mol_ID> (5,744)
5744

>  <Formula> (5,744)
C19H19F3N6O2

>  <MolWeight> (5,744)
420.3883696

>  <COMPOUND_NAME> (5,744)
WAY-634445

>  <BAR_CODE_NO> (5,744)
90468899

$$$$
WAY-634471
csChFnd80/06171916332D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.7125    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4250   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1417    0.1333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083   -0.2792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1417   -1.5167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1458    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4250   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125    0.9583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1458    0.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333    1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8542   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8542   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208    0.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9333   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4208    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9333    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5667   -1.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  2  2  0  0  0  0
  8  4  1  0  0  0  0
  9  8  2  0  0  0  0
 10  1  2  0  0  0  0
 11 12  1  0  0  0  0
 12 15  2  0  0  0  0
 13  3  2  0  0  0  0
 14  5  2  0  0  0  0
 15  8  1  0  0  0  0
 16  6  1  0  0  0  0
 17 16  1  0  0  0  0
 18 11  1  0  0  0  0
 19 14  1  0  0  0  0
 13 14  1  0  0  0  0
 11  6  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (5,745)
5745

>  <Formula> (5,745)
C15H15N3O

>  <MolWeight> (5,745)
253.2991

>  <COMPOUND_NAME> (5,745)
WAY-634471

>  <BAR_CODE_NO> (5,745)
90468926

$$$$
WAY-634507
csChFnd80/06171916332D

 34 38  0  0  0  0  0  0  0  0999 V2000
    3.1875   -1.6792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2708    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5375   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4833   -0.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2708    0.8708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9500    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4833    1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7750   -0.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9500   -0.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5375    1.1750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0583   -0.2042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3000    0.4583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6000   -2.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4667   -2.0917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9000   -1.2667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7750    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1750    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0583    1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5375    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3000   -0.9667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1875   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7625    1.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7625   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5250    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9375    1.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9375   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7167    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8667    1.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1875   -3.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4250   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542    2.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417    2.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  2  0  0  0  0
  3 11  1  0  0  0  0
  4  6  1  0  0  0  0
  5  9  1  0  0  0  0
  6 19  1  0  0  0  0
  7  3  1  0  0  0  0
  8 18  1  0  0  0  0
  9  6  2  0  0  0  0
 10  1  1  0  0  0  0
 11 10  2  0  0  0  0
 12  8  1  0  0  0  0
 13  2  1  0  0  0  0
 14  7  1  0  0  0  0
 15  1  1  0  0  0  0
 16  1  2  0  0  0  0
 17  1  2  0  0  0  0
 18 23  2  0  0  0  0
 19 25  2  0  0  0  0
 20  5  1  0  0  0  0
 21 20  2  0  0  0  0
 22  7  2  0  0  0  0
 23 10  1  0  0  0  0
 24 27  2  0  0  0  0
 25 28  1  0  0  0  0
 26 14  1  0  0  0  0
 27 26  1  0  0  0  0
 28 26  2  0  0  0  0
 29 12  1  0  0  0  0
 30 12  1  0  0  0  0
 31 15  1  0  0  0  0
 32 15  1  0  0  0  0
 33 30  1  0  0  0  0
 34 29  1  0  0  0  0
  8  3  2  0  0  0  0
 34 33  1  0  0  0  0
 19 24  1  0  0  0  0
  2  5  1  0  0  0  0
 21 13  1  0  0  0  0
M  END
>  <Mol_ID> (5,746)
5746

>  <Formula> (5,746)
C24H25N5O3S2

>  <MolWeight> (5,746)
495.617

>  <COMPOUND_NAME> (5,746)
WAY-634507

>  <BAR_CODE_NO> (5,746)
90468964

$$$$
WAY-634855
csChFnd80/06171916332D

 31 34  0  0  0  0  0  0  0  0999 V2000
   -1.9125    0.7875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000    1.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5625   -0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3875   -0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1833    0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1833    1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0875    0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8000    0.0708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8625   -0.6417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1500   -1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1500    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1458    2.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1458   -0.6667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2750    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8000   -1.3542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6750    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6250    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6750   -1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0375   -0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0875   -0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8625    0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1000    0.0708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0375    0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5625   -2.0667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8958   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8958    1.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5125    0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1500   -2.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6125    0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6125    1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4 12  1  0  0  0  0
  5  4  1  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8  1  1  0  0  0  0
  9  5  1  0  0  0  0
 10 20  1  0  0  0  0
 11 19  1  0  0  0  0
 12 17  2  0  0  0  0
 13  2  2  0  0  0  0
 14  3  2  0  0  0  0
 15 22  1  0  0  0  0
 16  5  2  0  0  0  0
 17  8  1  0  0  0  0
 18  9  1  0  0  0  0
 19 21  2  0  0  0  0
 20 18  2  0  0  0  0
 21 17  1  0  0  0  0
 22 24  2  0  0  0  0
 23 15  1  0  0  0  0
 24 18  1  0  0  0  0
 25 11  1  0  0  0  0
 26  6  1  0  0  0  0
 27  7  1  0  0  0  0
 28 23  1  0  0  0  0
 29 25  1  0  0  0  0
 30 26  2  0  0  0  0
 31 27  2  0  0  0  0
  6  7  2  0  0  0  0
 30 31  1  0  0  0  0
 11  4  2  0  0  0  0
 15 10  2  0  0  0  0
M  END
>  <Mol_ID> (5,747)
5747

>  <Formula> (5,747)
C23H19N3O5

>  <MolWeight> (5,747)
417.41406

>  <COMPOUND_NAME> (5,747)
WAY-634855

>  <BAR_CODE_NO> (5,747)
90469319

$$$$
WAY-634912
csChFnd80/06171916332D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.2250    0.2625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2250   -0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9375   -0.9750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9375    0.6750    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.4958    0.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958   -0.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542    0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542   -0.5625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2083    0.2625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9375    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2083   -0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2250    1.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3667    0.6750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2250    2.7375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958   -1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208   -0.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2083   -2.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208   -1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8  7  1  0  0  0  0
  9  5  2  0  0  0  0
 10  4  1  0  0  0  0
 11  9  1  0  0  0  0
 12 10  1  0  0  0  0
 13  7  2  0  0  0  0
 14 12  2  0  0  0  0
 15 12  1  0  0  0  0
 16  6  1  0  0  0  0
 17 11  1  0  0  0  0
 18 16  2  0  0  0  0
 19 17  2  0  0  0  0
 11  6  2  0  0  0  0
  8  3  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (5,748)
5748

>  <Formula> (5,748)
C12H10N4O3

>  <MolWeight> (5,748)
258.2328

>  <COMPOUND_NAME> (5,748)
WAY-634912

>  <BAR_CODE_NO> (5,748)
90469376

$$$$
WAY-634922
csChFnd80/06171916332D

 23 26  0  0  0  0  0  0  0  0999 V2000
   -0.9250   -0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4125   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4125    0.4583    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1375    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1958   -0.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1000   -0.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6167    1.1708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1958    0.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3125    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6167   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4042    0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4042    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1583   -1.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9000   -2.4417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1000    1.2208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9083   -1.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9083    0.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1167    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1167   -0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6250   -0.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6250    0.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8292    0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8292    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  9  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8  3  1  0  0  0  0
  9  6  1  0  0  0  0
 10  4  2  0  0  0  0
 11  7  1  0  0  0  0
 12 10  1  0  0  0  0
 13  2  1  0  0  0  0
 14 13  3  0  0  0  0
 15  9  2  0  0  0  0
 16  5  1  0  0  0  0
 17  8  1  0  0  0  0
 18 11  1  0  0  0  0
 19 12  1  0  0  0  0
 20 16  1  0  0  0  0
 21 17  1  0  0  0  0
 22 18  1  0  0  0  0
 23 19  1  0  0  0  0
  5  8  2  0  0  0  0
 20 21  1  0  0  0  0
 11 12  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (5,749)
5749

>  <Formula> (5,749)
C18H18N2OS2

>  <MolWeight> (5,749)
342.47832

>  <COMPOUND_NAME> (5,749)
WAY-634922

>  <BAR_CODE_NO> (5,749)
90469386

$$$$
WAY-634923
csChFnd80/06171916332D

 27 29  0  0  0  0  0  0  0  0999 V2000
    0.5792    3.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792    2.7208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792    1.0708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917    3.9583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333    3.9583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8500   -1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333    2.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917    2.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333    1.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917    1.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8500   -2.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917   -0.1667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5625   -0.9917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5625   -2.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333   -2.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8500   -3.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5625   -3.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333   -3.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792    5.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8500   -4.7042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333    4.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917    4.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333   -5.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333   -5.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3 11  1  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  2  0  0  0  0
  7 15  1  0  0  0  0
  8  2  1  0  0  0  0
  9  2  1  0  0  0  0
 10  8  1  0  0  0  0
 11  9  1  0  0  0  0
 12  7  1  0  0  0  0
 13  4  1  0  0  0  0
 14  4  2  0  0  0  0
 15 13  1  0  0  0  0
 16  7  2  0  0  0  0
 17 12  2  0  0  0  0
 18 12  1  0  0  0  0
 19 21  1  0  0  0  0
 20 17  1  0  0  0  0
 21 18  2  0  0  0  0
 22 24  2  0  0  0  0
 23 19  1  0  0  0  0
 24  6  1  0  0  0  0
 25  5  2  0  0  0  0
 26 23  1  0  0  0  0
 27 26  1  0  0  0  0
 22 25  1  0  0  0  0
  3 10  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (5,750)
5750

>  <Formula> (5,750)
C20H24N4O3

>  <MolWeight> (5,750)
368.42956

>  <COMPOUND_NAME> (5,750)
WAY-634923

>  <BAR_CODE_NO> (5,750)
90469387

$$$$
WAY-634931
csChFnd80/06171916332D

 12 13  0  0  0  0  0  0  0  0999 V2000
    1.2653   -1.0456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2653   -2.1039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1807   -2.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0943   -2.1039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0943   -1.0456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1807   -0.5182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0116   -0.5182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3497   -0.5182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3252   -3.2557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6515   -4.2629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7099   -4.2629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0362   -3.2557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  1  8  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  9  1  0  0  0  0
  3 12  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (5,751)
5751

>  <Formula> (5,751)
C10H14O2

>  <MolWeight> (5,751)
166.21696

>  <COMPOUND_NAME> (5,751)
WAY-634931

>  <BAR_CODE_NO> (5,751)
90469395

$$$$
WAY-634932
csChFnd80/06171916332D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -0.1890    0.5732    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4650    0.1982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4650   -0.5518    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8460   -0.5518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8460    0.1982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4460   -0.9268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8220    0.3842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9710   -0.9268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5350   -0.9268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9710   -1.6408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4790    1.5092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1360    1.1342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1360    0.3842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4790    0.0092    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8220    1.1342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  5  4  2  0  0  0  0
  5  1  1  0  0  0  0
  4  6  1  0  0  0  0
  2  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
 11 12  1  0  0  0  0
 13 12  2  0  0  0  0
 13 14  1  0  0  0  0
  7 14  2  0  0  0  0
  7 15  1  0  0  0  0
 11 15  2  0  0  0  0
M  END
>  <Mol_ID> (5,752)
5752

>  <Formula> (5,752)
C10H8N2O2S

>  <MolWeight> (5,752)
220.24772

>  <COMPOUND_NAME> (5,752)
WAY-634932

>  <BAR_CODE_NO> (5,752)
90469396

$$$$
WAY-634964
csChFnd80/06171916332D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -0.6458   -1.9750    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.3875   -1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750    1.1708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6875    0.2083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4500   -2.1417    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.9458   -0.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0958   -2.5875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542    1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1083    1.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167   -1.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6667   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542    2.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4 12  1  0  0  0  0
  5  7  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  2  0  0  0  0
  8  1  2  0  0  0  0
  9  3  1  0  0  0  0
 10  3  1  0  0  0  0
 11  2  1  0  0  0  0
 12 11  2  0  0  0  0
 13 10  2  0  0  0  0
 14  9  2  0  0  0  0
  4  5  2  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (5,753)
5753

>  <Formula> (5,753)
C9H7N3O2

>  <MolWeight> (5,753)
189.17078

>  <COMPOUND_NAME> (5,753)
WAY-634964

>  <BAR_CODE_NO> (5,753)
90469430

$$$$
WAY-634984
csChFnd80/06171916332D

 22 25  0  0  0  0  0  0  0  0999 V2000
   -0.0208    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4625    1.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208    1.8125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292   -0.3042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.8083    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8083    1.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208   -0.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0417   -0.4792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458   -1.7250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1375   -0.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8625   -2.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4750   -1.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6542   -0.8167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2875    1.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5917    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917   -1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5208    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5208    1.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000   -1.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2333    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2333    1.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  2  0  0  0  0
  7  4  1  0  0  0  0
  8  4  1  0  0  0  0
  9  7  1  0  0  0  0
 10  7  2  0  0  0  0
 11  9  1  0  0  0  0
 12 10  1  0  0  0  0
 13 19  1  0  0  0  0
 14  2  1  0  0  0  0
 15  8  1  0  0  0  0
 16  8  1  0  0  0  0
 17  5  1  0  0  0  0
 18  6  1  0  0  0  0
 19 16  1  0  0  0  0
 20 15  1  0  0  0  0
 21 17  2  0  0  0  0
 22 21  1  0  0  0  0
  6  3  1  0  0  0  0
 22 18  2  0  0  0  0
 13 20  1  0  0  0  0
 11 12  2  0  0  0  0
M  END
>  <Mol_ID> (5,754)
5754

>  <Formula> (5,754)
C18H20N2OS

>  <MolWeight> (5,754)
312.4292

>  <COMPOUND_NAME> (5,754)
WAY-634984

>  <BAR_CODE_NO> (5,754)
90469451

$$$$
WAY-635072
csChFnd80/06171916332D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.7542   -1.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0250   -0.6750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2417   -0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0250   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708   -1.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2417   -1.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833   -0.3667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5458    0.4333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208    0.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792    0.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7125    1.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833   -1.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3833    1.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9958    1.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3083   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792   -2.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5375    0.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1792    0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0750    1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792    1.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4750    1.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  1  1  0  0  0  0
  4  6  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  2  0  0  0  0
  7  5  1  0  0  0  0
  8  9  1  0  0  0  0
  9 15  1  0  0  0  0
 10  3  1  0  0  0  0
 11  8  1  0  0  0  0
 12  5  2  0  0  0  0
 13  9  2  0  0  0  0
 14 13  1  0  0  0  0
 15  7  1  0  0  0  0
 16  6  1  0  0  0  0
 17 10  1  0  0  0  0
 18 10  2  0  0  0  0
 19 18  1  0  0  0  0
 20 17  2  0  0  0  0
 21 19  2  0  0  0  0
  2  4  1  0  0  0  0
 21 20  1  0  0  0  0
 11 14  2  0  0  0  0
M  END
>  <Mol_ID> (5,755)
5755

>  <Formula> (5,755)
C16H14N2O2S

>  <MolWeight> (5,755)
298.35956

>  <COMPOUND_NAME> (5,755)
WAY-635072

>  <BAR_CODE_NO> (5,755)
90469539

$$$$
WAY-635085
csChFnd80/06171916332D

 23 26  0  0  0  0  0  0  0  0999 V2000
    0.6020    1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6396   -0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2021    0.6875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8230   -0.1750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4187    0.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0062    0.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2145    1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6605   -1.5291    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4188   -0.1208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0062   -0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9145    0.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9145   -0.5666    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9813    1.1584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2271   -0.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7896    0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0313   -0.6541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4229    0.1709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6020    2.0667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4187   -0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2145   -0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2646   -1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2230   -0.5541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4730   -1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  1  0  0  0  0
  4 16  1  0  0  0  0
  5  1  1  0  0  0  0
  6  7  2  0  0  0  0
  7  5  1  0  0  0  0
  8  2  1  0  0  0  0
  9  2  2  0  0  0  0
 10 20  2  0  0  0  0
 11  6  1  0  0  0  0
 12 10  1  0  0  0  0
 13  3  1  0  0  0  0
 14  3  1  0  0  0  0
 15 13  1  0  0  0  0
 16 14  1  0  0  0  0
 17 11  1  0  0  0  0
 18  1  2  0  0  0  0
 19  5  2  0  0  0  0
 20 19  1  0  0  0  0
 21 22  2  0  0  0  0
 22  9  1  0  0  0  0
 23  8  2  0  0  0  0
  4 15  1  0  0  0  0
 10  6  1  0  0  0  0
 17 12  1  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (5,756)
5756

>  <Formula> (5,756)
C16H16N4O3

>  <MolWeight> (5,756)
312.32324

>  <COMPOUND_NAME> (5,756)
WAY-635085

>  <BAR_CODE_NO> (5,756)
90469552

$$$$
WAY-634557
csChFnd80/06171916332D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -3.3083    1.0250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3833   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7958    0.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5208   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3083   -0.3125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3375   -0.0542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5208    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8083   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0500   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3833   -1.2917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4792   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8083    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4792   -1.2917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1917   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1917   -1.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4792    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1917    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  1  2  0  0  0  0
  4  8  2  0  0  0  0
  5 13  1  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8  1  1  0  0  0  0
  9  4  1  0  0  0  0
 10 11  1  0  0  0  0
 11  7  1  0  0  0  0
 12  2  2  0  0  0  0
 13 15  2  0  0  0  0
 14 10  2  0  0  0  0
 15  8  1  0  0  0  0
 16 14  1  0  0  0  0
 17 10  1  0  0  0  0
 18 14  1  0  0  0  0
 19 16  1  0  0  0  0
 20 17  2  0  0  0  0
 21 20  1  0  0  0  0
  4  6  1  0  0  0  0
  5  9  2  0  0  0  0
 21 18  2  0  0  0  0
M  END
>  <Mol_ID> (5,757)
5757

>  <Formula> (5,757)
C16H14N2O2S

>  <MolWeight> (5,757)
298.35956

>  <COMPOUND_NAME> (5,757)
WAY-634557

>  <BAR_CODE_NO> (5,757)
90469015

$$$$
WAY-634605
csChFnd80/06171916332D

 13 14  0  0  0  0  0  0  0  0999 V2000
    0.8792   -0.1875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.1625   -0.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1625    1.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5917   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5500   -0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792    0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5500    0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3042   -0.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5917   -1.4250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708    1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9833   -0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9833    0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  6  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  2  0  0  0  0
  9  4  1  0  0  0  0
 10  5  1  0  0  0  0
 11  7  1  0  0  0  0
 12 10  2  0  0  0  0
 13 11  2  0  0  0  0
  7  5  2  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <Mol_ID> (5,758)
5758

>  <Formula> (5,758)
C9H10N2O2

>  <MolWeight> (5,758)
178.1879

>  <COMPOUND_NAME> (5,758)
WAY-634605

>  <BAR_CODE_NO> (5,758)
90469063

$$$$
WAY-634704
csChFnd80/06171916332D

 22 23  0  0  0  0  0  0  0  0999 V2000
   -0.4875   -1.7042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2917   -1.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9750   -2.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2917   -2.7875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4875   -3.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000    2.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292    3.2958    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9417    3.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1500    1.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458   -0.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5542    3.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9625   -1.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8000   -2.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042    1.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9583    2.0458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458    0.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6167   -0.4792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292    4.5167    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708   -3.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000   -3.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  9  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9 16  1  0  0  0  0
 10  1  1  0  0  0  0
 11  6  2  0  0  0  0
 12 11  1  0  0  0  0
 13 10  1  0  0  0  0
 14  2  2  0  0  0  0
 15  3  2  0  0  0  0
 16 18  1  0  0  0  0
 17  9  2  0  0  0  0
 18 13  1  0  0  0  0
 19 13  2  0  0  0  0
 20  8  1  0  0  0  0
 21  5  1  0  0  0  0
 22  5  1  0  0  0  0
  4  5  1  0  0  0  0
  8 12  2  0  0  0  0
M  END
>  <Mol_ID> (5,759)
5759

>  <Formula> (5,759)
C13H13ClN2O5S

>  <MolWeight> (5,759)
344.77072

>  <COMPOUND_NAME> (5,759)
WAY-634704

>  <BAR_CODE_NO> (5,759)
90469165

$$$$
WAY-634724
csChFnd80/06171916332D

 30 34  0  0  0  0  0  0  0  0999 V2000
   -0.1083   -2.2542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6125    1.4583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1083    1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6125    2.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1083   -1.4292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8208    1.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1083    2.6958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1083    0.2208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3250    2.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8208    2.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4125    3.5208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7167   -2.2542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9333   -2.2542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6125   -1.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8208   -1.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1083   -3.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6125   -0.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8208   -0.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0792    2.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2167    3.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6292    2.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5333    1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5333    2.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8208   -3.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6125   -3.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2458    1.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2458    2.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6125   -4.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8208   -4.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1083   -4.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  4  2  2  0  0  0  0
  5  1  1  0  0  0  0
  6  3  2  0  0  0  0
  7 10  2  0  0  0  0
  8 18  1  0  0  0  0
  9  4  1  0  0  0  0
 10  6  1  0  0  0  0
 11  9  1  0  0  0  0
 12  1  2  0  0  0  0
 13  1  2  0  0  0  0
 14  5  1  0  0  0  0
 15  5  1  0  0  0  0
 16  1  1  0  0  0  0
 17 14  1  0  0  0  0
 18 15  1  0  0  0  0
 19  9  2  0  0  0  0
 20 11  1  0  0  0  0
 21 19  1  0  0  0  0
 22  6  1  0  0  0  0
 23 10  1  0  0  0  0
 24 16  1  0  0  0  0
 25 16  2  0  0  0  0
 26 22  2  0  0  0  0
 27 26  1  0  0  0  0
 28 25  1  0  0  0  0
 29 24  2  0  0  0  0
 30 28  2  0  0  0  0
  8 17  1  0  0  0  0
 30 29  1  0  0  0  0
  7  4  1  0  0  0  0
 27 23  2  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (5,760)
5760

>  <Formula> (5,760)
C22H20N4O2S2

>  <MolWeight> (5,760)
436.5498

>  <COMPOUND_NAME> (5,760)
WAY-634724

>  <BAR_CODE_NO> (5,760)
90469186

$$$$
WAY-635094
csChFnd80/06171916332D

 22 25  0  0  0  0  0  0  0  0999 V2000
    1.5542   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2250   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542   -0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667   -0.0250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9792   -0.0542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9833    1.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4125   -0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7250    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9708   -0.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8375   -1.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083   -0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7958    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3458    0.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7958    0.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667   -1.2917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5500    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9792    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9792   -1.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 14  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  7 10  1  0  0  0  0
  8 12  1  0  0  0  0
  9 11  1  0  0  0  0
 10  2  1  0  0  0  0
 11  2  1  0  0  0  0
 12  2  1  0  0  0  0
 13  3  2  0  0  0  0
 14  5  1  0  0  0  0
 15  9  1  0  0  0  0
 16  8  1  0  0  0  0
 17  8  1  0  0  0  0
 18  4  1  0  0  0  0
 19  1  1  0  0  0  0
 20 22  1  0  0  0  0
 21 18  1  0  0  0  0
 22 19  2  0  0  0  0
 20  6  2  0  0  0  0
 17  7  1  0  0  0  0
  9 16  1  0  0  0  0
 15  7  1  0  0  0  0
M  END
>  <Mol_ID> (5,761)
5761

>  <Formula> (5,761)
C18H24N2OS

>  <MolWeight> (5,761)
316.46096

>  <COMPOUND_NAME> (5,761)
WAY-635094

>  <BAR_CODE_NO> (5,761)
90469565

$$$$
WAY-635109
csChFnd80/06171916332D

 19 22  0  0  0  0  0  0  0  0999 V2000
   -0.8458   -0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5625   -0.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2750   -0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458    0.6833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2750    0.6833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333   -0.5542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042   -0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8958   -0.6917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917   -0.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5625    1.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5583   -1.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333   -1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7917   -0.3917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792   -0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7917    0.9458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2792    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917    1.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5 10  1  0  0  0  0
  6  1  1  0  0  0  0
  7  9  1  0  0  0  0
  8  3  1  0  0  0  0
  9 15  2  0  0  0  0
 10  4  2  0  0  0  0
 11 12  2  0  0  0  0
 12  2  1  0  0  0  0
 13 18  1  0  0  0  0
 14  7  1  0  0  0  0
 15  6  1  0  0  0  0
 16 13  1  0  0  0  0
 17 14  1  0  0  0  0
 18 19  2  0  0  0  0
 19 15  1  0  0  0  0
  5  3  2  0  0  0  0
 11  8  1  0  0  0  0
 13  7  2  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (5,762)
5762

>  <Formula> (5,762)
C13H9N3O2S

>  <MolWeight> (5,762)
271.29446

>  <COMPOUND_NAME> (5,762)
WAY-635109

>  <BAR_CODE_NO> (5,762)
90469580

$$$$
WAY-635114
csChFnd80/06171916332D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -0.2000    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208    0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208    1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000   -0.3167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5125    0.9208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000    2.1583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7000    2.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5125   -0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5125    1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1875    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7000    0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5125   -1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000   -1.9667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2292   -0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2292   -1.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000   -2.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9417   -0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9417   -1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  9  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  1  0  0  0  0
  9  5  2  0  0  0  0
 10 11  2  0  0  0  0
 11  2  1  0  0  0  0
 12  8  2  0  0  0  0
 13 12  1  0  0  0  0
 14  8  1  0  0  0  0
 15 12  1  0  0  0  0
 16 13  1  0  0  0  0
 17 14  2  0  0  0  0
 18 17  1  0  0  0  0
  6  3  2  0  0  0  0
 10  7  1  0  0  0  0
 18 15  2  0  0  0  0
M  END
>  <Mol_ID> (5,763)
5763

>  <Formula> (5,763)
C13H11N3OS

>  <MolWeight> (5,763)
257.31094

>  <COMPOUND_NAME> (5,763)
WAY-635114

>  <BAR_CODE_NO> (5,763)
90469585

$$$$
WAY-635131
csChFnd80/06171916332D

 25 28  0  0  0  0  0  0  0  0999 V2000
    1.1167   -0.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042   -0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167   -1.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292   -0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292   -1.1417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4292   -0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3750    0.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333    0.1708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.1417   -1.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1417   -0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1792    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7583    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5083   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5167    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0875   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1750    0.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7917    0.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3375    1.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5042    0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6708    1.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9333    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5958    0.6208    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.5958   -0.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3458   -1.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0208   -0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  4  1  0  0  0  0
  9  6  1  0  0  0  0
 10  6  1  0  0  0  0
 11  7  1  0  0  0  0
 12 15  1  0  0  0  0
 13 12  1  0  0  0  0
 14 11  1  0  0  0  0
 15  8  1  0  0  0  0
 16 13  1  0  0  0  0
 17 11  2  0  0  0  0
 18 14  1  0  0  0  0
 19 17  1  0  0  0  0
 20 12  2  0  0  0  0
 21 16  2  0  0  0  0
 22 21  1  0  0  0  0
 23 13  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
  3  5  1  0  0  0  0
 10  9  1  0  0  0  0
 18 19  2  0  0  0  0
 25 21  1  0  0  0  0
M  END
>  <Mol_ID> (5,764)
5764

>  <Formula> (5,764)
C18H16ClN3O2S

>  <MolWeight> (5,764)
373.85654

>  <COMPOUND_NAME> (5,764)
WAY-635131

>  <BAR_CODE_NO> (5,764)
90469602

$$$$
WAY-635142
csChFnd80/06171916332D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -0.7375   -0.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208   -0.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208   -1.5542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0875   -0.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000   -0.1750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3250    1.2583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0083   -0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3250   -0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0083   -1.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7375    0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000   -1.6042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000    2.6833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7375    1.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7375   -0.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5625    0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7208   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7208   -1.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3250    2.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0875    1.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5625   -0.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9750   -0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4375   -1.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4375   -0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6 10  1  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  3  1  0  0  0  0
 10  8  2  0  0  0  0
 11  4  2  0  0  0  0
 12 19  1  0  0  0  0
 13  6  1  0  0  0  0
 14  6  1  0  0  0  0
 15  8  1  0  0  0  0
 16 10  1  0  0  0  0
 17  7  1  0  0  0  0
 18  9  1  0  0  0  0
 19 14  1  0  0  0  0
 20 13  1  0  0  0  0
 21 15  2  0  0  0  0
 22 21  1  0  0  0  0
 23 18  2  0  0  0  0
 24 17  2  0  0  0  0
  9  7  2  0  0  0  0
 23 24  1  0  0  0  0
 22 16  2  0  0  0  0
 12 20  1  0  0  0  0
M  END
>  <Mol_ID> (5,765)
5765

>  <Formula> (5,765)
C18H17N3O2S

>  <MolWeight> (5,765)
339.41148

>  <COMPOUND_NAME> (5,765)
WAY-635142

>  <BAR_CODE_NO> (5,765)
90469613

$$$$
WAY-635177
csChFnd80/06171916332D

 28 32  0  0  0  0  0  0  0  0999 V2000
    0.6042    1.2083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1125    0.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042    2.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    1.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1125    2.4458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1125   -0.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1125   -1.6792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167    2.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    2.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4042    3.2708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1125   -2.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042   -0.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -0.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667    2.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2125    3.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6250    2.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -2.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042   -2.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1125   -4.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -3.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042   -3.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5375    0.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1125   -4.9792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5375    2.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2583    1.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2583    2.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7 15  1  0  0  0  0
  8  3  1  0  0  0  0
  9  5  2  0  0  0  0
 10  8  1  0  0  0  0
 11  7  1  0  0  0  0
 12  6  1  0  0  0  0
 13  6  1  0  0  0  0
 14 12  1  0  0  0  0
 15 13  1  0  0  0  0
 16  8  2  0  0  0  0
 17 10  1  0  0  0  0
 18 16  1  0  0  0  0
 19 11  2  0  0  0  0
 20 11  1  0  0  0  0
 21 23  1  0  0  0  0
 22 19  1  0  0  0  0
 23 20  2  0  0  0  0
 24  4  1  0  0  0  0
 25 21  1  0  0  0  0
 26  9  1  0  0  0  0
 27 24  2  0  0  0  0
 28 26  2  0  0  0  0
  4  9  1  0  0  0  0
 17 18  2  0  0  0  0
 14  7  1  0  0  0  0
 27 28  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (5,766)
5766

>  <Formula> (5,766)
C22H20N4OS

>  <MolWeight> (5,766)
388.4854

>  <COMPOUND_NAME> (5,766)
WAY-635177

>  <BAR_CODE_NO> (5,766)
90469649

$$$$
WAY-635181
csChFnd80/06171916332D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -0.3333    2.8208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333    1.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333   -2.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0917    1.9958    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0500   -1.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792    1.5833    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.0500   -3.3667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7625   -2.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333   -2.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7625   -2.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792    0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792    3.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0917    2.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333    0.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792   -3.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792   -1.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0500   -0.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0500    1.5833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4833   -3.3667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333   -0.4792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0500    0.7583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0917   -2.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0917   -2.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042   -3.3667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792    4.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042    3.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0917    4.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042    4.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  9  2  0  0  0  0
  4 13  1  0  0  0  0
  5 17  1  0  0  0  0
  6  2  1  0  0  0  0
  7  8  1  0  0  0  0
  8 10  1  0  0  0  0
  9  5  1  0  0  0  0
 10  5  2  0  0  0  0
 11  6  1  0  0  0  0
 12  1  1  0  0  0  0
 13 12  2  0  0  0  0
 14 11  1  0  0  0  0
 15  3  1  0  0  0  0
 16  9  1  0  0  0  0
 17 20  1  0  0  0  0
 18  2  2  0  0  0  0
 19  8  2  0  0  0  0
 20 14  1  0  0  0  0
 21 14  2  0  0  0  0
 22 23  1  0  0  0  0
 23 16  2  0  0  0  0
 24 22  1  0  0  0  0
 25 12  1  0  0  0  0
 26 13  1  0  0  0  0
 27 25  2  0  0  0  0
 28 27  1  0  0  0  0
  4  6  1  0  0  0  0
 28 26  2  0  0  0  0
  3  7  1  0  0  0  0
 22 15  2  0  0  0  0
M  END
>  <Mol_ID> (5,767)
5767

>  <Formula> (5,767)
C20H15NO6S

>  <MolWeight> (5,767)
397.4012

>  <COMPOUND_NAME> (5,767)
WAY-635181

>  <BAR_CODE_NO> (5,767)
90469653

$$$$
WAY-635191
csChFnd80/06171916332D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -0.7208    1.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208    1.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083    0.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083    2.3583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125    1.1208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083    2.2083    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083   -0.1167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125    1.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9875    1.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083    0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125   -1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083   -1.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4250   -1.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4250   -2.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083   -2.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125   -3.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  5  2  0  0  0  0
  9 10  2  0  0  0  0
 10  1  1  0  0  0  0
 11  7  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 12  1  0  0  0  0
 15 14  1  0  0  0  0
 16 13  1  0  0  0  0
 17 15  1  0  0  0  0
  9  6  1  0  0  0  0
  8  4  1  0  0  0  0
 17 16  1  0  0  0  0
M  END
>  <Mol_ID> (5,768)
5768

>  <Formula> (5,768)
C13H17N3S

>  <MolWeight> (5,768)
247.35918

>  <COMPOUND_NAME> (5,768)
WAY-635191

>  <BAR_CODE_NO> (5,768)
90469664

$$$$
WAY-635237
csChFnd80/06171916332D

 23 26  0  0  0  0  0  0  0  0999 V2000
    0.8042   -0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8042   -0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5167    0.2875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5167   -1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0917    0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2292   -0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2292   -0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6250   -0.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7708    0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0583   -0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7708    1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5583    0.0333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3375    0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5583    1.3708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0375    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5167   -2.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0917    1.1125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0583    1.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3375    1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9500   -1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9500    0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6625   -0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6625   -0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  7  2  0  0  0  0
  7  3  1  0  0  0  0
  8  5  1  0  0  0  0
  9 10  1  0  0  0  0
 10 13  2  0  0  0  0
 11 18  1  0  0  0  0
 12  9  1  0  0  0  0
 13  8  1  0  0  0  0
 14 11  1  0  0  0  0
 15 12  1  0  0  0  0
 16  4  2  0  0  0  0
 17  5  2  0  0  0  0
 18 19  2  0  0  0  0
 19 13  1  0  0  0  0
 20  6  1  0  0  0  0
 21  7  1  0  0  0  0
 22 23  1  0  0  0  0
 23 21  2  0  0  0  0
  6  4  1  0  0  0  0
 22 20  2  0  0  0  0
 11  9  2  0  0  0  0
 15 14  1  0  0  0  0
M  END
>  <Mol_ID> (5,769)
5769

>  <Formula> (5,769)
C17H11NO5

>  <MolWeight> (5,769)
309.27294

>  <COMPOUND_NAME> (5,769)
WAY-635237

>  <BAR_CODE_NO> (5,769)
90469710

$$$$
WAY-635319
csChFnd80/06171916332D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -1.0625    1.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833    1.7083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458    1.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0625    2.3708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8083    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458    2.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3583   -0.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5625    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167   -1.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167   -1.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5625    2.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0625   -0.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6750   -1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792   -2.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2750    1.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2750    2.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1792   -2.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4792   -1.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7375   -2.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  2  0  0  0  0
  7  5  2  0  0  0  0
  8  5  1  0  0  0  0
  9  3  1  0  0  0  0
 10 11  1  0  0  0  0
 11 14  1  0  0  0  0
 12  6  1  0  0  0  0
 13  8  1  0  0  0  0
 14 13  1  0  0  0  0
 15 10  2  0  0  0  0
 16 10  1  0  0  0  0
 17  9  2  0  0  0  0
 18 17  1  0  0  0  0
 19 16  2  0  0  0  0
 20 15  1  0  0  0  0
 21 19  1  0  0  0  0
  6  4  1  0  0  0  0
 18 12  2  0  0  0  0
 21 20  2  0  0  0  0
M  END
>  <Mol_ID> (5,770)
5770

>  <Formula> (5,770)
C16H14N2O3

>  <MolWeight> (5,770)
282.29396

>  <COMPOUND_NAME> (5,770)
WAY-635319

>  <BAR_CODE_NO> (5,770)
90469793

$$$$
WAY-635437
csChFnd80/06171916332D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -1.0500    1.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0500    0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7625    1.9583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4833    0.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4833    1.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7625    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2625    1.7958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2625    0.4583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167    1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917   -0.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083   -0.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0542   -1.2792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1958    1.9583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7625   -0.5250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8542   -1.4542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.3500    0.1208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7625    2.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1958    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1125   -2.2375    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4125   -0.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5625   -2.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9167   -2.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2167   -1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4750   -1.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  7  2  0  0  0  0
 10 11  1  0  0  0  0
 11  8  1  0  0  0  0
 12 10  1  0  0  0  0
 13  5  2  0  0  0  0
 14  6  2  0  0  0  0
 15 12  1  0  0  0  0
 16 10  2  0  0  0  0
 17  3  1  0  0  0  0
 18  4  1  0  0  0  0
 19 15  1  0  0  0  0
 20 15  1  0  0  0  0
 21 19  1  0  0  0  0
 22 19  1  0  0  0  0
 23 20  1  0  0  0  0
 24 23  1  0  0  0  0
  9  8  1  0  0  0  0
  4  6  1  0  0  0  0
 24 22  1  0  0  0  0
M  END
>  <Mol_ID> (5,771)
5771

>  <Formula> (5,771)
C16H23N5O3

>  <MolWeight> (5,771)
333.38552

>  <COMPOUND_NAME> (5,771)
WAY-635437

>  <BAR_CODE_NO> (5,771)
90469914

$$$$
WAY-635461
csChFnd80/06171916332D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -0.2333    1.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2500    2.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1417   -1.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333    2.8833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208    1.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8917   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167    0.7583    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.0792   -0.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292    0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208    2.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333    0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9500   -1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6333   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1875   -1.6917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417    0.2458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2750   -0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3375    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8333   -1.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8958   -0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5042   -0.7125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.5917   -1.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    1.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9333   -2.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9958   -1.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    3.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2042   -2.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8417   -2.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    1.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    2.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6542   -2.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  6  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  8  1  0  0  0  0
  7  1  1  0  0  0  0
  8  9  1  0  0  0  0
  9  7  1  0  0  0  0
 10  5  2  0  0  0  0
 11  7  1  0  0  0  0
 12  3  2  0  0  0  0
 13 19  2  0  0  0  0
 14 13  1  0  0  0  0
 15  6  2  0  0  0  0
 16 11  1  0  0  0  0
 17 11  2  0  0  0  0
 18 16  2  0  0  0  0
 19 17  1  0  0  0  0
 20 12  1  0  0  0  0
 21  3  1  0  0  0  0
 22  5  1  0  0  0  0
 23 14  1  0  0  0  0
 24 14  1  0  0  0  0
 25 10  1  0  0  0  0
 26 12  1  0  0  0  0
 27 21  2  0  0  0  0
 28 22  2  0  0  0  0
 29 28  1  0  0  0  0
 30 27  1  0  0  0  0
 10  4  1  0  0  0  0
 18 13  1  0  0  0  0
 29 25  2  0  0  0  0
 30 26  2  0  0  0  0
M  END
>  <Mol_ID> (5,772)
5772

>  <Formula> (5,772)
C25H24BrN3O

>  <MolWeight> (5,772)
462.38156

>  <COMPOUND_NAME> (5,772)
WAY-635461

>  <BAR_CODE_NO> (5,772)
90469938

$$$$
WAY-635605
csChFnd80/06171916332D

 21 24  0  0  0  0  0  0  0  0999 V2000
    1.5375    1.0083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0500    1.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458   -0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917    0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042    0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2917   -0.7292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208   -0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833   -1.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3333   -1.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5375    2.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375    1.7875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9875    0.7708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0583   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4458   -0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7708   -1.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1250    0.6208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0458   -1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8500   -1.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2833   -1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  7  5  1  0  0  0  0
  8 15  1  0  0  0  0
  9 17  1  0  0  0  0
 10 16  1  0  0  0  0
 11  2  1  0  0  0  0
 12  3  1  0  0  0  0
 13  3  2  0  0  0  0
 14  2  2  0  0  0  0
 15  4  1  0  0  0  0
 16  4  1  0  0  0  0
 17  4  1  0  0  0  0
 18  5  2  0  0  0  0
 19 10  1  0  0  0  0
 20  9  1  0  0  0  0
 21  9  1  0  0  0  0
 12 11  1  0  0  0  0
 21  8  1  0  0  0  0
 10 20  1  0  0  0  0
 19  8  1  0  0  0  0
M  END
>  <Mol_ID> (5,773)
5773

>  <Formula> (5,773)
C16H22N2O3

>  <MolWeight> (5,773)
290.35748

>  <COMPOUND_NAME> (5,773)
WAY-635605

>  <BAR_CODE_NO> (5,773)
90470082

$$$$
WAY-635625
csChFnd80/06171916332D

 31 34  0  0  0  0  0  0  0  0999 V2000
   -1.5708    0.9583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583    1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583    2.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2833    1.3708    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.1458    0.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2833    2.1958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1417   -2.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5750   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5708    2.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4292   -2.7542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5750   -0.2792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458    2.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5750    1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2875   -1.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5750    2.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8625   -2.7542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458   -1.5167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    0.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2875   -2.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1417   -1.5167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7167   -2.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2875    2.6083    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.7167   -1.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042   -2.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7125    1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7125   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4333    0.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4333    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  2  0  0  0  0
  6  4  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9  6  1  0  0  0  0
 10 23  1  0  0  0  0
 11 15  1  0  0  0  0
 12  3  2  0  0  0  0
 13  5  1  0  0  0  0
 14  8  1  0  0  0  0
 15  5  1  0  0  0  0
 16 13  2  0  0  0  0
 17  7  2  0  0  0  0
 18  8  2  0  0  0  0
 19  4  1  0  0  0  0
 20 14  2  0  0  0  0
 21 14  1  0  0  0  0
 22  7  1  0  0  0  0
 23 25  1  0  0  0  0
 24 16  1  0  0  0  0
 25 21  2  0  0  0  0
 26 20  1  0  0  0  0
 27 19  1  0  0  0  0
 28 19  2  0  0  0  0
 29 28  1  0  0  0  0
 30 27  2  0  0  0  0
 31 29  2  0  0  0  0
  9  3  1  0  0  0  0
 16 12  1  0  0  0  0
 31 30  1  0  0  0  0
 23 26  2  0  0  0  0
M  END
>  <Mol_ID> (5,774)
5774

>  <Formula> (5,774)
C23H19FN2O5

>  <MolWeight> (5,774)
422.4057632

>  <COMPOUND_NAME> (5,774)
WAY-635625

>  <BAR_CODE_NO> (5,774)
90470102

$$$$
WAY-635664
csChFnd80/06171916332D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -1.0125   -0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000   -0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333   -0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0125    0.5500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.4458    0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458   -0.2750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    0.9625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167   -0.2750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1292   -0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000   -1.5125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    0.9625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000    0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8417   -0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1292    1.7875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333   -1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8417    0.5500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.1292   -1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167    2.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1292    0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000    1.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167    0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5542   -0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8417   -1.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5542   -1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  7  1  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8  2  1  0  0  0  0
  9  8  1  0  0  0  0
 10  2  2  0  0  0  0
 11  5  2  0  0  0  0
 12  4  1  0  0  0  0
 13  9  2  0  0  0  0
 14 19  1  0  0  0  0
 15  3  1  0  0  0  0
 16 13  1  0  0  0  0
 17  9  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 12  2  0  0  0  0
 21 12  1  0  0  0  0
 22 13  1  0  0  0  0
 23 17  2  0  0  0  0
 24 23  1  0  0  0  0
  6  5  1  0  0  0  0
 14 18  2  0  0  0  0
 24 22  2  0  0  0  0
M  END
>  <Mol_ID> (5,775)
5775

>  <Formula> (5,775)
C17H15ClN4O2

>  <MolWeight> (5,775)
342.7796

>  <COMPOUND_NAME> (5,775)
WAY-635664

>  <BAR_CODE_NO> (5,775)
90470141

$$$$
WAY-635703
csChFnd80/06171916332D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -0.5375    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2583    0.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5375   -0.3292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2583    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1750   -0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1750    0.9083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5375    2.1458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0375    1.9875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1750   -1.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1750    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5208    1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0375    0.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8917   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042   -0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8917   -1.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042   -1.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8917    0.4958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8917   -2.8042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042    0.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042   -3.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7 10  1  0  0  0  0
  8  4  1  0  0  0  0
  9  5  1  0  0  0  0
 10  6  2  0  0  0  0
 11 12  2  0  0  0  0
 12  2  1  0  0  0  0
 13  5  2  0  0  0  0
 14 13  1  0  0  0  0
 15  9  2  0  0  0  0
 16 14  2  0  0  0  0
 17 13  1  0  0  0  0
 18 15  1  0  0  0  0
 19 17  1  0  0  0  0
 20 18  1  0  0  0  0
  7  4  2  0  0  0  0
 11  8  1  0  0  0  0
 16 15  1  0  0  0  0
M  END
>  <Mol_ID> (5,776)
5776

>  <Formula> (5,776)
C14H13N3O2S

>  <MolWeight> (5,776)
287.33692

>  <COMPOUND_NAME> (5,776)
WAY-635703

>  <BAR_CODE_NO> (5,776)
90470180

$$$$
WAY-635755
csChFnd80/06171916332D

 34 38  0  0  0  0  0  0  0  0999 V2000
    0.7792   -0.7625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292   -1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4083    0.5583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0250   -1.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4083    1.3833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167   -2.0875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1208    0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1125   -1.9167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1208    1.7958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8333    0.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9500    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6875   -0.6792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6875    0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1542   -1.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8333    1.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1208   -0.6792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7375    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3375    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3042   -0.4500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4875   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5458    0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6375   -1.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917    1.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7917   -1.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9042    1.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042    1.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5458    1.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3500   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458    0.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4542   -1.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2583    0.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1292    0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0583    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2583    1.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3 13  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  2  0  0  0  0
  7  3  1  0  0  0  0
  8  4  2  0  0  0  0
  9  5  2  0  0  0  0
 10  7  1  0  0  0  0
 11  1  1  0  0  0  0
 12  4  1  0  0  0  0
 13 12  1  0  0  0  0
 14  2  1  0  0  0  0
 15 10  2  0  0  0  0
 16  7  2  0  0  0  0
 17 11  2  0  0  0  0
 18 11  1  0  0  0  0
 19 20  1  0  0  0  0
 20 14  2  0  0  0  0
 21 10  1  0  0  0  0
 22 14  1  0  0  0  0
 23 26  1  0  0  0  0
 24 30  1  0  0  0  0
 25 17  1  0  0  0  0
 26 18  2  0  0  0  0
 27 15  1  0  0  0  0
 28 17  1  0  0  0  0
 29 18  1  0  0  0  0
 30 22  2  0  0  0  0
 31 21  2  0  0  0  0
 32 28  1  0  0  0  0
 33 29  1  0  0  0  0
 34 31  1  0  0  0  0
  6  8  1  0  0  0  0
 23 25  2  0  0  0  0
 24 19  2  0  0  0  0
 15  9  1  0  0  0  0
 34 27  2  0  0  0  0
M  END
>  <Mol_ID> (5,777)
5777

>  <Formula> (5,777)
C25H23N7OS

>  <MolWeight> (5,777)
469.56142

>  <COMPOUND_NAME> (5,777)
WAY-635755

>  <BAR_CODE_NO> (5,777)
90470233

$$$$
WAY-635764
csChFnd80/06171916332D

 31 33  0  0  0  0  0  0  0  0999 V2000
   -0.0125   -1.4292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667   -1.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000   -2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0125   -2.7667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.7667   -2.5125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708   -0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8208   -2.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0750   -3.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5375   -3.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3250    2.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4375   -1.2042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792    2.7583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3250   -2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4375    4.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6250    3.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833    3.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1125    5.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0917   -0.2042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833    2.3208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792   -4.1667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.5250   -4.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167    4.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792    1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1750    4.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8958   -3.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7958   -4.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2458    4.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458    5.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8375   -4.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8  6  1  0  0  0  0
  9  7  1  0  0  0  0
 10  4  1  0  0  0  0
 11 25  1  0  0  0  0
 12  2  2  0  0  0  0
 13 11  1  0  0  0  0
 14  3  2  0  0  0  0
 15 17  1  0  0  0  0
 16 13  1  0  0  0  0
 17 16  2  0  0  0  0
 18 24  1  0  0  0  0
 19  8  2  0  0  0  0
 20 11  2  0  0  0  0
 21  8  1  0  0  0  0
 22 10  1  0  0  0  0
 23 22  1  0  0  0  0
 24 26  2  0  0  0  0
 25 21  1  0  0  0  0
 26 16  1  0  0  0  0
 27  9  1  0  0  0  0
 28  9  1  0  0  0  0
 29 15  1  0  0  0  0
 30 18  1  0  0  0  0
 31 22  1  0  0  0  0
  5  4  1  0  0  0  0
 23  9  1  0  0  0  0
 18 15  2  0  0  0  0
M  END
>  <Mol_ID> (5,778)
5778

>  <Formula> (5,778)
C23H31N3O5

>  <MolWeight> (5,778)
429.50934

>  <COMPOUND_NAME> (5,778)
WAY-635764

>  <BAR_CODE_NO> (5,778)
90470242

$$$$
WAY-635767
csChFnd80/06171916332D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -0.4833   -1.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833   -0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3000   -0.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3000   -1.4542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7875   -0.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8500   -0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1500    0.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5625    0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5625   -0.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0250   -0.0792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6125   -0.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0708    0.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4875    1.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5708    0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    1.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    1.5583    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6 10  1  0  0  0  0
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9  6  1  0  0  0  0
 10 11  1  0  0  0  0
 11  5  1  0  0  0  0
 12  7  1  0  0  0  0
 13  7  2  0  0  0  0
 14 16  2  0  0  0  0
 15 12  2  0  0  0  0
 16 13  1  0  0  0  0
 17 14  1  0  0  0  0
  3  5  1  0  0  0  0
 15 14  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <Mol_ID> (5,779)
5779

>  <Formula> (5,779)
C12H12ClN3O

>  <MolWeight> (5,779)
249.69618

>  <COMPOUND_NAME> (5,779)
WAY-635767

>  <BAR_CODE_NO> (5,779)
90470245

$$$$
WAY-635768
csChFnd80/06171916332D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -0.4439   -0.4667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4439    0.9574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7871   -1.1840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6853   -1.1840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7871    1.6746    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6853    1.6746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0319   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1095   -1.0254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5439   -2.6116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0319    0.9574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2733    1.6746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  2  0  0  0  0
  7 10  1  0  0  0  0
M  END
>  <Mol_ID> (5,780)
5780

>  <Formula> (5,780)
C7H12N2O2

>  <MolWeight> (5,780)
156.18238

>  <COMPOUND_NAME> (5,780)
WAY-635768

>  <BAR_CODE_NO> (5,780)
90470246

$$$$
WAY-635779
csChFnd80/06171916332D

 19 21  0  0  0  0  0  0  0  0999 V2000
    1.0875    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3458    0.2458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0875   -0.5792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750    0.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0583    0.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0875   -2.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042    0.6583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750    1.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042   -1.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750   -1.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0875   -3.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0583    1.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3458    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7708    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7708    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4833    0.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4833    1.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  3  1  0  0  0  0
  8 12  1  0  0  0  0
  9  1  2  0  0  0  0
 10  4  1  0  0  0  0
 11  6  1  0  0  0  0
 12  7  1  0  0  0  0
 13  8  2  0  0  0  0
 14 15  1  0  0  0  0
 15 10  2  0  0  0  0
 16  5  1  0  0  0  0
 17 14  1  0  0  0  0
 18 16  2  0  0  0  0
 19 17  2  0  0  0  0
  8 11  1  0  0  0  0
 14  5  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (5,781)
5781

>  <Formula> (5,781)
C15H14N2O2

>  <MolWeight> (5,781)
254.28386

>  <COMPOUND_NAME> (5,781)
WAY-635779

>  <BAR_CODE_NO> (5,781)
90470257

$$$$
WAY-635814
csChFnd80/06171916332D

 32 36  0  0  0  0  0  0  0  0999 V2000
    1.7625    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0417   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0417   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7625   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7625    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.1917    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9583    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8125   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2458   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9583    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3833   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2458    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5250    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1917    0.8250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.1917   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0417    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7625   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7375   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2250    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7375    1.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1917   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0417    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7625    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  2  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  3  2  0  0  0  0
 10 18  1  0  0  0  0
 11 15  1  0  0  0  0
 12 10  1  0  0  0  0
 13  7  2  0  0  0  0
 14 12  1  0  0  0  0
 15 14  2  0  0  0  0
 16 19  1  0  0  0  0
 17 10  2  0  0  0  0
 18  8  1  0  0  0  0
 19 20  2  0  0  0  0
 20 14  1  0  0  0  0
 21 13  1  0  0  0  0
 22  5  1  0  0  0  0
 23  7  1  0  0  0  0
 24  6  1  0  0  0  0
 25 11  1  0  0  0  0
 26 25  1  0  0  0  0
 27 16  1  0  0  0  0
 28 13  1  0  0  0  0
 29 22  2  0  0  0  0
 30 23  2  0  0  0  0
 31 29  1  0  0  0  0
 32 30  1  0  0  0  0
  6  4  1  0  0  0  0
 32 28  2  0  0  0  0
 31 24  2  0  0  0  0
 16 11  2  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (5,782)
5782

>  <Formula> (5,782)
C25H20FN3O2S

>  <MolWeight> (5,782)
445.5086032

>  <COMPOUND_NAME> (5,782)
WAY-635814

>  <BAR_CODE_NO> (5,782)
90470292

$$$$
WAY-635831-A
csChFnd80/06171916332D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -0.9835    1.0395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2421    1.0395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4145    0.4430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4179    1.6395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1269    0.3947    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1269    1.6809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1214    0.6740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1214    1.4154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2386   -0.2363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8648    0.3947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7628    0.3051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7628    1.7844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1234   -0.8777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2338   -0.2432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4042    0.6775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4042    1.4154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8648   -0.8777    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2338   -1.5225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9752   -1.5225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3476   -0.8846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3476   -2.1639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0855   -0.8880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0855   -2.1639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4579   -1.5225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12 16  2  0  0  0  0
 13 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
  7  8  2  0  0  0  0
 14 17  1  0  0  0  0
 15 16  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (5,783)
5783

>  <Formula> (5,783)
C20H20N2O2

>  <MolWeight> (5,783)
320.385

>  <COMPOUND_NAME> (5,783)
WAY-635831-A

>  <BAR_CODE_NO> (5,783)
90470310

$$$$
WAY-635910
csChFnd80/06171916332D

 30 34  0  0  0  0  0  0  0  0999 V2000
    1.3750   -1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4625   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292   -1.3792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667   -0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6625   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6792   -0.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8500    0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9083   -1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583   -1.0417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9083   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6958   -1.2917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6958    0.0375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1833   -0.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6625   -2.2792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1958   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0167    1.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1958    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4833   -1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7708   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4833   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042    1.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6792    0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5042   -0.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792    2.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750    1.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5042    0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9167   -0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958    1.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333    3.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8208    2.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8 15  1  0  0  0  0
  9  5  1  0  0  0  0
 10 17  1  0  0  0  0
 11  8  1  0  0  0  0
 12 10  1  0  0  0  0
 13 11  1  0  0  0  0
 14  5  2  0  0  0  0
 15 18  2  0  0  0  0
 16  7  1  0  0  0  0
 17 20  2  0  0  0  0
 18 19  1  0  0  0  0
 19  9  1  0  0  0  0
 20 18  1  0  0  0  0
 21 16  1  0  0  0  0
 22  4  1  0  0  0  0
 23  6  1  0  0  0  0
 24 21  1  0  0  0  0
 25 21  2  0  0  0  0
 26 22  2  0  0  0  0
 27 23  2  0  0  0  0
 28 25  1  0  0  0  0
 29 24  2  0  0  0  0
 30 28  2  0  0  0  0
  4  6  2  0  0  0  0
 26 27  1  0  0  0  0
 10  8  2  0  0  0  0
 30 29  1  0  0  0  0
 13 12  1  0  0  0  0
M  END
>  <Mol_ID> (5,784)
5784

>  <Formula> (5,784)
C24H19NO5

>  <MolWeight> (5,784)
401.41136

>  <COMPOUND_NAME> (5,784)
WAY-635910

>  <BAR_CODE_NO> (5,784)
90470389

$$$$
WAY-635925
csChFnd80/06171916332D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -2.5333    0.2750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5333    1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8208   -0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8208    1.5125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083    0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083    1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3208    1.3583    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3208    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3250    1.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8083    0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8208   -0.9625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958    1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3250    0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0375    1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4667   -0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542    0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4667   -0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542    1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0375   -0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542   -1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1792   -1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1792   -2.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542   -2.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4667   -2.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  2  0  0  0  0
  7  2  1  0  0  0  0
  8  1  1  0  0  0  0
  9 12  1  0  0  0  0
 10  8  2  0  0  0  0
 11  3  2  0  0  0  0
 12  6  1  0  0  0  0
 13  9  1  0  0  0  0
 14  9  1  0  0  0  0
 15 16  1  0  0  0  0
 16 18  1  0  0  0  0
 17 15  1  0  0  0  0
 18 14  1  0  0  0  0
 19 13  1  0  0  0  0
 20 17  1  0  0  0  0
 21 17  2  0  0  0  0
 22 21  1  0  0  0  0
 23 20  2  0  0  0  0
 24 22  2  0  0  0  0
 10  7  1  0  0  0  0
  6  4  1  0  0  0  0
 16 19  1  0  0  0  0
 24 23  1  0  0  0  0
M  END
>  <Mol_ID> (5,785)
5785

>  <Formula> (5,785)
C19H21N3OS

>  <MolWeight> (5,785)
339.45454

>  <COMPOUND_NAME> (5,785)
WAY-635925

>  <BAR_CODE_NO> (5,785)
90470404

$$$$
WAY-635941
csChFnd80/06171916332D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -1.8083   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0875   -1.0875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8083    0.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0875   -0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5208   -1.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5208   -0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4792    0.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4792    0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667    1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750    0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3417   -0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0542    0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8083   -2.3250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0542    0.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667   -0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000    1.3875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667    2.2125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000   -0.2625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2333   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2333    0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9125    0.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000   -1.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0542    2.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9458   -1.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9458   -0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  6  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  2  0  0  0  0
  7  8  1  0  0  0  0
  8 15  2  0  0  0  0
  9 14  1  0  0  0  0
 10  4  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13  1  2  0  0  0  0
 14 12  2  0  0  0  0
 15 12  1  0  0  0  0
 16  7  1  0  0  0  0
 17  9  1  0  0  0  0
 18  8  1  0  0  0  0
 19  5  1  0  0  0  0
 20  6  1  0  0  0  0
 21 16  1  0  0  0  0
 22 18  1  0  0  0  0
 23 17  1  0  0  0  0
 24 19  2  0  0  0  0
 25 24  1  0  0  0  0
  3  4  2  0  0  0  0
 25 20  2  0  0  0  0
  7  9  2  0  0  0  0
M  END
>  <Mol_ID> (5,786)
5786

>  <Formula> (5,786)
C19H18N2O4

>  <MolWeight> (5,786)
338.35722

>  <COMPOUND_NAME> (5,786)
WAY-635941

>  <BAR_CODE_NO> (5,786)
90470420

$$$$
WAY-636016
csChFnd80/06171916332D

 22 25  0  0  0  0  0  0  0  0999 V2000
    0.5750    0.1833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5750    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583    0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458    1.4208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458   -1.0542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2875    1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3750    2.2458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458   -2.7042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0417    1.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5750   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1792    2.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5917    1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583   -2.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5750   -2.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5708   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458   -3.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5708    1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2833    0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2833    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  5  2  0  0  0  0
  9  7  1  0  0  0  0
 10 17  1  0  0  0  0
 11  7  2  0  0  0  0
 12  6  1  0  0  0  0
 13  6  1  0  0  0  0
 14  9  1  0  0  0  0
 15 11  1  0  0  0  0
 16 12  1  0  0  0  0
 17 13  1  0  0  0  0
 18  4  1  0  0  0  0
 19 10  1  0  0  0  0
 20  8  1  0  0  0  0
 21 18  2  0  0  0  0
 22 20  2  0  0  0  0
  4  8  1  0  0  0  0
 14 15  2  0  0  0  0
 10 16  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (5,787)
5787

>  <Formula> (5,787)
C17H18N4S

>  <MolWeight> (5,787)
310.41662

>  <COMPOUND_NAME> (5,787)
WAY-636016

>  <BAR_CODE_NO> (5,787)
90470495

$$$$
WAY-636030
csChFnd80/06171916332D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -0.9759    0.5513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9655   -0.2728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4517    0.5617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6897    0.9548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2483   -0.6832    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6724   -0.6935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4586   -0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0310    1.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000    0.5410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6966    1.7858    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3931   -0.2866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1655   -0.6728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8793   -0.2556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1621   -1.4970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5897   -0.6694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3034   -0.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
  5  7  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <Mol_ID> (5,788)
5788

>  <Formula> (5,788)
C12H15NO3

>  <MolWeight> (5,788)
221.2524

>  <COMPOUND_NAME> (5,788)
WAY-636030

>  <BAR_CODE_NO> (5,788)
90470509

$$$$
WAY-636031
csChFnd80/06171916332D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.1708   -1.2167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2125    0.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4250   -2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917    1.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0875   -0.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4708    0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7625    1.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8500    1.9208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9583   -0.9625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6167   -1.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417    0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8917   -0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5708    1.4083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9333   -3.5667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2333   -2.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292   -2.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083    2.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667    2.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6292    2.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333   -3.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4875   -2.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6292    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8500    3.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  6  1  0  0  0  0
  3  1  1  0  0  0  0
  4 11  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  2  0  0  0  0
  7  2  1  0  0  0  0
  8  4  1  0  0  0  0
  9  1  2  0  0  0  0
 10  1  2  0  0  0  0
 11 12  2  0  0  0  0
 12  5  1  0  0  0  0
 13  7  2  0  0  0  0
 14 20  1  0  0  0  0
 15  3  1  0  0  0  0
 16  3  1  0  0  0  0
 17  7  1  0  0  0  0
 18  8  1  0  0  0  0
 19  8  1  0  0  0  0
 20 16  1  0  0  0  0
 21 15  1  0  0  0  0
 22 19  1  0  0  0  0
 23 18  1  0  0  0  0
 14 21  1  0  0  0  0
  4  2  2  0  0  0  0
 23 22  1  0  0  0  0
M  END
>  <Mol_ID> (5,789)
5789

>  <Formula> (5,789)
C15H20N2O5S

>  <MolWeight> (5,789)
340.3947

>  <COMPOUND_NAME> (5,789)
WAY-636031

>  <BAR_CODE_NO> (5,789)
90470510

$$$$
WAY-636043
csChFnd80/06171916332D

 10 11  0  0  0  0  0  0  0  0999 V2000
   -0.1333    0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542    1.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1250   -0.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9125    0.6500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9125    1.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583   -1.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042   -0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1250   -1.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  3  1  0  0  0  0
  8  3  1  0  0  0  0
  9  7  1  0  0  0  0
 10  8  1  0  0  0  0
  6  5  2  0  0  0  0
 10  9  1  0  0  0  0
M  END
>  <Mol_ID> (5,790)
5790

>  <Formula> (5,790)
C7H10N2S

>  <MolWeight> (5,790)
154.2327

>  <COMPOUND_NAME> (5,790)
WAY-636043

>  <BAR_CODE_NO> (5,790)
90470524

$$$$
WAY-636045
csChFnd80/06171916332D

 24 28  0  0  0  0  0  0  0  0999 V2000
   -0.8458   -0.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3250   -1.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3250   -0.2792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1083   -1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208   -0.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1083   -0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042    0.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3500   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1792   -0.3417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0708   -2.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8167    1.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6792    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4750    1.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4292    0.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4042    0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1250    1.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458    0.5083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6917    0.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167    1.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417    1.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8250   -1.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8250   -0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5375   -1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5375   -0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  9  1  0  0  0  0
  8  5  1  0  0  0  0
  9  8  1  0  0  0  0
 10  2  2  0  0  0  0
 11 14  1  0  0  0  0
 12 16  1  0  0  0  0
 13 15  1  0  0  0  0
 14  7  1  0  0  0  0
 15  7  1  0  0  0  0
 16  7  1  0  0  0  0
 17  8  2  0  0  0  0
 18 13  1  0  0  0  0
 19 12  1  0  0  0  0
 20 12  1  0  0  0  0
 21  4  1  0  0  0  0
 22  6  1  0  0  0  0
 23 21  2  0  0  0  0
 24 22  2  0  0  0  0
  4  6  2  0  0  0  0
 23 24  1  0  0  0  0
 20 11  1  0  0  0  0
 13 19  1  0  0  0  0
 18 11  1  0  0  0  0
M  END
>  <Mol_ID> (5,791)
5791

>  <Formula> (5,791)
C19H22N2O2S

>  <MolWeight> (5,791)
342.45518

>  <COMPOUND_NAME> (5,791)
WAY-636045

>  <BAR_CODE_NO> (5,791)
90470526

$$$$
WAY-636099
csChFnd80/06171916332D

 26 28  0  0  0  0  0  0  0  0999 V2000
    0.1417   -2.4167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4500    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958    1.1625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042   -0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000   -1.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5750    2.5833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1583   -1.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5708    1.6875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1625    0.7208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1125   -3.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2958    2.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6458   -2.1625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292   -2.6667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083    2.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542   -0.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2583    0.2083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042   -1.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9417    0.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792    1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417   -3.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208   -3.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7125    2.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9417    1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1625    2.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  9  1  0  0  0  0
  3  5  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6 17  1  0  0  0  0
  7  1  1  0  0  0  0
  8  3  2  0  0  0  0
  9  7  2  0  0  0  0
 10  3  1  0  0  0  0
 11  6  1  0  0  0  0
 12  1  1  0  0  0  0
 13  8  1  0  0  0  0
 14  1  2  0  0  0  0
 15  1  2  0  0  0  0
 16 10  1  0  0  0  0
 17 19  2  0  0  0  0
 18  4  2  0  0  0  0
 19  7  1  0  0  0  0
 20 11  1  0  0  0  0
 21 11  1  0  0  0  0
 22 12  1  0  0  0  0
 23 12  1  0  0  0  0
 24 16  1  0  0  0  0
 25 20  1  0  0  0  0
 26 21  1  0  0  0  0
  6  2  2  0  0  0  0
 26 25  1  0  0  0  0
 16 13  2  0  0  0  0
M  END
>  <Mol_ID> (5,792)
5792

>  <Formula> (5,792)
C17H22N4O3S2

>  <MolWeight> (5,792)
394.51158

>  <COMPOUND_NAME> (5,792)
WAY-636099

>  <BAR_CODE_NO> (5,792)
90470580

$$$$
WAY-636153
csChFnd80/06171916332D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -0.2125    1.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667    2.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2125    2.9708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417    0.8500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.9042   -0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042   -0.1042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000    2.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1667   -1.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5125    0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6208   -0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708   -1.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4625    0.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208    0.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2583   -0.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8708   -0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8083   -1.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9667   -1.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6125   -1.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6750   -2.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8667   -2.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2250   -2.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9292   -3.4167    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7125    1.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9750   -1.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9125   -2.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7125    3.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4333    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4333    2.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  5  1  0  0  0  0
  9  4  2  0  0  0  0
 10  6  1  0  0  0  0
 11  5  1  0  0  0  0
 12 18  1  0  0  0  0
 13 12  1  0  0  0  0
 14  6  2  0  0  0  0
 15 11  2  0  0  0  0
 16 11  1  0  0  0  0
 17 15  1  0  0  0  0
 18 16  2  0  0  0  0
 19 10  2  0  0  0  0
 20 10  1  0  0  0  0
 21 22  1  0  0  0  0
 22 20  2  0  0  0  0
 23 19  1  0  0  0  0
 24 21  1  0  0  0  0
 25  4  1  0  0  0  0
 26 13  1  0  0  0  0
 27 13  1  0  0  0  0
 28  9  1  0  0  0  0
 29 25  2  0  0  0  0
 30 29  1  0  0  0  0
  9  3  1  0  0  0  0
 12 17  2  0  0  0  0
 30 28  2  0  0  0  0
 21 23  2  0  0  0  0
M  END
>  <Mol_ID> (5,793)
5793

>  <Formula> (5,793)
C25H24FN3O

>  <MolWeight> (5,793)
401.4759632

>  <COMPOUND_NAME> (5,793)
WAY-636153

>  <BAR_CODE_NO> (5,793)
90470635

$$$$
WAY-636173
csChFnd80/06171916332D

 23 25  0  0  0  0  0  0  0  0999 V2000
    1.3727   -0.1164    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9900   -0.4785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3762    0.5974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7486   -0.4682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9934   -1.1889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6106   -0.1233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7555    0.9629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1348   -0.1026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6072   -1.5509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2348   -0.4820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1382    0.6042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2313   -1.1923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6037   -2.2682    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.4756    0.9663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0997    0.6077    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7204    0.9663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3411    0.6146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7204    1.6870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9618    0.9732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3445   -0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5825    0.6284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9652   -0.4509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5859   -0.0889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 13  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 17 20  2  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  2  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (5,794)
5794

>  <Formula> (5,794)
C18H20ClN3O

>  <MolWeight> (5,794)
329.8239

>  <COMPOUND_NAME> (5,794)
WAY-636173

>  <BAR_CODE_NO> (5,794)
90470655

$$$$
WAY-636231
csChFnd80/06171916332D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -1.4958   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9750   -1.7667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9750   -0.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7583   -1.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7583   -0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042    0.3250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792    0.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2583   -0.3875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2167    1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2583   -1.8167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0417    1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667    1.0458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667   -0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4542    0.3250    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.5458   -1.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5458   -0.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0333   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042    1.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4542    1.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2167    2.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0417    2.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  8  1  0  0  0  0
  8 14  1  0  0  0  0
  9  6  1  0  0  0  0
 10  7  1  0  0  0  0
 11  6  2  0  0  0  0
 12 10  2  0  0  0  0
 13  8  2  0  0  0  0
 14  9  1  0  0  0  0
 15 12  1  0  0  0  0
 16  4  1  0  0  0  0
 17  5  1  0  0  0  0
 18 17  1  0  0  0  0
 19 10  1  0  0  0  0
 20 12  1  0  0  0  0
 21 19  2  0  0  0  0
 22 21  1  0  0  0  0
  4  5  2  0  0  0  0
 18 16  1  0  0  0  0
 22 20  2  0  0  0  0
M  END
>  <Mol_ID> (5,795)
5795

>  <Formula> (5,795)
C16H15BrN2O2S

>  <MolWeight> (5,795)
379.2715

>  <COMPOUND_NAME> (5,795)
WAY-636231

>  <BAR_CODE_NO> (5,795)
90470713

$$$$
WAY-636254
csChFnd80/06171916332D

 20 21  0  0  0  0  0  0  0  0999 V2000
    0.4667    2.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0750    0.8208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7417    0.7333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458    1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792    1.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542    2.8583    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.6708   -1.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1583   -2.6417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6250    0.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9250   -1.1917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167   -2.2292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708   -3.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167   -3.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042    3.1958    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.1125    3.3458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4375   -0.7542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8875    1.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9250   -4.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  5  2  0  0  0  0
  4  1  2  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7 10  1  0  0  0  0
  8  7  2  0  0  0  0
  9  2  1  0  0  0  0
 10 11  1  0  0  0  0
 11  9  1  0  0  0  0
 12  7  1  0  0  0  0
 13  8  1  0  0  0  0
 14 12  1  0  0  0  0
 15  6  1  0  0  0  0
 16  6  2  0  0  0  0
 17 11  2  0  0  0  0
 18  4  1  0  0  0  0
 19  5  1  0  0  0  0
 20 13  1  0  0  0  0
  3  2  1  0  0  0  0
 14 13  2  0  0  0  0
M  END
>  <Mol_ID> (5,796)
5796

>  <Formula> (5,796)
C11H13N5O3S

>  <MolWeight> (5,796)
295.31762

>  <COMPOUND_NAME> (5,796)
WAY-636254

>  <BAR_CODE_NO> (5,796)
90470736

$$$$
WAY-636288
csChFnd80/06171916332D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -0.3833    2.2083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042    1.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8875    1.7875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8875    2.6125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042    2.8708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2083    2.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1583    0.7500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6917   -1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417   -2.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917   -2.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1417   -0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6208    1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8000   -2.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000    0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5042   -1.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6625   -0.8167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0542   -1.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7375   -3.4417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542   -3.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6208    2.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    2.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8583    2.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8583    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708   -3.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1542   -2.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8 11  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 14  1  0  0  0  0
 12  6  2  0  0  0  0
 13 17  1  0  0  0  0
 14  7  1  0  0  0  0
 15  8  1  0  0  0  0
 16 11  2  0  0  0  0
 17 15  2  0  0  0  0
 18 12  1  0  0  0  0
 19 10  1  0  0  0  0
 20 13  1  0  0  0  0
 21  6  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 18  1  0  0  0  0
 25 19  1  0  0  0  0
 26 20  1  0  0  0  0
  4  3  1  0  0  0  0
 23 18  2  0  0  0  0
 13 10  2  0  0  0  0
M  END
>  <Mol_ID> (5,797)
5797

>  <Formula> (5,797)
C18H18N4O3S

>  <MolWeight> (5,797)
370.42552

>  <COMPOUND_NAME> (5,797)
WAY-636288

>  <BAR_CODE_NO> (5,797)
90470771

$$$$
WAY-636294
csChFnd80/06171916332D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.8750    0.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1792    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6208    0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417   -0.7792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2417   -0.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8750    2.2958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958    1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7375    0.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6625    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6625    2.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8000   -0.3417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5417    0.4458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3750    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3750    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9500   -2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3042   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0958    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0958    2.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5625   -2.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042   -3.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042   -3.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  7  1  0  0  0  0
  7  1  2  0  0  0  0
  8  2  1  0  0  0  0
  9  1  1  0  0  0  0
 10  9  2  0  0  0  0
 11  5  2  0  0  0  0
 12  5  1  0  0  0  0
 13  8  2  0  0  0  0
 14  8  1  0  0  0  0
 15  9  1  0  0  0  0
 16 10  1  0  0  0  0
 17 12  1  0  0  0  0
 18 12  2  0  0  0  0
 19 15  2  0  0  0  0
 20 19  1  0  0  0  0
 21 18  1  0  0  0  0
 22 17  2  0  0  0  0
 23 21  2  0  0  0  0
 10  6  1  0  0  0  0
 20 16  2  0  0  0  0
 23 22  1  0  0  0  0
M  END
>  <Mol_ID> (5,798)
5798

>  <Formula> (5,798)
C18H14N2O3

>  <MolWeight> (5,798)
306.31536

>  <COMPOUND_NAME> (5,798)
WAY-636294

>  <BAR_CODE_NO> (5,798)
90470777

$$$$
WAY-636295
csChFnd80/06171916332D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -0.8833   -0.6417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333   -0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6833   -0.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9042   -0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1917   -0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792   -0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833    1.2125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0458    0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6250   -0.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1958   -1.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1917    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792    1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6833    1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9042   -1.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  2  1  0  0  0  0
  7  2  2  0  0  0  0
  8  7  1  0  0  0  0
  9  3  1  0  0  0  0
 10  4  2  0  0  0  0
 11  3  2  0  0  0  0
 12 13  2  0  0  0  0
 13  7  1  0  0  0  0
 14  9  1  0  0  0  0
 15  4  1  0  0  0  0
 14  8  1  0  0  0  0
 12  5  1  0  0  0  0
M  END
>  <Mol_ID> (5,799)
5799

>  <Formula> (5,799)
C10H9NO3S

>  <MolWeight> (5,799)
223.24836

>  <COMPOUND_NAME> (5,799)
WAY-636295

>  <BAR_CODE_NO> (5,799)
90470778

$$$$
WAY-636304
csChFnd80/06171916332D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.8792   -0.8417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6917   -1.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917   -0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1042   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5500    0.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0250   -1.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792    0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458    0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333   -0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0625   -0.0250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0625    1.6250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8417   -1.8542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333    1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5417   -2.4375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7750    0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7750    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  2  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  9  1  0  0  0  0
  9  7  2  0  0  0  0
 10 15  1  0  0  0  0
 11  8  1  0  0  0  0
 12 10  1  0  0  0  0
 13  6  2  0  0  0  0
 14  7  1  0  0  0  0
 15 14  2  0  0  0  0
 16  6  1  0  0  0  0
 17 11  1  0  0  0  0
 18 12  1  0  0  0  0
  5  4  1  0  0  0  0
 10  8  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (5,800)
5800

>  <Formula> (5,800)
C13H10O4S

>  <MolWeight> (5,800)
262.2811

>  <COMPOUND_NAME> (5,800)
WAY-636304

>  <BAR_CODE_NO> (5,800)
90470787

$$$$
WAY-636305
csChFnd80/06171916332D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -0.4958   -2.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2917   -1.8375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9833   -1.4250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958    0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2917   -1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4500    1.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6125    0.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -2.8792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000    2.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1625    1.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2583    1.5958    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.9042    1.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9667    0.9083    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  7  1  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8  5  2  0  0  0  0
  9  5  1  0  0  0  0
 10  1  1  0  0  0  0
 11  8  1  0  0  0  0
 12  9  2  0  0  0  0
 13  8  1  0  0  0  0
 14 12  1  0  0  0  0
 15 12  1  0  0  0  0
  4  6  2  0  0  0  0
 14 11  2  0  0  0  0
M  END
>  <Mol_ID> (5,801)
5801

>  <Formula> (5,801)
C10H8Cl2N2S

>  <MolWeight> (5,801)
259.15492

>  <COMPOUND_NAME> (5,801)
WAY-636305

>  <BAR_CODE_NO> (5,801)
90470788

$$$$
WAY-636509
csChFnd80/06171916332D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -0.7750    2.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583   -1.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7750    1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542   -2.3250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4875    3.0458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667   -4.3792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583    3.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7750   -2.3250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4875    1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583    1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7750   -0.6750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583   -1.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7750    0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542   -3.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4875    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667   -3.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542   -4.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583    3.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542    2.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583   -3.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583   -4.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667    3.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542    4.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667    3.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 12  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  2  0  0  0  0
  6 17  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  2  0  0  0  0
  9  3  2  0  0  0  0
 10  3  1  0  0  0  0
 11 13  1  0  0  0  0
 12 11  1  0  0  0  0
 13 15  1  0  0  0  0
 14  4  1  0  0  0  0
 15 10  2  0  0  0  0
 16  9  1  0  0  0  0
 17 14  2  0  0  0  0
 18 22  1  0  0  0  0
 19  7  2  0  0  0  0
 20  7  1  0  0  0  0
 21 14  1  0  0  0  0
 22 21  2  0  0  0  0
 23 20  2  0  0  0  0
 24 19  1  0  0  0  0
 25 23  1  0  0  0  0
 13 16  2  0  0  0  0
 25 24  2  0  0  0  0
 18  6  2  0  0  0  0
M  END
>  <Mol_ID> (5,802)
5802

>  <Formula> (5,802)
C20H16N2O3

>  <MolWeight> (5,802)
332.35264

>  <COMPOUND_NAME> (5,802)
WAY-636509

>  <BAR_CODE_NO> (5,802)
90470994

$$$$
WAY-636642
csChFnd80/06171916332D

 30 34  0  0  0  0  0  0  0  0999 V2000
   -0.3000    0.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1792    1.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000    1.6958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0875    0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0875    1.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458   -0.4250    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.6000   -1.0375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7083   -2.2625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042    1.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7625   -0.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3125    0.0208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458    2.4833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3458   -1.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4083   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8958   -2.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9583   -1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8000    0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8000    1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2583   -2.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167    1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167    0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0167   -1.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5208    0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5208    1.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3750   -0.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2417    1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2417    0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8167   -1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6542    1.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8 16  1  0  0  0  0
  9  2  1  0  0  0  0
 10  6  1  0  0  0  0
 11 10  2  0  0  0  0
 12  3  1  0  0  0  0
 13  7  1  0  0  0  0
 14  7  1  0  0  0  0
 15 13  1  0  0  0  0
 16 14  1  0  0  0  0
 17  4  1  0  0  0  0
 18  5  1  0  0  0  0
 19  8  1  0  0  0  0
 20 11  1  0  0  0  0
 21  9  2  0  0  0  0
 22  9  1  0  0  0  0
 23 10  1  0  0  0  0
 24 17  2  0  0  0  0
 25 24  1  0  0  0  0
 26 29  1  0  0  0  0
 27 21  1  0  0  0  0
 28 22  2  0  0  0  0
 29 23  2  0  0  0  0
 30 28  1  0  0  0  0
  5  3  1  0  0  0  0
 15  8  1  0  0  0  0
 25 18  2  0  0  0  0
 26 20  2  0  0  0  0
 30 27  2  0  0  0  0
M  END
>  <Mol_ID> (5,803)
5803

>  <Formula> (5,803)
C25H26N4O

>  <MolWeight> (5,803)
398.50014

>  <COMPOUND_NAME> (5,803)
WAY-636642

>  <BAR_CODE_NO> (5,803)
90471128

$$$$
WAY-653626
csChFnd80/06171916332D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.9750   -0.4167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7375    0.2958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3250   -0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4542    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4542   -1.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2417   -0.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2417   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9750    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5625    0.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1500   -0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5625    1.7250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000   -0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7375   -1.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8000    1.0083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7375   -1.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7375    0.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0875    0.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0875   -1.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3250    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7375    1.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042   -1.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042    1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3 12  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  2  0  0  0  0
  7  4  2  0  0  0  0
  8  9  1  0  0  0  0
  9  2  1  0  0  0  0
 10  1  1  0  0  0  0
 11 20  1  0  0  0  0
 12 17  1  0  0  0  0
 13  3  2  0  0  0  0
 14  8  2  0  0  0  0
 15 10  2  0  0  0  0
 16 10  1  0  0  0  0
 17 16  2  0  0  0  0
 18 15  1  0  0  0  0
 19  2  1  0  0  0  0
 20 19  1  0  0  0  0
 21  5  1  0  0  0  0
 22  4  1  0  0  0  0
  7  6  1  0  0  0  0
 12 18  2  0  0  0  0
 11  8  1  0  0  0  0
M  END
>  <Mol_ID> (5,804)
5804

>  <Formula> (5,804)
C17H19N3O2

>  <MolWeight> (5,804)
297.35166

>  <COMPOUND_NAME> (5,804)
WAY-653626

>  <BAR_CODE_NO> (5,804)
90488309

$$$$
WAY-653678
csChFnd80/06171916332D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -1.5500    0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8375    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208    0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2625    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8375    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2625    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5500    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042   -2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7375   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9833    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7375   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9833    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4500   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6958    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4500   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6958    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4 10  1  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  3  1  0  0  0  0
  9  7  1  0  0  0  0
 10  8  1  0  0  0  0
 11  2  1  0  0  0  0
 12  5  2  0  0  0  0
 13  6  2  0  0  0  0
 14 13  1  0  0  0  0
 15 12  1  0  0  0  0
 16  5  1  0  0  0  0
 17  6  1  0  0  0  0
 18 12  1  0  0  0  0
 19 13  1  0  0  0  0
 20 15  1  0  0  0  0
 21 16  2  0  0  0  0
 22 17  2  0  0  0  0
 23 21  1  0  0  0  0
 24 22  1  0  0  0  0
 14 11  2  0  0  0  0
 24 19  2  0  0  0  0
  4  9  1  0  0  0  0
 23 18  2  0  0  0  0
M  END
>  <Mol_ID> (5,805)
5805

>  <Formula> (5,805)
C20H21N3O

>  <MolWeight> (5,805)
319.40024

>  <COMPOUND_NAME> (5,805)
WAY-653678

>  <BAR_CODE_NO> (5,805)
90488361

$$$$
WAY-653718
csChFnd80/06171916332D

 28 30  0  0  0  0  0  0  0  0999 V2000
   -0.3958   -1.9875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0917   -2.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792   -2.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0917   -1.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792   -1.5750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292    2.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6875    1.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1625   -3.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792    2.8708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1625   -0.5375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292    0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7292    3.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750    2.4333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708   -3.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833    3.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708    1.0333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3917    0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208   -1.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333    3.2208    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.3917   -4.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792    4.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5208   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2250   -4.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333    4.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292   -4.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0250    5.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167    5.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708   -5.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  7  1  0  0  0  0
  7 11  1  0  0  0  0
  8  2  1  0  0  0  0
  9  6  1  0  0  0  0
 10  4  1  0  0  0  0
 11 17  1  0  0  0  0
 12  9  1  0  0  0  0
 13  6  2  0  0  0  0
 14  8  2  0  0  0  0
 15 12  2  0  0  0  0
 16 11  2  0  0  0  0
 17 10  1  0  0  0  0
 18  1  1  0  0  0  0
 19 15  1  0  0  0  0
 20  8  1  0  0  0  0
 21 12  1  0  0  0  0
 22 14  1  0  0  0  0
 23 14  1  0  0  0  0
 24 15  1  0  0  0  0
 25 20  2  0  0  0  0
 26 21  2  0  0  0  0
 27 26  1  0  0  0  0
 28 25  1  0  0  0  0
  5  3  1  0  0  0  0
 28 23  2  0  0  0  0
 27 24  2  0  0  0  0
M  END
>  <Mol_ID> (5,806)
5806

>  <Formula> (5,806)
C19H18FN5O2S

>  <MolWeight> (5,806)
399.4419232

>  <COMPOUND_NAME> (5,806)
WAY-653718

>  <BAR_CODE_NO> (5,806)
90488401

$$$$
WAY-653856
csChFnd80/06171916332D

 20 23  0  0  0  0  0  0  0  0999 V2000
   -0.6708    0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1125    0.4333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708   -0.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1125   -0.9042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6000   -0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3875    0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1000   -0.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3875   -1.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1000    0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4250   -0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8375   -0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6625   -0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3875    1.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0750   -1.6667    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.8375    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6625    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8208    0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0750   -0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1000    1.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8208    1.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  9  1  0  0  0  0
  8  3  1  0  0  0  0
  9  6  2  0  0  0  0
 10  5  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13  6  1  0  0  0  0
 14 12  1  0  0  0  0
 15 10  2  0  0  0  0
 16 15  1  0  0  0  0
 17  9  1  0  0  0  0
 18 16  2  0  0  0  0
 19 13  2  0  0  0  0
 20 19  1  0  0  0  0
  7  8  2  0  0  0  0
  4  5  2  0  0  0  0
 20 17  2  0  0  0  0
 18 12  1  0  0  0  0
M  END
>  <Mol_ID> (5,807)
5807

>  <Formula> (5,807)
C15H9ClN4

>  <MolWeight> (5,807)
280.71176

>  <COMPOUND_NAME> (5,807)
WAY-653856

>  <BAR_CODE_NO> (5,807)
90488540

$$$$
WAY-653857
csChFnd80/06171916332D

 23 25  0  0  0  0  0  0  0  0999 V2000
    2.7625   -2.5250    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.8083    1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5250    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0958    1.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0500   -2.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8083    0.3625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.7625   -3.3500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.8083    2.8375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0958   -0.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0958    2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4792   -2.1125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5250    2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6167   -1.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0958   -0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8083   -1.2875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0500   -1.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292   -2.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6167   -2.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292   -0.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2375    1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2375    2.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9583    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9583    2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  6  1  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6 14  1  0  0  0  0
  7  1  1  0  0  0  0
  8 10  1  0  0  0  0
  9 13  1  0  0  0  0
 10  4  2  0  0  0  0
 11  1  2  0  0  0  0
 12  3  1  0  0  0  0
 13 18  2  0  0  0  0
 14  9  1  0  0  0  0
 15  9  2  0  0  0  0
 16  5  1  0  0  0  0
 17  5  2  0  0  0  0
 18 17  1  0  0  0  0
 19 16  2  0  0  0  0
 20  3  1  0  0  0  0
 21 12  1  0  0  0  0
 22 20  2  0  0  0  0
 23 22  1  0  0  0  0
 13 19  1  0  0  0  0
  8 12  2  0  0  0  0
 23 21  2  0  0  0  0
M  END
>  <Mol_ID> (5,808)
5808

>  <Formula> (5,808)
C16H11N3O3S

>  <MolWeight> (5,808)
325.34184

>  <COMPOUND_NAME> (5,808)
WAY-653857

>  <BAR_CODE_NO> (5,808)
90488541

$$$$
WAY-654007
csChFnd80/06171916332D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -1.4625   -0.7542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9833   -1.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4625   -2.0917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792    0.7208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2458   -1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2458   -1.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4917    1.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542   -0.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1583   -1.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4917    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167    1.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792   -0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1583    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7292    0.7208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792    2.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9625   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9625   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7292    2.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5542    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4917    2.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6750   -1.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6750   -1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167    2.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4 10  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  2  0  0  0  0
  7  4  1  0  0  0  0
  8  9  1  0  0  0  0
  9  2  1  0  0  0  0
 10 14  1  0  0  0  0
 11 13  1  0  0  0  0
 12  7  2  0  0  0  0
 13  8  1  0  0  0  0
 14  8  1  0  0  0  0
 15 12  1  0  0  0  0
 16  7  1  0  0  0  0
 17  5  1  0  0  0  0
 18  6  1  0  0  0  0
 19 12  1  0  0  0  0
 20 15  1  0  0  0  0
 21 16  2  0  0  0  0
 22 23  1  0  0  0  0
 23 17  2  0  0  0  0
 24 21  1  0  0  0  0
  3  6  1  0  0  0  0
 22 18  2  0  0  0  0
  4 11  1  0  0  0  0
 24 19  2  0  0  0  0
M  END
>  <Mol_ID> (5,809)
5809

>  <Formula> (5,809)
C19H22N4O

>  <MolWeight> (5,809)
322.40418

>  <COMPOUND_NAME> (5,809)
WAY-654007

>  <BAR_CODE_NO> (5,809)
90488692

$$$$
WAY-654092
csChFnd80/06171916332D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -1.3708    2.4708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8875    1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708    1.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1583    1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1583    2.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542   -0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042   -1.5667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042   -0.1667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8167   -1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208    0.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083    0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8708    0.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8708    2.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042   -2.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5833    1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5833    2.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1417   -1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7542   -2.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4917   -2.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6667   -1.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6 11  1  0  0  0  0
  7  6  1  0  0  0  0
  8  6  2  0  0  0  0
  9  7  1  0  0  0  0
 10  3  1  0  0  0  0
 11 12  1  0  0  0  0
 12 10  1  0  0  0  0
 13  4  1  0  0  0  0
 14  5  1  0  0  0  0
 15  9  1  0  0  0  0
 16  9  1  0  0  0  0
 17 18  1  0  0  0  0
 18 14  2  0  0  0  0
 19 16  1  0  0  0  0
 20 15  1  0  0  0  0
 21 20  1  0  0  0  0
 22 19  1  0  0  0  0
  4  3  1  0  0  0  0
 17 13  2  0  0  0  0
 22 21  1  0  0  0  0
M  END
>  <Mol_ID> (5,810)
5810

>  <Formula> (5,810)
C19H26N2O

>  <MolWeight> (5,810)
298.42254

>  <COMPOUND_NAME> (5,810)
WAY-654092

>  <BAR_CODE_NO> (5,810)
90488777

$$$$
WAY-654161
csChFnd80/06171916332D

 24 26  0  0  0  0  0  0  0  0999 V2000
    0.2917   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7250   -0.7042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4375   -0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2833   -0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208   -0.2917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4375    0.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042   -0.2917    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.2833    0.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0625   -0.5417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0625    0.7958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5458    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5625   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1542    0.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2917   -1.5292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1542   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5625    0.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8667    0.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8500   -0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1333   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8667   -0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8500    0.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    0.9458    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.7250    0.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042    0.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  1  0  0  0  0
  3  2  1  0  0  0  0
  4 12  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  2  0  0  0  0
  7  1  1  0  0  0  0
  8 16  1  0  0  0  0
  9  4  1  0  0  0  0
 10  8  1  0  0  0  0
 11  9  1  0  0  0  0
 12 18  2  0  0  0  0
 13  6  1  0  0  0  0
 14  1  2  0  0  0  0
 15  3  1  0  0  0  0
 16 21  2  0  0  0  0
 17 20  1  0  0  0  0
 18 19  1  0  0  0  0
 19  5  1  0  0  0  0
 20 15  2  0  0  0  0
 21 18  1  0  0  0  0
 22 17  1  0  0  0  0
 23  6  1  0  0  0  0
 24  7  1  0  0  0  0
 17 13  2  0  0  0  0
  8  4  2  0  0  0  0
 11 10  1  0  0  0  0
M  END
>  <Mol_ID> (5,811)
5811

>  <Formula> (5,811)
C18H18ClNO4

>  <MolWeight> (5,811)
347.79282

>  <COMPOUND_NAME> (5,811)
WAY-654161

>  <BAR_CODE_NO> (5,811)
90488847

$$$$
WAY-654220
csChFnd80/06171916332D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -1.7378   -0.1103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9137   -0.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8137    0.7897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6275   -0.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1068   -0.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8930   -1.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7137    1.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1068    1.3897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2378    0.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8654   -1.3621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7242   -0.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0758   -1.9586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1447    1.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1930    0.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5242   -0.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7346   -1.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1137    1.9414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6102    1.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2553   -0.6103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5070    0.8621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0863   -0.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8449   -0.7897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1725    0.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7070   -0.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7553   -1.7103    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.0346    1.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8070    0.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  2  0  0  0  0
 13 17  2  0  0  0  0
 14 18  2  0  0  0  0
 15 19  1  0  0  0  0
 15 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 23 26  2  0  0  0  0
 24 27  2  0  0  0  0
  7  9  2  0  0  0  0
 12 16  1  0  0  0  0
 17 18  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (5,812)
5812

>  <Formula> (5,812)
C21H13FN2O3

>  <MolWeight> (5,812)
360.3379232

>  <COMPOUND_NAME> (5,812)
WAY-654220

>  <BAR_CODE_NO> (5,812)
90488907

$$$$
WAY-654300
csChFnd80/06171916332D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -1.1333    0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6125    0.7333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083    0.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6125   -0.6042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042    0.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292    0.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3958    0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3958   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542    0.7833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083    1.4958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1667    0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9917   -1.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4042   -2.0792    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.7542   -0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9917    0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4042   -0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1667   -1.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292    1.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292   -0.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1125    0.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1125   -0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8250   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8250    0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  2  1  0  0  0  0
  8  4  1  0  0  0  0
  9  6  1  0  0  0  0
 10  5  2  0  0  0  0
 11  9  1  0  0  0  0
 12 16  2  0  0  0  0
 13 12  1  0  0  0  0
 14 11  1  0  0  0  0
 15 11  2  0  0  0  0
 16 15  1  0  0  0  0
 17 14  2  0  0  0  0
 18  6  1  0  0  0  0
 19  6  1  0  0  0  0
 20  7  1  0  0  0  0
 21  8  1  0  0  0  0
 22 21  2  0  0  0  0
 23 20  2  0  0  0  0
  8  7  2  0  0  0  0
 22 23  1  0  0  0  0
 12 17  1  0  0  0  0
M  END
>  <Mol_ID> (5,813)
5813

>  <Formula> (5,813)
C17H16ClN3O2

>  <MolWeight> (5,813)
329.78084

>  <COMPOUND_NAME> (5,813)
WAY-654300

>  <BAR_CODE_NO> (5,813)
90488987

$$$$
WAY-654324
csChFnd80/06171916332D

 23 24  0  0  0  0  0  0  0  0999 V2000
    0.2167    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167   -0.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2125   -2.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000   -0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292    1.1333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000   -2.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2125   -1.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000    1.1333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000   -1.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167   -2.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167   -1.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9333   -2.9917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000   -3.8167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6458   -2.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167   -4.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6917    2.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667    2.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1500    3.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042    3.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6917    3.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292    4.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667    3.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  7  1  0  0  0  0
  4  2  2  0  0  0  0
  5  1  1  0  0  0  0
  6 10  1  0  0  0  0
  7  9  2  0  0  0  0
  8  1  2  0  0  0  0
  9  4  1  0  0  0  0
 10 11  2  0  0  0  0
 11  9  1  0  0  0  0
 12  3  1  0  0  0  0
 13  5  1  0  0  0  0
 14  6  1  0  0  0  0
 15 12  1  0  0  0  0
 16 14  1  0  0  0  0
 17 13  1  0  0  0  0
 18 13  1  0  0  0  0
 19 18  1  0  0  0  0
 20 17  1  0  0  0  0
 21 20  1  0  0  0  0
 22 23  1  0  0  0  0
 23 19  1  0  0  0  0
 22 21  1  0  0  0  0
  6  3  2  0  0  0  0
M  END
>  <Mol_ID> (5,814)
5814

>  <Formula> (5,814)
C19H27NO3

>  <MolWeight> (5,814)
317.42258

>  <COMPOUND_NAME> (5,814)
WAY-654324

>  <BAR_CODE_NO> (5,814)
90489011

$$$$
WAY-654340
csChFnd80/06171916332D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -1.1958    2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1958    1.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9750    2.6458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9750    1.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4625    1.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833    1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375    1.5625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833    0.3250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375   -0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375   -0.9125    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.2375    2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9500   -1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833   -1.3250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9500   -2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6667   -0.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792   -2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2333    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792   -1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6667   -2.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2875    1.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0917   -2.5625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1958   -0.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833   -2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8042   -2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  2  0  0  0  0
  7  1  2  0  0  0  0
  8 12  2  0  0  0  0
  9  6  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12  7  1  0  0  0  0
 13 11  1  0  0  0  0
 14 11  1  0  0  0  0
 15 13  2  0  0  0  0
 16 13  1  0  0  0  0
 17 19  1  0  0  0  0
 18  4  1  0  0  0  0
 19 16  2  0  0  0  0
 20 15  1  0  0  0  0
 21  5  1  0  0  0  0
 22 17  1  0  0  0  0
 23 14  1  0  0  0  0
 24 14  1  0  0  0  0
 25 22  1  0  0  0  0
  4  5  2  0  0  0  0
  8  6  1  0  0  0  0
 17 20  2  0  0  0  0
M  END
>  <Mol_ID> (5,815)
5815

>  <Formula> (5,815)
C19H24N4OS

>  <MolWeight> (5,815)
356.48506

>  <COMPOUND_NAME> (5,815)
WAY-654340

>  <BAR_CODE_NO> (5,815)
90489027

$$$$
WAY-654447
csChFnd80/06171916332D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.5333    1.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458    2.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2750    0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3125    1.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333    2.7208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292    0.4333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5542   -2.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3125    2.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3000   -1.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -0.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000   -3.3250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7875   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542   -2.8792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8500   -1.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917   -1.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375   -0.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5917   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0333    1.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0333    2.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6167   -3.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7458    1.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7458    2.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  9  1  0  0  0  0
  8  4  2  0  0  0  0
  9 14  1  0  0  0  0
 10  3  2  0  0  0  0
 11  7  2  0  0  0  0
 12  6  1  0  0  0  0
 13  7  1  0  0  0  0
 14 17  2  0  0  0  0
 15 16  1  0  0  0  0
 16 12  2  0  0  0  0
 17 12  1  0  0  0  0
 18  4  1  0  0  0  0
 19  8  1  0  0  0  0
 20 13  1  0  0  0  0
 21 18  2  0  0  0  0
 22 21  1  0  0  0  0
  8  5  1  0  0  0  0
 22 19  2  0  0  0  0
  9 15  2  0  0  0  0
M  END
>  <Mol_ID> (5,816)
5816

>  <Formula> (5,816)
C16H14N4O2

>  <MolWeight> (5,816)
294.30796

>  <COMPOUND_NAME> (5,816)
WAY-654447

>  <BAR_CODE_NO> (5,816)
90489134

$$$$
WAY-654492-A
csChFnd80/06171916332D

 28 31  0  0  0  0  0  0  0  0999 V2000
    1.2167   -0.7625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167   -2.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208    2.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083    1.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083    2.5375    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.9208    3.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167   -3.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9375   -1.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042    0.4750    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.5042   -1.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9375   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042    1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042   -3.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083    0.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042    3.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6333    2.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083    4.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042    2.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6333    4.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083   -3.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042   -4.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3500    2.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3500    3.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083   -4.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208   -3.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208   -4.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 10  1  0  0  0  0
  3  5  1  0  0  0  0
  4 14  1  0  0  0  0
  5  4  1  0  0  0  0
  6  3  2  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  1  1  0  0  0  0
 10 12  1  0  0  0  0
 11  7  1  0  0  0  0
 12  1  1  0  0  0  0
 13  9  1  0  0  0  0
 14 11  1  0  0  0  0
 15  8  1  0  0  0  0
 16 11  1  0  0  0  0
 17 20  1  0  0  0  0
 18  3  1  0  0  0  0
 19 17  1  0  0  0  0
 20  5  1  0  0  0  0
 21  6  1  0  0  0  0
 22 15  1  0  0  0  0
 23 15  2  0  0  0  0
 24 18  2  0  0  0  0
 25 24  1  0  0  0  0
 26 23  1  0  0  0  0
 27 22  2  0  0  0  0
 28 26  2  0  0  0  0
  2 13  1  0  0  0  0
 28 27  1  0  0  0  0
 19  6  1  0  0  0  0
 25 21  2  0  0  0  0
M  END
>  <Mol_ID> (5,817)
5817

>  <Formula> (5,817)
C24H32N2O2

>  <MolWeight> (5,817)
380.52308

>  <COMPOUND_NAME> (5,817)
WAY-654492-A

>  <BAR_CODE_NO> (5,817)
90489179

$$$$
WAY-654498
csChFnd80/06171916332D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -0.0833   -0.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1875   -0.4417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042   -1.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1875   -1.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1500    0.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083   -0.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333   -0.8542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1500   -2.3042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3625    2.1708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417    1.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9125    1.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  2  0  0  0  0
  5  4  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  3  0  0  0  0
  9  4  1  0  0  0  0
 10 13  1  0  0  0  0
 11  6  1  0  0  0  0
 12  6  1  0  0  0  0
 13 12  1  0  0  0  0
 14 11  1  0  0  0  0
  3  5  1  0  0  0  0
 10 14  1  0  0  0  0
M  END
>  <Mol_ID> (5,818)
5818

>  <Formula> (5,818)
C8H11N5O

>  <MolWeight> (5,818)
193.20584

>  <COMPOUND_NAME> (5,818)
WAY-654498

>  <BAR_CODE_NO> (5,818)
90489185

$$$$
WAY-654549
csChFnd80/06171916332D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -0.2333   -2.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542   -3.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833   -2.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7125   -3.4625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542   -3.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333   -4.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667   -1.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583    3.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1083    3.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4000    2.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8750   -1.5667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042    3.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042    2.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583    4.5292    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.9542    2.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6625    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1875   -0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833   -4.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4625    3.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042    0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  3  1  0  0  0  0
  8 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  2  0  0  0  0
 11  7  2  0  0  0  0
 12 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14  9  1  0  0  0  0
 15 13  1  0  0  0  0
 16 20  1  0  0  0  0
 17  7  1  0  0  0  0
 18  6  1  0  0  0  0
 19  8  1  0  0  0  0
 20 21  1  0  0  0  0
 21 17  1  0  0  0  0
  5  6  2  0  0  0  0
  9  8  2  0  0  0  0
M  END
>  <Mol_ID> (5,819)
5819

>  <Formula> (5,819)
C15H17ClN2O2S

>  <MolWeight> (5,819)
324.82568

>  <COMPOUND_NAME> (5,819)
WAY-654549

>  <BAR_CODE_NO> (5,819)
90489236

$$$$
WAY-655021
csChFnd80/06171916332D

 21 24  0  0  0  0  0  0  0  0999 V2000
   -0.8083    0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5583   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542   -0.7042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.8042   -0.0917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3250    0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167   -1.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6125   -0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042   -1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8667   -1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083   -1.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8083    1.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3083    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1667    0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6750   -1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3083    1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0208    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9667    0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0208    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2250   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  9  1  0  0  0  0
  8  4  1  0  0  0  0
  9  3  1  0  0  0  0
 10  7  1  0  0  0  0
 11  2  2  0  0  0  0
 12  5  2  0  0  0  0
 13  6  1  0  0  0  0
 14  5  1  0  0  0  0
 15  8  1  0  0  0  0
 16 10  1  0  0  0  0
 17 12  1  0  0  0  0
 18 14  2  0  0  0  0
 19 15  2  0  0  0  0
 20 18  1  0  0  0  0
 21 16  2  0  0  0  0
 12 13  1  0  0  0  0
 20 17  2  0  0  0  0
 10  8  2  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <Mol_ID> (5,820)
5820

>  <Formula> (5,820)
C17H15NO3

>  <MolWeight> (5,820)
281.3059

>  <COMPOUND_NAME> (5,820)
WAY-655021

>  <BAR_CODE_NO> (5,820)
90489711

$$$$
WAY-655200
csChFnd80/06171916332D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.3542   -0.1167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333   -0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333    0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5917    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208    0.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6333   -1.7667    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.1792   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6333   -0.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5792    1.4875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542    1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8667    1.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4125    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1250   -1.5667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3458   -2.1792    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.1250    1.3333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208   -2.1792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6333    0.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3458   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4500    1.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3458    0.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9625    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  8  1  0  0  0  0
  6  4  1  0  0  0  0
  7  9  1  0  0  0  0
  8  1  1  0  0  0  0
  9  3  1  0  0  0  0
 10 13  2  0  0  0  0
 11  5  2  0  0  0  0
 12 11  1  0  0  0  0
 13  5  1  0  0  0  0
 14  2  2  0  0  0  0
 15  7  1  0  0  0  0
 16  4  2  0  0  0  0
 17  7  2  0  0  0  0
 18  6  1  0  0  0  0
 19  9  2  0  0  0  0
 20 11  1  0  0  0  0
 21 18  2  0  0  0  0
 22 13  1  0  0  0  0
  3  6  2  0  0  0  0
 12 10  1  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <Mol_ID> (5,821)
5821

>  <Formula> (5,821)
C14H11N3O5

>  <MolWeight> (5,821)
301.25424

>  <COMPOUND_NAME> (5,821)
WAY-655200

>  <BAR_CODE_NO> (5,821)
90489891

$$$$
WAY-654700
csChFnd80/06171916332D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -1.0833    1.1333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208    2.2875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833    0.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292    1.6750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3667   -1.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8833    2.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0292   -0.7167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7375   -3.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2167   -2.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3125    2.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8792   -2.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6000    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   -0.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3125    3.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1000    2.1083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542    0.2083    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1000    3.4458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    2.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1917   -1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167   -3.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8833    3.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0417   -2.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7292   -1.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6000    3.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5250   -2.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667   -4.3167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750   -0.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5875   -4.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  8  1  0  0  0  0
  7  2  1  0  0  0  0
  8 14  1  0  0  0  0
  9 10  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12  6  1  0  0  0  0
 13  7  2  0  0  0  0
 14 27  1  0  0  0  0
 15 25  1  0  0  0  0
 16 11  1  0  0  0  0
 17  4  1  0  0  0  0
 18 15  1  0  0  0  0
 19 16  1  0  0  0  0
 20  6  2  0  0  0  0
 21  9  2  0  0  0  0
 22  7  1  0  0  0  0
 23 26  2  0  0  0  0
 24 14  2  0  0  0  0
 25 22  2  0  0  0  0
 26 20  1  0  0  0  0
 27 17  1  0  0  0  0
 28  9  1  0  0  0  0
 29 20  1  0  0  0  0
 30 28  1  0  0  0  0
  3  5  1  0  0  0  0
 15 11  2  0  0  0  0
 19 18  1  0  0  0  0
 23 10  1  0  0  0  0
M  END
>  <Mol_ID> (5,822)
5822

>  <Formula> (5,822)
C20H17N3O6S

>  <MolWeight> (5,822)
427.43048

>  <COMPOUND_NAME> (5,822)
WAY-654700

>  <BAR_CODE_NO> (5,822)
90489388

$$$$
WAY-654787
csChFnd80/06171916332D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -0.0875    0.1458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3917    0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3917   -0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1792   -0.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1792    0.5583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1417   -1.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1417    1.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708    1.7708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708   -1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208   -2.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333   -2.4292    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.6917   -1.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4375   -2.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208    2.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6917    2.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708   -2.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708    3.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4375    2.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8  7  2  0  0  0  0
  9  6  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12  6  2  0  0  0  0
 13 12  1  0  0  0  0
 14  8  1  0  0  0  0
 15  7  1  0  0  0  0
 16 13  2  0  0  0  0
 17 18  1  0  0  0  0
 18 15  2  0  0  0  0
  5  4  1  0  0  0  0
 16 10  1  0  0  0  0
 17 14  2  0  0  0  0
M  END
>  <Mol_ID> (5,823)
5823

>  <Formula> (5,823)
C13H9BrN4

>  <MolWeight> (5,823)
301.14136

>  <COMPOUND_NAME> (5,823)
WAY-654787

>  <BAR_CODE_NO> (5,823)
90489476

$$$$
WAY-654788
csChFnd80/06171916332D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.0208    0.8333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4625    0.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4625    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2417    0.4208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2417    1.2458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042   -0.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083   -2.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042   -2.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583   -1.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042    2.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542   -1.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6000   -0.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583    3.2458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5583   -2.9750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6000    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0542   -2.6292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6625   -1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542    2.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083    3.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3625   -3.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2125   -1.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8625   -2.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042    3.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  2  0  0  0  0
 10  3  1  0  0  0  0
 11  6  2  0  0  0  0
 12  6  1  0  0  0  0
 13 15  1  0  0  0  0
 14  7  1  0  0  0  0
 15 10  2  0  0  0  0
 16  8  1  0  0  0  0
 17  9  1  0  0  0  0
 18 10  1  0  0  0  0
 19 23  1  0  0  0  0
 20 14  1  0  0  0  0
 21 17  1  0  0  0  0
 22 16  1  0  0  0  0
 23 18  2  0  0  0  0
  5  4  1  0  0  0  0
  7  8  2  0  0  0  0
 19 13  2  0  0  0  0
M  END
>  <Mol_ID> (5,824)
5824

>  <Formula> (5,824)
C16H16N4O3

>  <MolWeight> (5,824)
312.32324

>  <COMPOUND_NAME> (5,824)
WAY-654788

>  <BAR_CODE_NO> (5,824)
90489477

$$$$
WAY-654800
csChFnd80/06171916332D

 23 25  0  0  0  0  0  0  0  0999 V2000
    0.5667   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792   -0.7667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667    0.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9917   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9917    0.4708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1500    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1500   -0.7667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1500    1.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8625   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8625    0.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5833   -0.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6708   -1.5792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.7042   -0.7667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792    1.7083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3333   -0.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4708   -1.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8833   -1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9750    1.7083    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.6750    1.7083    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1500    2.5333    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792   -1.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667   -2.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  6  1  0  0  0  0
  6  3  1  0  0  0  0
  7  3  1  0  0  0  0
  8  1  1  0  0  0  0
  9  7  1  0  0  0  0
 10  8  2  0  0  0  0
 11 10  1  0  0  0  0
 12 10  1  0  0  0  0
 13 12  1  0  0  0  0
 14  4  2  0  0  0  0
 15  6  2  0  0  0  0
 16 12  2  0  0  0  0
 17 13  1  0  0  0  0
 18 16  1  0  0  0  0
 19  9  1  0  0  0  0
 20  9  1  0  0  0  0
 21  9  1  0  0  0  0
 22  2  1  0  0  0  0
 23 22  1  0  0  0  0
 11  7  2  0  0  0  0
  5  4  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (5,825)
5825

>  <Formula> (5,825)
C14H10F3N3O2S

>  <MolWeight> (5,825)
341.3083096

>  <COMPOUND_NAME> (5,825)
WAY-654800

>  <BAR_CODE_NO> (5,825)
90489489

$$$$
WAY-654833
csChFnd80/06171916332D

 22 25  0  0  0  0  0  0  0  0999 V2000
    1.7250   -0.5042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8125    0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0125   -0.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4792   -0.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5583   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6167    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5583    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2917   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0125   -1.7417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458   -0.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0292   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208   -0.9167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1333   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1333    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2625    0.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3458   -0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8333   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3458    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8750    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5167    1.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167    1.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5 10  1  0  0  0  0
  6  2  2  0  0  0  0
  7 12  1  0  0  0  0
  8  3  1  0  0  0  0
  9  3  2  0  0  0  0
 10 14  2  0  0  0  0
 11  4  1  0  0  0  0
 12 15  2  0  0  0  0
 13  8  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16  2  1  0  0  0  0
 17  5  1  0  0  0  0
 18 17  1  0  0  0  0
 19  7  1  0  0  0  0
 20  6  1  0  0  0  0
 21 16  2  0  0  0  0
 22 21  1  0  0  0  0
  6 11  1  0  0  0  0
 22 20  2  0  0  0  0
  7  5  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (5,826)
5826

>  <Formula> (5,826)
C19H19NO2

>  <MolWeight> (5,826)
293.35966

>  <COMPOUND_NAME> (5,826)
WAY-654833

>  <BAR_CODE_NO> (5,826)
90489522

$$$$
WAY-654948
csChFnd80/06171916332D

 32 34  0  0  0  0  0  0  0  0999 V2000
   -0.1583    2.0250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708    2.4375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542    1.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3000    3.2708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667   -0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0208    3.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542   -0.8625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542   -4.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667    0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542    0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542    2.7458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5708    1.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5875    2.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708    3.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542   -3.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5875    3.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3000    2.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9792   -0.8625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7333    3.2708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1583   -4.5750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542   -1.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667   -2.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1583   -2.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667   -4.5750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1583   -2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667   -2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667    2.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0208    4.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9792    0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9792    1.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667   -5.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9792   -5.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4 16  1  0  0  0  0
  5  9  1  0  0  0  0
  6  4  1  0  0  0  0
  7  5  1  0  0  0  0
  8 15  1  0  0  0  0
  9 10  2  0  0  0  0
 10  3  1  0  0  0  0
 11  1  2  0  0  0  0
 12  1  2  0  0  0  0
 13  2  1  0  0  0  0
 14  2  1  0  0  0  0
 15 22  1  0  0  0  0
 16 14  1  0  0  0  0
 17 13  1  0  0  0  0
 18  5  2  0  0  0  0
 19  6  2  0  0  0  0
 20  8  2  0  0  0  0
 21  7  1  0  0  0  0
 22 26  2  0  0  0  0
 23 25  1  0  0  0  0
 24  8  1  0  0  0  0
 25 21  2  0  0  0  0
 26 21  1  0  0  0  0
 27  3  2  0  0  0  0
 28  6  1  0  0  0  0
 29 30  2  0  0  0  0
 30 27  1  0  0  0  0
 31 24  1  0  0  0  0
 32 31  1  0  0  0  0
  4 17  1  0  0  0  0
 29  9  1  0  0  0  0
 15 23  2  0  0  0  0
M  END
>  <Mol_ID> (5,827)
5827

>  <Formula> (5,827)
C22H25N3O6S

>  <MolWeight> (5,827)
459.5154

>  <COMPOUND_NAME> (5,827)
WAY-654948

>  <BAR_CODE_NO> (5,827)
90489637

$$$$
WAY-655350
csChFnd80/06171916332D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -2.4208    1.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4208    0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7083    1.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7083   -0.1750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958    1.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958    0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2083   -0.0167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2083    1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6875    0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7083    2.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2917   -1.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5792   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0125   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5792   -0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8667   -1.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2750   -0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4375    0.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542   -0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8667    0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2917   -2.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  2  0  0  0  0
  7  2  1  0  0  0  0
  8  1  1  0  0  0  0
  9  8  2  0  0  0  0
 10  3  2  0  0  0  0
 11 12  1  0  0  0  0
 12 14  1  0  0  0  0
 13 11  2  0  0  0  0
 14 20  2  0  0  0  0
 15 19  1  0  0  0  0
 16  6  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 18  1  0  0  0  0
 21 11  1  0  0  0  0
  7  9  1  0  0  0  0
  6  4  1  0  0  0  0
 12 15  2  0  0  0  0
M  END
>  <Mol_ID> (5,828)
5828

>  <Formula> (5,828)
C15H12N2O3S

>  <MolWeight> (5,828)
300.33238

>  <COMPOUND_NAME> (5,828)
WAY-655350

>  <BAR_CODE_NO> (5,828)
90490041

$$$$
WAY-655469
csChFnd80/06171916332D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -0.5833    1.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708    1.5458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708    0.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792    1.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8583    0.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833    0.4625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8375    1.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6250   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5042    1.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7750   -2.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5042    2.7458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0708   -1.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6833    0.8750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3333   -1.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292   -2.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2875    1.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167    0.6208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2875    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7750    2.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2875   -1.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708   -1.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333   -3.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792   -3.0292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3917   -2.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  6  1  0  0  0  0
  4  1  2  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8  3  2  0  0  0  0
  9  7  1  0  0  0  0
 10 14  1  0  0  0  0
 11  9  1  0  0  0  0
 12  8  1  0  0  0  0
 13  5  2  0  0  0  0
 14 12  2  0  0  0  0
 15 20  1  0  0  0  0
 16  9  2  0  0  0  0
 17  7  2  0  0  0  0
 18 11  1  0  0  0  0
 19 16  1  0  0  0  0
 20 21  2  0  0  0  0
 21 12  1  0  0  0  0
 22 10  1  0  0  0  0
 23 15  1  0  0  0  0
 24 23  1  0  0  0  0
  5  3  1  0  0  0  0
 18 19  2  0  0  0  0
 15 10  2  0  0  0  0
M  END
>  <Mol_ID> (5,829)
5829

>  <Formula> (5,829)
C17H13NO5S

>  <MolWeight> (5,829)
343.35382

>  <COMPOUND_NAME> (5,829)
WAY-655469

>  <BAR_CODE_NO> (5,829)
90490160

$$$$
WAY-655595
csChFnd80/06171916332D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -0.3083   -2.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792   -2.8792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5583   -1.8417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7875   -3.2917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792   -3.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083   -3.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083   -1.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.4042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1750    3.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292    2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333    4.7000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7333    3.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292    3.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4708    2.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8875    2.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5875    1.5708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2583   -0.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5583   -4.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0375    0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2917    0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  3  1  0  0  0  0
  8  7  2  0  0  0  0
  9 13  1  0  0  0  0
 10 16  1  0  0  0  0
 11  9  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 10  2  0  0  0  0
 15 10  1  0  0  0  0
 16 19  1  0  0  0  0
 17  7  1  0  0  0  0
 18  6  1  0  0  0  0
 19 20  1  0  0  0  0
 20 17  1  0  0  0  0
  5  6  2  0  0  0  0
  9 12  2  0  0  0  0
M  END
>  <Mol_ID> (5,830)
5830

>  <Formula> (5,830)
C14H15BrN2O2S

>  <MolWeight> (5,830)
355.2501

>  <COMPOUND_NAME> (5,830)
WAY-655595

>  <BAR_CODE_NO> (5,830)
90490286

$$$$
WL-181718
csChFnd80/06171916332D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -1.8365    0.9550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4745    0.7826    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0952    2.2757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8331    0.0205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0945    1.9964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1841   -0.4036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8814    2.9481    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3814    2.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1469    0.4447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4359    2.2412    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5393   -0.1863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4227    1.8171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1738   -1.3898    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5773   -1.4657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4221   -2.5277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1841   -2.6760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0324   -3.7381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4290   -3.8243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  8 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
  5  7  2  0  0  0  0
  9 12  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (5,831)
5831

>  <Formula> (5,831)
C13H18N4O

>  <MolWeight> (5,831)
246.30822

>  <COMPOUND_NAME> (5,831)
WL-181718

>  <BAR_CODE_NO> (5,831)
295432

$$$$
WL-350217
csChFnd80/06171916332D

 14 15  0  0  0  0  0  0  0  0999 V2000
    1.2249   -0.1323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2249    1.1822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0896   -1.4554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5480   -1.4554    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.8668    1.1822    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0896    2.5053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4127   -1.4554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8668   -0.1323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7315   -0.1323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7315   -2.7742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1899   -1.4554    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0546   -0.1323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0546   -2.7742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3777   -1.4554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8 11  1  0  0  0  0
  9 12  2  0  0  0  0
 10 13  1  0  0  0  0
 12 14  1  0  0  0  0
  5  8  2  0  0  0  0
 13 14  2  0  0  0  0
M  END
>  <Mol_ID> (5,832)
5832

>  <Formula> (5,832)
C10H8N2OS

>  <MolWeight> (5,832)
204.24832

>  <COMPOUND_NAME> (5,832)
WL-350217

>  <BAR_CODE_NO> (5,832)
90436545

$$$$
CL-16859
csChFnd80/06171916332D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -0.5616   -1.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5616    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7622   -2.3065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8987   -2.3065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7622    0.7555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8987    0.7755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7622   -3.8643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8987   -3.8643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7622    2.3065    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5616   -4.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5616    3.0954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0926    3.0820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5616   -6.1842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5616    4.6465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0926    4.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8987   -6.9664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7622    5.4153    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7622    6.9664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
  8 10  2  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <Mol_ID> (5,833)
5833

>  <Formula> (5,833)
C14H20N2O2

>  <MolWeight> (5,833)
248.3208

>  <COMPOUND_NAME> (5,833)
CL-16859

>  <BAR_CODE_NO> (5,833)
90438144

$$$$
CL-203080
csChFnd80/06171916332D

 16 18  0  0  0  0  0  0  0  0999 V2000
   -1.2252    0.0082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3631    0.0082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6218   -1.0229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6356    1.0358    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7631    1.0771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3287   -0.7160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5541   -1.0229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5541    1.0496    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9425    1.0634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3045   -0.0332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1437    0.0185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3782    0.0082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7920   -1.1435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3679    0.7565    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0093   -1.1332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3851    0.0461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <Mol_ID> (5,834)
5834

>  <Formula> (5,834)
C10H6N4O2

>  <MolWeight> (5,834)
214.18024

>  <COMPOUND_NAME> (5,834)
CL-203080

>  <BAR_CODE_NO> (5,834)
90471474

$$$$
CL-209332
csChFnd80/06171916332D

 16 18  0  0  0  0  0  0  0  0999 V2000
   -0.0746   -0.6133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4006   -1.3840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2473   -1.3840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2279    0.8785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4006   -2.9296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7432   -0.6133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3868   -0.3522    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2473   -2.9296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7694    1.0318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0746   -3.7004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7432   -3.7004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0858   -1.3840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5443    2.3744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0858   -2.9296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7694    3.7004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0858    2.3744    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  9 13  1  0  0  0  0
 11 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <Mol_ID> (5,835)
5835

>  <Formula> (5,835)
C13H8O3

>  <MolWeight> (5,835)
212.20082

>  <COMPOUND_NAME> (5,835)
CL-209332

>  <BAR_CODE_NO> (5,835)
297443

$$$$
CL-282864
csChFnd80/06171916332D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -0.2101   -0.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4722   -0.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0381   -0.1690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1895   -0.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5308    0.1103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6998   -0.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1105    0.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4308   -0.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3515    0.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6826   -0.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3795    0.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0722    0.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4826    0.5897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4692    0.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5795   -0.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7485    0.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8588    0.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9381    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  9 13  2  0  0  0  0
 11 14  2  0  0  0  0
 11 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
  8 10  1  0  0  0  0
  9 12  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (5,836)
5836

>  <Formula> (5,836)
C15H12N2O

>  <MolWeight> (5,836)
236.26858

>  <COMPOUND_NAME> (5,836)
CL-282864

>  <BAR_CODE_NO> (5,836)
90437324

$$$$
CL-413513
csChFnd80/06171916332D

 20 23  0  0  0  0  0  0  0  0999 V2000
   -0.2655   -0.1446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4655    0.2347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2655   -1.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8069    0.4554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2931    1.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1552   -0.7860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8069   -2.0343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4655   -1.8136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8966   -0.1446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5138    0.8657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9345    2.3140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8966   -1.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9448    0.4554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3552    1.7864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7724    3.2347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9448   -2.0343    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0276   -0.1446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9828    2.9761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0276   -1.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1172   -2.0929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  7 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  2  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  2  0  0  0  0
 14 18  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  2  0  0  0  0
  6  8  1  0  0  0  0
  9 12  2  0  0  0  0
 15 18  2  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (5,837)
5837

>  <Formula> (5,837)
C17H10O3

>  <MolWeight> (5,837)
262.2595

>  <COMPOUND_NAME> (5,837)
CL-413513

>  <BAR_CODE_NO> (5,837)
297318

$$$$
GI-566536
csChFnd80/06171916332D

 16 19  0  0  0  0  0  0  0  0999 V2000
    0.4394    0.3383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8847    0.3383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6049    0.9970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4394   -0.9858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8847   -0.9858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0468    0.9970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7670    0.3383    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6049    2.3004    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7226   -1.6479    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6049   -1.6479    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0468   -1.6479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2088    0.3383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7670   -0.9858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8877    0.9383    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8877    2.3004    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2088   -0.9858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
 11 16  1  0  0  0  0
  5  9  1  0  0  0  0
 10 13  2  0  0  0  0
 12 16  1  0  0  0  0
 14 15  2  0  0  0  0
M  END
>  <Mol_ID> (5,838)
5838

>  <Formula> (5,838)
C10H9N5S

>  <MolWeight> (5,838)
231.27696

>  <COMPOUND_NAME> (5,838)
GI-566536

>  <BAR_CODE_NO> (5,838)
296485

$$$$
SD-57881
csChFnd80/06171916332D

 23 25  0  0  0  0  0  0  0  0999 V2000
    1.6562    0.7377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0291    0.2717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6187    0.3601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8322    0.9181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4542    1.3841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8664    1.2924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1266   -0.0786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7058   -0.2328    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0954    0.5189    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5000   -0.3899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5011   -0.9923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9780   -1.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4574   -0.9918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4602   -0.3863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9798   -0.0939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9444   -0.0858    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4277   -0.3858    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0890   -0.0817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6056   -0.3817    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0848    0.5183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3735    0.3392    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5236    0.3392    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0194   -1.2858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  6  1  1  0  0  0  0
 12 13  2  0  0  0  0
  7  8  1  0  0  0  0
 13 14  1  0  0  0  0
  1  2  2  0  0  0  0
 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
  3  4  2  0  0  0  0
 14 16  1  0  0  0  0
  8  2  1  0  0  0  0
 17 18  1  0  0  0  0
  1  9  1  0  0  0  0
 18 19  1  0  0  0  0
  9  7  2  0  0  0  0
 18 20  2  0  0  0  0
 19  7  1  0  0  0  0
  4  5  1  0  0  0  0
  2  3  1  0  0  0  0
 16 17  1  0  0  0  0
 10 11  2  0  0  0  0
 16 21  2  0  0  0  0
  5  6  2  0  0  0  0
 16 22  2  0  0  0  0
 11 12  1  0  0  0  0
 11 23  1  0  0  0  0
M  END
>  <Mol_ID> (5,839)
5839

>  <Formula> (5,839)
C15H13N3O3S2

>  <MolWeight> (5,839)
347.41202

>  <COMPOUND_NAME> (5,839)
SD-57881

>  <BAR_CODE_NO> (5,839)
90437390

$$$$
WAY-240291
csChFnd80/06171916332D

 31 34  0  0  0  0  0  0  0  0999 V2000
    7.8894    3.5064    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5706    5.6580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1113    4.1438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9253    5.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9330    4.4626    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.5706    2.1515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9330    6.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6941    1.1290    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.8456    1.6470    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7260    0.2392    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3979    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6048    4.2634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3863    3.5064    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7698    8.0884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3946    3.6258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7892    3.8784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6048    7.0658    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9479    6.4284    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1003    2.9884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7018    5.3392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6922    2.7892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3734    5.1534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1322    9.3637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1113    8.0223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2441   10.4394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8817    9.2441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8360   10.5191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0674   11.5948    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6602    2.2312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1422    5.0204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9  6  2  0  0  0  0
 10  9  1  0  0  0  0
 11  8  1  0  0  0  0
 12  5  1  0  0  0  0
 13  3  2  0  0  0  0
 14  7  1  0  0  0  0
 15 16  1  0  0  0  0
 16 22  2  0  0  0  0
 17  7  2  0  0  0  0
 18  4  1  0  0  0  0
 19 12  1  0  0  0  0
 20 12  2  0  0  0  0
 21 19  2  0  0  0  0
 22 20  1  0  0  0  0
 23 14  1  0  0  0  0
 24 14  2  0  0  0  0
 25 26  2  0  0  0  0
 26 24  1  0  0  0  0
 27 23  2  0  0  0  0
 28 25  1  0  0  0  0
 29 15  1  0  0  0  0
 30 15  1  0  0  0  0
 31 15  1  0  0  0  0
  2  4  2  0  0  0  0
 11 10  2  0  0  0  0
 21 16  1  0  0  0  0
 27 25  1  0  0  0  0
M  END
>  <Mol_ID> (5,840)
5840

>  <Formula> (5,840)
C23H20FN3O3S

>  <MolWeight> (5,840)
437.4866032

>  <COMPOUND_NAME> (5,840)
WAY-240291

>  <BAR_CODE_NO> (5,840)
90437380

$$$$
WAY-309675
csChFnd80/06171916332D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -1.7500    0.4708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5958    0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2125   -0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5500   -0.9875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9125   -0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3958   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3667    1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3500   -0.0292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1333    1.0333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6667    2.1708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9042    0.7333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1875    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9500    1.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0500    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7875    0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3500    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500   -0.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1667   -0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7125   -1.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4292   -2.1667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6292   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8875   -1.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0958   -1.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5500   -2.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  9  1  0  0  0  0
  8  3  1  0  0  0  0
  9 13  2  0  0  0  0
 10  2  2  0  0  0  0
 11  7  2  0  0  0  0
 12  7  1  0  0  0  0
 13 18  1  0  0  0  0
 14 17  2  0  0  0  0
 15  8  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 16  2  0  0  0  0
 19  5  1  0  0  0  0
 20 23  1  0  0  0  0
 21  6  1  0  0  0  0
 22 24  1  0  0  0  0
 23 12  1  0  0  0  0
 24 20  1  0  0  0  0
 25 19  2  0  0  0  0
 26 21  2  0  0  0  0
  6  5  2  0  0  0  0
 26 25  1  0  0  0  0
  9 14  1  0  0  0  0
M  END
>  <Mol_ID> (5,841)
5841

>  <Formula> (5,841)
C19H19N3O3S

>  <MolWeight> (5,841)
369.43746

>  <COMPOUND_NAME> (5,841)
WAY-309675

>  <BAR_CODE_NO> (5,841)
90439087

$$$$
WAY-320694
csChFnd80/06171916332D

 34 38  0  0  0  0  0  0  0  0999 V2000
   -1.0125    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1333    1.1000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.3333   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5958    1.6708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000    0.2333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542    0.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3833    1.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1792    1.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542    1.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5542    1.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6958   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4500    1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9000    0.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6625    0.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9583    1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6833    2.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3000    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9000    2.5208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000    2.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3708    0.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    1.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4708    2.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333   -0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1583    0.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7333    1.7833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6958   -0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0125   -1.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7792    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6500    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9125    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3875   -0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0792   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8792   -0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  2  1  0  0  0  0
  8  4  1  0  0  0  0
  9 12  1  0  0  0  0
 10  9  1  0  0  0  0
 11  1  1  0  0  0  0
 12  6  2  0  0  0  0
 13  7  2  0  0  0  0
 14 13  1  0  0  0  0
 15 22  1  0  0  0  0
 16  7  1  0  0  0  0
 17 19  1  0  0  0  0
 18 10  2  0  0  0  0
 19  8  2  0  0  0  0
 20 11  2  0  0  0  0
 21 10  1  0  0  0  0
 22 16  2  0  0  0  0
 23  3  1  0  0  0  0
 24 14  1  0  0  0  0
 25 15  1  0  0  0  0
 26 11  1  0  0  0  0
 27 26  1  0  0  0  0
 28 21  2  0  0  0  0
 29 21  1  0  0  0  0
 30 24  1  0  0  0  0
 31 30  1  0  0  0  0
 32 29  2  0  0  0  0
 33 28  1  0  0  0  0
 34 32  1  0  0  0  0
 27 23  1  0  0  0  0
  8  6  1  0  0  0  0
 15 14  2  0  0  0  0
 17  9  2  0  0  0  0
 34 33  2  0  0  0  0
M  END
>  <Mol_ID> (5,842)
5842

>  <Formula> (5,842)
C28H26N2O4

>  <MolWeight> (5,842)
454.51704

>  <COMPOUND_NAME> (5,842)
WAY-320694

>  <BAR_CODE_NO> (5,842)
295695

$$$$
WAY-320705
csChFnd80/06171916332D

 27 29  0  0  0  0  0  0  0  0999 V2000
    2.9167   -4.1917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9250   -4.9125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2417   -5.1375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8167   -4.5542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2375   -3.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1625   -3.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5917   -3.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9000   -4.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0875   -2.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8167   -3.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3292   -4.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6667   -4.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4250   -2.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4875   -3.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3500   -1.6417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4000   -3.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1375   -4.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2042   -2.4917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8542   -2.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4042   -5.4667    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.6292   -2.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3917   -3.2042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0917   -4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9792   -2.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7167   -3.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4417   -4.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3167   -2.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6  9  1  0  0  0  0
  7  6  2  0  0  0  0
  8 10  2  0  0  0  0
  9 13  1  0  0  0  0
 10  6  1  0  0  0  0
 11  8  1  0  0  0  0
 12  7  1  0  0  0  0
 13 19  1  0  0  0  0
 14  1  1  0  0  0  0
 15 13  2  0  0  0  0
 16 14  1  0  0  0  0
 17 14  2  0  0  0  0
 18 21  1  0  0  0  0
 19 18  1  0  0  0  0
 20 11  1  0  0  0  0
 21 25  2  0  0  0  0
 22 10  1  0  0  0  0
 23 12  1  0  0  0  0
 24 16  2  0  0  0  0
 25 17  1  0  0  0  0
 26 23  1  0  0  0  0
 27 22  1  0  0  0  0
  4  3  1  0  0  0  0
 24 21  1  0  0  0  0
 12 11  2  0  0  0  0
M  END
>  <Mol_ID> (5,843)
5843

>  <Formula> (5,843)
C17H16ClN5O4

>  <MolWeight> (5,843)
389.79304

>  <COMPOUND_NAME> (5,843)
WAY-320705

>  <BAR_CODE_NO> (5,843)
295706

$$$$
WAY-320706
csChFnd80/06171916332D

 23 25  0  0  0  0  0  0  0  0999 V2000
    2.0542    0.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1542   -0.0917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1292    0.5958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417    0.7958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6792   -1.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3542    0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -1.8500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2167   -2.1042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0167   -0.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3042   -1.0375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.9292   -1.0042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042   -0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8167   -1.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6375   -1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0625    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6875   -0.6542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8042   -1.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208   -1.1167    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6  8  1  0  0  0  0
  7  1  1  0  0  0  0
  8 13  1  0  0  0  0
  9  6  2  0  0  0  0
 10  7  2  0  0  0  0
 11  2  1  0  0  0  0
 12  6  1  0  0  0  0
 13 21  1  0  0  0  0
 14 10  1  0  0  0  0
 15  9  1  0  0  0  0
 16 12  1  0  0  0  0
 17  7  1  0  0  0  0
 18 20  1  0  0  0  0
 19 13  2  0  0  0  0
 20 17  2  0  0  0  0
 21 11  1  0  0  0  0
 22 14  1  0  0  0  0
 23 18  1  0  0  0  0
  3  4  1  0  0  0  0
 18 14  2  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <Mol_ID> (5,844)
5844

>  <Formula> (5,844)
C13H11ClN6OS2

>  <MolWeight> (5,844)
366.84904

>  <COMPOUND_NAME> (5,844)
WAY-320706

>  <BAR_CODE_NO> (5,844)
295707

$$$$
WAY-321131
csChFnd80/06171916332D

 18 19  0  0  0  0  0  0  0  0999 V2000
    8.3542   -3.2875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1042   -4.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000   -2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2792   -4.0667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.0292   -3.2875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.2500   -3.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6292   -3.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8500   -3.3292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5875   -4.7375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6875   -1.9667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2292   -3.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8000   -4.3792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4500   -3.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8375   -4.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0542   -3.9167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -5.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4042   -4.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0042   -4.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  2  2  0  0  0  0
 10  3  2  0  0  0  0
 11  8  1  0  0  0  0
 12  7  2  0  0  0  0
 13 11  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 17  2  0  0  0  0
 17 11  1  0  0  0  0
 18 16  1  0  0  0  0
  4  5  1  0  0  0  0
 18 14  2  0  0  0  0
M  END
>  <Mol_ID> (5,845)
5845

>  <Formula> (5,845)
C11H10N2O4S

>  <MolWeight> (5,845)
266.2731

>  <COMPOUND_NAME> (5,845)
WAY-321131

>  <BAR_CODE_NO> (5,845)
296132

$$$$
WAY-321132
csChFnd80/06171916332D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -0.8931    1.4388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1173    1.4388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7413    0.4905    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7413    2.3768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.4319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.4457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8413    0.8457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8413    2.0181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8621    0.4319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1173   -0.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8621    2.4457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8551    0.2630    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8551    2.6009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4414   -0.5750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4414    1.4388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8551    0.8457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8551    2.0181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8621   -1.5819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4414   -2.5888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   -1.5819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6000   -2.7026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9690   -3.6543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8345   -3.8439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8311   -4.4267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  2  0  0  0  0
 14 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
  7  8  2  0  0  0  0
 11 15  2  0  0  0  0
 16 17  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (5,846)
5846

>  <Formula> (5,846)
C18H13N3O3

>  <MolWeight> (5,846)
319.31412

>  <COMPOUND_NAME> (5,846)
WAY-321132

>  <BAR_CODE_NO> (5,846)
296133

$$$$
WAY-320726
csChFnd80/06171916332D

 32 36  0  0  0  0  0  0  0  0999 V2000
    1.0292   -2.6542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7042   -3.0375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958    0.7833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3667   -2.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500   -0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958    0.0208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500    1.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3125    0.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5292   -1.9167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3125    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3500   -2.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500   -1.1375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0500   -3.0375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6500   -3.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4042   -1.9792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2875   -1.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6042   -2.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500    1.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3500   -1.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333   -2.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958   -1.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958   -2.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333   -1.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9708    1.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9708   -0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958    2.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3125    2.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6333    0.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6333    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3125    3.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958    3.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500    3.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  6  1  0  0  0  0
  4  2  1  0  0  0  0
  5 12  1  0  0  0  0
  6  5  2  0  0  0  0
  7  8  1  0  0  0  0
  8 10  2  0  0  0  0
  9  4  2  0  0  0  0
 10  5  1  0  0  0  0
 11  1  1  0  0  0  0
 12 21  1  0  0  0  0
 13  4  1  0  0  0  0
 14  1  2  0  0  0  0
 15  1  2  0  0  0  0
 16  9  1  0  0  0  0
 17 13  1  0  0  0  0
 18  7  1  0  0  0  0
 19 11  2  0  0  0  0
 20 11  1  0  0  0  0
 21 22  1  0  0  0  0
 22 20  2  0  0  0  0
 23 19  1  0  0  0  0
 24  8  1  0  0  0  0
 25 10  1  0  0  0  0
 26 18  2  0  0  0  0
 27 18  1  0  0  0  0
 28 29  1  0  0  0  0
 29 25  2  0  0  0  0
 30 27  2  0  0  0  0
 31 26  1  0  0  0  0
 32 30  1  0  0  0  0
 23 21  2  0  0  0  0
 16 17  2  0  0  0  0
  3  7  2  0  0  0  0
 24 28  2  0  0  0  0
 32 31  2  0  0  0  0
M  END
>  <Mol_ID> (5,847)
5847

>  <Formula> (5,847)
C23H17N5O2S2

>  <MolWeight> (5,847)
459.54338

>  <COMPOUND_NAME> (5,847)
WAY-320726

>  <BAR_CODE_NO> (5,847)
295727

$$$$
WAY-320736
csChFnd80/06171916332D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -1.2000   -3.7375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8833   -3.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4458   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542   -3.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042   -2.7375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667   -3.7667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5458   -3.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2833   -4.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1875   -4.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8375   -2.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208   -3.4792    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4167   -4.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.1000   -3.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8833   -2.4167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9625   -5.1667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042   -4.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3167   -2.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8208   -5.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3500   -3.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500   -2.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9792   -1.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1375   -2.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6333   -4.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9000   -4.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6167   -1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4542   -0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2875   -0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  6  1  0  0  0  0
  5  4  2  0  0  0  0
  6  9  1  0  0  0  0
  7  2  1  0  0  0  0
  8  3  1  0  0  0  0
  9 11  1  0  0  0  0
 10  5  1  0  0  0  0
 11  1  1  0  0  0  0
 12  4  1  0  0  0  0
 13 12  1  0  0  0  0
 14  2  2  0  0  0  0
 15  3  2  0  0  0  0
 16  9  2  0  0  0  0
 17 10  1  0  0  0  0
 18  8  1  0  0  0  0
 19  7  1  0  0  0  0
 20 11  1  0  0  0  0
 21 17  1  0  0  0  0
 22 17  2  0  0  0  0
 23 18  2  0  0  0  0
 24 19  2  0  0  0  0
 25 22  1  0  0  0  0
 26 21  2  0  0  0  0
 27 25  2  0  0  0  0
  8  7  2  0  0  0  0
 23 24  1  0  0  0  0
 10 13  2  0  0  0  0
 27 26  1  0  0  0  0
M  END
>  <Mol_ID> (5,848)
5848

>  <Formula> (5,848)
C20H15N3O3S

>  <MolWeight> (5,848)
377.4164

>  <COMPOUND_NAME> (5,848)
WAY-320736

>  <BAR_CODE_NO> (5,848)
295737

$$$$
WAY-320774
csChFnd80/06171916332D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -2.9625    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9625    1.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6958    0.4833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2833    0.3333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6958    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2833    1.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1458    1.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6125    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6125    1.5208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9125   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292    0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9333    0.3333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292   -0.4542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500    0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3833   -0.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0333    2.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0875    0.7208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9208    1.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6000   -1.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0958   -2.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3708   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8000    2.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2708    1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5958   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3125   -2.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0500   -3.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  2  0  0  0  0
  9  8  1  0  0  0  0
 10  3  1  0  0  0  0
 11 14  1  0  0  0  0
 12  8  1  0  0  0  0
 13 11  2  0  0  0  0
 14 12  1  0  0  0  0
 15 10  1  0  0  0  0
 16  5  1  0  0  0  0
 17 11  1  0  0  0  0
 18  7  1  0  0  0  0
 19 15  1  0  0  0  0
 20 19  1  0  0  0  0
 21 19  2  0  0  0  0
 22 16  2  0  0  0  0
 23 18  2  0  0  0  0
 24 21  1  0  0  0  0
 25 20  2  0  0  0  0
 26 24  2  0  0  0  0
  7  5  2  0  0  0  0
  6  9  2  0  0  0  0
 23 22  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (5,849)
5849

>  <Formula> (5,849)
C19H16N4O2S

>  <MolWeight> (5,849)
364.42094

>  <COMPOUND_NAME> (5,849)
WAY-320774

>  <BAR_CODE_NO> (5,849)
295775

$$$$
WAY-320775
csChFnd80/06171916332D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -1.6458   -1.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4125   -1.7792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6458   -0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458   -1.9292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4125   -0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8708   -1.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458   -0.2875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208   -1.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208   -0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6833   -2.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9292   -1.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042   -1.9375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9292   -2.7542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167   -1.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4833   -2.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7625    0.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6375   -1.5292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7000   -1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7833   -3.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0458   -2.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5708    0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0500   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8458   -2.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5708   -3.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1125   -2.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  2  0  0  0  0
  9  8  1  0  0  0  0
 10  2  1  0  0  0  0
 11 14  1  0  0  0  0
 12  8  1  0  0  0  0
 13 11  2  0  0  0  0
 14 12  1  0  0  0  0
 15 10  1  0  0  0  0
 16  5  1  0  0  0  0
 17 11  1  0  0  0  0
 18  6  1  0  0  0  0
 19 15  1  0  0  0  0
 20 15  2  0  0  0  0
 21 16  2  0  0  0  0
 22 18  2  0  0  0  0
 23 20  1  0  0  0  0
 24 19  2  0  0  0  0
 25 23  2  0  0  0  0
  5  6  2  0  0  0  0
  7  9  2  0  0  0  0
 21 22  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (5,850)
5850

>  <Formula> (5,850)
C18H14N4O2S

>  <MolWeight> (5,850)
350.39436

>  <COMPOUND_NAME> (5,850)
WAY-320775

>  <BAR_CODE_NO> (5,850)
295776

$$$$
WAY-320784
csChFnd80/06171916332D

 29 32  0  0  0  0  0  0  0  0999 V2000
    0.1500   -0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958   -0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333   -0.0917    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.9958   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7875   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1500   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333   -1.4375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5500   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4875   -0.4500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4500    0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2875    0.7208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5500   -1.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042    1.0208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1333   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1333   -0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7875    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5500    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333    1.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8208    1.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8500    1.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9875   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000   -2.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2125   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5667    0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    0.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7542    1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  7  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  2  0  0  0  0
  7  6  1  0  0  0  0
  8  2  1  0  0  0  0
  9  5  1  0  0  0  0
 10  3  1  0  0  0  0
 11  9  1  0  0  0  0
 12 11  1  0  0  0  0
 13  4  1  0  0  0  0
 14 10  1  0  0  0  0
 15 13  1  0  0  0  0
 16  8  1  0  0  0  0
 17  5  2  0  0  0  0
 18  8  2  0  0  0  0
 19 10  2  0  0  0  0
 20 14  1  0  0  0  0
 21 19  1  0  0  0  0
 22 12  2  0  0  0  0
 23  6  1  0  0  0  0
 24 11  2  0  0  0  0
 25 15  1  0  0  0  0
 26 15  1  0  0  0  0
 27 24  1  0  0  0  0
 28 27  2  0  0  0  0
 29 22  1  0  0  0  0
  2  4  2  0  0  0  0
 21 20  2  0  0  0  0
 16 15  1  0  0  0  0
 22 28  1  0  0  0  0
M  END
>  <Mol_ID> (5,851)
5851

>  <Formula> (5,851)
C23H25N3O2S

>  <MolWeight> (5,851)
407.5285

>  <COMPOUND_NAME> (5,851)
WAY-320784

>  <BAR_CODE_NO> (5,851)
295785

$$$$
WAY-320791
csChFnd80/06171916332D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -1.2037   -0.1178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2037   -0.5730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8037    0.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6037    0.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8037   -0.8178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6037   -0.8178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4037   -0.1178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0037   -0.1178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4037   -0.5730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0037   -0.5730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0037    0.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0037   -0.8178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3963   -0.0972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0037    0.6028    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7963    0.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1963   -0.0972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7963    0.6028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6169    0.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1963    0.8442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6169    0.6028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0169    0.8304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4169    0.6028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  9 12  2  0  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (5,852)
5852

>  <Formula> (5,852)
C17H12O5

>  <MolWeight> (5,852)
296.27418

>  <COMPOUND_NAME> (5,852)
WAY-320791

>  <BAR_CODE_NO> (5,852)
295792

$$$$
WAY-320836
csChFnd80/06171916332D

 35 39  0  0  0  0  0  0  0  0999 V2000
   -0.8958   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958    0.4500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.3958   -0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5958    0.8708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1500   -0.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5500    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042    0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6958    0.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333    0.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1500    0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3500    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4708    0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292    0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958   -0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9125    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7708    1.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8875    0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292    1.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042    1.4458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2500    1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9125   -0.1167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0500    0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2708    0.8125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958   -0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5708    1.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8125   -0.3292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958   -0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8958   -1.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6292    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2125    2.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3958   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0875   -0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9292    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6667   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  5  1  0  0  0  0
  8 11  1  0  0  0  0
  9  4  1  0  0  0  0
 10 17  2  0  0  0  0
 11 16  2  0  0  0  0
 12 15  1  0  0  0  0
 13 10  1  0  0  0  0
 14  1  1  0  0  0  0
 15  6  2  0  0  0  0
 16  6  1  0  0  0  0
 17  7  1  0  0  0  0
 18 20  2  0  0  0  0
 19 13  2  0  0  0  0
 20  9  1  0  0  0  0
 21 14  2  0  0  0  0
 22 13  1  0  0  0  0
 23  8  1  0  0  0  0
 24  3  1  0  0  0  0
 25 11  1  0  0  0  0
 26 12  1  0  0  0  0
 27 14  1  0  0  0  0
 28 27  1  0  0  0  0
 29 22  2  0  0  0  0
 30 22  1  0  0  0  0
 31 25  1  0  0  0  0
 32 26  1  0  0  0  0
 33 30  2  0  0  0  0
 34 29  1  0  0  0  0
 35 33  1  0  0  0  0
 24 28  1  0  0  0  0
  9  7  2  0  0  0  0
 12  8  2  0  0  0  0
 18 10  1  0  0  0  0
 34 35  2  0  0  0  0
M  END
>  <Mol_ID> (5,853)
5853

>  <Formula> (5,853)
C28H26N2O5

>  <MolWeight> (5,853)
470.51644

>  <COMPOUND_NAME> (5,853)
WAY-320836

>  <BAR_CODE_NO> (5,853)
295837

$$$$
WAY-320843
csChFnd80/06171916332D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -0.4844    0.3960    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5156   -1.6940    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8156   -2.0440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9756   -2.8440    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7756   -2.9440    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1844    0.7560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1656    0.7160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5044   -0.4140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0656   -2.1940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1256   -1.6440    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3656    1.4660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3444    1.5460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1256   -0.8440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1944   -0.7940    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0844    2.0960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8344    2.1360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6656   -0.8440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7756    0.1660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7744    0.2060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1156    1.7160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0844    1.7960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5256    0.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5244    0.4560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7144    1.2460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7156    1.1960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3 10  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  1  1  0  0  0  0
  8  1  1  0  0  0  0
  9  2  1  0  0  0  0
 10 13  1  0  0  0  0
 11  7  1  0  0  0  0
 12  6  2  0  0  0  0
 13  8  1  0  0  0  0
 14  8  2  0  0  0  0
 15 11  1  0  0  0  0
 16 12  1  0  0  0  0
 17  2  1  0  0  0  0
 18  7  2  0  0  0  0
 19  6  1  0  0  0  0
 20 11  2  0  0  0  0
 21 12  1  0  0  0  0
 22 18  1  0  0  0  0
 23 19  2  0  0  0  0
 24 23  1  0  0  0  0
 25 22  2  0  0  0  0
 16 15  1  0  0  0  0
 20 25  1  0  0  0  0
 24 21  2  0  0  0  0
  5  9  2  0  0  0  0
M  END
>  <Mol_ID> (5,854)
5854

>  <Formula> (5,854)
C19H18N4OS

>  <MolWeight> (5,854)
350.43742

>  <COMPOUND_NAME> (5,854)
WAY-320843

>  <BAR_CODE_NO> (5,854)
295844

$$$$
WAY-320865
csChFnd80/06171916332D

 28 31  0  0  0  0  0  0  0  0999 V2000
    1.4755    0.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4755    0.8172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1858   -0.1655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8237   -0.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1858    1.0448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8237    1.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6306    0.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1755    0.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1755    0.8172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3824    0.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4763   -0.3069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7479   -0.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7582    1.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1245    0.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4996   -0.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5065    1.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7763   -0.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1245    0.8172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8824    0.4414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4245    0.0655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0763   -0.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0763   -1.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7245    0.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7245   -1.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4245   -1.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3763   -0.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3763   -1.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0245   -1.4345    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 23 26  2  0  0  0  0
 24 27  2  0  0  0  0
 27 28  1  0  0  0  0
  5  7  1  0  0  0  0
  8  9  2  0  0  0  0
 16 19  2  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (5,855)
5855

>  <Formula> (5,855)
C21H16ClN3O3

>  <MolWeight> (5,855)
393.82304

>  <COMPOUND_NAME> (5,855)
WAY-320865

>  <BAR_CODE_NO> (5,855)
295866

$$$$
WAY-320884
csChFnd80/06171916332D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -1.2625   -0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2625   -1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0833    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5833   -0.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542   -0.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0833   -1.3292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208   -1.4875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542   -1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792    1.5125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0167    1.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4458   -0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208    1.1125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5792    1.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667    1.5333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8833   -1.3875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3833    0.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8833    0.1333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042    2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000    1.5000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5500    2.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3167    2.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0042    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  7  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  5  1  0  0  0  0
 10 11  1  0  0  0  0
 11 13  1  0  0  0  0
 12  4  1  0  0  0  0
 13  5  1  0  0  0  0
 14  7  2  0  0  0  0
 15 10  1  0  0  0  0
 16 11  2  0  0  0  0
 17 12  2  0  0  0  0
 18  3  1  0  0  0  0
 19 12  1  0  0  0  0
 20 10  1  0  0  0  0
 21 15  1  0  0  0  0
 22 20  1  0  0  0  0
 23 22  1  0  0  0  0
 24 21  1  0  0  0  0
  4  6  1  0  0  0  0
  9  8  2  0  0  0  0
 23 21  1  0  0  0  0
M  END
>  <Mol_ID> (5,856)
5856

>  <Formula> (5,856)
C16H19N3O4S

>  <MolWeight> (5,856)
349.40476

>  <COMPOUND_NAME> (5,856)
WAY-320884

>  <BAR_CODE_NO> (5,856)
295885

$$$$
WAY-320903
csChFnd80/06171916332D

 26 29  0  0  0  0  0  0  0  0999 V2000
    7.4625   -4.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7500   -4.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0417   -4.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4542   -3.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0292   -3.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9000   -2.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7375   -3.2542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1792   -4.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1792   -2.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3250   -3.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9125   -3.2750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3250   -4.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4292   -2.3917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6167   -3.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7500   -5.6792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8875   -4.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0792   -1.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6042   -2.0250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8667   -1.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667   -1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6167   -4.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8875   -3.6375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.1792   -5.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6042   -4.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8917   -6.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6042   -5.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  2  0  0  0  0
  5  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  4  1  0  0  0  0
  8  1  1  0  0  0  0
  9  6  1  0  0  0  0
 10  5  2  0  0  0  0
 11 14  1  0  0  0  0
 12  3  2  0  0  0  0
 13  9  1  0  0  0  0
 14 10  1  0  0  0  0
 15  2  2  0  0  0  0
 16  8  1  0  0  0  0
 17  9  2  0  0  0  0
 18  6  2  0  0  0  0
 19 13  1  0  0  0  0
 20 17  1  0  0  0  0
 21 12  1  0  0  0  0
 22 16  1  0  0  0  0
 23  8  2  0  0  0  0
 24 16  2  0  0  0  0
 25 23  1  0  0  0  0
 26 25  2  0  0  0  0
  3  5  1  0  0  0  0
 26 24  1  0  0  0  0
 21 14  2  0  0  0  0
 20 19  2  0  0  0  0
M  END
>  <Mol_ID> (5,857)
5857

>  <Formula> (5,857)
C20H11ClO5

>  <MolWeight> (5,857)
366.75134

>  <COMPOUND_NAME> (5,857)
WAY-320903

>  <BAR_CODE_NO> (5,857)
295904

$$$$
WAY-320905
csChFnd80/06171916332D

 35 39  0  0  0  0  0  0  0  0999 V2000
    5.7292    3.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9167    2.5208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5875    4.4292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2792    2.9333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1292    3.6333    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.9375    4.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5375    3.0333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8875    2.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2792    4.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9167    4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3000    1.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3917    5.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2542    6.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3792    7.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4167    2.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3542    6.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6792    6.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3167    0.1833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7000    4.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8167    5.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2375    8.7542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8000    7.5917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6500    0.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042    0.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542    2.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4667    7.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7542    6.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4000    9.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1042    7.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3875    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9375    8.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2167    7.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292    0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2875    8.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  8  1  0  0  0  0
  8  1  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
 11  2  1  0  0  0  0
 12  9  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15  7  1  0  0  0  0
 16  6  1  0  0  0  0
 17 20  2  0  0  0  0
 18 11  2  0  0  0  0
 19 12  2  0  0  0  0
 20 19  1  0  0  0  0
 21 14  1  0  0  0  0
 22 17  1  0  0  0  0
 23 11  1  0  0  0  0
 24 15  1  0  0  0  0
 25 15  2  0  0  0  0
 26 16  2  0  0  0  0
 27 16  1  0  0  0  0
 28 21  1  0  0  0  0
 29 22  1  0  0  0  0
 30 25  1  0  0  0  0
 31 24  2  0  0  0  0
 32 26  1  0  0  0  0
 33 27  2  0  0  0  0
 34 30  2  0  0  0  0
 35 33  1  0  0  0  0
  7  3  1  0  0  0  0
  9  4  2  0  0  0  0
 32 35  2  0  0  0  0
 34 31  1  0  0  0  0
 17 14  1  0  0  0  0
M  END
>  <Mol_ID> (5,858)
5858

>  <Formula> (5,858)
C28H26N4O3

>  <MolWeight> (5,858)
466.53104

>  <COMPOUND_NAME> (5,858)
WAY-320905

>  <BAR_CODE_NO> (5,858)
295906

$$$$
WAY-320943
csChFnd80/06171916332D

 26 30  0  0  0  0  0  0  0  0999 V2000
    1.2066   -2.4175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1175   -2.7175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8514   -1.2831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9031   -3.5555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2417   -4.0555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3313   -2.2313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1825   -0.1072    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1825   -1.2451    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9894   -4.5451    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.2273   -3.5555    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4796   -4.3555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1796   -3.2520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8514    1.0307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1175   -0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8687   -2.4175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1825    2.1687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8072    0.9963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1486    2.1445    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8417    3.2825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1796    3.2825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1865    4.4031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8072    4.4031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8072    2.0963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8417    5.5756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1796    5.5376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1796    0.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  2  0  0  0  0
 22 25  2  0  0  0  0
 23 26  1  0  0  0  0
  5  9  1  0  0  0  0
 10 15  2  0  0  0  0
 11 12  1  0  0  0  0
 17 18  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (5,859)
5859

>  <Formula> (5,859)
C20H22N4OS

>  <MolWeight> (5,859)
366.47988

>  <COMPOUND_NAME> (5,859)
WAY-320943

>  <BAR_CODE_NO> (5,859)
295944

$$$$
WAY-320951
csChFnd80/06171916332D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -2.3029    0.1135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1443    0.0273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7409   -0.4727    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8788    0.8031    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5788   -0.6693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7029    0.6204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9685   -0.1486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0512    0.6411    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3892   -0.5072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4788    0.2894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2271   -0.5589    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4971   -0.1486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2350   -0.5589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9591   -0.1486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2212   -1.3693    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7074   -0.5589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9591    0.6411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4350   -0.1589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6971    1.0411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4350    0.6411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1591   -0.5589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1591    1.0411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 20 22  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (5,860)
5860

>  <Formula> (5,860)
C14H11N3O4S

>  <MolWeight> (5,860)
317.31984

>  <COMPOUND_NAME> (5,860)
WAY-320951

>  <BAR_CODE_NO> (5,860)
295952

$$$$
WAY-320990-A
csChFnd80/06171916332D

 17 19  0  0  0  0  0  0  0  0999 V2000
    3.1167   -1.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6792   -1.4542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.7042   -0.7042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1167   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5042   -2.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3875   -1.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4542   -1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4042   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7000    0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4542    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0500   -2.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7875   -2.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8167   -1.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8167   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6167   -3.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8792   -3.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1542   -3.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  6  1  0  0  0  0
  4  1  2  0  0  0  0
  5  2  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  9  1  0  0  0  0
  9  4  1  0  0  0  0
 10  4  1  0  0  0  0
 11  5  2  0  0  0  0
 12  5  1  0  0  0  0
 13  7  2  0  0  0  0
 14 13  1  0  0  0  0
 15 12  2  0  0  0  0
 16 11  1  0  0  0  0
 17 15  1  0  0  0  0
 14 10  2  0  0  0  0
  3  8  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (5,861)
5861

>  <Formula> (5,861)
C16H17N

>  <MolWeight> (5,861)
223.31288

>  <COMPOUND_NAME> (5,861)
WAY-320990-A

>  <BAR_CODE_NO> (5,861)
295991

$$$$
WAY-320996
csChFnd80/06171916332D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -2.3708    0.1333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2833    0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3708    1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9125    0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5333    1.6458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9333   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708    0.9333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8625   -0.2000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542    0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167   -0.6292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7458   -1.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2708   -1.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0000   -0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5708   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8375    0.9208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208    0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5500   -1.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1958   -2.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667   -0.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6167   -0.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5667   -0.5500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2542   -1.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2167    0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1500    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1792   -1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8  6  1  0  0  0  0
  9 16  1  0  0  0  0
 10  9  1  0  0  0  0
 11  6  2  0  0  0  0
 12  8  1  0  0  0  0
 13  1  1  0  0  0  0
 14 11  1  0  0  0  0
 15  9  2  0  0  0  0
 16  7  1  0  0  0  0
 17 13  1  0  0  0  0
 18 17  2  0  0  0  0
 19 10  1  0  0  0  0
 20 24  1  0  0  0  0
 21 20  1  0  0  0  0
 22 19  2  0  0  0  0
 23 19  1  0  0  0  0
 24 23  2  0  0  0  0
 25 22  1  0  0  0  0
  5  3  1  0  0  0  0
 12 14  2  0  0  0  0
 25 20  2  0  0  0  0
M  END
>  <Mol_ID> (5,862)
5862

>  <Formula> (5,862)
C17H15ClN4OS2

>  <MolWeight> (5,862)
390.9102

>  <COMPOUND_NAME> (5,862)
WAY-320996

>  <BAR_CODE_NO> (5,862)
295997

$$$$
WAY-321002
csChFnd80/06171916332D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -0.4448    0.0510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1586   -0.3628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2655   -0.3628    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4448    0.8752    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1586   -1.1869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8724    0.0510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2655   -1.1869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2655    1.2855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4448   -1.6007    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8724   -1.6007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5966   -0.3628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9862   -1.6007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2655    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5966   -1.1869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7000   -1.1869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9862   -2.4283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9793    2.5338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4517    2.5338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4172   -1.6007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7000   -2.8421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9793    3.3579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4517    3.3579    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4172   -2.4283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2655    3.7717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
 10 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  2  0  0  0  0
 13 18  1  0  0  0  0
 15 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  2  0  0  0  0
 19 23  1  0  0  0  0
 21 24  2  0  0  0  0
  7  9  2  0  0  0  0
 11 14  2  0  0  0  0
 20 23  2  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <Mol_ID> (5,863)
5863

>  <Formula> (5,863)
C20H16N4

>  <MolWeight> (5,863)
312.36784

>  <COMPOUND_NAME> (5,863)
WAY-321002

>  <BAR_CODE_NO> (5,863)
296003

$$$$
WAY-321022
csChFnd80/06171916332D

 26 29  0  0  0  0  0  0  0  0999 V2000
    0.6490   -0.1165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9615   -1.1415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4177   -0.1165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7593   -1.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3615    0.6710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4157    0.4377    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1073   -1.7665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0157   -1.3873    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7615   -0.5915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0657    1.7085    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1448    1.2335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0427    0.7335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7760   -1.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1907    1.0210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5427   -0.6873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6010    1.7168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1177    0.6460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0302   -2.4665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5365   -0.0082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8407    1.8252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5927   -0.9832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7385    1.5043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2260    2.5918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0718   -2.7707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2885    2.5043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8468   -2.0165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7  2  1  0  0  0  0
  8  2  1  0  0  0  0
  9  6  1  0  0  0  0
 10  5  2  0  0  0  0
 11  6  1  0  0  0  0
 12  3  1  0  0  0  0
 13  4  1  0  0  0  0
 14 11  1  0  0  0  0
 15 13  1  0  0  0  0
 16 12  1  0  0  0  0
 17 12  2  0  0  0  0
 18 13  2  0  0  0  0
 19 14  1  0  0  0  0
 20 14  1  0  0  0  0
 21 15  2  0  0  0  0
 22 17  1  0  0  0  0
 23 16  2  0  0  0  0
 24 18  1  0  0  0  0
 25 23  1  0  0  0  0
 26 21  1  0  0  0  0
  7  4  1  0  0  0  0
  9  8  2  0  0  0  0
 25 22  2  0  0  0  0
 26 24  2  0  0  0  0
M  END
>  <Mol_ID> (5,864)
5864

>  <Formula> (5,864)
C22H21N3O

>  <MolWeight> (5,864)
343.42164

>  <COMPOUND_NAME> (5,864)
WAY-321022

>  <BAR_CODE_NO> (5,864)
296023

$$$$
WAY-321084
csChFnd80/06171916332D

 23 24  0  0  0  0  0  0  0  0999 V2000
   -2.9958   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7875    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500    0.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667    0.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5042   -1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7125   -1.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5042    0.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7125    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500    1.2708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667    1.2708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3500    0.0208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5333    0.0208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9958   -0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7875   -0.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2292    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4333   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1708    0.4208    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.9542    0.4458    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.2292   -0.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4333   -0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0958    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8125    0.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292    0.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  1  0  0  0  0
  4 11  1  0  0  0  0
  5 14  1  0  0  0  0
  6 13  2  0  0  0  0
  7  2  1  0  0  0  0
  8  1  2  0  0  0  0
  9  3  2  0  0  0  0
 10  4  2  0  0  0  0
 11 23  1  0  0  0  0
 12  3  1  0  0  0  0
 13  1  1  0  0  0  0
 14  2  2  0  0  0  0
 15  7  2  0  0  0  0
 16  8  1  0  0  0  0
 17 16  1  0  0  0  0
 18 15  1  0  0  0  0
 19  5  2  0  0  0  0
 20  6  1  0  0  0  0
 21 22  1  0  0  0  0
 22 12  1  0  0  0  0
 23 21  1  0  0  0  0
 20 16  2  0  0  0  0
 15 19  1  0  0  0  0
M  END
>  <Mol_ID> (5,865)
5865

>  <Formula> (5,865)
C15H14Br2N4O2

>  <MolWeight> (5,865)
442.10526

>  <COMPOUND_NAME> (5,865)
WAY-321084

>  <BAR_CODE_NO> (5,865)
296085

$$$$
WAY-321085
csChFnd80/06171916332D

 24 26  0  0  0  0  0  0  0  0999 V2000
    1.4275   -0.3935    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1827   -1.7521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1415   -0.3659    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2171    0.9237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3827   -3.0901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7309   -1.7659    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6346   -0.3659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1415    1.1237    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1346   -1.8659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4516    2.2824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1447   -4.4418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4965   -3.1038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3829    0.9237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3829   -1.6763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1035    2.2962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2516    3.6203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7068   -4.4556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8829    0.9237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8829   -1.6763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8691    3.6582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4689    4.9548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6415   -0.3659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0691    4.9789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1932   -0.3659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  3  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  2  0  0  0  0
  7 14  1  0  0  0  0
 10 15  2  0  0  0  0
 10 16  1  0  0  0  0
 11 17  1  0  0  0  0
 13 18  1  0  0  0  0
 14 19  2  0  0  0  0
 15 20  1  0  0  0  0
 16 21  2  0  0  0  0
 18 22  2  0  0  0  0
 20 23  2  0  0  0  0
 22 24  1  0  0  0  0
 12 17  2  0  0  0  0
 19 22  1  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (5,866)
5866

>  <Formula> (5,866)
C19H18N2O2S

>  <MolWeight> (5,866)
338.42342

>  <COMPOUND_NAME> (5,866)
WAY-321085

>  <BAR_CODE_NO> (5,866)
296086

$$$$
WAY-321090
csChFnd80/06171916332D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -1.4210   -0.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4210   -0.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7210    0.1138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0727    0.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0727   -1.2448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7210   -1.1034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2727   -0.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5037    0.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7210   -0.1345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0727    1.0138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7210   -0.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0727   -1.9931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2273    0.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3727    0.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3727   -1.2448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7273    0.4138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4790    1.7069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4790    0.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9790    0.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6963    0.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9273    0.8966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2273   -0.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6790    1.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9376   -0.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1790    0.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 11 15  2  0  0  0  0
 13 16  1  0  0  0  0
 13 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
  6  7  2  0  0  0  0
  9 11  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (5,867)
5867

>  <Formula> (5,867)
C17H19N5O3

>  <MolWeight> (5,867)
341.36446

>  <COMPOUND_NAME> (5,867)
WAY-321090

>  <BAR_CODE_NO> (5,867)
296091

$$$$
WAY-321091
csChFnd80/06171916332D

 22 24  0  0  0  0  0  0  0  0999 V2000
   12.8042    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8042    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1542   -0.0917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5042    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5042    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1542    1.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5500    1.2458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.5500    0.0208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.9667    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5000    2.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7542    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0000    1.5458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8542   -0.0917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1542    2.1333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7500    2.8208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1542   -0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8542    1.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000    0.4333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7542    0.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7500    1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2667    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2500    1.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  2  1  0  0  0  0
  8  1  1  0  0  0  0
  9  8  2  0  0  0  0
 10 11  1  0  0  0  0
 11  7  1  0  0  0  0
 12 10  1  0  0  0  0
 13  5  2  0  0  0  0
 14  6  2  0  0  0  0
 15 10  2  0  0  0  0
 16  3  1  0  0  0  0
 17  4  1  0  0  0  0
 18 22  1  0  0  0  0
 19 12  1  0  0  0  0
 20 12  1  0  0  0  0
 21 19  1  0  0  0  0
 22 20  1  0  0  0  0
  7  9  1  0  0  0  0
  6  4  1  0  0  0  0
 18 21  1  0  0  0  0
M  END
>  <Mol_ID> (5,868)
5868

>  <Formula> (5,868)
C13H17N5O4

>  <MolWeight> (5,868)
307.30518

>  <COMPOUND_NAME> (5,868)
WAY-321091

>  <BAR_CODE_NO> (5,868)
296092

$$$$
WAY-321187
csChFnd80/06171916332D

 28 30  0  0  0  0  0  0  0  0999 V2000
    3.2542   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2667   -2.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8542   -1.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5167   -1.3167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1000   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1000   -2.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167   -1.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8542    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8667   -2.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3500   -1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042   -2.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167    0.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0500   -2.7542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3542   -1.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5875   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667   -2.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3375    0.0958    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.3000   -3.4792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2542    0.8333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4708   -1.3500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.7667   -0.5875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.7500    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875   -4.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8542    1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4167    0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0167    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  2  0  0  0  0
  6  4  1  0  0  0  0
  7  3  1  0  0  0  0
  8  1  1  0  0  0  0
  9  2  1  0  0  0  0
 10  7  2  0  0  0  0
 11 10  1  0  0  0  0
 12 18  1  0  0  0  0
 13  7  1  0  0  0  0
 14  8  2  0  0  0  0
 15  9  2  0  0  0  0
 16  4  1  0  0  0  0
 17 23  1  0  0  0  0
 18 13  2  0  0  0  0
 19 11  1  0  0  0  0
 20  9  1  0  0  0  0
 21  8  1  0  0  0  0
 22 12  1  0  0  0  0
 23 16  1  0  0  0  0
 24 17  1  0  0  0  0
 25 20  1  0  0  0  0
 26 21  1  0  0  0  0
 27 23  1  0  0  0  0
 28 27  1  0  0  0  0
  2  6  2  0  0  0  0
 12 11  2  0  0  0  0
 24 28  1  0  0  0  0
M  END
>  <Mol_ID> (5,869)
5869

>  <Formula> (5,869)
C20H21Cl2NO5

>  <MolWeight> (5,869)
426.29044

>  <COMPOUND_NAME> (5,869)
WAY-321187

>  <BAR_CODE_NO> (5,869)
296188

$$$$
WAY-321188
csChFnd80/06171916332D

 27 29  0  0  0  0  0  0  0  0999 V2000
    2.2167   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2375   -2.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8167   -1.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4875   -1.3167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0542   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0542   -2.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8375   -2.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8167    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9875   -1.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667   -2.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042   -2.7542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0875    0.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3167   -1.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5500   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500   -2.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500   -3.4792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2167    0.8333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7292   -0.5875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.6625   -2.7875    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.5542   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7042    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6833   -1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8167    1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8500   -4.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3792    0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9875    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  2  0  0  0  0
  6  4  1  0  0  0  0
  7  2  1  0  0  0  0
  8  1  1  0  0  0  0
  9  3  1  0  0  0  0
 10  9  1  0  0  0  0
 11  7  2  0  0  0  0
 12  8  2  0  0  0  0
 13  4  1  0  0  0  0
 14 18  1  0  0  0  0
 15 10  2  0  0  0  0
 16  7  1  0  0  0  0
 17  8  1  0  0  0  0
 18 13  1  0  0  0  0
 19 15  1  0  0  0  0
 20  9  2  0  0  0  0
 21 20  1  0  0  0  0
 22 14  1  0  0  0  0
 23 21  2  0  0  0  0
 24 17  1  0  0  0  0
 25 16  1  0  0  0  0
 26 18  1  0  0  0  0
 27 26  1  0  0  0  0
  2  6  2  0  0  0  0
 15 23  1  0  0  0  0
 22 27  1  0  0  0  0
M  END
>  <Mol_ID> (5,870)
5870

>  <Formula> (5,870)
C20H22BrNO5

>  <MolWeight> (5,870)
436.29638

>  <COMPOUND_NAME> (5,870)
WAY-321188

>  <BAR_CODE_NO> (5,870)
296189

$$$$
WAY-321194
csChFnd80/06171916332D

 20 23  0  0  0  0  0  0  0  0999 V2000
   -0.9721   -0.2133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6411    0.2626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1928    0.0384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2307   -1.0133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3100   -0.2133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7307    1.0936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4796   -0.4374    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0589    0.8246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0549   -1.0133    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0687    0.1246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4790    1.4246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1451    0.0557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8831    0.8522    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1549    0.9384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9280   -0.2064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1037   -1.0133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5313    0.3522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8831   -1.2616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3176    0.1039    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5038   -0.6995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
 10 14  2  0  0  0  0
 12 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
  5  9  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (5,871)
5871

>  <Formula> (5,871)
C16H11N3S

>  <MolWeight> (5,871)
277.34364

>  <COMPOUND_NAME> (5,871)
WAY-321194

>  <BAR_CODE_NO> (5,871)
296195

$$$$
WAY-321198
csChFnd80/06171916332D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -2.7550    0.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7550    1.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5274   -0.5207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0826   -0.2483    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5274    2.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0826    2.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2412    0.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8998    0.9483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2412    1.6379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5274    3.7690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5860    3.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9830   -0.5207    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3550    1.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9830   -1.9345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2312   -2.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4588   -1.9345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2312   -4.1276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4588   -0.5207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6968   -2.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6968    0.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9209   -1.9345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9209   -0.5207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
  6  8  2  0  0  0  0
  7  9  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (5,872)
5872

>  <Formula> (5,872)
C14H17N3O3S2

>  <MolWeight> (5,872)
339.43308

>  <COMPOUND_NAME> (5,872)
WAY-321198

>  <BAR_CODE_NO> (5,872)
296199

$$$$
WAY-321202
csChFnd80/06171916332D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -0.7969    0.6895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5003    0.2826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7969    1.5343    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0831    0.2826    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5003   -0.5416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2210    0.6895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0831    1.9343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5003    1.9343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0831   -0.5416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7969   -0.9623    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2210   -0.9623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9348    0.2826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0831    2.7584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5003    2.7584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6376   -0.9623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9348   -0.5416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7969    3.1722    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6376   -1.7795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3549   -0.5416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7969    3.9895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3480   -2.2002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0652   -0.9623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0831    4.4101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0652   -1.7795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7997   -2.2002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7997   -3.0278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5031   -3.4485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5031   -4.2657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 11 16  1  0  0  0  0
 13 17  1  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  2  0  0  0  0
 20 23  1  0  0  0  0
 21 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
  9 10  2  0  0  0  0
 12 16  2  0  0  0  0
 14 17  1  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <Mol_ID> (5,873)
5873

>  <Formula> (5,873)
C23H28N4O

>  <MolWeight> (5,873)
376.49462

>  <COMPOUND_NAME> (5,873)
WAY-321202

>  <BAR_CODE_NO> (5,873)
296203

$$$$
WAY-321218
csChFnd80/06171916332D

 28 30  0  0  0  0  0  0  0  0999 V2000
    8.6374    8.5344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8496    8.2783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1211    7.8616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8937    9.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8496    7.4497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1360    8.6877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6374    7.1958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9449    7.8616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3405    9.9233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7006    9.4851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1360    7.0426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4200    8.2783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8937    6.4081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3544    7.1432    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5967   10.7088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4200    7.4497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7016    8.6877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1829    7.1432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9449    6.4392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0435   11.3218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7016    7.0426    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    8.2783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5900    6.4392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3544    5.7112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1829    5.7112    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5900    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4210    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2444    5.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 14 18  1  0  0  0  0
 14 19  1  0  0  0  0
 15 20  1  0  0  0  0
 16 21  1  0  0  0  0
 17 22  1  0  0  0  0
 18 23  1  0  0  0  0
 19 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  3  0  0  0  0
  5  7  1  0  0  0  0
 12 16  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (5,874)
5874

>  <Formula> (5,874)
C20H25BrN4O3

>  <MolWeight> (5,874)
449.3415

>  <COMPOUND_NAME> (5,874)
WAY-321218

>  <BAR_CODE_NO> (5,874)
296219

$$$$
WAY-321250
csChFnd80/06171916332D

 23 26  0  0  0  0  0  0  0  0999 V2000
   -0.3796   -0.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3796    0.5759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3480   -0.4241    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0451   -0.5621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0451    0.9552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3480    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7687    0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6796   -0.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6796    0.5759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5859    1.5241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5238    0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3451   -0.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3451    0.9552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9204   -0.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9204    0.8379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0003   -0.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0003    0.5759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3451    1.7034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6687   -0.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5238   -1.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0480   -1.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9204   -1.7966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6687   -1.7966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  2  0  0  0  0
 14 19  1  0  0  0  0
 14 20  2  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
 16 17  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (5,875)
5875

>  <Formula> (5,875)
C18H14N2O2S

>  <MolWeight> (5,875)
322.38096

>  <COMPOUND_NAME> (5,875)
WAY-321250

>  <BAR_CODE_NO> (5,875)
296251

$$$$
WAY-321257
csChFnd80/06171916332D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -1.9458    0.8458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1000    0.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4000   -0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9500   -1.0375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6125   -0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0708   -1.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833   -0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5958    1.8458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667   -1.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0542   -0.0792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208    1.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667   -1.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7208   -0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6125   -1.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9375   -0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5667   -1.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9042   -1.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2708   -1.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0375   -1.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7333   -1.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  3  1  0  0  0  0
  8  2  2  0  0  0  0
  9  7  2  0  0  0  0
 10 15  1  0  0  0  0
 11  1  1  0  0  0  0
 12  9  1  0  0  0  0
 13  5  1  0  0  0  0
 14  6  1  0  0  0  0
 15 12  2  0  0  0  0
 16 19  1  0  0  0  0
 17 12  1  0  0  0  0
 18 13  2  0  0  0  0
 19 17  2  0  0  0  0
 20 14  2  0  0  0  0
  5  6  2  0  0  0  0
 18 20  1  0  0  0  0
 16 10  2  0  0  0  0
M  END
>  <Mol_ID> (5,876)
5876

>  <Formula> (5,876)
C16H13N3O

>  <MolWeight> (5,876)
263.29392

>  <COMPOUND_NAME> (5,876)
WAY-321257

>  <BAR_CODE_NO> (5,876)
296258

$$$$
WAY-321259
csChFnd80/06171916332D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -0.0605    0.1733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3715    0.5843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5915    0.4373    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9835    0.4853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1015   -0.4057    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1135    1.1153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4775    1.0373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2085   -0.0697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3835    1.6643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3365   -0.8377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3675    0.9683    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9125   -0.6697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1775   -1.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1575    1.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3415   -1.1017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6065   -1.8247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1825   -1.6807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  2  0  0  0  0
  9  6  2  0  0  0  0
 10  5  1  0  0  0  0
 11  4  1  0  0  0  0
 12 10  1  0  0  0  0
 13 10  2  0  0  0  0
 14 11  1  0  0  0  0
 12 15  2  0  0  0  0
 16 13  1  0  0  0  0
 17 16  2  0  0  0  0
  7  6  1  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <Mol_ID> (5,877)
5877

>  <Formula> (5,877)
C12H11NO3S

>  <MolWeight> (5,877)
249.28564

>  <COMPOUND_NAME> (5,877)
WAY-321259

>  <BAR_CODE_NO> (5,877)
296260

$$$$
WAY-321329
csChFnd80/06171916332D

 33 37  0  0  0  0  0  0  0  0999 V2000
    2.8542   -2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4375   -2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167   -1.7000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.4375   -2.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8542   -2.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167   -3.3167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167   -0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5792   -1.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292   -2.9167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.6708   -3.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -3.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292   -2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7708   -4.1542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.3000   -2.0875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -0.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8542   -0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4458   -3.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5833   -4.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5792   -0.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9958   -3.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4667   -1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8500    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5792   -3.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0042   -1.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7167   -2.0875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.5542    0.8333    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4000   -0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3875    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0167   -2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167    0.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8042   -2.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6167   -3.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  6  1  0  0  0  0
  5  1  2  0  0  0  0
  6  5  1  0  0  0  0
  7  2  1  0  0  0  0
  8  3  1  0  0  0  0
  9  1  1  0  0  0  0
 10 12  1  0  0  0  0
 11 10  1  0  0  0  0
 12  4  1  0  0  0  0
 13  7  1  0  0  0  0
 14 11  1  0  0  0  0
 15  9  1  0  0  0  0
 16  7  2  0  0  0  0
 17  8  2  0  0  0  0
 18 11  2  0  0  0  0
 19 14  1  0  0  0  0
 20  9  2  0  0  0  0
 21 18  1  0  0  0  0
 22 26  1  0  0  0  0
 23 17  1  0  0  0  0
 24  5  1  0  0  0  0
 25 15  1  0  0  0  0
 26 25  1  0  0  0  0
 27 23  1  0  0  0  0
 28  8  1  0  0  0  0
 29 28  2  0  0  0  0
 30 22  1  0  0  0  0
 31 29  1  0  0  0  0
 32 26  1  0  0  0  0
 33 32  1  0  0  0  0
  4  2  2  0  0  0  0
 10 13  1  0  0  0  0
 23 31  2  0  0  0  0
 33 30  1  0  0  0  0
 21 19  2  0  0  0  0
M  END
>  <Mol_ID> (5,878)
5878

>  <Formula> (5,878)
C26H26ClNO4S

>  <MolWeight> (5,878)
484.00694

>  <COMPOUND_NAME> (5,878)
WAY-321329

>  <BAR_CODE_NO> (5,878)
296330

$$$$
WAY-321335
csChFnd80/06171916332D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -0.5071   -1.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5071   -2.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3140   -0.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3446   -0.9931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4067   -2.5103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3140   -2.7207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1416   -1.3207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3140    0.0931    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9343   -1.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1416   -2.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5071    0.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3067    0.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1067    0.5655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1067    1.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9239    1.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2929    1.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9239    2.9172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2929    2.9172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1067    3.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  6 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
  5  9  1  0  0  0  0
  7 10  2  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (5,879)
5879

>  <Formula> (5,879)
C13H12N4OS

>  <MolWeight> (5,879)
272.32558

>  <COMPOUND_NAME> (5,879)
WAY-321335

>  <BAR_CODE_NO> (5,879)
296336

$$$$
WAY-321338
csChFnd80/06171916332D

 21 24  0  0  0  0  0  0  0  0999 V2000
   -0.2994   -1.9968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2338   -1.4588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2994   -3.0726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7213   -1.6554    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2442   -0.3830    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1649   -1.9968    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7213   -3.4002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2338   -3.6106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3593   -2.5347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3028    0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1649   -3.0726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3166    1.2308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6248    1.7688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2338    1.7688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6248    2.8412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5420    1.2481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2442    2.8239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3166    3.3791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5386    3.3722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4662    1.7688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4558    2.8239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  2  0  0  0  0
 19 21  2  0  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
 17 18  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (5,880)
5880

>  <Formula> (5,880)
C16H12N4S

>  <MolWeight> (5,880)
292.35828

>  <COMPOUND_NAME> (5,880)
WAY-321338

>  <BAR_CODE_NO> (5,880)
296339

$$$$
WAY-321339
csChFnd80/06171916332D

 30 34  0  0  0  0  0  0  0  0999 V2000
    2.3375    0.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1167   -0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3625    1.1333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000    1.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9875   -0.9542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2125    2.4833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500    2.8833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9458    2.0833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000   -1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7375   -1.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5500    0.5958    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2042   -0.1542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8208    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6292    1.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5792   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4500   -2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9125    0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1958   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8500    2.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6875    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2542   -3.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2292   -3.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6500   -1.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3708   -0.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9792    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1042    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000    3.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7458   -1.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  5  1  0  0  0  0
  4  1  1  0  0  0  0
  5 12  1  0  0  0  0
  6  4  2  0  0  0  0
  7  5  2  0  0  0  0
  8  7  1  0  0  0  0
  9  3  1  0  0  0  0
 10  2  1  0  0  0  0
 11  6  1  0  0  0  0
 12 13  1  0  0  0  0
 13  4  1  0  0  0  0
 14  2  2  0  0  0  0
 15  3  1  0  0  0  0
 16  1  1  0  0  0  0
 17 10  1  0  0  0  0
 18 11  1  0  0  0  0
 19 15  2  0  0  0  0
 20 15  1  0  0  0  0
 21 16  1  0  0  0  0
 22 16  2  0  0  0  0
 23 17  2  0  0  0  0
 24 18  2  0  0  0  0
 25 20  2  0  0  0  0
 26 19  1  0  0  0  0
 27 22  1  0  0  0  0
 28 21  2  0  0  0  0
 29 27  2  0  0  0  0
 30 25  1  0  0  0  0
 11 10  2  0  0  0  0
 29 28  1  0  0  0  0
 24 23  1  0  0  0  0
  9  8  2  0  0  0  0
 30 26  2  0  0  0  0
M  END
>  <Mol_ID> (5,881)
5881

>  <Formula> (5,881)
C22H16N6OS

>  <MolWeight> (5,881)
412.46704

>  <COMPOUND_NAME> (5,881)
WAY-321339

>  <BAR_CODE_NO> (5,881)
296340

$$$$
WAY-321341
csChFnd80/06171916332D

 29 33  0  0  0  0  0  0  0  0999 V2000
   -0.5125    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6625    0.1958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458    2.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2125    3.0333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458   -0.8500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2125    1.1333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667    1.0833    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.9833   -0.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3000    2.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0625   -1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3000    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292    1.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4000    2.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9000    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0542    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6500    1.0708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1708   -1.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2833    3.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0625   -2.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2833    0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292   -0.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6292   -0.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8000    1.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2708    2.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2708    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1708   -2.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2125   -3.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9000   -1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0542   -1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3 13  1  0  0  0  0
  4  3  2  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  4  1  0  0  0  0
 10  5  1  0  0  0  0
 11  6  1  0  0  0  0
 12  7  1  0  0  0  0
 13  7  1  0  0  0  0
 14 12  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17  8  1  0  0  0  0
 18  9  1  0  0  0  0
 19 10  1  0  0  0  0
 20 11  1  0  0  0  0
 21 14  2  0  0  0  0
 22 15  2  0  0  0  0
 23 16  1  0  0  0  0
 24 18  2  0  0  0  0
 25 20  2  0  0  0  0
 26 17  2  0  0  0  0
 27 19  2  0  0  0  0
 28 21  1  0  0  0  0
 29 28  2  0  0  0  0
 10  8  2  0  0  0  0
 27 26  1  0  0  0  0
  9 11  2  0  0  0  0
 22 29  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (5,882)
5882

>  <Formula> (5,882)
C24H22N4O

>  <MolWeight> (5,882)
382.45768

>  <COMPOUND_NAME> (5,882)
WAY-321341

>  <BAR_CODE_NO> (5,882)
296342

$$$$
WAY-321344
csChFnd80/06171916332D

 20 21  0  0  0  0  0  0  0  0999 V2000
    0.8667   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0500   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3000    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3625   -0.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833   -0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1042    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042    1.2208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3000   -0.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3625    0.5333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000   -1.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000   -2.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3292    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042   -0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4208   -1.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6208   -3.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4208   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3500   -0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8458   -0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  3  1  0  0  0  0
  7  6  2  0  0  0  0
  8  1  2  0  0  0  0
  9  2  2  0  0  0  0
 10  5  2  0  0  0  0
 11 10  1  0  0  0  0
 12  5  1  0  0  0  0
 13  7  1  0  0  0  0
 14  6  1  0  0  0  0
 15 10  1  0  0  0  0
 16 11  1  0  0  0  0
 17 19  1  0  0  0  0
 18 12  2  0  0  0  0
 19 14  2  0  0  0  0
 20 18  1  0  0  0  0
 17 13  2  0  0  0  0
 15 20  2  0  0  0  0
M  END
>  <Mol_ID> (5,883)
5883

>  <Formula> (5,883)
C14H13N3O3

>  <MolWeight> (5,883)
271.27132

>  <COMPOUND_NAME> (5,883)
WAY-321344

>  <BAR_CODE_NO> (5,883)
296345

$$$$
WAY-321364
csChFnd80/06171916332D

 28 31  0  0  0  0  0  0  0  0999 V2000
    2.1032   -0.3140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2895   -0.3278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5929   -0.9968    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5894    0.3515    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8894   -1.0485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8894    0.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3894   -0.7485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3894    0.1032    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0411   -1.0485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0376    0.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0412   -1.2002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3624   -0.3278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0412   -2.0485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8377   -0.9485    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1969   -0.3278    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8377   -2.2968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3169   -1.6002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6106    0.3860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4313    0.3722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2072    1.1032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8589    1.0998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6624    1.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0831    1.8032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0831    0.3722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9106    1.8032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6624    2.5032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9072    0.3515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3106    1.0860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
 24 27  2  0  0  0  0
 25 28  2  0  0  0  0
  7  8  2  0  0  0  0
 10 12  2  0  0  0  0
 16 17  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (5,884)
5884

>  <Formula> (5,884)
C21H17N3O4

>  <MolWeight> (5,884)
375.37738

>  <COMPOUND_NAME> (5,884)
WAY-321364

>  <BAR_CODE_NO> (5,884)
296365

$$$$
WAY-321366
csChFnd80/06171916332D

 27 30  0  0  0  0  0  0  0  0999 V2000
    1.7105    0.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0209    0.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4830    0.2828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7416    1.4034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0795   -0.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2830    0.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9968    0.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5312    1.6276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3968   -1.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4032    0.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8209    0.8966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3446   -0.7966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2968    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3312    1.5517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0308   -1.2552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0830    0.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1105    1.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7791   -0.8828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4584   -1.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8274   -0.0586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2032   -0.9793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8826   -1.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2515   -0.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6205   -1.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9895    0.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6791   -0.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4170    0.1172    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
  7  8  2  0  0  0  0
 10 12  2  0  0  0  0
 16 17  2  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <Mol_ID> (5,885)
5885

>  <Formula> (5,885)
C20H14ClN3O3

>  <MolWeight> (5,885)
379.79646

>  <COMPOUND_NAME> (5,885)
WAY-321366

>  <BAR_CODE_NO> (5,885)
296367

$$$$
WAY-321400
csChFnd80/06171916332D

 29 33  0  0  0  0  0  0  0  0999 V2000
   -2.1654    0.2895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1654   -1.1726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3758    0.9964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9206    0.9964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9447   -1.8795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3999   -1.8554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3758    2.4170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6137    0.2895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3346    0.2653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3173   -1.1726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6137   -1.1485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1551    3.1239    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8413    1.0032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5691    0.9722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5449   -1.8968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9206    2.4101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1551    4.5550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8587   -1.3243    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6794   -3.3105    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3346    3.1170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8930    5.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8001   -2.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0829   -3.6140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3346    4.5550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2139   -2.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7656   -4.8485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5794    5.2619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9208   -3.6381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2035   -4.8588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  2  0  0  0  0
 10 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 17  1  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  1  0  0  0  0
 22 25  1  0  0  0  0
 23 26  1  0  0  0  0
 24 27  1  0  0  0  0
 25 28  2  0  0  0  0
 26 29  2  0  0  0  0
  8 11  2  0  0  0  0
  9 10  1  0  0  0  0
 21 24  1  0  0  0  0
 22 23  2  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (5,886)
5886

>  <Formula> (5,886)
C22H21N3O3S

>  <MolWeight> (5,886)
407.48544

>  <COMPOUND_NAME> (5,886)
WAY-321400

>  <BAR_CODE_NO> (5,886)
296401

$$$$
WAY-321418
csChFnd80/06171916332D

 24 27  0  0  0  0  0  0  0  0999 V2000
    7.1464    8.7136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592    7.4757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5761    8.7136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5761    7.8884    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1464    7.8884    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592    9.1262    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2888    9.1262    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4254    9.1304    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8634    6.6505    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7142    9.9515    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0015    8.7178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2846    9.9515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7127    8.7136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4254    9.9557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1464    6.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5761    6.2421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0015   10.3641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7142    9.1262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7210   10.3683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1381    5.4168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5636    5.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    9.1304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    9.9557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8509    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  3  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  1  1  0  0  0  0
  9  2  1  0  0  0  0
 10 17  1  0  0  0  0
 11  7  1  0  0  0  0
 12  7  1  0  0  0  0
 13  8  1  0  0  0  0
 14  8  1  0  0  0  0
 15  9  1  0  0  0  0
 16  9  1  0  0  0  0
 17 12  1  0  0  0  0
 18 11  1  0  0  0  0
 19 14  1  0  0  0  0
 20 15  1  0  0  0  0
 21 16  1  0  0  0  0
 22 13  1  0  0  0  0
 23 19  1  0  0  0  0
 24 21  1  0  0  0  0
  4  2  2  0  0  0  0
 23 22  1  0  0  0  0
 10 18  1  0  0  0  0
 24 20  1  0  0  0  0
M  END
>  <Mol_ID> (5,887)
5887

>  <Formula> (5,887)
C17H29N7

>  <MolWeight> (5,887)
331.45906

>  <COMPOUND_NAME> (5,887)
WAY-321418

>  <BAR_CODE_NO> (5,887)
296419

$$$$
WAY-321419
csChFnd80/06171916332D

 25 27  0  0  0  0  0  0  0  0999 V2000
    1.8372   -0.7538    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7503   -1.1830    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0336    0.0545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0336   -0.7705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3128    0.4795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4628   -0.7705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4039    0.8962    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7503    0.4670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4628    0.0545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1164   -1.1705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4164   -0.0330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539   -1.4705    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5539   -0.3330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3128   -1.1830    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3997   -0.7663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5497    0.4920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1753   -1.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1753    0.4670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8289    0.9045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2622    0.9045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8961   -0.7705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8961    0.0545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8289    1.7337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2622    1.7337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5497    2.1462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  2  0  0  0  0
  3  4  1  0  0  0  0
  4 14  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  5  3  0  0  0  0
  8  3  2  0  0  0  0
  9  8  1  0  0  0  0
 10  1  1  0  0  0  0
 11  1  2  0  0  0  0
 12  1  2  0  0  0  0
 13  1  1  0  0  0  0
 14 15  1  0  0  0  0
 15 10  1  0  0  0  0
 16 13  1  0  0  0  0
 17  6  1  0  0  0  0
 18  9  1  0  0  0  0
 19 16  1  0  0  0  0
 20 16  2  0  0  0  0
 21 17  1  0  0  0  0
 22 18  1  0  0  0  0
 23 19  2  0  0  0  0
 24 20  1  0  0  0  0
 25 24  2  0  0  0  0
 25 23  1  0  0  0  0
  6  9  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (5,888)
5888

>  <Formula> (5,888)
C19H20N2O2S2

>  <MolWeight> (5,888)
372.5043

>  <COMPOUND_NAME> (5,888)
WAY-321419

>  <BAR_CODE_NO> (5,888)
296420

$$$$
WAY-321429
csChFnd80/06171916332D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -1.4500    0.0833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2000    0.5958    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.7500   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8708    1.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9333    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833    0.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6458   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0625    0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2500   -1.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958    1.6208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4625    2.1458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2333    1.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7625    0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9542    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042    1.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6333    0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0833    2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7833    1.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  2  1  0  0  0  0
  9  3  2  0  0  0  0
 10  4  2  0  0  0  0
 11  4  1  0  0  0  0
 12  6  2  0  0  0  0
 13  6  1  0  0  0  0
 14  8  1  0  0  0  0
 15  8  2  0  0  0  0
 16 13  2  0  0  0  0
 17 12  1  0  0  0  0
 18 15  1  0  0  0  0
 19 14  2  0  0  0  0
 20 16  1  0  0  0  0
 21 18  2  0  0  0  0
  5  7  1  0  0  0  0
 17 20  2  0  0  0  0
 21 19  1  0  0  0  0
M  END
>  <Mol_ID> (5,889)
5889

>  <Formula> (5,889)
C17H16N2O2

>  <MolWeight> (5,889)
280.32114

>  <COMPOUND_NAME> (5,889)
WAY-321429

>  <BAR_CODE_NO> (5,889)
296430

$$$$
WAY-321431
csChFnd80/06171916332D

 29 31  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667    0.9208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5958    1.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833    0.7833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542    1.8958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7375    0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542    1.9208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5958    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7375    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542   -1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9042    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1500   -0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9042    0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7708    1.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833    2.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7708    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -0.0667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542   -1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3500    2.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0667    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208   -2.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  2  0  0  0  0
  7  1  2  0  0  0  0
  8  3  1  0  0  0  0
  9  3  2  0  0  0  0
 10  4  1  0  0  0  0
 11  4  2  0  0  0  0
 12  5  2  0  0  0  0
 13  5  1  0  0  0  0
 14  8  2  0  0  0  0
 15  8  1  0  0  0  0
 16 18  1  0  0  0  0
 17 21  1  0  0  0  0
 18 13  2  0  0  0  0
 19 12  1  0  0  0  0
 20 14  1  0  0  0  0
 21 15  2  0  0  0  0
 22 10  2  0  0  0  0
 23 11  1  0  0  0  0
 24 23  2  0  0  0  0
 25 17  1  0  0  0  0
 26 16  1  0  0  0  0
 27 24  1  0  0  0  0
 28 25  1  0  0  0  0
 29 26  1  0  0  0  0
 24 22  1  0  0  0  0
 16 19  2  0  0  0  0
 17 20  2  0  0  0  0
M  END
>  <Mol_ID> (5,890)
5890

>  <Formula> (5,890)
C22H21NO5S

>  <MolWeight> (5,890)
411.47084

>  <COMPOUND_NAME> (5,890)
WAY-321431

>  <BAR_CODE_NO> (5,890)
296432

$$$$
WAY-321435
csChFnd80/06171916332D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -0.3958   -0.7792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000   -0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000   -0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1000   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542   -1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458   -0.3000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.3458   -0.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458   -1.2542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458    0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083   -0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208   -1.8167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7000    0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167   -1.4542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000    0.3833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8208    1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708    1.2333    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167    0.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000   -0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000   -1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5167   -0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3625    1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9000   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9000   -1.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  6  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  2  0  0  0  0
  8  2  1  0  0  0  0
  9  6  1  0  0  0  0
 10  7  1  0  0  0  0
 11  3  1  0  0  0  0
 12  8  1  0  0  0  0
 13  4  2  0  0  0  0
 14  9  1  0  0  0  0
 15  5  1  0  0  0  0
 16 11  2  0  0  0  0
 17 14  2  0  0  0  0
 18 17  1  0  0  0  0
 19  9  2  0  0  0  0
 20 19  1  0  0  0  0
 21 10  1  0  0  0  0
 22 12  1  0  0  0  0
 23 11  1  0  0  0  0
 24 20  2  0  0  0  0
 25 21  2  0  0  0  0
 26 22  2  0  0  0  0
  5  3  2  0  0  0  0
 12 10  2  0  0  0  0
 17 24  1  0  0  0  0
 26 25  1  0  0  0  0
M  END
>  <Mol_ID> (5,891)
5891

>  <Formula> (5,891)
C19H13FN2O3S

>  <MolWeight> (5,891)
368.3815232

>  <COMPOUND_NAME> (5,891)
WAY-321435

>  <BAR_CODE_NO> (5,891)
296436

$$$$
WAY-321439
csChFnd80/06171916332D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -0.3958   -0.7792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000   -0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000   -0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1000   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542   -1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458   -0.3000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.3458   -0.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458   -1.2542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458    0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083   -0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7000    0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208   -1.8167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8208    1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167    0.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3625    1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167   -1.4542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000    0.3833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708    1.2333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4708    1.9958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000   -0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000   -1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5167   -0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4708    1.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458    2.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9000   -1.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9000   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  6  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  2  0  0  0  0
  8  2  1  0  0  0  0
  9  6  1  0  0  0  0
 10  7  1  0  0  0  0
 11  3  1  0  0  0  0
 12  8  1  0  0  0  0
 13  9  1  0  0  0  0
 14  4  2  0  0  0  0
 15 13  2  0  0  0  0
 16  9  2  0  0  0  0
 17 20  2  0  0  0  0
 18  5  1  0  0  0  0
 19 11  2  0  0  0  0
 20 16  1  0  0  0  0
 21 15  1  0  0  0  0
 22 17  1  0  0  0  0
 23 10  1  0  0  0  0
 24 12  1  0  0  0  0
 25 11  1  0  0  0  0
 26 21  1  0  0  0  0
 27 22  1  0  0  0  0
 28 24  2  0  0  0  0
 29 23  2  0  0  0  0
  5  3  2  0  0  0  0
 12 10  2  0  0  0  0
 17 15  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (5,892)
5892

>  <Formula> (5,892)
C21H18N2O5S

>  <MolWeight> (5,892)
410.44302

>  <COMPOUND_NAME> (5,892)
WAY-321439

>  <BAR_CODE_NO> (5,892)
296440

$$$$
WAY-321440
csChFnd80/06171916332D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -0.3958   -0.7792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000   -0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000   -0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1000   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542   -1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458   -0.3000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.3458   -0.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458   -1.2542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458    0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083   -0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208   -1.8167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7000    0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167   -1.4542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000    0.3833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458    0.0833    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167    0.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000   -0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000   -1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5167   -0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8208    1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9000   -1.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9000   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3625    1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  6  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  2  0  0  0  0
  8  2  1  0  0  0  0
  9  6  1  0  0  0  0
 10  7  1  0  0  0  0
 11  3  1  0  0  0  0
 12  8  1  0  0  0  0
 13  4  2  0  0  0  0
 14  9  1  0  0  0  0
 15  5  1  0  0  0  0
 16 11  2  0  0  0  0
 17 14  1  0  0  0  0
 18  9  2  0  0  0  0
 19 10  1  0  0  0  0
 20 12  1  0  0  0  0
 21 11  1  0  0  0  0
 22 14  2  0  0  0  0
 23 18  1  0  0  0  0
 24 20  2  0  0  0  0
 25 19  2  0  0  0  0
 26 23  2  0  0  0  0
  3  5  2  0  0  0  0
 10 12  2  0  0  0  0
 26 22  1  0  0  0  0
 25 24  1  0  0  0  0
M  END
>  <Mol_ID> (5,893)
5893

>  <Formula> (5,893)
C19H13FN2O3S

>  <MolWeight> (5,893)
368.3815232

>  <COMPOUND_NAME> (5,893)
WAY-321440

>  <BAR_CODE_NO> (5,893)
296441

$$$$
WAY-321447
csChFnd80/06171916332D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -3.8958    0.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1958    1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1875   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0208    0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8958    2.0500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3875   -0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0208    1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5875    0.9958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0125    1.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0417   -0.0875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9667   -1.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5875   -1.0667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333    0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708    2.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042    0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3667   -2.1292    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500   -0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1708    2.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875    0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0417    2.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0667    0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1667   -1.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0667    1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1667    0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7667   -0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  8  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  4  2  0  0  0  0
  8 15  1  0  0  0  0
  9  2  1  0  0  0  0
 10  4  1  0  0  0  0
 11  6  1  0  0  0  0
 12  3  2  0  0  0  0
 13  9  1  0  0  0  0
 14  9  2  0  0  0  0
 15 18  2  0  0  0  0
 16 11  1  0  0  0  0
 17 13  2  0  0  0  0
 18 14  1  0  0  0  0
 19  6  2  0  0  0  0
 20  7  1  0  0  0  0
 21 10  2  0  0  0  0
 22 11  2  0  0  0  0
 23 21  1  0  0  0  0
 24 19  1  0  0  0  0
 25 24  2  0  0  0  0
  5  7  1  0  0  0  0
 23 20  2  0  0  0  0
 17 15  1  0  0  0  0
 22 25  1  0  0  0  0
M  END
>  <Mol_ID> (5,894)
5894

>  <Formula> (5,894)
C19H12BrN3O2

>  <MolWeight> (5,894)
394.22148

>  <COMPOUND_NAME> (5,894)
WAY-321447

>  <BAR_CODE_NO> (5,894)
296448

$$$$
WAY-321487
csChFnd80/06171916332D

 23 26  0  0  0  0  0  0  0  0999 V2000
   -3.6458   -0.1167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4125   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8958    1.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9125    0.8708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8375   -1.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0875   -1.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8208    1.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2292   -2.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458   -1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9833    1.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9292   -0.5167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5958   -1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6875   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2292   -0.3542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0500   -1.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9042   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5208   -2.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9500   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8208    2.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9833    2.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7000   -3.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8958    3.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  8  1  0  0  0  0
  6  5  1  0  0  0  0
  7  3  2  0  0  0  0
  8 12  1  0  0  0  0
  9  2  1  0  0  0  0
 10  3  1  0  0  0  0
 11  6  1  0  0  0  0
 12 13  1  0  0  0  0
 13  9  2  0  0  0  0
 14  6  2  0  0  0  0
 15  5  2  0  0  0  0
 16 11  1  0  0  0  0
 17 14  1  0  0  0  0
 18  9  1  0  0  0  0
 19 18  2  0  0  0  0
 20  7  1  0  0  0  0
 21 10  2  0  0  0  0
 22 19  1  0  0  0  0
 23 21  1  0  0  0  0
  4  7  1  0  0  0  0
 23 20  2  0  0  0  0
 22 12  2  0  0  0  0
 17 16  2  0  0  0  0
M  END
>  <Mol_ID> (5,895)
5895

>  <Formula> (5,895)
C17H11N3O3

>  <MolWeight> (5,895)
305.28754

>  <COMPOUND_NAME> (5,895)
WAY-321487

>  <BAR_CODE_NO> (5,895)
296488

$$$$
WAY-321493
csChFnd80/06171916332D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -0.9523   -0.4864    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6898   -0.8614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5773   -1.6739    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3731   -1.0739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7523   -1.8114    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4227   -0.8614    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8231    0.3303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8144   -1.2364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4231   -0.4822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0352   -0.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0144   -1.4489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8898    0.2886    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4019   -1.8239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8394   -0.2114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4519    0.1636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4727    1.1803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0398    0.6303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6644    0.9636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0602    0.5886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6852    1.9803    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.8523   -0.5447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1898    0.7386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1231   -0.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4606    0.3511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2606    1.4261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7519    0.4136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3394    1.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3269    2.0136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1269    1.7928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  4  1  0  0  0  0
  7  1  1  0  0  0  0
  8 11  1  0  0  0  0
  9  2  1  0  0  0  0
 10  8  1  0  0  0  0
 11  6  1  0  0  0  0
 12 22  2  0  0  0  0
 13  8  2  0  0  0  0
 14 10  1  0  0  0  0
 15 10  2  0  0  0  0
 16 18  2  0  0  0  0
 17  7  1  0  0  0  0
 18 15  1  0  0  0  0
 19 14  2  0  0  0  0
 20 16  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23  9  1  0  0  0  0
 24  9  2  0  0  0  0
 25 17  1  0  0  0  0
 26 17  2  0  0  0  0
 27 26  1  0  0  0  0
 28 25  2  0  0  0  0
 29 27  2  0  0  0  0
  5  3  1  0  0  0  0
 12 21  1  0  0  0  0
 28 29  1  0  0  0  0
 16 19  1  0  0  0  0
M  END
>  <Mol_ID> (5,896)
5896

>  <Formula> (5,896)
C22H17BrN4OS

>  <MolWeight> (5,896)
465.36558

>  <COMPOUND_NAME> (5,896)
WAY-321493

>  <BAR_CODE_NO> (5,896)
296494

$$$$
WAY-321494
csChFnd80/06171916332D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -0.8585   -0.8035    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1482   -1.4829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1518   -1.8518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6206    0.6482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4309   -0.7932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9413   -2.9139    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4930   -3.1449    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5691   -1.4829    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7482    1.5689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6689   -1.5898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5068    0.6585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6208   -2.5277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1482    1.1930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6585    3.0309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9689   -0.9139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8068    1.3551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0449   -2.1277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9206    2.4102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0102    3.5413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0206    0.5551    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4208   -0.7070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0829   -3.1829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4035    0.3551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8656   -0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7829    1.7413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2449    1.0965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1932    2.1482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5691    3.5413    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  2  0  0  0  0
  9 14  1  0  0  0  0
 10 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 13 18  1  0  0  0  0
 14 19  1  0  0  0  0
 15 20  1  0  0  0  0
 17 21  1  0  0  0  0
 17 22  2  0  0  0  0
 21 23  2  0  0  0  0
 21 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  2  0  0  0  0
 27 28  1  0  0  0  0
  6  7  1  0  0  0  0
 16 20  2  0  0  0  0
 18 19  2  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (5,897)
5897

>  <Formula> (5,897)
C20H15BrN4O2S

>  <MolWeight> (5,897)
455.3277

>  <COMPOUND_NAME> (5,897)
WAY-321494

>  <BAR_CODE_NO> (5,897)
296495

$$$$
WAY-321525
csChFnd80/06171916332D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -1.5244   -0.0557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7555   -0.3384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1555   -0.5798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6693    0.7581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1175    0.1961    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4451   -1.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9313   -0.3005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4451    1.0374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0313    1.2857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5687   -0.2419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3825   -1.0419    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0693    0.5098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5555   -0.8281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3445    0.0685    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8451    0.7961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3313   -0.5419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9928   -0.4419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4727    0.2685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7549   -0.1384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8756   -1.2626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8687    0.6823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4066   -0.6522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6307    0.9857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1687   -0.3419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2894    0.4823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0652    0.7961    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  2  0  0  0  0
  7 13  1  0  0  0  0
 10 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 18  2  0  0  0  0
 17 19  1  0  0  0  0
 17 20  2  0  0  0  0
 19 21  1  0  0  0  0
 19 22  2  0  0  0  0
 21 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
  8 12  1  0  0  0  0
 10 11  1  0  0  0  0
 16 18  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (5,898)
5898

>  <Formula> (5,898)
C19H11ClN2O3S

>  <MolWeight> (5,898)
382.82024

>  <COMPOUND_NAME> (5,898)
WAY-321525

>  <BAR_CODE_NO> (5,898)
296526

$$$$
WAY-321532
csChFnd80/06171916332D

 24 26  0  0  0  0  0  0  0  0999 V2000
    1.8683   -0.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8683    0.0641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5855   -1.1462    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1614   -1.1462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5855    0.4814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1614    0.4814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3235   -0.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4511   -0.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3235    0.0641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5855    1.3262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4511    0.0641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8959   -1.2739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1062   -0.5049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2869    0.4365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9627    0.0020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7110    0.3745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9283   -0.8084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3869   -0.1048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1248    0.2676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8007   -0.1669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1593    1.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5145    0.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9076    1.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5834    1.0158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (5,899)
5899

>  <Formula> (5,899)
C20H21NO3

>  <MolWeight> (5,899)
323.38564

>  <COMPOUND_NAME> (5,899)
WAY-321532

>  <BAR_CODE_NO> (5,899)
296533

$$$$
WAY-321538
csChFnd80/06171916332D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -0.5000    1.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    1.0833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0125    1.0833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0125    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000    0.2125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000    1.9208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208    3.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4125    0.2958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3375    0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9833    2.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208    2.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4625    3.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0875    3.8208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708    2.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    2.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8958    3.8958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542    0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4208   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9375    1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9125   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3000    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4667    1.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9458   -1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8375    0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708   -1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9167    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4708   -1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  2  0  0  0  0
  7  1  1  0  0  0  0
  8 13  1  0  0  0  0
  9  5  1  0  0  0  0
 10  4  1  0  0  0  0
 11  7  1  0  0  0  0
 12  7  1  0  0  0  0
 13 16  1  0  0  0  0
 14  8  2  0  0  0  0
 15 11  1  0  0  0  0
 16 12  1  0  0  0  0
 17  8  1  0  0  0  0
 18 10  1  0  0  0  0
 19  9  1  0  0  0  0
 20 18  1  0  0  0  0
 21 19  2  0  0  0  0
 22 18  2  0  0  0  0
 23 19  1  0  0  0  0
 24 20  2  0  0  0  0
 25 21  1  0  0  0  0
 26 22  1  0  0  0  0
 27 23  2  0  0  0  0
 28 26  2  0  0  0  0
 29 27  1  0  0  0  0
 15 13  1  0  0  0  0
  4  6  1  0  0  0  0
 25 29  2  0  0  0  0
 28 24  1  0  0  0  0
M  END
>  <Mol_ID> (5,900)
5900

>  <Formula> (5,900)
C21H23N7O

>  <MolWeight> (5,900)
389.45362

>  <COMPOUND_NAME> (5,900)
WAY-321538

>  <BAR_CODE_NO> (5,900)
296539

$$$$
WAY-321539
csChFnd80/06171916332D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.9042   -0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292    0.3125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042   -0.3667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958   -0.3667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042    0.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958    0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042   -0.3875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292    0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292    0.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7042   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4958   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4958    0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292    1.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9500   -0.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958    1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1042   -0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4708    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  2  2  0  0  0  0
  6  2  1  0  0  0  0
  7  5  1  0  0  0  0
  8 10  1  0  0  0  0
  9  1  1  0  0  0  0
 10  6  2  0  0  0  0
 11  3  1  0  0  0  0
 12 15  1  0  0  0  0
 13  7  1  0  0  0  0
 14  8  1  0  0  0  0
 15  9  2  0  0  0  0
 16 13  2  0  0  0  0
 17 14  2  0  0  0  0
 18 11  1  0  0  0  0
 19 16  1  0  0  0  0
 20 10  1  0  0  0  0
 21 15  1  0  0  0  0
 22 19  1  0  0  0  0
 11 12  2  0  0  0  0
  8  7  2  0  0  0  0
 17 16  1  0  0  0  0
M  END
>  <Mol_ID> (5,901)
5901

>  <Formula> (5,901)
C15H15N5O2

>  <MolWeight> (5,901)
297.3119

>  <COMPOUND_NAME> (5,901)
WAY-321539

>  <BAR_CODE_NO> (5,901)
296540

$$$$
WAY-321545-A
csChFnd80/06171916332D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -2.7125   -0.5292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792   -1.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1958    0.3625    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.1208   -1.3292    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.6458   -0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2125   -1.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2458    0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167   -0.4792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167   -1.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292   -2.1042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1958   -1.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1958    0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5542   -2.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042   -0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1167   -1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9500   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5792   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6042   -2.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1500   -1.2042    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  8  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  6  1  0  0  0  0
  6  4  1  0  0  0  0
  7  3  1  0  0  0  0
  8  5  1  0  0  0  0
  9  2  1  0  0  0  0
 10  2  2  0  0  0  0
 11  4  1  0  0  0  0
 12  3  1  0  0  0  0
 13  9  2  0  0  0  0
 14  9  1  0  0  0  0
 15 17  1  0  0  0  0
 16  1  1  0  0  0  0
 17 14  2  0  0  0  0
 18 13  1  0  0  0  0
 19 15  1  0  0  0  0
 11 12  1  0  0  0  0
  7  5  1  0  0  0  0
 15 18  2  0  0  0  0
M  END
>  <Mol_ID> (5,902)
5902

>  <Formula> (5,902)
C15H18ClNO2

>  <MolWeight> (5,902)
279.76192

>  <COMPOUND_NAME> (5,902)
WAY-321545-A

>  <BAR_CODE_NO> (5,902)
296546

$$$$
WAY-321566
csChFnd80/06171916332D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -0.3448   -1.1484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5586   -0.3553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4552   -1.3587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9207   -1.7311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0310    0.2309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3483   -0.1449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0379   -0.7794    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6655   -2.1587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7069   -2.5311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8241    0.0137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5690    0.6516    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9345   -0.7208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0897   -2.7449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4655   -2.3725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4034    0.6033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9828    1.2413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3690    0.8654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2034    0.3827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1931    1.3896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1966    2.0413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5828    1.6654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7897    0.9654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7759    1.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9966    2.2516    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5759    1.7654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
  8 13  2  0  0  0  0
  8 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
 19 23  2  0  0  0  0
 20 24  1  0  0  0  0
 22 25  2  0  0  0  0
  7 10  1  0  0  0  0
  9 13  1  0  0  0  0
 21 24  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (5,903)
5903

>  <Formula> (5,903)
C21H20N2O2

>  <MolWeight> (5,903)
332.3957

>  <COMPOUND_NAME> (5,903)
WAY-321566

>  <BAR_CODE_NO> (5,903)
296567

$$$$
WAY-321581
csChFnd80/06171916332D

 19 20  0  0  0  0  0  0  0  0999 V2000
    4.8332    4.4503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1617    2.6543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1617    4.8918    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9548    3.7773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8332    3.0696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6261    5.1696    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6261    2.3793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4018    4.4503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4018    3.0696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6090    1.3112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0417    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2150    5.1696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2150    2.3446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.9061    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0177    1.6131    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3326    3.7773    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6090    6.2203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9838    6.4852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9043    5.4287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  2  0  0  0  0
  7  5  2  0  0  0  0
  8  6  1  0  0  0  0
  9  8  2  0  0  0  0
 10  2  1  0  0  0  0
 11 10  3  0  0  0  0
 12  8  1  0  0  0  0
 13  9  1  0  0  0  0
 14 12  3  0  0  0  0
 15 13  3  0  0  0  0
 16  4  1  0  0  0  0
 17  3  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
  4  2  2  0  0  0  0
  7  9  1  0  0  0  0
M  END
>  <Mol_ID> (5,904)
5904

>  <Formula> (5,904)
C12H7N7

>  <MolWeight> (5,904)
249.23088

>  <COMPOUND_NAME> (5,904)
WAY-321581

>  <BAR_CODE_NO> (5,904)
296582

$$$$
WAY-321582-A
csChFnd80/06171916332D

 17 19  0  0  0  0  0  0  0  0999 V2000
    0.1897    0.3002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0621    0.1485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1897    0.5795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4310    0.1485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0621   -0.1308    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000    0.3002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0621    0.7209    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4310    0.7209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6793    0.3002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000   -0.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000    0.5795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6793    0.5795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000   -0.5584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0690   -0.7205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5310   -0.7205    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1621   -0.9895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4517   -0.9895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  8 12  2  0  0  0  0
 10 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
  7 11  2  0  0  0  0
  9 12  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (5,905)
5905

>  <Formula> (5,905)
C13H11N3O

>  <MolWeight> (5,905)
225.24594

>  <COMPOUND_NAME> (5,905)
WAY-321582-A

>  <BAR_CODE_NO> (5,905)
296583

$$$$
WAY-321601
csChFnd80/06171916332D

 23 26  0  0  0  0  0  0  0  0999 V2000
   -1.8634   -0.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8013    0.0456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8634   -1.4475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8393    0.2387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1496   -0.8751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3255    1.1007    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8013   -1.7889    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8393   -2.0200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8151   -0.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8393    1.3835    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9987   -0.7786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8159    1.2076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8151   -1.4475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6462    1.9352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8151    1.9525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4814    0.2559    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6573   -1.7027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6159    0.3352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2504   -0.6027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0987    1.3628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3987   -0.4993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2228    1.4525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8745    0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  8 13  2  0  0  0  0
 10 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
  5  7  1  0  0  0  0
  9 13  1  0  0  0  0
 12 16  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (5,906)
5906

>  <Formula> (5,906)
C17H14N4OS

>  <MolWeight> (5,906)
322.38426

>  <COMPOUND_NAME> (5,906)
WAY-321601

>  <BAR_CODE_NO> (5,906)
296602

$$$$
WAY-321636
csChFnd80/06171916332D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -2.8731   -0.7692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8731    0.8998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3076   -1.5761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3007   -1.5761    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3076    1.7653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3007    1.7653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2234   -0.7692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3076   -3.3864    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9041   -0.7692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2234    0.8998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3076    3.5757    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -5.9041    0.8998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7648   -1.6795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3545   -0.7588    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3545    0.9964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8614   -1.6243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8614    1.8688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3717   -0.7588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3717    0.9964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
  7 10  1  0  0  0  0
  9 12  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (5,907)
5907

>  <Formula> (5,907)
C15H17BrN2O

>  <MolWeight> (5,907)
321.21228

>  <COMPOUND_NAME> (5,907)
WAY-321636

>  <BAR_CODE_NO> (5,907)
296637

$$$$
WAY-321638
csChFnd80/06171916332D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -0.4958    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958    1.3125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9125    0.0125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042    0.7333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6833    0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042    2.1125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9000    2.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6458   -0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9000    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4375   -1.5792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0625   -2.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1500   -0.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3708   -0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4500    1.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6875    2.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9000    3.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8625   -2.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292   -2.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6875    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0625    0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1125    0.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0875    1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708   -3.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3625   -2.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0708   -3.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  3  1  0  0  0  0
  8  2  1  0  0  0  0
  9  5  2  0  0  0  0
 10  6  1  0  0  0  0
 11  3  1  0  0  0  0
 12  6  2  0  0  0  0
 13 10  1  0  0  0  0
 14 16  1  0  0  0  0
 15 14  1  0  0  0  0
 16 11  1  0  0  0  0
 17  7  1  0  0  0  0
 18  8  1  0  0  0  0
 19 10  2  0  0  0  0
 20 13  1  0  0  0  0
 21 15  2  0  0  0  0
 22 15  1  0  0  0  0
 23 12  1  0  0  0  0
 24 17  2  0  0  0  0
 25 18  2  0  0  0  0
 26 23  2  0  0  0  0
 27 22  2  0  0  0  0
 28 21  1  0  0  0  0
 29 27  1  0  0  0  0
  7  8  2  0  0  0  0
 25 24  1  0  0  0  0
 19 26  1  0  0  0  0
 28 29  2  0  0  0  0
M  END
>  <Mol_ID> (5,908)
5908

>  <Formula> (5,908)
C23H21N3O3

>  <MolWeight> (5,908)
387.43114

>  <COMPOUND_NAME> (5,908)
WAY-321638

>  <BAR_CODE_NO> (5,908)
296639

$$$$
WAY-321641
csChFnd80/06171916332D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -1.9590    0.7886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3073    0.7886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9590   -0.1080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7763    1.2644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3073   -0.1080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5444    1.2644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1004   -0.5976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7763   -0.5976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6383    0.7886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5444   -0.5976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3617    0.7886    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5444    2.2955    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1004   -1.6149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6383   -0.1080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4970    1.2644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4099   -0.1390    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2582    1.2782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5383   -0.5356    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.2582   -0.6459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1099    0.8093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2582   -1.6632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1375   -0.1390    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1237   -2.1873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0237   -0.6252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0237   -1.6632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 14  2  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 11 17  1  0  0  0  0
 14 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  2  0  0  0  0
 21 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
  5  7  1  0  0  0  0
  9 14  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (5,909)
5909

>  <Formula> (5,909)
C18H17BrN2O3S

>  <MolWeight> (5,909)
421.30818

>  <COMPOUND_NAME> (5,909)
WAY-321641

>  <BAR_CODE_NO> (5,909)
296642

$$$$
WAY-321658
csChFnd80/06171916332D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.3375   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1792    0.1958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458   -0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000   -0.8667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0375   -0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9000    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2625    1.5333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5625   -0.5292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0000    0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7167   -1.7875    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.5375   -0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7208   -0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9000   -1.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1625    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9833   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2167   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7000   -0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8833    0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1625   -0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  7  3  0  0  0  0
  9  4  1  0  0  0  0
 10  6  1  0  0  0  0
 11  9  1  0  0  0  0
 12 10  1  0  0  0  0
 13  6  2  0  0  0  0
 14 11  1  0  0  0  0
 15 10  2  0  0  0  0
 16 14  1  0  0  0  0
 17 14  2  0  0  0  0
 18 13  1  0  0  0  0
 19 18  2  0  0  0  0
 20 17  1  0  0  0  0
 21 16  2  0  0  0  0
 22 20  2  0  0  0  0
  4  3  2  0  0  0  0
 19 15  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (5,910)
5910

>  <Formula> (5,910)
C17H12FN3O

>  <MolWeight> (5,910)
293.2950832

>  <COMPOUND_NAME> (5,910)
WAY-321658

>  <BAR_CODE_NO> (5,910)
296659

$$$$
WAY-321675
csChFnd80/06171916332D

 24 27  0  0  0  0  0  0  0  0999 V2000
    0.9000   -0.1792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5792    1.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000    1.5625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000    0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792    0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000    1.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542    1.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000   -0.6167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167    0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3375   -0.1792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542   -0.1792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167    0.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9167    1.8458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792   -0.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542    0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0375    0.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792   -1.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0375    0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542   -1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542   -1.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000   -1.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792   -2.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  8  1  0  0  0  0
  3  6  1  0  0  0  0
  4  1  1  0  0  0  0
  5  7  1  0  0  0  0
  6 13  1  0  0  0  0
  7  4  2  0  0  0  0
  8  5  1  0  0  0  0
  9  1  1  0  0  0  0
 10  4  1  0  0  0  0
 11  1  2  0  0  0  0
 12  1  2  0  0  0  0
 13 10  2  0  0  0  0
 14  2  2  0  0  0  0
 15  9  1  0  0  0  0
 16  7  1  0  0  0  0
 17 19  1  0  0  0  0
 18 15  1  0  0  0  0
 19 16  2  0  0  0  0
 20 18  2  0  0  0  0
 21 18  1  0  0  0  0
 22 20  1  0  0  0  0
 23 21  2  0  0  0  0
 24 23  1  0  0  0  0
  5  6  2  0  0  0  0
  2  3  1  0  0  0  0
  8 17  2  0  0  0  0
 22 24  2  0  0  0  0
M  END
>  <Mol_ID> (5,911)
5911

>  <Formula> (5,911)
C18H14N2O3S

>  <MolWeight> (5,911)
338.38036

>  <COMPOUND_NAME> (5,911)
WAY-321675

>  <BAR_CODE_NO> (5,911)
296676

$$$$
WAY-321722
csChFnd80/06171916332D

 20 23  0  0  0  0  0  0  0  0999 V2000
    2.8417   -0.3375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8375   -1.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5542   -1.5917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5625    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2792   -1.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2792   -0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167   -1.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4042   -0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000   -1.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167    0.9083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9917   -1.5917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0042    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5667    0.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6875    0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6875   -1.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0167    0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2917    1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0250   -0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0250   -1.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  5  2  0  0  0  0
  8  2  2  0  0  0  0
  9  3  1  0  0  0  0
 10  9  1  0  0  0  0
 11  3  2  0  0  0  0
 12  6  2  0  0  0  0
 13  7  1  0  0  0  0
 14  5  1  0  0  0  0
 15  9  2  0  0  0  0
 16 10  2  0  0  0  0
 17 18  1  0  0  0  0
 18 14  2  0  0  0  0
 19 15  1  0  0  0  0
 20 19  2  0  0  0  0
  6  4  1  0  0  0  0
  8 10  1  0  0  0  0
 17 13  2  0  0  0  0
 16 20  1  0  0  0  0
M  END
>  <Mol_ID> (5,912)
5912

>  <Formula> (5,912)
C16H10N2O2

>  <MolWeight> (5,912)
262.2628

>  <COMPOUND_NAME> (5,912)
WAY-321722

>  <BAR_CODE_NO> (5,912)
296723

$$$$
WAY-321760
csChFnd80/06171916332D

 31 33  0  0  0  0  0  0  0  0999 V2000
   -2.8125   -1.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6208   -0.9792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9958   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5833    0.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8125   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9833   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7958   -0.1792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8125   -1.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000   -1.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1833    0.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9833    1.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7500    1.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000    0.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5833   -1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5833   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3833   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042    0.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8167    0.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4292    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833   -0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833   -1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500    0.3833    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2292    1.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2042   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0292   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0167    1.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7625    0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500   -0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1333    1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  1  2  0  0  0  0
  8  1  2  0  0  0  0
  9 10  1  0  0  0  0
 10 17  1  0  0  0  0
 11  5  2  0  0  0  0
 12  4  1  0  0  0  0
 13 11  1  0  0  0  0
 14  9  2  0  0  0  0
 15  6  1  0  0  0  0
 16  6  2  0  0  0  0
 17 22  2  0  0  0  0
 18 19  1  0  0  0  0
 19  9  1  0  0  0  0
 20 18  1  0  0  0  0
 21 27  1  0  0  0  0
 22 16  1  0  0  0  0
 23 15  2  0  0  0  0
 24 21  1  0  0  0  0
 25 20  2  0  0  0  0
 26 20  1  0  0  0  0
 27 26  2  0  0  0  0
 28 25  1  0  0  0  0
 29  4  1  0  0  0  0
 30  5  1  0  0  0  0
 31 13  1  0  0  0  0
 17 23  1  0  0  0  0
 13 12  2  0  0  0  0
 21 28  2  0  0  0  0
M  END
>  <Mol_ID> (5,913)
5913

>  <Formula> (5,913)
C23H23ClN2O4S

>  <MolWeight> (5,913)
458.95772

>  <COMPOUND_NAME> (5,913)
WAY-321760

>  <BAR_CODE_NO> (5,913)
296761

$$$$
WAY-321776
csChFnd80/06171916332D

 30 32  0  0  0  0  0  0  0  0999 V2000
    5.7292   -4.8042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.7292   -3.9875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0042   -3.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4500   -3.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1542   -3.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0167   -5.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8667   -3.5667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1375   -5.5167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5167   -5.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5875   -3.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0042   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1542   -4.8042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3000   -3.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0167   -6.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3042   -4.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2875   -2.7167    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.3042   -6.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6000   -5.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6000   -6.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3000   -3.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7167   -2.3167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5875   -4.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3000   -2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0042   -3.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8792   -6.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7167   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5875   -3.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3000   -5.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5875   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0042   -4.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  5  1  0  0  0  0
  8  1  2  0  0  0  0
  9  1  2  0  0  0  0
 10  7  1  0  0  0  0
 11  3  1  0  0  0  0
 12  5  2  0  0  0  0
 13 10  1  0  0  0  0
 14  6  1  0  0  0  0
 15  6  2  0  0  0  0
 16 13  1  0  0  0  0
 17 14  2  0  0  0  0
 18 15  1  0  0  0  0
 19 18  2  0  0  0  0
 20  3  2  0  0  0  0
 21 11  1  0  0  0  0
 22 10  2  0  0  0  0
 23 11  2  0  0  0  0
 24 13  2  0  0  0  0
 25 19  1  0  0  0  0
 26 21  1  0  0  0  0
 27 20  1  0  0  0  0
 28 22  1  0  0  0  0
 29 27  2  0  0  0  0
 30 28  2  0  0  0  0
 19 17  1  0  0  0  0
 29 23  1  0  0  0  0
 30 24  1  0  0  0  0
M  END
>  <Mol_ID> (5,914)
5914

>  <Formula> (5,914)
C22H21FN2O4S

>  <MolWeight> (5,914)
428.4765432

>  <COMPOUND_NAME> (5,914)
WAY-321776

>  <BAR_CODE_NO> (5,914)
296777

$$$$
WAY-321804
csChFnd80/06171916332D

 30 32  0  0  0  0  0  0  0  0999 V2000
    5.7292   -4.8042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.7292   -3.9875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0042   -3.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4500   -3.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1542   -3.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0167   -5.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8667   -3.5667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1375   -5.5167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5167   -5.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5875   -3.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0042   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1542   -4.8042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3000   -3.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0167   -6.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3042   -4.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2875   -2.7375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.3042   -6.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6000   -5.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6000   -6.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3000   -3.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7167   -2.3167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5875   -4.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3000   -2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0042   -3.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8792   -6.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7167   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5875   -3.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3000   -5.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5875   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0042   -4.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  5  1  0  0  0  0
  8  1  2  0  0  0  0
  9  1  2  0  0  0  0
 10  7  1  0  0  0  0
 11  3  1  0  0  0  0
 12  5  2  0  0  0  0
 13 10  1  0  0  0  0
 14  6  1  0  0  0  0
 15  6  2  0  0  0  0
 16 13  1  0  0  0  0
 17 14  2  0  0  0  0
 18 15  1  0  0  0  0
 19 18  2  0  0  0  0
 20  3  2  0  0  0  0
 21 11  1  0  0  0  0
 22 10  2  0  0  0  0
 23 11  2  0  0  0  0
 24 13  2  0  0  0  0
 25 19  1  0  0  0  0
 26 21  1  0  0  0  0
 27 20  1  0  0  0  0
 28 22  1  0  0  0  0
 29 27  2  0  0  0  0
 30 28  2  0  0  0  0
 19 17  1  0  0  0  0
 29 23  1  0  0  0  0
 30 24  1  0  0  0  0
M  END
>  <Mol_ID> (5,915)
5915

>  <Formula> (5,915)
C22H21ClN2O4S

>  <MolWeight> (5,915)
444.93114

>  <COMPOUND_NAME> (5,915)
WAY-321804

>  <BAR_CODE_NO> (5,915)
296805

$$$$
WAY-321814
csChFnd80/06171916332D

 29 31  0  0  0  0  0  0  0  0999 V2000
    5.7292   -4.8042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.7292   -3.9875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0042   -3.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4500   -3.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1542   -3.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0167   -5.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5167   -5.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1375   -5.5167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8667   -3.5667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0042   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1542   -4.8042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0167   -6.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3042   -4.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5875   -3.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3042   -6.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6000   -5.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6000   -6.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3000   -3.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7167   -2.3167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3000   -2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8792   -6.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5875   -4.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3000   -3.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7167   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5875   -3.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5875   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3000   -5.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0042   -3.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0042   -4.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  1  2  0  0  0  0
  8  1  2  0  0  0  0
  9  5  1  0  0  0  0
 10  3  1  0  0  0  0
 11  5  2  0  0  0  0
 12  6  1  0  0  0  0
 13  6  2  0  0  0  0
 14  9  1  0  0  0  0
 15 12  2  0  0  0  0
 16 13  1  0  0  0  0
 17 16  2  0  0  0  0
 18  3  2  0  0  0  0
 19 10  1  0  0  0  0
 20 10  2  0  0  0  0
 21 17  1  0  0  0  0
 22 14  2  0  0  0  0
 23 14  1  0  0  0  0
 24 19  1  0  0  0  0
 25 18  1  0  0  0  0
 26 25  2  0  0  0  0
 27 22  1  0  0  0  0
 28 23  2  0  0  0  0
 29 28  1  0  0  0  0
 17 15  1  0  0  0  0
 26 20  1  0  0  0  0
 29 27  2  0  0  0  0
M  END
>  <Mol_ID> (5,916)
5916

>  <Formula> (5,916)
C22H22N2O4S

>  <MolWeight> (5,916)
410.48608

>  <COMPOUND_NAME> (5,916)
WAY-321814

>  <BAR_CODE_NO> (5,916)
296815

$$$$
WAY-321842
csChFnd80/06171916332D

 20 22  0  0  0  0  0  0  0  0999 V2000
    3.7042    0.2625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9875   -0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7042    1.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2792    0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9875    1.5125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2792    1.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4167   -0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4292    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9875   -0.9667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5667   -0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5542    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4167   -0.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1375    0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8500    0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8500   -0.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542    1.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8500   -0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1375   -1.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1375   -0.1500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.5667   -1.3875    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  1  1  0  0  0  0
  8  3  2  0  0  0  0
  9  2  2  0  0  0  0
 10  4  2  0  0  0  0
 11  6  2  0  0  0  0
 12  7  2  0  0  0  0
 13  7  1  0  0  0  0
 14 10  1  0  0  0  0
 15 17  1  0  0  0  0
 16 11  1  0  0  0  0
 17 13  2  0  0  0  0
 18 12  1  0  0  0  0
 19 14  1  0  0  0  0
 20 15  1  0  0  0  0
 15 18  2  0  0  0  0
  4  6  1  0  0  0  0
 14 16  2  0  0  0  0
M  END
>  <Mol_ID> (5,917)
5917

>  <Formula> (5,917)
C14H7ClFNO3

>  <MolWeight> (5,917)
291.6616832

>  <COMPOUND_NAME> (5,917)
WAY-321842

>  <BAR_CODE_NO> (5,917)
296843

$$$$
WAY-321873
csChFnd80/06171916332D

 31 34  0  0  0  0  0  0  0  0999 V2000
    3.2667    2.8708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458   -0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2625   -0.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8792    3.5625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8000   -1.4875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458   -1.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5667    4.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6542    2.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5667    3.4458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    2.2833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875    5.1792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6542    4.6375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1000    0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792    2.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9792    1.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5167    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1875    1.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4042    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9542    6.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5500   -2.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8792    6.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3667    5.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0458    0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458    1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2625    2.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6000    1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2208    2.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3 10  1  0  0  0  0
  4  5  2  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  8  1  0  0  0  0
  8  2  2  0  0  0  0
  9  6  1  0  0  0  0
 10 20  1  0  0  0  0
 11  1  1  0  0  0  0
 12  1  2  0  0  0  0
 13  1  2  0  0  0  0
 14  9  2  0  0  0  0
 15  9  1  0  0  0  0
 16  3  2  0  0  0  0
 17  5  1  0  0  0  0
 18 11  1  0  0  0  0
 19 11  2  0  0  0  0
 20 22  2  0  0  0  0
 21 18  2  0  0  0  0
 22 19  1  0  0  0  0
 23 26  1  0  0  0  0
 24  8  1  0  0  0  0
 25 14  1  0  0  0  0
 26 15  2  0  0  0  0
 27 17  1  0  0  0  0
 28 17  2  0  0  0  0
 29 28  1  0  0  0  0
 30 27  2  0  0  0  0
 31 29  2  0  0  0  0
 21 20  1  0  0  0  0
 25 23  2  0  0  0  0
  7  4  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (5,918)
5918

>  <Formula> (5,918)
C21H17N5O4S

>  <MolWeight> (5,918)
435.45578

>  <COMPOUND_NAME> (5,918)
WAY-321873

>  <BAR_CODE_NO> (5,918)
296874

$$$$
WAY-321882
csChFnd80/06171916332D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -2.0462    0.7350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3600    0.0316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5427    1.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2462    0.8178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1531   -0.0926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8738   -0.6098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2979    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7738    0.1764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6186    0.5316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0193    0.2971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4255    0.4212    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.4952   -0.3443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2780   -0.2615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7814   -0.8891    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6090    0.4695    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5745   -0.7684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8607   -0.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0504   -1.3926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6607    0.0764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8469   -1.2857    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1607   -0.5477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
  7  9  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (5,919)
5919

>  <Formula> (5,919)
C16H17ClN2O2

>  <MolWeight> (5,919)
304.77138

>  <COMPOUND_NAME> (5,919)
WAY-321882

>  <BAR_CODE_NO> (5,919)
296883

$$$$
WAY-321890
csChFnd80/06171916332D

 31 35  0  0  0  0  0  0  0  0999 V2000
    1.5042    0.5958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5042   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1500    1.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542    1.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667    1.1333    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.1792   -0.8167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167   -0.8167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6500    2.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9292   -1.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0875   -1.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667    0.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1000    0.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000    2.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0167    3.4458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5375    2.6208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8958   -0.3375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333    3.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208    2.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4833    3.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4833    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7708    2.6833    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3792   -2.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542   -2.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5625    0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4000    1.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0875   -3.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9792   -3.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  6  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  2  0  0  0  0
  8  2  1  0  0  0  0
  9  3  1  0  0  0  0
 10  7  1  0  0  0  0
 11  8  1  0  0  0  0
 12  6  1  0  0  0  0
 13  4  2  0  0  0  0
 14  9  1  0  0  0  0
 15  9  2  0  0  0  0
 16  5  1  0  0  0  0
 17 23  2  0  0  0  0
 18 14  2  0  0  0  0
 19 14  1  0  0  0  0
 20 22  1  0  0  0  0
 21 18  1  0  0  0  0
 22 19  2  0  0  0  0
 23 12  1  0  0  0  0
 24 20  1  0  0  0  0
 25 10  1  0  0  0  0
 26 11  1  0  0  0  0
 27 12  2  0  0  0  0
 28 29  2  0  0  0  0
 29 27  1  0  0  0  0
 30 26  2  0  0  0  0
 31 25  2  0  0  0  0
  5  3  2  0  0  0  0
 10 11  2  0  0  0  0
 17 28  1  0  0  0  0
 31 30  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (5,920)
5920

>  <Formula> (5,920)
C23H14ClN3O3S

>  <MolWeight> (5,920)
447.89356

>  <COMPOUND_NAME> (5,920)
WAY-321890

>  <BAR_CODE_NO> (5,920)
296891

$$$$
WAY-321908
csChFnd80/06171916332D

 23 26  0  0  0  0  0  0  0  0999 V2000
   -2.2333   -0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708   -0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2333    0.8500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708    1.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958   -0.2875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.3000    0.8458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1958   -0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708   -1.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6875   -0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1958   -1.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2833    2.5625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2333   -2.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6875   -1.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6667   -0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6500   -1.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -2.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6500   -0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1583   -0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6500   -2.5292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1583   -2.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6042   -1.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1333   -0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1333   -1.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  5  1  0  0  0  0
 10  7  2  0  0  0  0
 11  4  2  0  0  0  0
 12 10  1  0  0  0  0
 13  9  1  0  0  0  0
 14  9  2  0  0  0  0
 15 17  2  0  0  0  0
 16 13  2  0  0  0  0
 17 14  1  0  0  0  0
 18  7  1  0  0  0  0
 19 15  1  0  0  0  0
 20 10  1  0  0  0  0
 21 19  1  0  0  0  0
 22 18  2  0  0  0  0
 23 22  1  0  0  0  0
 12  8  1  0  0  0  0
  5  6  1  0  0  0  0
 23 20  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (5,921)
5921

>  <Formula> (5,921)
C19H18N2O2

>  <MolWeight> (5,921)
306.35842

>  <COMPOUND_NAME> (5,921)
WAY-321908

>  <BAR_CODE_NO> (5,921)
296909

$$$$
WAY-321914
csChFnd80/06171916332D

 29 32  0  0  0  0  0  0  0  0999 V2000
    2.0000   -1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9500   -1.8167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.1167   -0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6542   -1.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5208    0.1208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000   -0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5208   -1.9500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1000   -1.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000   -1.4500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.3500    0.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000   -1.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958   -1.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4333   -0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4333   -1.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958    0.1208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3500    0.0833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000   -0.4042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    1.3833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6167    0.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7042   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3500    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3500   -1.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8500    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6667    0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2167   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458    1.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2708   -1.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2708   -0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  7  1  0  0  0  0
  7 10  1  0  0  0  0
  8 10  1  0  0  0  0
  9  1  1  0  0  0  0
 10 13  1  0  0  0  0
 11  2  1  0  0  0  0
 12  9  1  0  0  0  0
 13 12  1  0  0  0  0
 14 15  2  0  0  0  0
 15  8  1  0  0  0  0
 16  7  2  0  0  0  0
 17 11  2  0  0  0  0
 18 12  2  0  0  0  0
 19 11  1  0  0  0  0
 20  4  1  0  0  0  0
 21  5  1  0  0  0  0
 22 14  1  0  0  0  0
 23 15  1  0  0  0  0
 24 19  1  0  0  0  0
 25 20  1  0  0  0  0
 26 21  1  0  0  0  0
 27 24  1  0  0  0  0
 28 23  2  0  0  0  0
 29 28  1  0  0  0  0
  5  4  2  0  0  0  0
 26 25  1  0  0  0  0
  6 14  1  0  0  0  0
 29 22  2  0  0  0  0
M  END
>  <Mol_ID> (5,922)
5922

>  <Formula> (5,922)
C21H22N2O4S2

>  <MolWeight> (5,922)
430.54038

>  <COMPOUND_NAME> (5,922)
WAY-321914

>  <BAR_CODE_NO> (5,922)
296915

$$$$
WAY-321917
csChFnd80/06171916332D

 23 25  0  0  0  0  0  0  0  0999 V2000
   12.3000   -8.9667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8167   -8.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8042   -8.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8292   -8.0667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8500   -8.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3500   -7.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3167   -9.0042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.3375   -9.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2875   -8.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3042   -9.6375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8375   -8.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8542   -8.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3667   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3667   -7.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2542   -9.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7875   -8.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3500   -9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3875   -7.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8875   -6.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8667   -8.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2667   -8.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7375   -9.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2500   -9.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  2  1  0  0  0  0
  8 11  1  0  0  0  0
  9  3  1  0  0  0  0
 10  8  2  0  0  0  0
 11  7  1  0  0  0  0
 12  8  1  0  0  0  0
 13  5  1  0  0  0  0
 14  6  1  0  0  0  0
 15  9  1  0  0  0  0
 16  9  2  0  0  0  0
 17 12  1  0  0  0  0
 18 13  1  0  0  0  0
 19 14  1  0  0  0  0
 20 17  1  0  0  0  0
 21 16  1  0  0  0  0
 22 15  2  0  0  0  0
 23 21  2  0  0  0  0
  5  6  2  0  0  0  0
 22 23  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (5,923)
5923

>  <Formula> (5,923)
C18H20N2O2S

>  <MolWeight> (5,923)
328.4286

>  <COMPOUND_NAME> (5,923)
WAY-321917

>  <BAR_CODE_NO> (5,923)
296918

$$$$
WAY-321927
csChFnd80/06171916332D

 31 35  0  0  0  0  0  0  0  0999 V2000
    9.3000   -2.6167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3000   -3.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9167   -2.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9167   -3.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6542   -3.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5375   -2.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5375   -3.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9167   -1.5042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0375   -2.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0375   -3.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9167   -4.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9167   -5.1375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9042   -0.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5667   -1.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2667   -1.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9042    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2667   -0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5667   -0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5542    1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8542    1.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1542   -3.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2042    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5542    1.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2042    2.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8542    1.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4042   -2.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4042   -3.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5000    2.2458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1500    1.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8000   -2.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8000   -3.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  2  2  0  0  0  0
  6  3  2  0  0  0  0
  7  6  1  0  0  0  0
  8  3  1  0  0  0  0
  9  1  1  0  0  0  0
 10  9  2  0  0  0  0
 11  4  1  0  0  0  0
 12 11  3  0  0  0  0
 13 17  1  0  0  0  0
 14  8  1  0  0  0  0
 15  8  1  0  0  0  0
 16 13  1  0  0  0  0
 17 15  1  0  0  0  0
 18 14  1  0  0  0  0
 19 16  1  0  0  0  0
 20 24  2  0  0  0  0
 21  7  1  0  0  0  0
 22 19  1  0  0  0  0
 23 19  2  0  0  0  0
 24 23  1  0  0  0  0
 25 22  2  0  0  0  0
 26  9  1  0  0  0  0
 27 10  1  0  0  0  0
 28 20  1  0  0  0  0
 29 28  1  0  0  0  0
 30 26  2  0  0  0  0
 31 30  1  0  0  0  0
  5 10  1  0  0  0  0
  7  4  2  0  0  0  0
 31 27  2  0  0  0  0
 13 18  1  0  0  0  0
 20 25  1  0  0  0  0
M  END
>  <Mol_ID> (5,924)
5924

>  <Formula> (5,924)
C25H25N5O

>  <MolWeight> (5,924)
411.4989

>  <COMPOUND_NAME> (5,924)
WAY-321927

>  <BAR_CODE_NO> (5,924)
296928

$$$$
WAY-321944
csChFnd80/06171916332D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.6143   -0.7624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3453   -0.2934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1453   -0.7624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3453   -1.2244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1926   -0.2934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6143    0.1652    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4143   -0.2934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4143   -1.2244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6143   -1.6934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4650    0.1652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1453    0.1652    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9557   -0.2934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1453   -1.6934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0029    0.1652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1926    0.6376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2754    0.6376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4650    1.0963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0029    1.0963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8029    0.6376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2754    1.5652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0754    0.1652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0029    2.0376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  2  0  0  0  0
 10 14  2  0  0  0  0
 10 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
  7 11  1  0  0  0  0
  9 13  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (5,925)
5925

>  <Formula> (5,925)
C17H16N2O3

>  <MolWeight> (5,925)
296.32054

>  <COMPOUND_NAME> (5,925)
WAY-321944

>  <BAR_CODE_NO> (5,925)
296945

$$$$
WAY-321946
csChFnd80/06171916332D

 24 26  0  0  0  0  0  0  0  0999 V2000
    4.3542    0.2458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0667    0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4000    1.2708    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.7042    1.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9167    1.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6292   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208   -1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500   -0.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7500    2.4958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -0.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042   -0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9042    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6167   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4375   -1.4167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6375    1.5958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1667   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458   -0.1167    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.9000   -1.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1792   -0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4833   -1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -2.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4958   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8 12  1  0  0  0  0
  9  2  2  0  0  0  0
 10  6  2  0  0  0  0
 11  8  2  0  0  0  0
 12 15  1  0  0  0  0
 13  7  2  0  0  0  0
 14  7  1  0  0  0  0
 15 17  1  0  0  0  0
 16  6  1  0  0  0  0
 17 19  1  0  0  0  0
 18 11  1  0  0  0  0
 19 14  2  0  0  0  0
 20 13  1  0  0  0  0
 21  8  1  0  0  0  0
 22 11  1  0  0  0  0
 23 21  2  0  0  0  0
 24 23  1  0  0  0  0
  3  5  1  0  0  0  0
 17 20  2  0  0  0  0
 24 22  2  0  0  0  0
M  END
>  <Mol_ID> (5,926)
5926

>  <Formula> (5,926)
C18H16ClNO4

>  <MolWeight> (5,926)
345.77694

>  <COMPOUND_NAME> (5,926)
WAY-321946

>  <BAR_CODE_NO> (5,926)
296947

$$$$
WAY-321948
csChFnd80/06171916332D

 27 31  0  0  0  0  0  0  0  0999 V2000
    1.1875   -0.9042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.5375   -1.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042   -2.1042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4500   -1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3500   -1.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0292   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0500   -0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3875   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7500   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6792   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3500    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2792   -1.6792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6500    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3500   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7792   -1.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9500   -0.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9792    0.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2792    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9792   -0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1500   -2.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0792   -1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333   -0.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3458   -2.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7500   -1.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3792   -1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8333   -0.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9333   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  1  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  6  1  0  0  0  0
 10  7  1  0  0  0  0
 11  8  2  0  0  0  0
 12  2  2  0  0  0  0
 13 17  2  0  0  0  0
 14 10  2  0  0  0  0
 15  9  2  0  0  0  0
 16  1  1  0  0  0  0
 17 11  1  0  0  0  0
 18 13  1  0  0  0  0
 19 14  1  0  0  0  0
 20  3  1  0  0  0  0
 21  7  2  0  0  0  0
 22  4  1  0  0  0  0
 23  5  1  0  0  0  0
 24 21  1  0  0  0  0
 25 24  2  0  0  0  0
 26 22  2  0  0  0  0
 27 26  1  0  0  0  0
  3  5  1  0  0  0  0
 23 27  2  0  0  0  0
 13 10  1  0  0  0  0
 14 25  1  0  0  0  0
 19 18  1  0  0  0  0
M  END
>  <Mol_ID> (5,927)
5927

>  <Formula> (5,927)
C23H19NO3

>  <MolWeight> (5,927)
357.40186

>  <COMPOUND_NAME> (5,927)
WAY-321948

>  <BAR_CODE_NO> (5,927)
296949

$$$$
WAY-321949
csChFnd80/06171916332D

 35 39  0  0  0  0  0  0  0  0999 V2000
   -0.7208    0.4958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5500    1.6958    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.1958    1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2833    1.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958    0.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2875    2.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5958   -0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    2.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3042    1.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9375    2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5375    0.9208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9042    3.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833    2.5458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0375    1.2625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042    3.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2375    3.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6125   -1.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8708    2.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6042    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0833    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5375    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8708   -0.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4500   -0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333   -1.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3208   -1.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4833   -2.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6375    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    3.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5708    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6833    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000   -2.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833   -2.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  6  1  0  0  0  0
  9  7  1  0  0  0  0
 10  8  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13  3  2  0  0  0  0
 14  9  2  0  0  0  0
 15 19  2  0  0  0  0
 16  2  1  0  0  0  0
 17  8  2  0  0  0  0
 18 10  2  0  0  0  0
 19 18  1  0  0  0  0
 20 14  1  0  0  0  0
 21  4  1  0  0  0  0
 22 12  1  0  0  0  0
 23  5  1  0  0  0  0
 24 15  1  0  0  0  0
 25  9  1  0  0  0  0
 26 25  2  0  0  0  0
 27 14  1  0  0  0  0
 28 26  1  0  0  0  0
 29 20  1  0  0  0  0
 30 22  1  0  0  0  0
 31 24  1  0  0  0  0
 32 33  1  0  0  0  0
 33 23  2  0  0  0  0
 34 27  2  0  0  0  0
 35 34  1  0  0  0  0
  4  2  1  0  0  0  0
 32 21  2  0  0  0  0
 28 20  2  0  0  0  0
 35 29  2  0  0  0  0
 15 12  1  0  0  0  0
M  END
>  <Mol_ID> (5,928)
5928

>  <Formula> (5,928)
C29H25NO5

>  <MolWeight> (5,928)
467.5125

>  <COMPOUND_NAME> (5,928)
WAY-321949

>  <BAR_CODE_NO> (5,928)
296950

$$$$
WAY-321957
csChFnd80/06171916332D

 29 32  0  0  0  0  0  0  0  0999 V2000
    2.9500   -1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5167   -1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5167   -2.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042   -0.9542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.9500   -2.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042   -2.5875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8042   -0.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042   -2.1875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.2042   -0.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6542   -0.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8042   -2.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042   -1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6000   -2.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875    0.3833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8042   -0.1042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5042    0.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6167    1.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6542   -0.1042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3125   -2.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3667   -1.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6542   -2.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3125   -1.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5958   -3.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0208   -2.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0875   -0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0500   -0.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000   -3.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0208   -3.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  2  0  0  0  0
  6  5  1  0  0  0  0
  7  2  1  0  0  0  0
  8 11  1  0  0  0  0
  9  4  1  0  0  0  0
 10  1  1  0  0  0  0
 11  3  1  0  0  0  0
 12  7  1  0  0  0  0
 13  8  1  0  0  0  0
 14  9  1  0  0  0  0
 15  7  2  0  0  0  0
 16  9  2  0  0  0  0
 17 14  1  0  0  0  0
 18 10  2  0  0  0  0
 19 13  2  0  0  0  0
 20 16  1  0  0  0  0
 21 10  1  0  0  0  0
 22  5  1  0  0  0  0
 23 19  1  0  0  0  0
 24 13  1  0  0  0  0
 25 19  1  0  0  0  0
 26 21  1  0  0  0  0
 27 23  1  0  0  0  0
 28 24  2  0  0  0  0
 29 28  1  0  0  0  0
  2  3  2  0  0  0  0
 20 17  2  0  0  0  0
 12  8  1  0  0  0  0
 29 25  2  0  0  0  0
M  END
>  <Mol_ID> (5,929)
5929

>  <Formula> (5,929)
C23H23NO4S

>  <MolWeight> (5,929)
409.49802

>  <COMPOUND_NAME> (5,929)
WAY-321957

>  <BAR_CODE_NO> (5,929)
296958

$$$$
WAY-321961
csChFnd80/06171916332D

 16 18  0  0  0  0  0  0  0  0999 V2000
    2.8875   -3.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9500   -3.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875   -4.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0042   -3.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9375   -5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   -4.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8167   -3.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0667   -3.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8167   -5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0500   -5.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1167   -3.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9542   -1.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1042   -5.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1875   -3.1667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8167   -1.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9000   -1.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  1  1  0  0  0  0
  8  4  1  0  0  0  0
  9  3  2  0  0  0  0
 10  6  1  0  0  0  0
 11  8  2  0  0  0  0
 12  2  1  0  0  0  0
 13 10  2  0  0  0  0
 14 11  1  0  0  0  0
 15  7  1  0  0  0  0
 16 15  1  0  0  0  0
 16 12  1  0  0  0  0
  6  4  2  0  0  0  0
 13 11  1  0  0  0  0
M  END
>  <Mol_ID> (5,930)
5930

>  <Formula> (5,930)
C12H11NO3

>  <MolWeight> (5,930)
217.22064

>  <COMPOUND_NAME> (5,930)
WAY-321961

>  <BAR_CODE_NO> (5,930)
296962

$$$$
WAY-321969
csChFnd80/06171916332D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -1.4625    0.5208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1208    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8625    1.7625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000    0.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0458    1.7625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8833    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6458    0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4125    0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208    0.7208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6792    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9000    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3375    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9375    1.5625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7167    1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2542    0.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5167    0.2458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4625   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792    1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0542    1.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8792   -0.4792    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.3000    1.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0167    0.5958    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7708   -0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  2  1  0  0  0  0
  7  6  1  0  0  0  0
  8  6  1  0  0  0  0
  9  4  1  0  0  0  0
 10 11  1  0  0  0  0
 11 14  2  0  0  0  0
 12 18  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 19  1  0  0  0  0
 16 12  2  0  0  0  0
 17  1  1  0  0  0  0
 18  9  1  0  0  0  0
 19 21  2  0  0  0  0
 20 10  1  0  0  0  0
 21 14  1  0  0  0  0
 22 15  1  0  0  0  0
 23 17  1  0  0  0  0
  3  5  1  0  0  0  0
  7  8  1  0  0  0  0
 15 10  2  0  0  0  0
M  END
>  <Mol_ID> (5,931)
5931

>  <Formula> (5,931)
C15H16Cl2N4OS

>  <MolWeight> (5,931)
371.28474

>  <COMPOUND_NAME> (5,931)
WAY-321969

>  <BAR_CODE_NO> (5,931)
296970

$$$$
WAY-321992
csChFnd80/06171916332D

 23 25  0  0  0  0  0  0  0  0999 V2000
    1.0542   -0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3125   -0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667   -1.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3125   -1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7500    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0542   -1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542    0.8333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3458    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167    2.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7500    0.8208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208    2.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000   -1.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542    3.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    3.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3458    1.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4375   -0.3667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6958   -0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6958   -1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000   -2.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417   -1.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1500   -1.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  7  2  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9 16  1  0  0  0  0
 10  9  1  0  0  0  0
 11  6  2  0  0  0  0
 12  9  2  0  0  0  0
 13  5  2  0  0  0  0
 14 10  1  0  0  0  0
 15 12  1  0  0  0  0
 16  8  1  0  0  0  0
 17  6  1  0  0  0  0
 18  3  2  0  0  0  0
 19 18  1  0  0  0  0
 20 13  1  0  0  0  0
 21 13  1  0  0  0  0
 22 17  1  0  0  0  0
 23 22  1  0  0  0  0
  5  3  1  0  0  0  0
 20 19  2  0  0  0  0
 15 14  2  0  0  0  0
M  END
>  <Mol_ID> (5,932)
5932

>  <Formula> (5,932)
C18H18N2O3

>  <MolWeight> (5,932)
310.34712

>  <COMPOUND_NAME> (5,932)
WAY-321992

>  <BAR_CODE_NO> (5,932)
296993

$$$$
WAY-321995
csChFnd80/06171916332D

 23 26  0  0  0  0  0  0  0  0999 V2000
    1.4500   -2.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4667   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1875   -1.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   -1.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6500   -2.6500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042   -1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1500   -2.8542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9042   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3875   -0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8667   -2.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6208   -1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3875   -0.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2375   -0.3875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8500    0.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208   -0.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9333   -1.0792    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.9542    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6542   -0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0875   -0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4167    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1500    1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8167   -0.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7500   -0.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  5  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8 10  1  0  0  0  0
  9  4  1  0  0  0  0
 10  7  2  0  0  0  0
 11  3  1  0  0  0  0
 12 18  1  0  0  0  0
 13  6  1  0  0  0  0
 14 21  1  0  0  0  0
 15  9  1  0  0  0  0
 16 11  1  0  0  0  0
 17 13  1  0  0  0  0
 18 17  1  0  0  0  0
 19 12  1  0  0  0  0
 20 12  1  0  0  0  0
 21 20  1  0  0  0  0
 22 19  1  0  0  0  0
 23 16  1  0  0  0  0
  4  3  2  0  0  0  0
  6  8  2  0  0  0  0
 16 15  1  0  0  0  0
 14 22  1  0  0  0  0
M  END
>  <Mol_ID> (5,933)
5933

>  <Formula> (5,933)
C17H24N4OS

>  <MolWeight> (5,933)
332.46366

>  <COMPOUND_NAME> (5,933)
WAY-321995

>  <BAR_CODE_NO> (5,933)
296996

$$$$
WAY-321998
csChFnd80/06171916332D

 25 28  0  0  0  0  0  0  0  0999 V2000
    8.5167   -4.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8042   -5.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1042   -4.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5167   -3.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1000   -3.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9542   -2.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8000   -3.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2500   -2.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3875   -3.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -2.5292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.9667   -3.4042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3875   -5.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2375   -5.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6875   -3.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8042   -5.8167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1500   -1.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6667   -2.1542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9292   -1.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3375   -1.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6875   -4.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2375   -5.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9500   -4.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6542   -5.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9542   -6.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6667   -5.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  2  0  0  0  0
  5  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  4  1  0  0  0  0
  8  6  1  0  0  0  0
  9  5  2  0  0  0  0
 10  8  1  0  0  0  0
 11 14  1  0  0  0  0
 12  3  2  0  0  0  0
 13  1  1  0  0  0  0
 14  9  1  0  0  0  0
 15  2  2  0  0  0  0
 16  8  2  0  0  0  0
 17  6  2  0  0  0  0
 18 10  1  0  0  0  0
 19 16  1  0  0  0  0
 20 12  1  0  0  0  0
 21 13  2  0  0  0  0
 22 13  1  0  0  0  0
 23 22  2  0  0  0  0
 24 21  1  0  0  0  0
 25 23  1  0  0  0  0
  5  3  1  0  0  0  0
 24 25  2  0  0  0  0
 14 20  2  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (5,934)
5934

>  <Formula> (5,934)
C20H12O4S

>  <MolWeight> (5,934)
348.37188

>  <COMPOUND_NAME> (5,934)
WAY-321998

>  <BAR_CODE_NO> (5,934)
296999

$$$$
WAY-322022
csChFnd80/06171916332D

 28 31  0  0  0  0  0  0  0  0999 V2000
    0.8292   -3.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167   -2.5792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292   -1.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292   -2.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0375   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9375    0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792   -1.0875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5792    0.4708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542   -3.5792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542   -3.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167   -0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4875   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8792   -0.9167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2292   -1.3542    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.6833   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1875    0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6833   -3.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708   -0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167    0.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3000   -0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4000   -2.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    0.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4000   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8208   -0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5500    0.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  6  9  1  0  0  0  0
  7  6  1  0  0  0  0
  8  3  1  0  0  0  0
  9 13  1  0  0  0  0
 10  1  2  0  0  0  0
 11  1  2  0  0  0  0
 12  8  1  0  0  0  0
 13 12  2  0  0  0  0
 14  7  2  0  0  0  0
 15  6  2  0  0  0  0
 16 14  1  0  0  0  0
 17  4  2  0  0  0  0
 18  7  1  0  0  0  0
 19  5  2  0  0  0  0
 20 12  1  0  0  0  0
 21 13  1  0  0  0  0
 22 14  1  0  0  0  0
 23 25  2  0  0  0  0
 24 18  2  0  0  0  0
 25 19  1  0  0  0  0
 26 27  1  0  0  0  0
 27 20  2  0  0  0  0
 28 24  1  0  0  0  0
  3  4  1  0  0  0  0
 17 23  1  0  0  0  0
 21 26  2  0  0  0  0
 22 28  2  0  0  0  0
M  END
>  <Mol_ID> (5,935)
5935

>  <Formula> (5,935)
C20H13ClN2O4S

>  <MolWeight> (5,935)
412.84622

>  <COMPOUND_NAME> (5,935)
WAY-322022

>  <BAR_CODE_NO> (5,935)
297023

$$$$
WAY-322033
csChFnd80/06171916332D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.6451   -0.2481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5969   -0.7584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2859   -0.7584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6451    0.8485    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5969   -1.8515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6141   -0.4481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2859   -1.8515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2031   -0.2481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2859    1.3657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6451   -2.3964    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6141   -2.1964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2244   -1.3343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2031   -2.3964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1411   -0.7584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2859    2.4485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2031    0.8485    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1411   -1.8515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2031    2.9657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2031    4.0485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1411    4.5726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
  9 16  2  0  0  0  0
 13 17  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
  7 10  2  0  0  0  0
 11 12  1  0  0  0  0
 14 17  1  0  0  0  0
M  END
>  <Mol_ID> (5,936)
5936

>  <Formula> (5,936)
C17H24N2O

>  <MolWeight> (5,936)
272.38526

>  <COMPOUND_NAME> (5,936)
WAY-322033

>  <BAR_CODE_NO> (5,936)
297034

$$$$
WAY-322035-A
csChFnd80/06171916332D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.1684   -0.0452    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5684    0.1824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2316    0.1824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1684   -0.5176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5684    0.6548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0063    0.0444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2316    0.6548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6696    0.0444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2316   -0.7452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1684    0.8824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0063    0.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2684    0.4099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6696    0.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9316    0.4099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2316   -1.2176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6316   -0.5176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1684    1.3548    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6316   -1.4452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6316   -1.9176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
  9 16  2  0  0  0  0
 10 17  2  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
  7 10  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (5,937)
5937

>  <Formula> (5,937)
C15H20N2O2

>  <MolWeight> (5,937)
260.3315

>  <COMPOUND_NAME> (5,937)
WAY-322035-A

>  <BAR_CODE_NO> (5,937)
297036

$$$$
WAY-322037-A
csChFnd80/06171916332D

 19 21  0  0  0  0  0  0  0  0999 V2000
    1.9096   -0.5818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7337    0.1147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9096   -1.9163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1958   -0.1577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4283   -0.5611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7337    1.4595    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7337   -2.6025    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1958   -2.3474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0027   -1.2577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4283   -1.9267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5870    0.1147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4283    2.1354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5870   -2.6025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7835   -0.5818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4283    3.5009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6076    1.4492    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7835   -1.9163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5870    4.1768    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7663    3.5009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
 14 17  1  0  0  0  0
M  END
>  <Mol_ID> (5,938)
5938

>  <Formula> (5,938)
C15H21N3O

>  <MolWeight> (5,938)
259.34674

>  <COMPOUND_NAME> (5,938)
WAY-322037-A

>  <BAR_CODE_NO> (5,938)
297038

$$$$
WAY-322038-A
csChFnd80/06171916332D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -1.3458   -0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458   -2.3042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333   -1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0500   -1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333   -1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0500   -1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458    0.1625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667    0.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7875    0.5833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8042   -1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7708   -0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792   -2.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7708   -2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8042   -1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7875    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4833   -1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4833   -1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  6  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  2  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
 11 10  1  0  0  0  0
 12  3  1  0  0  0  0
 13  4  1  0  0  0  0
 14  5  1  0  0  0  0
 15  6  1  0  0  0  0
 16 12  1  0  0  0  0
 17 11  1  0  0  0  0
 18 11  1  0  0  0  0
 19 13  1  0  0  0  0
 20 19  1  0  0  0  0
  2  5  2  0  0  0  0
 14 16  1  0  0  0  0
 20 15  1  0  0  0  0
M  END
>  <Mol_ID> (5,939)
5939

>  <Formula> (5,939)
C16H23N3O

>  <MolWeight> (5,939)
273.37332

>  <COMPOUND_NAME> (5,939)
WAY-322038-A

>  <BAR_CODE_NO> (5,939)
297039

$$$$
WAY-322042
csChFnd80/06171916332D

 26 29  0  0  0  0  0  0  0  0999 V2000
    2.6875   -0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0292   -1.3167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3875   -0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3875   -0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6875   -0.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0375    0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2292   -1.4542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7375   -1.3167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1792   -2.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000   -0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9167   -2.1375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000   -0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8000   -2.6875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.3375    0.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0375    0.9208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6875   -3.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0542   -2.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0542   -3.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5500   -1.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3375    0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875   -0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458   -3.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6375    0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6375    0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  6  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7  1  2  0  0  0  0
  8  3  1  0  0  0  0
  9  2  1  0  0  0  0
 10  4  1  0  0  0  0
 11  7  1  0  0  0  0
 12  8  1  0  0  0  0
 13  9  1  0  0  0  0
 14  5  1  0  0  0  0
 15  6  2  0  0  0  0
 16 17  1  0  0  0  0
 17 13  1  0  0  0  0
 18 16  2  0  0  0  0
 19 10  1  0  0  0  0
 20 12  1  0  0  0  0
 21 14  1  0  0  0  0
 22 14  2  0  0  0  0
 23 16  1  0  0  0  0
 24 21  2  0  0  0  0
 25 22  1  0  0  0  0
 26 25  2  0  0  0  0
 11  9  2  0  0  0  0
  4  3  2  0  0  0  0
 12 10  2  0  0  0  0
 26 24  1  0  0  0  0
M  END
>  <Mol_ID> (5,940)
5940

>  <Formula> (5,940)
C19H18N4OS2

>  <MolWeight> (5,940)
382.50242

>  <COMPOUND_NAME> (5,940)
WAY-322042

>  <BAR_CODE_NO> (5,940)
297043

$$$$
WAY-322044
csChFnd80/06171916332D

 25 28  0  0  0  0  0  0  0  0999 V2000
    2.6875   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0292   -1.0875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3875   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3875    0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6875    0.0208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0375    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2292   -1.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7375   -1.0875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1792   -1.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000    0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9167   -1.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3375    0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0375    1.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6667   -2.3667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833    0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5500   -1.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3375    1.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875    0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167   -2.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5500   -3.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833   -3.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875    1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6375    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6375    1.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  6  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7  1  2  0  0  0  0
  8  3  1  0  0  0  0
  9  2  1  0  0  0  0
 10  4  1  0  0  0  0
 11  7  1  0  0  0  0
 12  8  1  0  0  0  0
 13  5  1  0  0  0  0
 14  6  2  0  0  0  0
 15  9  1  0  0  0  0
 16 10  1  0  0  0  0
 17 12  1  0  0  0  0
 18 13  1  0  0  0  0
 19 13  2  0  0  0  0
 20 15  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 18  2  0  0  0  0
 24 19  1  0  0  0  0
 25 24  2  0  0  0  0
 11  9  2  0  0  0  0
  4  3  2  0  0  0  0
 12 10  2  0  0  0  0
 25 23  1  0  0  0  0
M  END
>  <Mol_ID> (5,941)
5941

>  <Formula> (5,941)
C18H18N4OS2

>  <MolWeight> (5,941)
370.49172

>  <COMPOUND_NAME> (5,941)
WAY-322044

>  <BAR_CODE_NO> (5,941)
297045

$$$$
WAY-322075
csChFnd80/06171916332D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -1.1125    1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1000    1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042    2.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1125    2.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1000    3.1208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0333    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0333    3.3583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9625    1.7458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9625    2.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833   -1.9792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667    1.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0333    0.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542   -3.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1125   -0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1125   -1.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7375   -1.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833   -3.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542   -1.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7375   -3.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5167    2.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5292    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5875    2.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0792    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  2  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8  6  2  0  0  0  0
  9  8  1  0  0  0  0
 10 15  1  0  0  0  0
 11  2  1  0  0  0  0
 12  6  1  0  0  0  0
 13 19  1  0  0  0  0
 14 12  1  0  0  0  0
 15 14  1  0  0  0  0
 16 10  1  0  0  0  0
 17 10  1  0  0  0  0
 18 16  1  0  0  0  0
 19 17  1  0  0  0  0
 20 11  1  0  0  0  0
 21 11  2  0  0  0  0
 22 21  1  0  0  0  0
 23 20  2  0  0  0  0
 24 22  2  0  0  0  0
  5  3  1  0  0  0  0
  9  7  2  0  0  0  0
 24 23  1  0  0  0  0
 18 13  1  0  0  0  0
M  END
>  <Mol_ID> (5,942)
5942

>  <Formula> (5,942)
C18H20N4OS

>  <MolWeight> (5,942)
340.4426

>  <COMPOUND_NAME> (5,942)
WAY-322075

>  <BAR_CODE_NO> (5,942)
297076

$$$$
WAY-322085
csChFnd80/06171916332D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -3.1333    1.8958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8958    2.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4500    1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0708    2.6958    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9833   -1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9000    1.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6000   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7958    1.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3958    3.3333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4458    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4333    0.5958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0625    0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1333   -1.8792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2000   -0.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3833   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0000   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8500    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  7  1  0  0  0  0
  6  1  1  0  0  0  0
  7 10  2  0  0  0  0
  8  3  1  0  0  0  0
  9  2  2  0  0  0  0
 10 12  1  0  0  0  0
 11  3  2  0  0  0  0
 12  6  1  0  0  0  0
 13  5  2  0  0  0  0
 14  5  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 12  2  0  0  0  0
  4  8  1  0  0  0  0
 15  7  1  0  0  0  0
M  END
>  <Mol_ID> (5,943)
5943

>  <Formula> (5,943)
C11H9NO4S

>  <MolWeight> (5,943)
251.25846

>  <COMPOUND_NAME> (5,943)
WAY-322085

>  <BAR_CODE_NO> (5,943)
297086

$$$$
WAY-322089
csChFnd80/06171916332D

 28 32  0  0  0  0  0  0  0  0999 V2000
   -0.7625    2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333    1.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2625    2.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000    1.5208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5125    2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667    2.7958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458    1.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458    1.2333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.0708    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.4292    1.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7375    1.2333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4792    1.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9792    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9875    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6375    2.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9833    2.0708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4708    1.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0125    2.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958    3.6708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7500    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7167    0.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2167    0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2500   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7500    2.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0167   -1.2167    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.9500    0.5125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.7125    1.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  5  2  0  0  0  0
  8  2  1  0  0  0  0
  9  6  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 10  2  0  0  0  0
 15 14  1  0  0  0  0
 16 25  1  0  0  0  0
 17  7  1  0  0  0  0
 18  5  1  0  0  0  0
 19  3  2  0  0  0  0
 20 13  1  0  0  0  0
 21 13  2  0  0  0  0
 22 21  1  0  0  0  0
 23 20  2  0  0  0  0
 24 22  2  0  0  0  0
 25 18  1  0  0  0  0
 26 23  1  0  0  0  0
 27 22  1  0  0  0  0
 28 16  1  0  0  0  0
  7  8  1  0  0  0  0
 16 17  1  0  0  0  0
  4  9  1  0  0  0  0
 12 15  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (5,944)
5944

>  <Formula> (5,944)
C20H17Cl2N3O2S

>  <MolWeight> (5,944)
434.33888

>  <COMPOUND_NAME> (5,944)
WAY-322089

>  <BAR_CODE_NO> (5,944)
297090

$$$$
WAY-322096
csChFnd80/06171916332D

 26 29  0  0  0  0  0  0  0  0999 V2000
    6.0000   -3.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3500   -3.8042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.7000   -3.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6375   -3.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3000   -3.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3500   -4.5542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6042   -2.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0042   -3.7375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.7000   -4.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000   -2.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -3.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7000   -5.6667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9500   -3.8042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8667   -2.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3000   -2.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6375   -2.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0500   -4.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6375   -4.5542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0500   -6.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4000   -4.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1667   -2.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6000   -3.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4000   -5.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9500   -2.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7500   -4.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6000   -2.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  2  0  0  0  0
  5  4  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  2  0  0  0  0
  8  3  1  0  0  0  0
  9  6  1  0  0  0  0
 10  1  1  0  0  0  0
 11  8  1  0  0  0  0
 12  9  2  0  0  0  0
 13  5  2  0  0  0  0
 14  7  1  0  0  0  0
 15 16  1  0  0  0  0
 16 10  2  0  0  0  0
 17  9  1  0  0  0  0
 18  4  1  0  0  0  0
 19 12  1  0  0  0  0
 20 17  2  0  0  0  0
 21  7  1  0  0  0  0
 22 13  1  0  0  0  0
 23 20  1  0  0  0  0
 24 15  2  0  0  0  0
 25 20  1  0  0  0  0
 26 24  1  0  0  0  0
 15  5  1  0  0  0  0
 11 14  2  0  0  0  0
 26 22  2  0  0  0  0
 19 23  2  0  0  0  0
M  END
>  <Mol_ID> (5,945)
5945

>  <Formula> (5,945)
C21H19N3OS

>  <MolWeight> (5,945)
361.46006

>  <COMPOUND_NAME> (5,945)
WAY-322096

>  <BAR_CODE_NO> (5,945)
297097

$$$$
WAY-322099
csChFnd80/06171916332D

 26 30  0  0  0  0  0  0  0  0999 V2000
    4.0167   -3.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4375   -3.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8792   -4.7292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7500   -3.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0875   -3.1667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.7292   -3.7542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7792   -2.4792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4500   -2.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1667   -4.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0500   -2.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6000   -4.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8375   -3.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9792   -2.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2292   -2.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3375   -3.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000   -2.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0667   -3.0875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1667   -2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2000   -3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9500   -3.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0375   -5.7167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.7500   -2.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9500   -1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3292   -5.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6542   -1.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2542   -1.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  2  1  0  0  0  0
  7  5  1  0  0  0  0
  8  2  1  0  0  0  0
  9  3  2  0  0  0  0
 10  8  2  0  0  0  0
 11  9  1  0  0  0  0
 12  5  1  0  0  0  0
 13 14  1  0  0  0  0
 14 12  2  0  0  0  0
 15 20  1  0  0  0  0
 16 13  1  0  0  0  0
 17 15  1  0  0  0  0
 18 16  1  0  0  0  0
 19 12  1  0  0  0  0
 20 19  2  0  0  0  0
 21  9  1  0  0  0  0
 22  8  1  0  0  0  0
 23 10  1  0  0  0  0
 24 21  1  0  0  0  0
 25 22  2  0  0  0  0
 26 25  1  0  0  0  0
  6 11  2  0  0  0  0
  7 10  1  0  0  0  0
 23 26  2  0  0  0  0
 15 13  2  0  0  0  0
 18 17  1  0  0  0  0
M  END
>  <Mol_ID> (5,946)
5946

>  <Formula> (5,946)
C18H14N4O3S

>  <MolWeight> (5,946)
366.39376

>  <COMPOUND_NAME> (5,946)
WAY-322099

>  <BAR_CODE_NO> (5,946)
297100

$$$$
WAY-322102
csChFnd80/06171916332D

 28 32  0  0  0  0  0  0  0  0999 V2000
    4.3792   -4.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8667   -3.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5500   -3.4542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.1542   -4.8542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2875   -3.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1375   -4.0792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3375   -2.7375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1292   -3.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875   -2.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4167   -5.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6375   -2.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7542   -2.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5667   -4.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9000   -4.4542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000   -3.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3042   -4.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7667   -3.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7042   -5.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4667   -4.0667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4375   -4.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000   -5.7375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.4875   -2.2875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.3375   -2.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6375   -1.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4667   -5.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3375   -1.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9542   -5.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875   -1.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  6  1  0  0  0  0
  4  1  2  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  2  2  0  0  0  0
  9  2  1  0  0  0  0
 10  4  1  0  0  0  0
 11  9  1  0  0  0  0
 12  5  2  0  0  0  0
 13  5  1  0  0  0  0
 14 10  2  0  0  0  0
 15 12  1  0  0  0  0
 16 13  2  0  0  0  0
 17 16  1  0  0  0  0
 18 16  1  0  0  0  0
 19 17  1  0  0  0  0
 20 18  1  0  0  0  0
 21 10  1  0  0  0  0
 22 12  1  0  0  0  0
 23  9  2  0  0  0  0
 24 11  2  0  0  0  0
 25 21  1  0  0  0  0
 26 23  1  0  0  0  0
 27 25  1  0  0  0  0
 28 26  2  0  0  0  0
  8 14  1  0  0  0  0
  7 11  1  0  0  0  0
 24 28  1  0  0  0  0
 17 15  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (5,947)
5947

>  <Formula> (5,947)
C19H15ClN4O3S

>  <MolWeight> (5,947)
414.8654

>  <COMPOUND_NAME> (5,947)
WAY-322102

>  <BAR_CODE_NO> (5,947)
297103

$$$$
WAY-322113
csChFnd80/06171916332D

 26 29  0  0  0  0  0  0  0  0999 V2000
    5.3167   -4.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0042   -3.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8792   -5.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2667   -3.6792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0375   -4.6375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3500   -3.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6542   -3.4375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1292   -4.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0875   -2.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6375   -4.1875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.8167   -4.2792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6000   -4.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3042   -4.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9375   -4.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2667   -4.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7167   -5.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8000   -4.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4542   -5.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6875   -5.5792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8500   -2.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3292   -2.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9375   -5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6375   -4.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1000   -1.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8375   -1.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8875   -4.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7 10  1  0  0  0  0
  8  3  2  0  0  0  0
  9  6  2  0  0  0  0
 10  5  1  0  0  0  0
 11  8  1  0  0  0  0
 12 14  1  0  0  0  0
 13 10  1  0  0  0  0
 14 13  2  0  0  0  0
 15 12  1  0  0  0  0
 16 12  2  0  0  0  0
 17 15  1  0  0  0  0
 18 16  1  0  0  0  0
 19  8  1  0  0  0  0
 20  6  1  0  0  0  0
 21  9  1  0  0  0  0
 22 19  1  0  0  0  0
 23 22  1  0  0  0  0
 24 20  2  0  0  0  0
 25 24  1  0  0  0  0
 26 23  1  0  0  0  0
  4 11  2  0  0  0  0
  7  9  1  0  0  0  0
 21 25  2  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (5,948)
5948

>  <Formula> (5,948)
C19H18N4O2S

>  <MolWeight> (5,948)
366.43682

>  <COMPOUND_NAME> (5,948)
WAY-322113

>  <BAR_CODE_NO> (5,948)
297114

$$$$
WAY-322169
csChFnd80/06171916332D

 26 29  0  0  0  0  0  0  0  0999 V2000
    5.3375   -3.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9875   -3.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6375   -3.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6875   -3.8167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.3000   -3.8167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6875   -4.5667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3375   -2.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0375   -3.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0375   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6375   -2.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0375   -5.6875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3875   -2.3167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9875   -2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9500   -3.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3000   -2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9875   -4.5667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9500   -2.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0375   -2.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3875   -3.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3875   -6.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7375   -2.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3875   -4.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6000   -3.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7375   -3.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7375   -5.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7375   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  2  0  0  0  0
  6  4  1  0  0  0  0
  7  1  1  0  0  0  0
  8  4  1  0  0  0  0
  9  6  1  0  0  0  0
 10 13  1  0  0  0  0
 11  9  2  0  0  0  0
 12 18  2  0  0  0  0
 13  7  2  0  0  0  0
 14  5  1  0  0  0  0
 15 10  2  0  0  0  0
 16  2  1  0  0  0  0
 17 15  1  0  0  0  0
 18  8  1  0  0  0  0
 19  8  2  0  0  0  0
 20 11  1  0  0  0  0
 21 24  2  0  0  0  0
 22  9  1  0  0  0  0
 23 14  1  0  0  0  0
 24 19  1  0  0  0  0
 25 26  1  0  0  0  0
 26 22  2  0  0  0  0
 10  3  1  0  0  0  0
 17 14  2  0  0  0  0
 21 12  1  0  0  0  0
 20 25  2  0  0  0  0
M  END
>  <Mol_ID> (5,949)
5949

>  <Formula> (5,949)
C21H18N4O

>  <MolWeight> (5,949)
342.39382

>  <COMPOUND_NAME> (5,949)
WAY-322169

>  <BAR_CODE_NO> (5,949)
297170

$$$$
WAY-322172
csChFnd80/06171916332D

 27 30  0  0  0  0  0  0  0  0999 V2000
    7.0792   -3.9542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0500   -4.7042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.7292   -4.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4500   -5.1542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4292   -4.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5042   -3.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2875   -5.5667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7667   -3.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6792   -4.1917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5375   -5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7167   -5.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7542   -3.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2375   -4.8042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8292   -5.7875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.3875   -4.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5667   -5.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8375   -2.9042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9167   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1000   -6.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0500   -5.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3042   -5.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7500   -2.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2667   -3.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3667   -4.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3542   -6.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2500   -2.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5042   -2.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  2  1  0  0  0  0
  5  8  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  6  2  0  0  0  0
  9  5  1  0  0  0  0
 10  7  2  0  0  0  0
 11  2  1  0  0  0  0
 12  1  1  0  0  0  0
 13  9  2  0  0  0  0
 14 11  1  0  0  0  0
 15 11  2  0  0  0  0
 16 14  1  0  0  0  0
 17 12  2  0  0  0  0
 18 15  1  0  0  0  0
 19 10  1  0  0  0  0
 20 25  1  0  0  0  0
 21 20  2  0  0  0  0
 22  6  1  0  0  0  0
 23  8  1  0  0  0  0
 24 12  1  0  0  0  0
 25 19  1  0  0  0  0
 26 22  2  0  0  0  0
 27 26  1  0  0  0  0
  3  5  2  0  0  0  0
 23 27  2  0  0  0  0
 16 18  2  0  0  0  0
 10 13  1  0  0  0  0
M  END
>  <Mol_ID> (5,950)
5950

>  <Formula> (5,950)
C19H16N4O2S2

>  <MolWeight> (5,950)
396.48594

>  <COMPOUND_NAME> (5,950)
WAY-322172

>  <BAR_CODE_NO> (5,950)
297173

$$$$
WAY-322175
csChFnd80/06171916332D

 26 29  0  0  0  0  0  0  0  0999 V2000
    5.3375   -3.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9875   -3.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6375   -3.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6875   -3.8167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.3000   -3.8167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6875   -4.5667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3375   -2.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0375   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0375   -3.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6375   -2.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0375   -5.6875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0375   -2.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9875   -2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9500   -3.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3000   -2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9875   -4.5667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9500   -2.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3875   -6.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3875   -2.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3875   -4.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3875   -3.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6000   -3.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7375   -5.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7375   -2.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7375   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7375   -3.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  2  0  0  0  0
  6  4  1  0  0  0  0
  7  1  1  0  0  0  0
  8  6  1  0  0  0  0
  9  4  1  0  0  0  0
 10 13  1  0  0  0  0
 11  8  2  0  0  0  0
 12  9  1  0  0  0  0
 13  7  2  0  0  0  0
 14  5  1  0  0  0  0
 15 10  2  0  0  0  0
 16  2  1  0  0  0  0
 17 15  1  0  0  0  0
 18 11  1  0  0  0  0
 19 12  2  0  0  0  0
 20  8  1  0  0  0  0
 21  9  2  0  0  0  0
 22 14  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 20  2  0  0  0  0
 26 21  1  0  0  0  0
 10  3  1  0  0  0  0
 17 14  2  0  0  0  0
 24 19  1  0  0  0  0
 18 23  2  0  0  0  0
M  END
>  <Mol_ID> (5,951)
5951

>  <Formula> (5,951)
C21H18N4O

>  <MolWeight> (5,951)
342.39382

>  <COMPOUND_NAME> (5,951)
WAY-322175

>  <BAR_CODE_NO> (5,951)
297176

$$$$
WAY-322180
csChFnd80/06171916332D

 28 31  0  0  0  0  0  0  0  0999 V2000
    5.3375   -3.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9875   -3.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6875   -3.4500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.6375   -3.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3000   -3.4500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3875   -3.4500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0375   -3.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6875   -4.1917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0375   -5.3167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0375   -4.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3375   -2.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6375   -2.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9875   -1.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9500   -3.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7375   -3.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3000   -1.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9875   -4.1917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3875   -5.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9500   -2.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0375   -2.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3875   -4.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3875   -1.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7375   -4.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7375   -2.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7375   -5.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6000   -3.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0875   -3.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3875   -6.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  2  0  0  0  0
  6  7  2  0  0  0  0
  7  3  1  0  0  0  0
  8  3  1  0  0  0  0
  9 10  2  0  0  0  0
 10  8  1  0  0  0  0
 11  1  1  0  0  0  0
 12 13  1  0  0  0  0
 13 11  2  0  0  0  0
 14  5  1  0  0  0  0
 15  6  1  0  0  0  0
 16 12  2  0  0  0  0
 17  2  1  0  0  0  0
 18  9  1  0  0  0  0
 19 16  1  0  0  0  0
 20  7  1  0  0  0  0
 21 10  1  0  0  0  0
 22 20  2  0  0  0  0
 23 21  2  0  0  0  0
 24 22  1  0  0  0  0
 25 23  1  0  0  0  0
 26 14  1  0  0  0  0
 27 15  1  0  0  0  0
 28 18  1  0  0  0  0
 12  4  1  0  0  0  0
 19 14  2  0  0  0  0
 15 24  2  0  0  0  0
 18 25  2  0  0  0  0
M  END
>  <Mol_ID> (5,952)
5952

>  <Formula> (5,952)
C23H22N4O

>  <MolWeight> (5,952)
370.44698

>  <COMPOUND_NAME> (5,952)
WAY-322180

>  <BAR_CODE_NO> (5,952)
297181

$$$$
WAY-322190
csChFnd80/06171916332D

 27 30  0  0  0  0  0  0  0  0999 V2000
    5.3375   -2.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9875   -3.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6375   -2.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6875   -3.0667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.3000   -3.0667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6875   -3.8167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0375   -4.9375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0375   -4.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3375   -1.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0375   -2.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6375   -1.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0375   -1.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9875   -1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9500   -2.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3000   -1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9875   -3.8167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3875   -5.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9500   -1.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3875   -3.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7375   -4.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3875   -1.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3875   -3.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7375   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6000   -3.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3875   -6.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7375   -1.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7375   -2.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  2  0  0  0  0
  6  4  1  0  0  0  0
  7  8  2  0  0  0  0
  8  6  1  0  0  0  0
  9  1  1  0  0  0  0
 10  4  1  0  0  0  0
 11 13  1  0  0  0  0
 12 10  1  0  0  0  0
 13  9  2  0  0  0  0
 14  5  1  0  0  0  0
 15 11  2  0  0  0  0
 16  2  1  0  0  0  0
 17  7  1  0  0  0  0
 18 15  1  0  0  0  0
 19  8  1  0  0  0  0
 20 19  2  0  0  0  0
 21 12  2  0  0  0  0
 22 10  2  0  0  0  0
 23 20  1  0  0  0  0
 24 14  1  0  0  0  0
 25 17  1  0  0  0  0
 26 27  2  0  0  0  0
 27 22  1  0  0  0  0
  3 11  1  0  0  0  0
 14 18  2  0  0  0  0
 21 26  1  0  0  0  0
 23 17  2  0  0  0  0
M  END
>  <Mol_ID> (5,953)
5953

>  <Formula> (5,953)
C22H20N4O

>  <MolWeight> (5,953)
356.4204

>  <COMPOUND_NAME> (5,953)
WAY-322190

>  <BAR_CODE_NO> (5,953)
297191

$$$$
WAY-322192
csChFnd80/06171916332D

 28 32  0  0  0  0  0  0  0  0999 V2000
    5.4167   -4.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4875   -3.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6792   -3.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9167   -5.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1042   -4.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1167   -3.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8292   -3.8042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4167   -6.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8167   -2.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6292   -4.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3667   -2.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6375   -5.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6542   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8167   -1.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3042   -3.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -2.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -2.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0667   -1.0375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4375   -1.3875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9167   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4792   -2.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1375   -2.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9167   -6.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8875   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000   -4.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9542   -1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8000   -1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000   -5.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  2  2  0  0  0  0
  6  3  1  0  0  0  0
  7  5  1  0  0  0  0
  8  4  1  0  0  0  0
  9  2  1  0  0  0  0
 10  1  1  0  0  0  0
 11  6  2  0  0  0  0
 12 10  1  0  0  0  0
 13  9  2  0  0  0  0
 14 11  1  0  0  0  0
 15  6  1  0  0  0  0
 16 17  1  0  0  0  0
 17 15  2  0  0  0  0
 18 14  1  0  0  0  0
 19 16  1  0  0  0  0
 20 10  2  0  0  0  0
 21  9  1  0  0  0  0
 22 13  1  0  0  0  0
 23 12  2  0  0  0  0
 24 18  1  0  0  0  0
 25 20  1  0  0  0  0
 26 21  2  0  0  0  0
 27 26  1  0  0  0  0
 28 25  2  0  0  0  0
  8 12  1  0  0  0  0
 28 23  1  0  0  0  0
 13  7  1  0  0  0  0
 14 16  2  0  0  0  0
 22 27  2  0  0  0  0
M  END
>  <Mol_ID> (5,954)
5954

>  <Formula> (5,954)
C24H20N2O2

>  <MolWeight> (5,954)
368.4278

>  <COMPOUND_NAME> (5,954)
WAY-322192

>  <BAR_CODE_NO> (5,954)
297193

$$$$
WAY-322195
csChFnd80/06171916332D

 25 29  0  0  0  0  0  0  0  0999 V2000
    5.4167   -4.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4875   -3.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6792   -3.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9167   -5.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1042   -4.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4167   -6.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8292   -3.8042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6292   -4.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8167   -2.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6375   -5.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6542   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1167   -3.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3042   -3.4167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4792   -2.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9167   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -2.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1375   -2.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9167   -6.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3667   -2.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000   -4.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9542   -1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -2.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000   -5.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8000   -1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8167   -1.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  2  2  0  0  0  0
  6  4  1  0  0  0  0
  7  5  1  0  0  0  0
  8  1  1  0  0  0  0
  9  2  1  0  0  0  0
 10  8  1  0  0  0  0
 11  9  2  0  0  0  0
 12  3  1  0  0  0  0
 13 12  1  0  0  0  0
 14  9  1  0  0  0  0
 15  8  2  0  0  0  0
 16 13  2  0  0  0  0
 17 11  1  0  0  0  0
 18 10  2  0  0  0  0
 19 12  2  0  0  0  0
 20 15  1  0  0  0  0
 21 14  2  0  0  0  0
 22 25  2  0  0  0  0
 23 20  2  0  0  0  0
 24 21  1  0  0  0  0
 25 19  1  0  0  0  0
  6 10  1  0  0  0  0
 23 18  1  0  0  0  0
 11  7  1  0  0  0  0
 16 22  1  0  0  0  0
 17 24  2  0  0  0  0
M  END
>  <Mol_ID> (5,955)
5955

>  <Formula> (5,955)
C22H17N3

>  <MolWeight> (5,955)
323.39048

>  <COMPOUND_NAME> (5,955)
WAY-322195

>  <BAR_CODE_NO> (5,955)
297196

$$$$
WAY-322197
csChFnd80/06171916332D

 30 33  0  0  0  0  0  0  0  0999 V2000
    7.6000   -3.5792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5792   -4.3292    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.2500   -4.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9667   -4.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9500   -3.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0292   -3.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8167   -5.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2875   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2500   -4.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2000   -3.8167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3500   -5.4167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0667   -5.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2875   -3.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7542   -4.4292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9167   -4.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1000   -5.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4500   -4.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3667   -2.5292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6167   -5.7292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2667   -2.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7875   -2.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8167   -5.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9000   -3.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8792   -5.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5667   -4.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5167   -4.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7667   -1.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0375   -1.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8292   -4.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792   -4.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  2  1  0  0  0  0
  5  8  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  6  2  0  0  0  0
  9  2  1  0  0  0  0
 10  5  1  0  0  0  0
 11  9  1  0  0  0  0
 12  7  2  0  0  0  0
 13  1  1  0  0  0  0
 14 10  2  0  0  0  0
 15  9  2  0  0  0  0
 16 11  1  0  0  0  0
 17 15  1  0  0  0  0
 18 13  2  0  0  0  0
 19 12  1  0  0  0  0
 20  6  1  0  0  0  0
 21  8  1  0  0  0  0
 22 11  1  0  0  0  0
 23 13  1  0  0  0  0
 24 19  1  0  0  0  0
 25 24  1  0  0  0  0
 26 29  1  0  0  0  0
 27 20  2  0  0  0  0
 28 27  1  0  0  0  0
 29 25  1  0  0  0  0
 30 26  1  0  0  0  0
  5  3  2  0  0  0  0
 28 21  2  0  0  0  0
 16 17  2  0  0  0  0
 14 12  1  0  0  0  0
M  END
>  <Mol_ID> (5,956)
5956

>  <Formula> (5,956)
C22H25N5O2S

>  <MolWeight> (5,956)
423.5312

>  <COMPOUND_NAME> (5,956)
WAY-322197

>  <BAR_CODE_NO> (5,956)
297198

$$$$
WAY-322225
csChFnd80/06171916332D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.8542    0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2792    0.2083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5667    0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8542   -0.6292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417    0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2792   -0.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5667   -1.0375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4250    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -1.0375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5625    1.4375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167   -0.6292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -1.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417    1.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7125   -2.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2875    0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7125   -3.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4250   -1.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4250    1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2875    1.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1375   -2.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4250   -3.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1417   -3.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  1  1  0  0  0  0
  6  7  2  0  0  0  0
  7  4  1  0  0  0  0
  8  5  2  0  0  0  0
  9  6  1  0  0  0  0
 10  3  1  0  0  0  0
 11  8  1  0  0  0  0
 12  9  1  0  0  0  0
 13  5  1  0  0  0  0
 14 12  1  0  0  0  0
 15  8  1  0  0  0  0
 16 14  2  0  0  0  0
 17 14  1  0  0  0  0
 18 13  2  0  0  0  0
 19 18  1  0  0  0  0
 20 17  2  0  0  0  0
 21 16  1  0  0  0  0
 22 20  1  0  0  0  0
  6  2  1  0  0  0  0
 15 19  2  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (5,957)
5957

>  <Formula> (5,957)
C16H14N4OS

>  <MolWeight> (5,957)
310.37356

>  <COMPOUND_NAME> (5,957)
WAY-322225

>  <BAR_CODE_NO> (5,957)
297226

$$$$
WAY-322231
csChFnd80/06171916332D

 28 32  0  0  0  0  0  0  0  0999 V2000
    0.0408   -1.2287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1075   -0.2620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2908   -0.4412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5283   -1.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7283   -0.8120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2717    0.1838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4450   -0.3912    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0408   -2.5787    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4408    0.5088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7550   -1.4912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0092    0.9713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7550   -2.3287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2700    0.4213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5717    1.5880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0800    0.0005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3925    1.4088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6425    0.6088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3092    2.3713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9425    2.0213    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4717   -1.0787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0908    1.2588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7575    1.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4717   -2.7287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6925    2.8088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1800   -1.4912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5783    1.9380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4075    1.8588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1800   -2.3162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  2  2  0  0  0  0
  6  3  1  0  0  0  0
  7  5  1  0  0  0  0
  8  4  1  0  0  0  0
  9  2  1  0  0  0  0
 10  1  1  0  0  0  0
 11  6  2  0  0  0  0
 12 10  1  0  0  0  0
 13  9  2  0  0  0  0
 14 11  1  0  0  0  0
 15  6  1  0  0  0  0
 16 17  1  0  0  0  0
 17 15  2  0  0  0  0
 18 14  1  0  0  0  0
 19 16  1  0  0  0  0
 20 10  2  0  0  0  0
 21  9  1  0  0  0  0
 22 13  1  0  0  0  0
 23 12  2  0  0  0  0
 24 19  1  0  0  0  0
 25 20  1  0  0  0  0
 26 21  2  0  0  0  0
 27 26  1  0  0  0  0
 28 25  2  0  0  0  0
 12  8  1  0  0  0  0
 23 28  1  0  0  0  0
  7 13  1  0  0  0  0
 16 14  2  0  0  0  0
 27 22  2  0  0  0  0
M  END
>  <Mol_ID> (5,958)
5958

>  <Formula> (5,958)
C24H20N2O2

>  <MolWeight> (5,958)
368.4278

>  <COMPOUND_NAME> (5,958)
WAY-322231

>  <BAR_CODE_NO> (5,958)
297232

$$$$
WAY-322243
csChFnd80/06171916332D

 23 25  0  0  0  0  0  0  0  0999 V2000
    5.4000   -1.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0042   -2.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7792   -2.0542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.1542   -1.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6292   -1.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7667   -2.7667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4000   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5042   -2.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.1542   -3.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2375   -2.0542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0792   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0292   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6292   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0042   -0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3792   -0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5500   -2.7542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0042   -2.7667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1542   -3.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8500   -1.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2375   -0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5375   -4.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8500   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5375   -4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  2  0  0  0  0
  6  3  1  0  0  0  0
  7  1  2  0  0  0  0
  8  4  1  0  0  0  0
  9  6  1  0  0  0  0
 10  5  1  0  0  0  0
 11  4  2  0  0  0  0
 12  8  1  0  0  0  0
 13 14  2  0  0  0  0
 14  7  1  0  0  0  0
 15 11  1  0  0  0  0
 16  9  2  0  0  0  0
 17  2  1  0  0  0  0
 18  9  1  0  0  0  0
 19 10  2  0  0  0  0
 20 13  1  0  0  0  0
 21 18  1  0  0  0  0
 22 20  2  0  0  0  0
 23 21  1  0  0  0  0
 13  5  1  0  0  0  0
 12 15  2  0  0  0  0
 22 19  1  0  0  0  0
M  END
>  <Mol_ID> (5,959)
5959

>  <Formula> (5,959)
C18H18N2O2S

>  <MolWeight> (5,959)
326.41272

>  <COMPOUND_NAME> (5,959)
WAY-322243

>  <BAR_CODE_NO> (5,959)
297244

$$$$
WAY-322299
csChFnd80/06171916332D

 37 41  0  0  0  0  0  0  0  0999 V2000
    2.2167   -2.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5542   -1.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8542   -1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8500   -1.1542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5667   -1.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2167   -3.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042   -0.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167   -2.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -0.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5167   -2.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1875   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667   -1.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5375    0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5167   -3.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875   -3.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708   -2.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542   -1.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5667   -3.4167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9375   -3.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3500   -3.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2875   -3.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1500   -1.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208   -1.9542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000   -3.4542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8000   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5167    1.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7792    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875   -3.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1542   -3.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333   -1.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7875    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4500   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4167    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1000   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0792    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  6  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  2  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  6  1  0  0  0  0
 10  5  1  0  0  0  0
 11  4  1  0  0  0  0
 12  3  1  0  0  0  0
 13  9  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  1  0  0  0  0
 16  7  1  0  0  0  0
 17  8  1  0  0  0  0
 18 13  2  0  0  0  0
 19  8  2  0  0  0  0
 20  7  2  0  0  0  0
 21  9  2  0  0  0  0
 22 23  2  0  0  0  0
 23 21  1  0  0  0  0
 24 10  1  0  0  0  0
 25 18  1  0  0  0  0
 26 22  1  0  0  0  0
 27 24  1  0  0  0  0
 28 14  1  0  0  0  0
 29 14  1  0  0  0  0
 30 15  1  0  0  0  0
 31 15  1  0  0  0  0
 32 25  1  0  0  0  0
 33 27  2  0  0  0  0
 34 27  1  0  0  0  0
 35 33  1  0  0  0  0
 36 34  2  0  0  0  0
 37 36  1  0  0  0  0
  5  3  1  0  0  0  0
 11 15  1  0  0  0  0
 18 22  1  0  0  0  0
 14 12  1  0  0  0  0
 35 37  2  0  0  0  0
M  END
>  <Mol_ID> (5,960)
5960

>  <Formula> (5,960)
C32H37NO4

>  <MolWeight> (5,960)
499.64048

>  <COMPOUND_NAME> (5,960)
WAY-322299

>  <BAR_CODE_NO> (5,960)
297300

$$$$
WAY-322314
csChFnd80/06171916332D

 29 32  0  0  0  0  0  0  0  0999 V2000
    6.8500   -2.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1375   -3.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8500   -3.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1292   -2.1667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4167   -2.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4167   -3.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000   -1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042   -2.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042   -0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7042   -2.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7042   -3.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5667   -2.1667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8167   -1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167   -2.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8375   -2.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875   -2.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2667   -2.1667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208   -0.9375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875   -3.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5542   -2.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042   -0.1167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000   -2.6042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1292   -4.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5542   -3.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0458   -1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8167    0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333   -2.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8375   -5.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5500   -4.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  8  2  0  0  0  0
  8 14  1  0  0  0  0
  9 13  2  0  0  0  0
 10  5  2  0  0  0  0
 11  6  2  0  0  0  0
 12  1  2  0  0  0  0
 13 15  1  0  0  0  0
 14 15  2  0  0  0  0
 15 20  1  0  0  0  0
 16 10  1  0  0  0  0
 17 16  1  0  0  0  0
 18  7  1  0  0  0  0
 19 16  2  0  0  0  0
 20 17  1  0  0  0  0
 21  9  1  0  0  0  0
 22  8  1  0  0  0  0
 23  2  1  0  0  0  0
 24  3  1  0  0  0  0
 25 18  1  0  0  0  0
 26 21  1  0  0  0  0
 27 22  1  0  0  0  0
 28 29  1  0  0  0  0
 29 24  1  0  0  0  0
  2  6  1  0  0  0  0
 28 23  1  0  0  0  0
 19 11  1  0  0  0  0
  7  9  1  0  0  0  0
M  END
>  <Mol_ID> (5,961)
5961

>  <Formula> (5,961)
C23H24O6

>  <MolWeight> (5,961)
396.43306

>  <COMPOUND_NAME> (5,961)
WAY-322314

>  <BAR_CODE_NO> (5,961)
297315

$$$$
WAY-322326
csChFnd80/06171916332D

 27 30  0  0  0  0  0  0  0  0999 V2000
    5.1167   -3.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4042   -5.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1167   -4.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1500   -3.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042   -3.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4042   -3.5667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7000   -3.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708   -2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7000   -4.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708   -3.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9708   -3.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9792   -3.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9792   -5.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8500   -3.5667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292   -3.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3833   -2.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542   -3.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5500   -3.5667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667   -4.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3833   -3.8667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4042   -6.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8500   -5.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667   -2.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9708   -4.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1167   -6.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8500   -6.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  1  1  0  0  0  0
  4 10  2  0  0  0  0
  5 16  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8 11  1  0  0  0  0
  9  7  1  0  0  0  0
 10  5  1  0  0  0  0
 11  5  2  0  0  0  0
 12  4  1  0  0  0  0
 13  7  2  0  0  0  0
 14  9  2  0  0  0  0
 15  1  2  0  0  0  0
 16 19  1  0  0  0  0
 17 12  2  0  0  0  0
 18 13  1  0  0  0  0
 19 18  1  0  0  0  0
 20 18  2  0  0  0  0
 21 12  1  0  0  0  0
 22  2  1  0  0  0  0
 23  3  1  0  0  0  0
 24 11  1  0  0  0  0
 25 21  1  0  0  0  0
 26 27  1  0  0  0  0
 27 23  1  0  0  0  0
  9  2  1  0  0  0  0
 22 26  1  0  0  0  0
 14 20  1  0  0  0  0
  8  4  1  0  0  0  0
M  END
>  <Mol_ID> (5,962)
5962

>  <Formula> (5,962)
C21H20O6

>  <MolWeight> (5,962)
368.3799

>  <COMPOUND_NAME> (5,962)
WAY-322326

>  <BAR_CODE_NO> (5,962)
297327

$$$$
WAY-322343
csChFnd80/06171916332D

 21 24  0  0  0  0  0  0  0  0999 V2000
    0.2172   -0.7826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7310   -1.3274    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2172    0.3726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0552   -1.5308    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7310   -0.7826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5310   -2.4446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2172    0.9243    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7310    0.9243    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5862   -2.5757    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7310    0.3726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7310   -1.3274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0310   -2.9929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2172    2.0554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1724    0.3726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7310    0.9243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6931   -0.7826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1724    2.6243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1724    0.9243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6931    0.3726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1724    2.0554    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1345    2.6243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
 10 15  2  0  0  0  0
 11 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
  6  9  2  0  0  0  0
  8 10  1  0  0  0  0
 16 19  2  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (5,963)
5963

>  <Formula> (5,963)
C15H18N6

>  <MolWeight> (5,963)
282.34362

>  <COMPOUND_NAME> (5,963)
WAY-322343

>  <BAR_CODE_NO> (5,963)
297344

$$$$
WAY-322351
csChFnd80/06171916332D

 30 34  0  0  0  0  0  0  0  0999 V2000
    3.5667   -4.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3375   -4.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0375   -4.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4542   -3.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042    0.3208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2875   -5.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4375    1.6458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9875   -3.8542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4792   -5.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1000   -2.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6167    1.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8667   -3.0375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6167    0.7458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2167   -4.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875   -1.9042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667   -5.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9375   -5.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3375   -0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8542   -5.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2542   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1042   -0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042    0.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000    2.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2292   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6375   -6.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8292   -6.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792    0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292    1.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  6  1  0  0  0  0
  5  1  2  0  0  0  0
  6 20  1  0  0  0  0
  7  2  1  0  0  0  0
  8  4  1  0  0  0  0
  9  2  2  0  0  0  0
 10  3  1  0  0  0  0
 11  6  1  0  0  0  0
 12  5  1  0  0  0  0
 13 11  1  0  0  0  0
 14 12  2  0  0  0  0
 15  4  2  0  0  0  0
 16  3  1  0  0  0  0
 17 12  1  0  0  0  0
 18 16  1  0  0  0  0
 19 18  2  0  0  0  0
 20 23  1  0  0  0  0
 21  7  1  0  0  0  0
 22 10  1  0  0  0  0
 23 26  1  0  0  0  0
 24 11  2  0  0  0  0
 25 13  2  0  0  0  0
 26 17  1  0  0  0  0
 27 21  2  0  0  0  0
 28 22  2  0  0  0  0
 29 24  1  0  0  0  0
 30 29  2  0  0  0  0
  7 10  2  0  0  0  0
  9 14  1  0  0  0  0
 28 27  1  0  0  0  0
  8 13  1  0  0  0  0
 25 30  1  0  0  0  0
M  END
>  <Mol_ID> (5,964)
5964

>  <Formula> (5,964)
C22H20N6OS

>  <MolWeight> (5,964)
416.4988

>  <COMPOUND_NAME> (5,964)
WAY-322351

>  <BAR_CODE_NO> (5,964)
297352

$$$$
WAY-322356
csChFnd80/06171916332D

 30 33  0  0  0  0  0  0  0  0999 V2000
    0.3667   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3500   -1.4875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667   -2.7375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3500   -3.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0708   -2.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0625   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2292    0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3500   -3.9792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2292   -0.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5167    0.9625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792   -0.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8000   -1.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042   -0.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6542    0.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9500    0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3667    0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8000    1.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042   -1.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8000   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833   -3.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0792    0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3667    1.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0792    2.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8000    0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5042    2.2083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2292    1.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4958   -2.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4958   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8 10  1  0  0  0  0
  9  4  2  0  0  0  0
 10 14  1  0  0  0  0
 11  8  2  0  0  0  0
 12  7  1  0  0  0  0
 13  7  2  0  0  0  0
 14 19  2  0  0  0  0
 15 16  1  0  0  0  0
 16  8  1  0  0  0  0
 17 15  1  0  0  0  0
 18 24  1  0  0  0  0
 19 13  1  0  0  0  0
 20 12  2  0  0  0  0
 21  5  2  0  0  0  0
 22 17  2  0  0  0  0
 23 17  1  0  0  0  0
 24 23  2  0  0  0  0
 25 22  1  0  0  0  0
 26  6  2  0  0  0  0
 27 18  1  0  0  0  0
 28 27  1  0  0  0  0
 29 21  1  0  0  0  0
 30 26  1  0  0  0  0
  6  5  1  0  0  0  0
 14 20  1  0  0  0  0
 30 29  2  0  0  0  0
 25 18  2  0  0  0  0
M  END
>  <Mol_ID> (5,965)
5965

>  <Formula> (5,965)
C23H18N2O5

>  <MolWeight> (5,965)
402.39942

>  <COMPOUND_NAME> (5,965)
WAY-322356

>  <BAR_CODE_NO> (5,965)
297357

$$$$
WAY-322357
csChFnd80/06171916332D

 30 33  0  0  0  0  0  0  0  0999 V2000
    0.7292   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042   -0.1042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7292   -1.3667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7000   -1.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7000   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4500   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3000   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5875   -0.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1542   -0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0042   -1.3667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8667   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7292   -1.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3000    0.6833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4375   -1.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0167   -0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4208   -1.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4375   -0.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4208   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4500    0.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1542    1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8667    0.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7167   -2.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1500   -1.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1500   -0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1333   -1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1333   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4292   -3.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1500   -2.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  9  1  0  0  0  0
  9 13  1  0  0  0  0
 10  4  2  0  0  0  0
 11  7  2  0  0  0  0
 12 17  1  0  0  0  0
 13 11  1  0  0  0  0
 14 12  1  0  0  0  0
 15  8  2  0  0  0  0
 16 14  1  0  0  0  0
 17  8  1  0  0  0  0
 18  5  2  0  0  0  0
 19 16  1  0  0  0  0
 20  6  2  0  0  0  0
 21  7  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 14  2  0  0  0  0
 25 16  2  0  0  0  0
 26 19  1  0  0  0  0
 27 18  1  0  0  0  0
 28 20  1  0  0  0  0
 29 24  1  0  0  0  0
 30 29  2  0  0  0  0
  6  5  1  0  0  0  0
 13 23  2  0  0  0  0
 28 27  2  0  0  0  0
 25 30  1  0  0  0  0
M  END
>  <Mol_ID> (5,966)
5966

>  <Formula> (5,966)
C23H18N2O5

>  <MolWeight> (5,966)
402.39942

>  <COMPOUND_NAME> (5,966)
WAY-322357

>  <BAR_CODE_NO> (5,966)
297358

$$$$
WAY-322386
csChFnd80/06171916332D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -0.6208   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458   -1.7000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3125    0.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7125    0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8125   -1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4500   -1.8542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.5208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7708    1.8708    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.9542   -0.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8167   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5500   -0.7500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.8625    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0958   -1.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2292    0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0042    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1208    0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2708   -0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9792    1.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  5  1  0  0  0  0
  8  5  2  0  0  0  0
  9  3  1  0  0  0  0
 10 12  1  0  0  0  0
 11  7  1  0  0  0  0
 12 11  1  0  0  0  0
 13  4  1  0  0  0  0
 14  6  1  0  0  0  0
 15 10  1  0  0  0  0
 16 12  1  0  0  0  0
 17 13  2  0  0  0  0
 18 14  2  0  0  0  0
 19 16  1  0  0  0  0
  6  4  2  0  0  0  0
 17 18  1  0  0  0  0
 15 19  1  0  0  0  0
M  END
>  <Mol_ID> (5,967)
5967

>  <Formula> (5,967)
C14H14ClNO2S

>  <MolWeight> (5,967)
295.78446

>  <COMPOUND_NAME> (5,967)
WAY-322386

>  <BAR_CODE_NO> (5,967)
297387

$$$$
WAY-322390
csChFnd80/06171916332D

 33 38  0  0  0  0  0  0  0  0999 V2000
   -1.5500   -0.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500   -0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4708   -0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5708   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1500   -1.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9708   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0500   -0.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9708    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2333   -1.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0958   -0.8500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7333   -1.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333   -0.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3333   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542    0.1208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8958    0.5208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0833    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0500    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3000   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7792   -0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167    0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3125   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3125   -1.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3542    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2792    0.1833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6833    0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8958   -2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7000    1.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7958    1.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3000    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  6  1  0  0  0  0
  4  3  2  0  0  0  0
  5  2  2  0  0  0  0
  6  1  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  2  0  0  0  0
  9  3  1  0  0  0  0
 10  2  1  0  0  0  0
 11  4  1  0  0  0  0
 12  8  1  0  0  0  0
 13  8  1  0  0  0  0
 14  9  2  0  0  0  0
 15 20  1  0  0  0  0
 16  6  2  0  0  0  0
 17  9  1  0  0  0  0
 18 13  1  0  0  0  0
 19 13  1  0  0  0  0
 20 19  1  0  0  0  0
 21 18  1  0  0  0  0
 22 10  1  0  0  0  0
 23 12  1  0  0  0  0
 24 15  1  0  0  0  0
 25 28  1  0  0  0  0
 26 17  2  0  0  0  0
 27 17  1  0  0  0  0
 28 24  1  0  0  0  0
 29 22  2  0  0  0  0
 30 23  2  0  0  0  0
 31 27  2  0  0  0  0
 32 26  1  0  0  0  0
 33 31  1  0  0  0  0
  5  4  1  0  0  0  0
 12 10  2  0  0  0  0
 11 14  1  0  0  0  0
 21 15  1  0  0  0  0
 30 29  1  0  0  0  0
 33 32  2  0  0  0  0
M  END
>  <Mol_ID> (5,968)
5968

>  <Formula> (5,968)
C25H23N5O2S

>  <MolWeight> (5,968)
457.54742

>  <COMPOUND_NAME> (5,968)
WAY-322390

>  <BAR_CODE_NO> (5,968)
297391

$$$$
WAY-322393
csChFnd80/06171916332D

 30 35  0  0  0  0  0  0  0  0999 V2000
   -0.1625    0.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1625    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000    0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833   -0.1292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833    0.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2500    0.8458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6667    0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4625    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2500   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4625   -0.0167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6667    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458    0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1000    0.8458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833    1.3458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6125    1.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9292    1.3208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1000   -0.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5042    0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1000    1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5042    1.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9292    0.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2958    1.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0958    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   -0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4625    2.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9333    2.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  6  1  0  0  0  0
  4  3  2  0  0  0  0
  5  2  2  0  0  0  0
  6  1  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  2  0  0  0  0
  9  3  1  0  0  0  0
 10  2  1  0  0  0  0
 11  4  1  0  0  0  0
 12  8  1  0  0  0  0
 13  9  2  0  0  0  0
 14  8  1  0  0  0  0
 15  6  2  0  0  0  0
 16  9  1  0  0  0  0
 17 22  1  0  0  0  0
 18 10  1  0  0  0  0
 19 12  1  0  0  0  0
 20 14  1  0  0  0  0
 21 14  1  0  0  0  0
 22 21  1  0  0  0  0
 23 20  1  0  0  0  0
 24 16  2  0  0  0  0
 25 16  1  0  0  0  0
 26 19  2  0  0  0  0
 27 18  2  0  0  0  0
 28 25  2  0  0  0  0
 29 24  1  0  0  0  0
 30 28  1  0  0  0  0
  4  5  1  0  0  0  0
 12 10  2  0  0  0  0
 13 11  1  0  0  0  0
 26 27  1  0  0  0  0
 17 23  1  0  0  0  0
 29 30  2  0  0  0  0
M  END
>  <Mol_ID> (5,969)
5969

>  <Formula> (5,969)
C23H18N4O2S

>  <MolWeight> (5,969)
414.47962

>  <COMPOUND_NAME> (5,969)
WAY-322393

>  <BAR_CODE_NO> (5,969)
297394

$$$$
WAY-322406
csChFnd80/06171916332D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -1.8472   -0.0388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5576   -0.0388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2507   -1.2870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7093    0.9061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1907    0.9854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1645   -1.2560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2093   -2.0353    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5093   -1.5491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9748    0.6095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4493    0.8647    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3610   -0.5663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8045   -0.3629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2183    1.9474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9804   -0.8698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4976    1.9578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1148   -0.2526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3286    0.9854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  8 11  2  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
  6  7  1  0  0  0  0
  9 11  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (5,970)
5970

>  <Formula> (5,970)
C15H20N2

>  <MolWeight> (5,970)
228.3327

>  <COMPOUND_NAME> (5,970)
WAY-322406

>  <BAR_CODE_NO> (5,970)
297407

$$$$
WAY-322443
csChFnd80/06171916332D

 27 29  0  0  0  0  0  0  0  0999 V2000
    0.2500   -2.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2500   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458   -2.4500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458   -1.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458   -2.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458   -1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2500   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -2.4500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.3000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2500   -2.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2625   -2.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458   -0.7042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667   -1.5667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458   -3.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2625   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2500   -0.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2500   -0.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667   -0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667   -2.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    0.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2500    0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2500    0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667   -0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2500    1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7 10  2  0  0  0  0
  8  1  1  0  0  0  0
  9  2  1  0  0  0  0
 10  8  1  0  0  0  0
 11  7  1  0  0  0  0
 12  9  1  0  0  0  0
 13  5  2  0  0  0  0
 14  6  2  0  0  0  0
 15 11  2  0  0  0  0
 16  3  1  0  0  0  0
 17  4  1  0  0  0  0
 18 12  2  0  0  0  0
 19 12  1  0  0  0  0
 20 11  1  0  0  0  0
 21 10  1  0  0  0  0
 22 23  1  0  0  0  0
 23 19  2  0  0  0  0
 24 18  1  0  0  0  0
 25 22  1  0  0  0  0
 26 20  1  0  0  0  0
 27 25  1  0  0  0  0
  9  7  1  0  0  0  0
  6  4  1  0  0  0  0
 22 24  2  0  0  0  0
M  END
>  <Mol_ID> (5,971)
5971

>  <Formula> (5,971)
C19H21N3O5

>  <MolWeight> (5,971)
371.38714

>  <COMPOUND_NAME> (5,971)
WAY-322443

>  <BAR_CODE_NO> (5,971)
297444

$$$$
WAY-322444
csChFnd80/06171916332D

 31 33  0  0  0  0  0  0  0  0999 V2000
    0.2500   -1.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2500   -2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458   -2.4500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458   -1.5667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458   -2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458   -1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2500   -1.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.3000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.7500   -2.4500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2500   -2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667   -1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2500    0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2500    0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2500   -0.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2500   -0.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2625   -2.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458   -0.7042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667   -1.5667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458   -3.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2625   -1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.0208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667   -0.7042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667   -2.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667    0.4458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2625    0.4458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2500    1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2792   -0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667    0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2625    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  6  1  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  8  1  0  0  0  0
  8  1  1  0  0  0  0
  9  2  1  0  0  0  0
 10  7  2  0  0  0  0
 11  8  1  0  0  0  0
 12  7  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 11  1  0  0  0  0
 17 11  2  0  0  0  0
 18  5  2  0  0  0  0
 19  6  2  0  0  0  0
 20 12  2  0  0  0  0
 21  3  1  0  0  0  0
 22  4  1  0  0  0  0
 23 13  1  0  0  0  0
 24 12  1  0  0  0  0
 25 10  1  0  0  0  0
 26 14  1  0  0  0  0
 27 15  1  0  0  0  0
 28 23  1  0  0  0  0
 29 24  1  0  0  0  0
 30 26  1  0  0  0  0
 31 27  1  0  0  0  0
  9 10  1  0  0  0  0
  3  5  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (5,972)
5972

>  <Formula> (5,972)
C21H25N3O7

>  <MolWeight> (5,972)
431.4391

>  <COMPOUND_NAME> (5,972)
WAY-322444

>  <BAR_CODE_NO> (5,972)
297445

$$$$
WAY-322451
csChFnd80/06171916332D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -0.5938    0.3529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6455    0.9495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5938   -0.8471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5407    0.7185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6628    0.3529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6455    2.1460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5407   -1.2160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6455   -1.4436    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2476   -0.2471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9096    1.8667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6628   -0.8471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7007    0.9495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6628    2.7460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4441   -0.2471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7007   -1.4436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7007    2.1460    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8248    3.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5214    3.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0407   -1.2850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0407    0.7909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4441   -2.3229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2372   -1.2850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0407   -3.3574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8372   -2.3229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2372   -3.3574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  0  0  0  0
 14 19  1  0  0  0  0
 14 20  2  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  2  0  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
 13 16  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (5,973)
5973

>  <Formula> (5,973)
C20H20N2O3

>  <MolWeight> (5,973)
336.3844

>  <COMPOUND_NAME> (5,973)
WAY-322451

>  <BAR_CODE_NO> (5,973)
297452

$$$$
WAY-322475
csChFnd80/06171916332D

 20 22  0  0  0  0  0  0  0  0999 V2000
    7.8621    7.6747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8621    6.8301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6329    7.9207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1431    8.0711    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6329    6.5813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1431    6.4228    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1058    7.2592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9063    8.7080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4324    7.6665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8898    5.7858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4324    6.8383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9313    7.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3596    9.3285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7189    8.0711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1436    5.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7189    6.4228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6247   10.1076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    7.6747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.8301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0862   10.7281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  2  0  0  0  0
 10 15  3  0  0  0  0
 11 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
  5  7  2  0  0  0  0
  9 11  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (5,974)
5974

>  <Formula> (5,974)
C15H15N5

>  <MolWeight> (5,974)
265.3131

>  <COMPOUND_NAME> (5,974)
WAY-322475

>  <BAR_CODE_NO> (5,974)
297476

$$$$
WAY-322496
csChFnd80/06171916332D

 23 25  0  0  0  0  0  0  0  0999 V2000
    1.6667    0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042   -1.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000   -0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3375    0.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708   -0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4667    1.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292   -2.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3833   -0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5708    1.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0958   -4.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8292    1.8208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3500   -2.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3500   -5.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1458   -3.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3875   -0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083    1.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3000    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9500    3.2125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8000    2.5708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167    3.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3625    2.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792    5.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  7  1  0  0  0  0
 10  4  1  0  0  0  0
 11  9  1  0  0  0  0
 12  6  2  0  0  0  0
 13  9  2  0  0  0  0
 14 11  1  0  0  0  0
 15 13  1  0  0  0  0
 16  3  1  0  0  0  0
 17 10  2  0  0  0  0
 18 17  1  0  0  0  0
 19  6  1  0  0  0  0
 20 17  1  0  0  0  0
 21 19  1  0  0  0  0
 22 20  1  0  0  0  0
 23 21  1  0  0  0  0
  2  5  1  0  0  0  0
 18  8  2  0  0  0  0
 14 15  2  0  0  0  0
M  END
>  <Mol_ID> (5,975)
5975

>  <Formula> (5,975)
C18H19NO4

>  <MolWeight> (5,975)
313.34776

>  <COMPOUND_NAME> (5,975)
WAY-322496

>  <BAR_CODE_NO> (5,975)
297497

$$$$
WAY-322516
csChFnd80/06171916332D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -0.1826    1.0041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7691    0.4558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1826    2.1006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1378    0.4558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7691   -0.6580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7243    1.0041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7691    2.6489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1378    2.6489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1378   -0.6580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7243   -1.2063    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1826   -1.2063    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6657    1.5420    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7691    3.7627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1378    3.7627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0964   -1.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6829   -0.6580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7243   -2.3235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1826    4.3075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0964   -2.3097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0412   -0.6615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6450   -1.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6829   -2.8787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0412   -2.8684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0067   -1.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6450   -2.3235    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0067   -2.3235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  3  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 10 17  1  0  0  0  0
 13 18  1  0  0  0  0
 15 19  2  0  0  0  0
 15 20  1  0  0  0  0
 16 21  1  0  0  0  0
 17 22  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  2  0  0  0  0
 21 25  1  0  0  0  0
 23 26  2  0  0  0  0
  9 11  1  0  0  0  0
 14 18  2  0  0  0  0
 22 25  1  0  0  0  0
 24 26  1  0  0  0  0
M  END
>  <Mol_ID> (5,976)
5976

>  <Formula> (5,976)
C22H19N3O

>  <MolWeight> (5,976)
341.40576

>  <COMPOUND_NAME> (5,976)
WAY-322516

>  <BAR_CODE_NO> (5,976)
297517

$$$$
WAY-322533
csChFnd80/06171916332D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -2.2042   -1.5167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7375   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2125    0.0833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1250   -1.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5875   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1250    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0125    0.8625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4083    0.0958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5583    0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9250    0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8125   -0.7167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5875    0.8958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0375   -0.7375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5750   -2.3042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3542    0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3083    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7583    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3750    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6625    0.9000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.2750    1.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 15  1  0  0  0  0
 10  7  1  0  0  0  0
 11  2  1  0  0  0  0
 12  6  2  0  0  0  0
 13  9  2  0  0  0  0
 14  4  1  0  0  0  0
 15 11  1  0  0  0  0
 16  8  1  0  0  0  0
 17 20  1  0  0  0  0
 18 10  1  0  0  0  0
 19 17  1  0  0  0  0
 20 18  2  0  0  0  0
  3  6  1  0  0  0  0
 17 16  2  0  0  0  0
M  END
>  <Mol_ID> (5,977)
5977

>  <Formula> (5,977)
C11H10BrN5O2S

>  <MolWeight> (5,977)
356.1984

>  <COMPOUND_NAME> (5,977)
WAY-322533

>  <BAR_CODE_NO> (5,977)
297534

$$$$
WAY-322545
csChFnd80/06171916332D

 23 25  0  0  0  0  0  0  0  0999 V2000
    3.4167   -0.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8292   -1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5292   -1.6167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2792   -1.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6042   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500    0.1208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8167   -2.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4542   -2.7542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5667    0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6500   -1.4167    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.8167   -2.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1000   -1.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2542    0.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3875   -2.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042   -3.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3875   -2.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9042    0.9500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.3208   -3.2667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6000    1.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4167    1.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333   -2.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7167    1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  5  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  2  0  0  0  0
  9  5  2  0  0  0  0
 10  6  1  0  0  0  0
 11  2  1  0  0  0  0
 12  7  1  0  0  0  0
 13  7  2  0  0  0  0
 14  6  1  0  0  0  0
 15 17  2  0  0  0  0
 16 12  2  0  0  0  0
 17 13  1  0  0  0  0
 18 10  1  0  0  0  0
 19 15  1  0  0  0  0
 20 14  1  0  0  0  0
 21 20  1  0  0  0  0
 22 19  1  0  0  0  0
 23 18  1  0  0  0  0
  4  3  1  0  0  0  0
 21 18  1  0  0  0  0
 16 15  1  0  0  0  0
M  END
>  <Mol_ID> (5,978)
5978

>  <Formula> (5,978)
C17H19ClN2O3

>  <MolWeight> (5,978)
334.79736

>  <COMPOUND_NAME> (5,978)
WAY-322545

>  <BAR_CODE_NO> (5,978)
297546

$$$$
WAY-322547
csChFnd80/06171916332D

 21 24  0  0  0  0  0  0  0  0999 V2000
    5.0012   10.4652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    9.6378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7148    9.2249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7130   10.8779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4284   10.4688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4292    9.6420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1445    9.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8595    9.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8547   10.4757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1388   10.8830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7105   11.7029    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.1462    8.4060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4783    7.9176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8131    7.9204    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5599    7.1352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7350    7.1350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3245    6.4217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7378    5.7081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5658    5.7122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9726    6.4262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9822    5.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  6  2  0  0  0  0
  5  4  2  0  0  0  0
  4  1  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  4 11  1  0  0  0  0
  7 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 16  1  0  0  0  0
 15 14  1  0  0  0  0
 14 12  2  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <Mol_ID> (5,979)
5979

>  <Formula> (5,979)
C17H11ClN2O

>  <MolWeight> (5,979)
294.73504

>  <COMPOUND_NAME> (5,979)
WAY-322547

>  <BAR_CODE_NO> (5,979)
297548

$$$$
WAY-322551
csChFnd80/06171916332D

 27 30  0  0  0  0  0  0  0  0999 V2000
    4.4875    7.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7542    9.0792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7542    6.8667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8667    7.9667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6000    9.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792    7.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792    8.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0667    9.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6292    8.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8667   10.3542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6167   10.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1875    9.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5375   10.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1167    5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0167    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500    2.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.6542    2.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3042    0.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5667    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3042    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8667    3.9458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5000    5.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1875    6.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1875    9.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  8  1  0  0  0  0
 10  5  2  0  0  0  0
 11  8  2  0  0  0  0
 12  9  1  0  0  0  0
 13 11  1  0  0  0  0
 14  3  1  0  0  0  0
 15 19  1  0  0  0  0
 16 22  1  0  0  0  0
 17 15  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 16  2  0  0  0  0
 21 16  1  0  0  0  0
 22 23  1  0  0  0  0
 23 14  1  0  0  0  0
 24  6  1  0  0  0  0
 25  7  1  0  0  0  0
 26 24  2  0  0  0  0
 27 25  2  0  0  0  0
  6  7  2  0  0  0  0
 27 26  1  0  0  0  0
 13 12  2  0  0  0  0
 18 15  2  0  0  0  0
M  END
>  <Mol_ID> (5,980)
5980

>  <Formula> (5,980)
C20H16ClN3O3

>  <MolWeight> (5,980)
381.81234

>  <COMPOUND_NAME> (5,980)
WAY-322551

>  <BAR_CODE_NO> (5,980)
297552

$$$$
WAY-322552
csChFnd80/06171916332D

 28 31  0  0  0  0  0  0  0  0999 V2000
    4.1042    3.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3667    4.5167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3667    2.4708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5042    3.4583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6667    4.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292    2.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292    4.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9000    4.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6375    5.9167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.5000    5.7542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7167    3.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2042    5.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0292    4.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3667    0.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9042    1.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7042    1.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9667    2.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5667    2.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0042    1.2333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8500    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667    2.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1042    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667    4.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8500    2.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  8  1  0  0  0  0
 10  5  2  0  0  0  0
 11  8  2  0  0  0  0
 12  9  1  0  0  0  0
 13 11  1  0  0  0  0
 14  3  1  0  0  0  0
 15 21  1  0  0  0  0
 16 18  1  0  0  0  0
 17 15  2  0  0  0  0
 18 19  2  0  0  0  0
 19 15  1  0  0  0  0
 20 17  1  0  0  0  0
 21 22  1  0  0  0  0
 22 14  1  0  0  0  0
 23  6  1  0  0  0  0
 24 16  1  0  0  0  0
 25  7  1  0  0  0  0
 26 24  1  0  0  0  0
 27 23  2  0  0  0  0
 28 25  2  0  0  0  0
  6  7  2  0  0  0  0
 28 27  1  0  0  0  0
 13 12  2  0  0  0  0
 20 16  2  0  0  0  0
M  END
>  <Mol_ID> (5,981)
5981

>  <Formula> (5,981)
C21H19N3O3S

>  <MolWeight> (5,981)
393.45886

>  <COMPOUND_NAME> (5,981)
WAY-322552

>  <BAR_CODE_NO> (5,981)
297553

$$$$
WAY-322560
csChFnd80/06171916332D

 27 29  0  0  0  0  0  0  0  0999 V2000
    5.2167   -2.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2292   -3.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8167   -3.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4875   -3.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0542   -2.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0542   -3.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8292   -4.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8167   -1.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5667   -4.0167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.7500   -3.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875   -3.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3167   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7542   -4.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1000   -1.7875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0042   -4.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4167   -4.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0500   -5.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5792   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5542   -2.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2167   -1.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2542   -5.4167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3042   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7167   -2.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7500   -4.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4875   -3.3042    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8167   -0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8500   -6.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  2  0  0  0  0
  6  4  1  0  0  0  0
  7  2  1  0  0  0  0
  8  1  1  0  0  0  0
  9 10  1  0  0  0  0
 10 12  1  0  0  0  0
 11  3  1  0  0  0  0
 12  4  1  0  0  0  0
 13  9  1  0  0  0  0
 14  8  2  0  0  0  0
 15  7  2  0  0  0  0
 16 10  2  0  0  0  0
 17 16  1  0  0  0  0
 18 11  1  0  0  0  0
 19 11  2  0  0  0  0
 20  8  1  0  0  0  0
 21  7  1  0  0  0  0
 22 23  2  0  0  0  0
 23 19  1  0  0  0  0
 24 18  2  0  0  0  0
 25 22  1  0  0  0  0
 26 20  1  0  0  0  0
 27 21  1  0  0  0  0
  2  6  2  0  0  0  0
 22 24  1  0  0  0  0
 17 13  2  0  0  0  0
M  END
>  <Mol_ID> (5,982)
5982

>  <Formula> (5,982)
C20H18FNO4S

>  <MolWeight> (5,982)
387.4246232

>  <COMPOUND_NAME> (5,982)
WAY-322560

>  <BAR_CODE_NO> (5,982)
297561

$$$$
WAY-322576
csChFnd80/06171916332D

 32 36  0  0  0  0  0  0  0  0999 V2000
    3.6500   -2.3125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3667   -2.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9250   -3.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3625   -3.5667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9292   -2.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6375   -3.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0750   -2.3250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6542   -1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2125   -3.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0792   -1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2125   -2.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4917   -2.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4917   -3.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0792   -0.9042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6292   -4.7917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3125   -0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0667   -3.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6292   -0.9417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4875   -0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9250   -4.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5042   -4.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8917    0.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2125   -1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7792   -2.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6917    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7875   -3.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9250   -5.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5042   -5.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4917   -1.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7792   -1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2667    0.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2125   -5.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  5  2  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  2  2  0  0  0  0
  8  1  1  0  0  0  0
  9  3  1  0  0  0  0
 10  8  2  0  0  0  0
 11  5  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14  8  1  0  0  0  0
 15  6  2  0  0  0  0
 16 19  1  0  0  0  0
 17  4  1  0  0  0  0
 18 16  2  0  0  0  0
 19 14  1  0  0  0  0
 20  9  1  0  0  0  0
 21  9  1  0  0  0  0
 22 16  1  0  0  0  0
 23 11  1  0  0  0  0
 24 12  1  0  0  0  0
 25 22  1  0  0  0  0
 26 17  1  0  0  0  0
 27 20  1  0  0  0  0
 28 21  1  0  0  0  0
 29 23  2  0  0  0  0
 30 29  1  0  0  0  0
 31 25  1  0  0  0  0
 32 28  1  0  0  0  0
  7 10  1  0  0  0  0
  6  4  1  0  0  0  0
  9 13  1  0  0  0  0
 30 24  2  0  0  0  0
 27 32  1  0  0  0  0
M  END
>  <Mol_ID> (5,983)
5983

>  <Formula> (5,983)
C24H28N4O3S

>  <MolWeight> (5,983)
452.56912

>  <COMPOUND_NAME> (5,983)
WAY-322576

>  <BAR_CODE_NO> (5,983)
297577

$$$$
WAY-322584
csChFnd80/06171916332D

 28 31  0  0  0  0  0  0  0  0999 V2000
    1.1620    0.4976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5033    1.1838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0033    0.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9033   -0.4024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9413    1.9976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3967    0.9596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8620    1.8182    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8620    0.4389    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0033   -0.6404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5413   -1.0818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6794    0.0596    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9033   -0.5024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2794   -1.5404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2827   -1.9818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5967   -0.1611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7413   -0.9611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3827   -2.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2587    0.4976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8380   -1.0818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5413   -0.4404    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8033   -1.9162    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1587    0.2596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9967    1.4182    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7794   -1.3162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4173   -0.6611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8173    0.9389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6380    2.0838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5794    1.8389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  6 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 15 18  1  0  0  0  0
 15 19  2  0  0  0  0
 16 20  1  0  0  0  0
 16 21  2  0  0  0  0
 18 22  1  0  0  0  0
 18 23  2  0  0  0  0
 19 24  1  0  0  0  0
 22 25  1  0  0  0  0
 22 26  2  0  0  0  0
 23 27  1  0  0  0  0
 26 28  1  0  0  0  0
  5  7  1  0  0  0  0
 14 17  2  0  0  0  0
 24 25  2  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <Mol_ID> (5,984)
5984

>  <Formula> (5,984)
C20H16N4O3S

>  <MolWeight> (5,984)
392.43104

>  <COMPOUND_NAME> (5,984)
WAY-322584

>  <BAR_CODE_NO> (5,984)
297585

$$$$
WAY-322593
csChFnd80/06171916332D

 23 26  0  0  0  0  0  0  0  0999 V2000
    4.8681    6.9503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6521    6.2524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4341    6.9503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6521    4.8337    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3958    8.3423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6521    9.0479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0995    4.8337    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8681    8.3423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0995    6.2524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8681    4.1338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2084    6.2524    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6807   10.4475    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.3404    4.1338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3786    2.7342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5966    2.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2084    9.0479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.9503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7897    2.7629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6253    0.6749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.3423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0115    2.0975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8471    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0440    0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  5  6  1  0  0  0  0
  6  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8  1  1  0  0  0  0
  9  1  1  0  0  0  0
 10  7  1  0  0  0  0
 11  3  1  0  0  0  0
 12  6  1  0  0  0  0
 13  7  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16  5  1  0  0  0  0
 17 11  2  0  0  0  0
 18 15  1  0  0  0  0
 19 15  2  0  0  0  0
 20 16  2  0  0  0  0
 21 18  2  0  0  0  0
 22 19  1  0  0  0  0
 23 22  2  0  0  0  0
 10  4  1  0  0  0  0
  3  5  2  0  0  0  0
 17 20  1  0  0  0  0
 23 21  1  0  0  0  0
M  END
>  <Mol_ID> (5,985)
5985

>  <Formula> (5,985)
C19H17ClN2O

>  <MolWeight> (5,985)
324.80408

>  <COMPOUND_NAME> (5,985)
WAY-322593

>  <BAR_CODE_NO> (5,985)
297594

$$$$
WAY-322596
csChFnd80/06171916332D

 25 28  0  0  0  0  0  0  0  0999 V2000
    3.7550    2.5398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5307    1.4036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7550    0.2977    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1924    3.8704    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4344    2.1023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4344    0.6987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5656    4.1317    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2729    4.9358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0335    5.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4087    5.7601    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9119    4.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7550    6.2279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9322    1.4036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0309    5.7114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8355    7.2993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4744    6.9976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2132    2.8092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2132    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8766    7.0401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1120    6.5236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5529    8.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9226    8.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5656    7.8118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  2  0  0  0  0
  7  4  1  0  0  0  0
  8  4  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  2  0  0  0  0
 11  8  1  0  0  0  0
 12  8  2  0  0  0  0
 13  2  1  0  0  0  0
 14 11  2  0  0  0  0
 15 12  1  0  0  0  0
 16 15  2  0  0  0  0
 17  5  1  0  0  0  0
 18  6  1  0  0  0  0
 19 10  1  0  0  0  0
 20  9  1  0  0  0  0
 21 16  1  0  0  0  0
 22 17  2  0  0  0  0
 23 22  1  0  0  0  0
 24 25  1  0  0  0  0
 25 20  2  0  0  0  0
  3  6  1  0  0  0  0
 18 23  2  0  0  0  0
 16 14  1  0  0  0  0
 19 24  2  0  0  0  0
M  END
>  <Mol_ID> (5,986)
5986

>  <Formula> (5,986)
C22H21N3

>  <MolWeight> (5,986)
327.42224

>  <COMPOUND_NAME> (5,986)
WAY-322596

>  <BAR_CODE_NO> (5,986)
297597

$$$$
WAY-322683
csChFnd80/06171916332D

 24 26  0  0  0  0  0  0  0  0999 V2000
   11.5792   -3.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6500   -3.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2625   -2.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9750   -2.2417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1167   -1.6167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2750   -4.1125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.2375   -1.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2542   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9417   -4.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4542   -2.2792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0417   -0.8667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0167   -0.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5125   -5.8292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3292   -4.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9542   -4.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2250   -0.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -4.7542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8042    0.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6750   -2.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8042    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0125    0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4417   -1.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3917   -5.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6625   -2.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  2  0  0  0  0
  6  2  1  0  0  0  0
  7 12  1  0  0  0  0
  8  3  1  0  0  0  0
  9 14  1  0  0  0  0
 10  7  2  0  0  0  0
 11  8  1  0  0  0  0
 12 11  1  0  0  0  0
 13  9  2  0  0  0  0
 14  6  1  0  0  0  0
 15  1  1  0  0  0  0
 16  7  1  0  0  0  0
 17  9  1  0  0  0  0
 18 20  1  0  0  0  0
 19 10  1  0  0  0  0
 20 12  2  0  0  0  0
 21 18  2  0  0  0  0
 22 16  2  0  0  0  0
 23 15  1  0  0  0  0
 24 22  1  0  0  0  0
  4  5  1  0  0  0  0
 16 21  1  0  0  0  0
 19 24  2  0  0  0  0
M  END
>  <Mol_ID> (5,987)
5987

>  <Formula> (5,987)
C16H16N4O3S

>  <MolWeight> (5,987)
344.38824

>  <COMPOUND_NAME> (5,987)
WAY-322683

>  <BAR_CODE_NO> (5,987)
297684

$$$$
WAY-322687
csChFnd80/06171916332D

 26 28  0  0  0  0  0  0  0  0999 V2000
   11.6250    2.5208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4417    3.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6250    5.8667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1625    3.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8917    2.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4417    5.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1625    5.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3417    3.3583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7042    2.5208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.0667    3.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0667    5.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8125    2.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.8542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8125    0.8708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2542    3.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8917    5.8542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8917    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7042    5.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5417    2.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5417    5.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3417    5.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4417    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000    5.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000    3.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3 11  1  0  0  0  0
  4  1  2  0  0  0  0
  5  8  1  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8 12  1  0  0  0  0
  9  4  1  0  0  0  0
 10  1  1  0  0  0  0
 11 10  1  0  0  0  0
 12 15  1  0  0  0  0
 13  6  2  0  0  0  0
 14 12  2  0  0  0  0
 15  9  1  0  0  0  0
 16  6  1  0  0  0  0
 17  2  2  0  0  0  0
 18  5  2  0  0  0  0
 19  7  1  0  0  0  0
 20 10  2  0  0  0  0
 21 11  2  0  0  0  0
 22 16  1  0  0  0  0
 23 24  2  0  0  0  0
 24 18  1  0  0  0  0
 25 26  2  0  0  0  0
 26 20  1  0  0  0  0
  7  3  2  0  0  0  0
 21 25  1  0  0  0  0
 23 17  1  0  0  0  0
M  END
>  <Mol_ID> (5,988)
5988

>  <Formula> (5,988)
C19H17N3O3S

>  <MolWeight> (5,988)
367.42158

>  <COMPOUND_NAME> (5,988)
WAY-322687

>  <BAR_CODE_NO> (5,988)
297688

$$$$
WAY-322697
csChFnd80/06171916332D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.5292   -3.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0167   -2.8792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292   -2.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2583   -3.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2583   -2.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7417   -4.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917   -1.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5125    0.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3000    0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9250    1.5250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1500   -5.0542    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.5375   -4.1292    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0250   -4.7542    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.5917   -1.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375   -0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8542   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9750   -3.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3042    1.1625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9750   -2.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6875   -3.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6875   -2.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  9  1  0  0  0  0
  9 16  1  0  0  0  0
 10  8  2  0  0  0  0
 11  6  1  0  0  0  0
 12  6  1  0  0  0  0
 13  6  1  0  0  0  0
 14  7  2  0  0  0  0
 15  7  1  0  0  0  0
 16 15  2  0  0  0  0
 17 14  1  0  0  0  0
 18  4  1  0  0  0  0
 19  8  1  0  0  0  0
 20  5  1  0  0  0  0
 21 18  1  0  0  0  0
 22 21  1  0  0  0  0
  3  5  1  0  0  0  0
 22 20  1  0  0  0  0
 17  9  2  0  0  0  0
M  END
>  <Mol_ID> (5,989)
5989

>  <Formula> (5,989)
C15H13F3N2O2

>  <MolWeight> (5,989)
310.2711296

>  <COMPOUND_NAME> (5,989)
WAY-322697

>  <BAR_CODE_NO> (5,989)
297698

$$$$
WAY-322729
csChFnd80/06171916332D

 28 32  0  0  0  0  0  0  0  0999 V2000
    1.2167    0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167   -0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8542    0.5125    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.6292    0.3333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8542   -1.2625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458   -0.7625    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.9667   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417   -1.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8125   -1.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6292   -1.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458    0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7000    1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5333   -0.8292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417    1.1958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8875   -1.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0708   -1.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500   -2.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9417    1.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2792    1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3625    2.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1125    2.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7750    2.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    3.6083    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0875   -1.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1917   -0.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8750   -1.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7 12  1  0  0  0  0
  8  4  1  0  0  0  0
  9  2  1  0  0  0  0
 10  7  1  0  0  0  0
 11  6  1  0  0  0  0
 12  5  1  0  0  0  0
 13  3  1  0  0  0  0
 14 10  1  0  0  0  0
 15  5  2  0  0  0  0
 16 10  2  0  0  0  0
 17 14  1  0  0  0  0
 18 16  1  0  0  0  0
 19 13  1  0  0  0  0
 20 13  2  0  0  0  0
 21 22  2  0  0  0  0
 22 20  1  0  0  0  0
 23 19  2  0  0  0  0
 24 21  1  0  0  0  0
 25  8  1  0  0  0  0
 26 11  1  0  0  0  0
 27 25  2  0  0  0  0
 28 26  2  0  0  0  0
  9  7  1  0  0  0  0
  8 11  2  0  0  0  0
 21 23  1  0  0  0  0
 27 28  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (5,990)
5990

>  <Formula> (5,990)
C23H19ClN2O2

>  <MolWeight> (5,990)
390.86216

>  <COMPOUND_NAME> (5,990)
WAY-322729

>  <BAR_CODE_NO> (5,990)
297730

$$$$
WAY-322734
csChFnd80/06171916332D

 21 24  0  0  0  0  0  0  0  0999 V2000
   -1.0038   -0.2382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1038    0.3859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0038   -1.5141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0824    0.3859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1935   -0.2520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1038    1.6687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0824   -2.1520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1038   -2.1520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1824   -0.2520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1935   -1.5003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3176    0.3859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2349    2.3066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1824   -1.5003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2824    0.3825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3383    1.6480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3065   -2.1141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4962    1.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4065   -0.2003    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7272    1.8307    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.2824    0.7204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5651    0.5307    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  9 14  1  0  0  0  0
 11 15  2  0  0  0  0
 13 16  2  0  0  0  0
 14 17  2  0  0  0  0
 14 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 20 21  1  0  0  0  0
  8 10  1  0  0  0  0
  9 13  1  0  0  0  0
 12 15  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (5,991)
5991

>  <Formula> (5,991)
C16H10N2O2S

>  <MolWeight> (5,991)
294.3278

>  <COMPOUND_NAME> (5,991)
WAY-322734

>  <BAR_CODE_NO> (5,991)
297735

$$$$
WAY-322743
csChFnd80/06171916332D

 22 24  0  0  0  0  0  0  0  0999 V2000
    6.2875   -3.5292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6375   -3.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9792   -3.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4792   -3.2792    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.3667   -2.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9875   -3.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6375   -4.6542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1000   -2.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2167   -3.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3375   -3.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6875   -3.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -2.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7500   -2.4042    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7000   -2.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0500   -3.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -3.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0500   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5292   -4.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6542   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4000   -2.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2667   -4.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7042   -3.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  2  2  0  0  0  0
  8  5  1  0  0  0  0
  9  4  1  0  0  0  0
 10  6  1  0  0  0  0
 11 10  1  0  0  0  0
 12 16  1  0  0  0  0
 13 12  1  0  0  0  0
 14 11  2  0  0  0  0
 15 11  1  0  0  0  0
 16 15  2  0  0  0  0
 17 14  1  0  0  0  0
 18  9  2  0  0  0  0
 19  9  1  0  0  0  0
 20 19  2  0  0  0  0
 21 18  1  0  0  0  0
 22 20  1  0  0  0  0
  8  4  1  0  0  0  0
 22 21  2  0  0  0  0
 12 17  2  0  0  0  0
M  END
>  <Mol_ID> (5,992)
5992

>  <Formula> (5,992)
C18H18FNO2

>  <MolWeight> (5,992)
299.3394232

>  <COMPOUND_NAME> (5,992)
WAY-322743

>  <BAR_CODE_NO> (5,992)
297744

$$$$
WAY-322747
csChFnd80/06171916332D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -0.0137   -0.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6932   -0.5552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6861   -0.5069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0068    0.8655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5553   -0.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4035   -1.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5068   -0.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4447   -1.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7068    1.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7242    1.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1863   -0.9552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1654   -0.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7137    2.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7242    2.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9932   -0.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9553   -1.7966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9551   -0.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9861   -1.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0240    2.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6139   -1.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2242    0.1138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5760   -2.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6068   -1.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1240    0.3345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6068   -2.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0137    3.3931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3863   -2.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4447   -1.9345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7242    3.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7551    3.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  7 12  1  0  0  0  0
  9 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  2  0  0  0  0
 12 17  1  0  0  0  0
 12 18  2  0  0  0  0
 13 19  1  0  0  0  0
 15 20  2  0  0  0  0
 15 21  1  0  0  0  0
 16 22  1  0  0  0  0
 17 23  2  0  0  0  0
 17 24  1  0  0  0  0
 18 25  1  0  0  0  0
 19 26  1  0  0  0  0
 20 27  1  0  0  0  0
 23 28  1  0  0  0  0
 26 29  1  0  0  0  0
 26 30  1  0  0  0  0
  6  8  1  0  0  0  0
 14 19  2  0  0  0  0
 22 27  2  0  0  0  0
 25 28  2  0  0  0  0
M  END
>  <Mol_ID> (5,993)
5993

>  <Formula> (5,993)
C25H29N3O2

>  <MolWeight> (5,993)
403.51666

>  <COMPOUND_NAME> (5,993)
WAY-322747

>  <BAR_CODE_NO> (5,993)
297748

$$$$
WAY-322748
csChFnd80/06171916332D

 30 33  0  0  0  0  0  0  0  0999 V2000
    0.1032    0.4035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0239   -0.3068    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7761   -0.2275    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1032    1.5553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1653   -0.0068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6446   -1.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8657    0.1656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4761   -1.3344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8140    2.1139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0550    2.1449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9653   -0.8275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7243   -0.5965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8243    3.2346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0550    3.2553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1757    1.5553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6653   -1.9171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0446   -0.5275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4864   -1.6861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7657   -0.2551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0929    3.7725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0140    3.8346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860   -2.7171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5757   -2.2068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8446   -1.3344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3071   -2.4447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4243   -2.0171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6243   -1.0171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0347    3.2553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5343   -2.3965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3968   -2.1068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  7 12  1  0  0  0  0
  9 13  2  0  0  0  0
 10 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  2  0  0  0  0
 11 17  1  0  0  0  0
 12 18  2  0  0  0  0
 12 19  1  0  0  0  0
 13 20  1  0  0  0  0
 13 21  1  0  0  0  0
 16 22  1  0  0  0  0
 16 23  1  0  0  0  0
 17 24  2  0  0  0  0
 18 25  1  0  0  0  0
 18 26  1  0  0  0  0
 19 27  2  0  0  0  0
 21 28  1  0  0  0  0
 22 29  2  0  0  0  0
 25 30  2  0  0  0  0
  6  8  1  0  0  0  0
 14 20  2  0  0  0  0
 24 29  1  0  0  0  0
 27 30  1  0  0  0  0
M  END
>  <Mol_ID> (5,994)
5994

>  <Formula> (5,994)
C24H26N2O4

>  <MolWeight> (5,994)
406.47424

>  <COMPOUND_NAME> (5,994)
WAY-322748

>  <BAR_CODE_NO> (5,994)
297749

$$$$
WAY-322757
csChFnd80/06171916332D

 33 37  0  0  0  0  0  0  0  0999 V2000
    2.0792   -5.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0792   -5.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7875   -6.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667   -6.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5042   -5.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -5.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667   -4.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542   -5.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6500   -5.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000   -4.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2167   -4.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7792   -7.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2167   -6.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0500   -4.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2167   -3.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667   -3.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6500   -3.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0500   -6.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4000   -3.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9292   -5.0375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7292   -4.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9500   -4.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -5.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -5.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5292   -4.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9375   -3.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4875   -7.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4792   -8.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7667   -8.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875   -8.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875   -9.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7667   -9.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4667   -9.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  6  1  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8  9  1  0  0  0  0
  9  4  2  0  0  0  0
 10  2  1  0  0  0  0
 11  5  1  0  0  0  0
 12  3  1  0  0  0  0
 13  6  2  0  0  0  0
 14  8  1  0  0  0  0
 15 11  1  0  0  0  0
 16  7  2  0  0  0  0
 17 26  1  0  0  0  0
 18  9  1  0  0  0  0
 19 17  1  0  0  0  0
 20 11  2  0  0  0  0
 21 17  2  0  0  0  0
 22 19  1  0  0  0  0
 23 24  1  0  0  0  0
 24 18  2  0  0  0  0
 25 21  1  0  0  0  0
 26 15  1  0  0  0  0
 27 12  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
 30 28  1  0  0  0  0
 31 30  2  0  0  0  0
 32 29  1  0  0  0  0
 33 31  1  0  0  0  0
 10  5  2  0  0  0  0
  8  7  1  0  0  0  0
 14 23  2  0  0  0  0
 33 32  2  0  0  0  0
 22 25  2  0  0  0  0
M  END
>  <Mol_ID> (5,995)
5995

>  <Formula> (5,995)
C25H21N5O3

>  <MolWeight> (5,995)
439.46594

>  <COMPOUND_NAME> (5,995)
WAY-322757

>  <BAR_CODE_NO> (5,995)
297758

$$$$
WAY-322764
csChFnd80/06171916332D

 36 40  0  0  0  0  0  0  0  0999 V2000
    6.0875   -4.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0875   -3.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7875   -4.7542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3667   -4.7542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6542   -3.5167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5042   -3.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6542   -4.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3667   -3.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5042   -4.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8000   -3.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2167   -3.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9500   -4.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7875   -5.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9500   -3.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2167   -4.7667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3792   -2.2875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3667   -1.9167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2375   -3.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2375   -4.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9375   -3.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2292   -2.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8000   -1.1167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9500   -1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4875   -6.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6500   -2.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9500   -5.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3792   -1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0667   -2.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7875   -1.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1000   -0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7667   -7.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2000   -7.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2000   -8.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7667   -8.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4792   -8.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  4  2  0  0  0  0
  8  2  1  0  0  0  0
  9  3  1  0  0  0  0
 10  2  1  0  0  0  0
 11  6  1  0  0  0  0
 12  7  1  0  0  0  0
 13  3  1  0  0  0  0
 14  5  1  0  0  0  0
 15  9  2  0  0  0  0
 16  8  2  0  0  0  0
 17 26  1  0  0  0  0
 18 19  1  0  0  0  0
 19 12  2  0  0  0  0
 20 11  2  0  0  0  0
 21 11  1  0  0  0  0
 22 30  1  0  0  0  0
 23 13  1  0  0  0  0
 24 21  1  0  0  0  0
 25 23  1  0  0  0  0
 26 24  1  0  0  0  0
 27 12  1  0  0  0  0
 28 17  1  0  0  0  0
 29 17  1  0  0  0  0
 30 29  1  0  0  0  0
 31 28  1  0  0  0  0
 32 25  2  0  0  0  0
 33 25  1  0  0  0  0
 34 33  2  0  0  0  0
 35 32  1  0  0  0  0
 36 34  1  0  0  0  0
 10  6  2  0  0  0  0
  5  8  1  0  0  0  0
 14 18  2  0  0  0  0
 36 35  2  0  0  0  0
 22 31  1  0  0  0  0
M  END
>  <Mol_ID> (5,996)
5996

>  <Formula> (5,996)
C27H30N6O3

>  <MolWeight> (5,996)
486.5655

>  <COMPOUND_NAME> (5,996)
WAY-322764

>  <BAR_CODE_NO> (5,996)
297765

$$$$
WAY-322766
csChFnd80/06171916332D

 36 40  0  0  0  0  0  0  0  0999 V2000
    6.0875   -4.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0875   -3.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7875   -4.7542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3667   -4.7542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5042   -3.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6542   -3.5167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6542   -4.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3667   -3.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5042   -4.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8000   -3.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2167   -3.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2292   -2.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9500   -4.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7875   -5.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9500   -3.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2167   -4.7667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3792   -2.2875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2375   -3.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9500   -1.9000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.9375   -3.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2375   -4.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6500   -2.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4875   -6.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9500   -5.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9542   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3667   -1.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6375   -3.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7667   -7.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2000   -7.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3500   -3.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0667   -2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2000   -8.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7667   -8.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0667   -3.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4792   -8.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  7  4  2  0  0  0  0
  8  2  1  0  0  0  0
  9  3  1  0  0  0  0
 10  2  1  0  0  0  0
 11  5  1  0  0  0  0
 12 11  1  0  0  0  0
 13  7  1  0  0  0  0
 14  3  1  0  0  0  0
 15  6  1  0  0  0  0
 16  9  2  0  0  0  0
 17  8  2  0  0  0  0
 18 21  1  0  0  0  0
 19 12  1  0  0  0  0
 20 11  2  0  0  0  0
 21 13  2  0  0  0  0
 22 19  1  0  0  0  0
 23 14  1  0  0  0  0
 24 23  1  0  0  0  0
 25 13  1  0  0  0  0
 26 19  1  0  0  0  0
 27 22  1  0  0  0  0
 28 22  2  0  0  0  0
 29 24  2  0  0  0  0
 30 24  1  0  0  0  0
 31 28  1  0  0  0  0
 32 27  2  0  0  0  0
 33 30  2  0  0  0  0
 34 29  1  0  0  0  0
 35 31  2  0  0  0  0
 36 33  1  0  0  0  0
 10  5  2  0  0  0  0
  6  8  1  0  0  0  0
 15 18  2  0  0  0  0
 36 34  2  0  0  0  0
 35 32  1  0  0  0  0
M  END
>  <Mol_ID> (5,997)
5997

>  <Formula> (5,997)
C29H27N5O2

>  <MolWeight> (5,997)
477.55698

>  <COMPOUND_NAME> (5,997)
WAY-322766

>  <BAR_CODE_NO> (5,997)
297767

$$$$
WAY-322767
csChFnd80/06171916332D

 36 40  0  0  0  0  0  0  0  0999 V2000
    6.0875   -4.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0875   -3.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7875   -4.7542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3667   -4.7542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6542   -3.5167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5042   -3.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6542   -4.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3667   -3.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5042   -4.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8000   -3.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2167   -3.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9500   -4.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7875   -5.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9500   -3.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2167   -4.7667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3792   -2.2875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2375   -3.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2375   -4.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9375   -3.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2292   -2.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9500   -1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4875   -6.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3667   -1.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9500   -5.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6500   -2.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7667   -7.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2000   -7.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3792   -1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0667   -2.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7875   -1.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7667   -8.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2000   -8.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1000   -0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8000   -1.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4792   -8.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  4  2  0  0  0  0
  8  2  1  0  0  0  0
  9  3  1  0  0  0  0
 10  2  1  0  0  0  0
 11  6  1  0  0  0  0
 12  7  1  0  0  0  0
 13  3  1  0  0  0  0
 14  5  1  0  0  0  0
 15  9  2  0  0  0  0
 16  8  2  0  0  0  0
 17 18  1  0  0  0  0
 18 12  2  0  0  0  0
 19 11  2  0  0  0  0
 20 11  1  0  0  0  0
 21 13  1  0  0  0  0
 22 20  1  0  0  0  0
 23 21  1  0  0  0  0
 24 26  1  0  0  0  0
 25 12  1  0  0  0  0
 26 22  1  0  0  0  0
 27 23  2  0  0  0  0
 28 23  1  0  0  0  0
 29 24  2  0  0  0  0
 30 24  1  0  0  0  0
 31 30  2  0  0  0  0
 32 27  1  0  0  0  0
 33 28  2  0  0  0  0
 34 29  1  0  0  0  0
 35 31  1  0  0  0  0
 36 33  1  0  0  0  0
 10  6  2  0  0  0  0
  5  8  1  0  0  0  0
 14 17  2  0  0  0  0
 36 32  2  0  0  0  0
 35 34  2  0  0  0  0
M  END
>  <Mol_ID> (5,998)
5998

>  <Formula> (5,998)
C29H27N5O2

>  <MolWeight> (5,998)
477.55698

>  <COMPOUND_NAME> (5,998)
WAY-322767

>  <BAR_CODE_NO> (5,998)
297768

$$$$
WAY-322770
csChFnd80/06171916332D

 33 37  0  0  0  0  0  0  0  0999 V2000
    6.0875   -4.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0875   -3.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7875   -4.7542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3667   -4.7542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5042   -3.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6542   -3.5167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6542   -4.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3667   -3.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5042   -4.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8000   -3.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2167   -3.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9500   -4.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7875   -5.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2292   -2.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9500   -3.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2167   -4.7667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3792   -2.2875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2375   -3.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9375   -3.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2375   -4.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4875   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9500   -1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4875   -6.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9500   -5.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7667   -7.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1875   -7.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0375   -1.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7000   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1875   -8.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7667   -8.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2500   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8500   -0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4792   -8.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  7  4  2  0  0  0  0
  8  2  1  0  0  0  0
  9  3  1  0  0  0  0
 10  2  1  0  0  0  0
 11  5  1  0  0  0  0
 12  7  1  0  0  0  0
 13  3  1  0  0  0  0
 14 11  1  0  0  0  0
 15  6  1  0  0  0  0
 16  9  2  0  0  0  0
 17  8  2  0  0  0  0
 18 20  1  0  0  0  0
 19 11  2  0  0  0  0
 20 12  2  0  0  0  0
 21 13  1  0  0  0  0
 22 14  1  0  0  0  0
 23 21  1  0  0  0  0
 24 12  1  0  0  0  0
 25 23  2  0  0  0  0
 26 23  1  0  0  0  0
 27 22  1  0  0  0  0
 28 22  1  0  0  0  0
 29 26  2  0  0  0  0
 30 25  1  0  0  0  0
 31 28  1  0  0  0  0
 32 27  1  0  0  0  0
 33 29  1  0  0  0  0
 10  5  2  0  0  0  0
  6  8  1  0  0  0  0
 15 18  2  0  0  0  0
 33 30  2  0  0  0  0
 32 31  1  0  0  0  0
M  END
>  <Mol_ID> (5,999)
5999

>  <Formula> (5,999)
C26H27N5O2

>  <MolWeight> (5,999)
441.52488

>  <COMPOUND_NAME> (5,999)
WAY-322770

>  <BAR_CODE_NO> (5,999)
297771

$$$$
WAY-322776
csChFnd80/06171916332D

 28 31  0  0  0  0  0  0  0  0999 V2000
    6.0875   -4.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0875   -3.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7875   -4.7542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3667   -4.7542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6542   -3.5167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5042   -3.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6542   -4.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5042   -4.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3667   -3.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8000   -3.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2167   -3.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9500   -4.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7875   -5.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9500   -3.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2167   -4.7667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3792   -2.2875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2375   -3.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2375   -4.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9292   -3.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5667   -6.8042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2292   -2.3042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4875   -6.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.9500   -5.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3667   -6.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9500   -1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2375   -5.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6500   -2.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7875   -6.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  4  2  0  0  0  0
  8  3  1  0  0  0  0
  9  2  1  0  0  0  0
 10  2  1  0  0  0  0
 11  6  1  0  0  0  0
 12  7  1  0  0  0  0
 13  3  1  0  0  0  0
 14  5  1  0  0  0  0
 15  8  2  0  0  0  0
 16  9  2  0  0  0  0
 17 18  1  0  0  0  0
 18 12  2  0  0  0  0
 19 11  2  0  0  0  0
 20 22  1  0  0  0  0
 21 11  1  0  0  0  0
 22 13  1  0  0  0  0
 23 12  1  0  0  0  0
 24 20  1  0  0  0  0
 25 21  1  0  0  0  0
 26 22  1  0  0  0  0
 27 25  1  0  0  0  0
 28 26  1  0  0  0  0
  6 10  2  0  0  0  0
  5  9  1  0  0  0  0
 14 17  2  0  0  0  0
 28 24  1  0  0  0  0
M  END
>  <Mol_ID> (6,000)
6000

>  <Formula> (6,000)
C20H23N5O3

>  <MolWeight> (6,000)
381.42832

>  <COMPOUND_NAME> (6,000)
WAY-322776

>  <BAR_CODE_NO> (6,000)
297777

$$$$
WAY-322780
csChFnd80/06171916332D

 33 37  0  0  0  0  0  0  0  0999 V2000
    6.0875   -4.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0875   -3.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7875   -4.7542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3667   -4.7542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6542   -3.5167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5042   -3.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6542   -4.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5042   -4.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3667   -3.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8000   -3.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2167   -3.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9500   -4.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7875   -5.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9500   -3.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2167   -4.7667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2292   -2.3042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3792   -2.2875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2375   -3.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2375   -4.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9292   -3.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0667   -2.3167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5667   -6.8042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6500   -2.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9375   -1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4875   -6.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.3667   -1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9500   -5.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0667   -3.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3667   -6.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6500   -3.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2375   -5.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3542   -3.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7875   -6.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  4  2  0  0  0  0
  8  3  1  0  0  0  0
  9  2  1  0  0  0  0
 10  2  1  0  0  0  0
 11  6  1  0  0  0  0
 12  7  1  0  0  0  0
 13  3  1  0  0  0  0
 14  5  1  0  0  0  0
 15  8  2  0  0  0  0
 16 11  1  0  0  0  0
 17  9  2  0  0  0  0
 18 19  1  0  0  0  0
 19 12  2  0  0  0  0
 20 11  2  0  0  0  0
 21 26  2  0  0  0  0
 22 25  1  0  0  0  0
 23 24  1  0  0  0  0
 24 16  1  0  0  0  0
 25 13  1  0  0  0  0
 26 23  1  0  0  0  0
 27 12  1  0  0  0  0
 28 32  2  0  0  0  0
 29 22  1  0  0  0  0
 30 23  2  0  0  0  0
 31 25  1  0  0  0  0
 32 30  1  0  0  0  0
 33 31  1  0  0  0  0
 10  6  2  0  0  0  0
  5  9  1  0  0  0  0
 14 18  2  0  0  0  0
 33 29  1  0  0  0  0
 28 21  1  0  0  0  0
M  END
>  <Mol_ID> (6,001)
6001

>  <Formula> (6,001)
C24H24N6O3

>  <MolWeight> (6,001)
444.48576

>  <COMPOUND_NAME> (6,001)
WAY-322780

>  <BAR_CODE_NO> (6,001)
297781

$$$$
WAY-322785
csChFnd80/06171916332D

 32 36  0  0  0  0  0  0  0  0999 V2000
    2.0792   -5.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0792   -5.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7875   -6.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667   -6.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5042   -5.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -5.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667   -4.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542   -5.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6500   -5.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000   -4.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2167   -4.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7792   -7.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2167   -6.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0500   -4.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2167   -3.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667   -3.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0500   -6.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9292   -5.0375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875   -8.7167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -5.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -5.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4875   -7.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7292   -4.6167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9375   -3.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6500   -3.8042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.4792   -8.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000   -8.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5292   -4.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000   -7.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4000   -3.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000   -7.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9500   -4.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  6  1  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8  9  1  0  0  0  0
  9  4  2  0  0  0  0
 10  2  1  0  0  0  0
 11  5  1  0  0  0  0
 12  3  1  0  0  0  0
 13  6  2  0  0  0  0
 14  8  1  0  0  0  0
 15 11  1  0  0  0  0
 16  7  2  0  0  0  0
 17  9  1  0  0  0  0
 18 11  2  0  0  0  0
 19 26  1  0  0  0  0
 20 21  1  0  0  0  0
 21 17  2  0  0  0  0
 22 12  1  0  0  0  0
 23 25  1  0  0  0  0
 24 15  1  0  0  0  0
 25 24  1  0  0  0  0
 26 22  2  0  0  0  0
 27 31  1  0  0  0  0
 28 23  1  0  0  0  0
 29 22  1  0  0  0  0
 30 25  1  0  0  0  0
 31 29  2  0  0  0  0
 32 30  1  0  0  0  0
 10  5  2  0  0  0  0
  8  7  1  0  0  0  0
 14 20  2  0  0  0  0
 27 19  2  0  0  0  0
 32 28  1  0  0  0  0
M  END
>  <Mol_ID> (6,002)
6002

>  <Formula> (6,002)
C23H22N6O3

>  <MolWeight> (6,002)
430.45918

>  <COMPOUND_NAME> (6,002)
WAY-322785

>  <BAR_CODE_NO> (6,002)
297786

$$$$
WAY-322786
csChFnd80/06171916332D

 33 37  0  0  0  0  0  0  0  0999 V2000
    6.0875   -4.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0875   -3.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7875   -4.7542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3667   -4.7542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6542   -3.5167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5042   -3.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6542   -4.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5042   -4.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3667   -3.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8000   -3.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2167   -3.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9500   -4.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7875   -5.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9500   -3.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2167   -4.7667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2292   -2.3042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3792   -2.2875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2375   -3.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2375   -4.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9292   -3.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1875   -7.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4875   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7292   -3.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9500   -1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6500   -2.3167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.4792   -6.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9500   -5.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9000   -6.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5375   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2000   -5.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4042   -1.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9000   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9500   -2.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  4  2  0  0  0  0
  8  3  1  0  0  0  0
  9  2  1  0  0  0  0
 10  2  1  0  0  0  0
 11  6  1  0  0  0  0
 12  7  1  0  0  0  0
 13  3  1  0  0  0  0
 14  5  1  0  0  0  0
 15  8  2  0  0  0  0
 16 11  1  0  0  0  0
 17  9  2  0  0  0  0
 18 19  1  0  0  0  0
 19 12  2  0  0  0  0
 20 11  2  0  0  0  0
 21 26  1  0  0  0  0
 22 13  1  0  0  0  0
 23 25  1  0  0  0  0
 24 16  1  0  0  0  0
 25 24  1  0  0  0  0
 26 22  2  0  0  0  0
 27 12  1  0  0  0  0
 28 32  1  0  0  0  0
 29 23  1  0  0  0  0
 30 22  1  0  0  0  0
 31 25  1  0  0  0  0
 32 30  2  0  0  0  0
 33 31  1  0  0  0  0
 10  6  2  0  0  0  0
  5  9  1  0  0  0  0
 14 18  2  0  0  0  0
 28 21  2  0  0  0  0
 33 29  1  0  0  0  0
M  END
>  <Mol_ID> (6,003)
6003

>  <Formula> (6,003)
C24H24N6O3

>  <MolWeight> (6,003)
444.48576

>  <COMPOUND_NAME> (6,003)
WAY-322786

>  <BAR_CODE_NO> (6,003)
297787

$$$$
WAY-322811
csChFnd80/06171916332D

 32 36  0  0  0  0  0  0  0  0999 V2000
    6.0875   -4.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0875   -3.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3667   -4.7542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7875   -4.7542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5042   -3.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5042   -4.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6542   -3.5167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6542   -4.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3667   -3.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8000   -3.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2292   -3.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9500   -4.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2292   -2.3042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2167   -4.7667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9500   -3.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3792   -2.2875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7875   -5.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2375   -3.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9375   -3.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2375   -4.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9500   -1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9500   -5.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0667   -5.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000   -5.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9542   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6500   -2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4792   -6.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0667   -6.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3667   -1.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6792   -0.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3792   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7667   -7.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  6  1  0  0  0  0
  6  4  1  0  0  0  0
  7  8  1  0  0  0  0
  8  3  2  0  0  0  0
  9  2  1  0  0  0  0
 10  2  1  0  0  0  0
 11  5  1  0  0  0  0
 12  8  1  0  0  0  0
 13 11  1  0  0  0  0
 14  6  2  0  0  0  0
 15  7  1  0  0  0  0
 16  9  2  0  0  0  0
 17  4  1  0  0  0  0
 18 20  1  0  0  0  0
 19 11  2  0  0  0  0
 20 12  2  0  0  0  0
 21 13  1  0  0  0  0
 22 12  1  0  0  0  0
 23 17  1  0  0  0  0
 24 17  1  0  0  0  0
 25 21  1  0  0  0  0
 26 21  1  0  0  0  0
 27 24  1  0  0  0  0
 28 23  1  0  0  0  0
 29 26  1  0  0  0  0
 30 25  1  0  0  0  0
 31 29  1  0  0  0  0
 32 27  1  0  0  0  0
 10  5  2  0  0  0  0
  7  9  1  0  0  0  0
 32 28  1  0  0  0  0
 15 18  2  0  0  0  0
 31 30  1  0  0  0  0
M  END
>  <Mol_ID> (6,004)
6004

>  <Formula> (6,004)
C25H31N5O2

>  <MolWeight> (6,004)
433.54594

>  <COMPOUND_NAME> (6,004)
WAY-322811

>  <BAR_CODE_NO> (6,004)
297812

$$$$
WAY-322830
csChFnd80/06171916332D

 22 25  0  0  0  0  0  0  0  0999 V2000
    5.3375   -3.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6792   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0875   -4.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7042   -3.8042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1500   -3.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2542   -4.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0042   -3.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5042   -3.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5667   -4.8167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6667   -2.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4042   -2.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0542   -4.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7667   -2.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2042   -2.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2042   -3.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7042   -4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1167   -3.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8667   -4.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5667   -2.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8167   -5.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9042   -4.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6500   -3.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8  4  1  0  0  0  0
  9  3  2  0  0  0  0
 10  2  2  0  0  0  0
 11  5  1  0  0  0  0
 12  8  2  0  0  0  0
 13 14  1  0  0  0  0
 14 11  2  0  0  0  0
 15  7  1  0  0  0  0
 16  6  1  0  0  0  0
 17 19  1  0  0  0  0
 18 12  1  0  0  0  0
 19 13  2  0  0  0  0
 20 12  1  0  0  0  0
 21 16  2  0  0  0  0
 22 15  2  0  0  0  0
  7  6  2  0  0  0  0
  8 13  1  0  0  0  0
 21 22  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (6,005)
6005

>  <Formula> (6,005)
C19H13NO2

>  <MolWeight> (6,005)
287.31202

>  <COMPOUND_NAME> (6,005)
WAY-322830

>  <BAR_CODE_NO> (6,005)
297831

$$$$
WAY-322834-A
csChFnd80/06171916332D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.1375    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1375    2.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3125   -0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3125    3.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7625    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7625    2.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8292    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5792    3.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6792   -0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2208    3.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7625   -1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1375   -1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6792   -2.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6792    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4000   -0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1375   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7625   -2.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1375   -2.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4000    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2375    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3125   -3.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  2  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  7  2  0  0  0  0
 10  6  1  0  0  0  0
 11  3  1  0  0  0  0
 12  3  1  0  0  0  0
 13  9  1  0  0  0  0
 14  7  1  0  0  0  0
 15  9  1  0  0  0  0
 16 13  1  0  0  0  0
 17 11  1  0  0  0  0
 18 12  1  0  0  0  0
 19 14  2  0  0  0  0
 20 19  1  0  0  0  0
 21 18  1  0  0  0  0
  6  4  1  0  0  0  0
 20 15  2  0  0  0  0
 21 17  1  0  0  0  0
M  END
>  <Mol_ID> (6,006)
6006

>  <Formula> (6,006)
C15H21N5O

>  <MolWeight> (6,006)
287.36014

>  <COMPOUND_NAME> (6,006)
WAY-322834-A

>  <BAR_CODE_NO> (6,006)
297835

$$$$
WAY-322835
csChFnd80/06171916332D

 18 19  0  0  0  0  0  0  0  0999 V2000
    4.8167    1.1625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1167    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -1.1167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5167    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1167   -1.1167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8000   -1.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4375    1.1625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4542    2.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7542    3.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1792    1.1833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7542    4.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1000   -2.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3375   -2.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0792    5.7292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1375    4.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1542    3.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4375    5.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0792    7.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  4  2  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  4  1  0  0  0  0
 11  9  1  0  0  0  0
 12  6  1  0  0  0  0
 13  6  1  0  0  0  0
 14 11  1  0  0  0  0
 15 16  2  0  0  0  0
 16  8  1  0  0  0  0
 17 15  1  0  0  0  0
 18 14  1  0  0  0  0
  6  5  1  0  0  0  0
 17 11  2  0  0  0  0
M  END
>  <Mol_ID> (6,007)
6007

>  <Formula> (6,007)
C12H17N5O

>  <MolWeight> (6,007)
247.29628

>  <COMPOUND_NAME> (6,007)
WAY-322835

>  <BAR_CODE_NO> (6,007)
297836

$$$$
WAY-322837
csChFnd80/06171916332D

 17 18  0  0  0  0  0  0  0  0999 V2000
    4.7667    2.7958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0500    2.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4875    0.5708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4875    2.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0500    0.5708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7667   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3292    2.7958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3292    4.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0500    5.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1875    2.7958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0500    6.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7667    7.2500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.3292   -0.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0500   -0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6042    6.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6042    5.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3292    7.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  4  2  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  4  1  0  0  0  0
 11  9  2  0  0  0  0
 12 11  1  0  0  0  0
 13  6  1  0  0  0  0
 14  6  1  0  0  0  0
 15 16  1  0  0  0  0
 16  8  2  0  0  0  0
 17 15  2  0  0  0  0
  6  5  1  0  0  0  0
 11 17  1  0  0  0  0
M  END
>  <Mol_ID> (6,008)
6008

>  <Formula> (6,008)
C11H14BrN5

>  <MolWeight> (6,008)
296.16636

>  <COMPOUND_NAME> (6,008)
WAY-322837

>  <BAR_CODE_NO> (6,008)
297838

$$$$
WAY-322838
csChFnd80/06171916332D

 19 20  0  0  0  0  0  0  0  0999 V2000
    6.8875    0.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2292   -0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5500   -1.9167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5500   -0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2292   -1.9167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8875   -2.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5667    0.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875    0.4208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5875    1.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5875    5.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9292    2.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2500    2.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3875   -3.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2292   -3.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2500    4.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9292    4.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5667    6.5542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9042    7.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9042    8.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  4  2  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8  4  1  0  0  0  0
  9  7  1  0  0  0  0
 10 15  1  0  0  0  0
 11  9  2  0  0  0  0
 12  9  1  0  0  0  0
 13  6  1  0  0  0  0
 14  6  1  0  0  0  0
 15 12  2  0  0  0  0
 16 11  1  0  0  0  0
 17 10  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
  6  5  1  0  0  0  0
 10 16  2  0  0  0  0
M  END
>  <Mol_ID> (6,009)
6009

>  <Formula> (6,009)
C13H19N5O

>  <MolWeight> (6,009)
261.32286

>  <COMPOUND_NAME> (6,009)
WAY-322838

>  <BAR_CODE_NO> (6,009)
297839

$$$$
WAY-322840
csChFnd80/06171916332D

 20 22  0  0  0  0  0  0  0  0999 V2000
    3.1875    2.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4500    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0292    1.5625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5875    2.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4292    1.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1500    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0500    3.7708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1875    5.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4500    5.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8667    3.2458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9042   -0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8042    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5875    4.9167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667    5.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5875    7.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8667    5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7500   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0292   -1.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042    7.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4667    7.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  2  0  0  0  0
  5  6  1  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  4  1  0  0  0  0
 11  6  1  0  0  0  0
 12  6  1  0  0  0  0
 13  9  1  0  0  0  0
 14  8  1  0  0  0  0
 15  9  1  0  0  0  0
 16 13  1  0  0  0  0
 17 12  1  0  0  0  0
 18 11  1  0  0  0  0
 19 14  2  0  0  0  0
 20 19  1  0  0  0  0
  5  4  1  0  0  0  0
 18 17  1  0  0  0  0
 20 15  2  0  0  0  0
M  END
>  <Mol_ID> (6,010)
6010

>  <Formula> (6,010)
C14H19N5O

>  <MolWeight> (6,010)
273.33356

>  <COMPOUND_NAME> (6,010)
WAY-322840

>  <BAR_CODE_NO> (6,010)
297841

$$$$
WAY-322841
csChFnd80/06171916332D

 20 22  0  0  0  0  0  0  0  0999 V2000
    2.1542    8.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5792    7.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7375    5.8042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7375    7.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5792    5.8042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1542    4.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    8.2875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4167    7.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8375    8.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7000    8.2875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2542    7.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7000    8.2875    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.7375    4.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5792    4.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8375    5.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4167    5.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2542    5.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5792    2.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7375    2.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1542    1.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  4  2  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  4  1  0  0  0  0
 11  9  2  0  0  0  0
 12 11  1  0  0  0  0
 13  6  1  0  0  0  0
 14  6  1  0  0  0  0
 15 16  1  0  0  0  0
 16  8  2  0  0  0  0
 17 15  2  0  0  0  0
 18 14  1  0  0  0  0
 19 13  1  0  0  0  0
 20 18  1  0  0  0  0
  6  5  1  0  0  0  0
 20 19  1  0  0  0  0
 11 17  1  0  0  0  0
M  END
>  <Mol_ID> (6,011)
6011

>  <Formula> (6,011)
C14H18FN5

>  <MolWeight> (6,011)
275.3246232

>  <COMPOUND_NAME> (6,011)
WAY-322841

>  <BAR_CODE_NO> (6,011)
297842

$$$$
WAY-322844
csChFnd80/06171916332D

 20 22  0  0  0  0  0  0  0  0999 V2000
    4.9792    4.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2000    5.0792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9792    2.9833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4042    4.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4042    2.9833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1000    2.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6292    4.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4167    4.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042    4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4167    2.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6167    5.0792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042    1.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9000    1.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7500    1.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042    6.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7500    0.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  2  0  0  0  0
  5  6  1  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
 11  4  1  0  0  0  0
 12  9  1  0  0  0  0
 13 10  2  0  0  0  0
 14 13  1  0  0  0  0
 15  6  1  0  0  0  0
 16  6  1  0  0  0  0
 17  9  1  0  0  0  0
 18 13  1  0  0  0  0
 19 16  1  0  0  0  0
 20 15  1  0  0  0  0
  4  5  1  0  0  0  0
 19 20  1  0  0  0  0
 12 14  2  0  0  0  0
M  END
>  <Mol_ID> (6,012)
6012

>  <Formula> (6,012)
C15H21N5

>  <MolWeight> (6,012)
271.36074

>  <COMPOUND_NAME> (6,012)
WAY-322844

>  <BAR_CODE_NO> (6,012)
297845

$$$$
WAY-322849-A
csChFnd80/06171916332D

 13 14  0  0  0  0  0  0  0  0999 V2000
    1.2403   -0.5748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0011   -1.3437    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2610    0.8390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4713   -1.3092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2356   -0.5782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5196    1.5390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7161   -0.6196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2666    0.8459    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4632   -1.3161    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7472    0.8045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5252    1.5390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7149   -0.6230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7494    0.7977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
  7 10  2  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <Mol_ID> (6,013)
6013

>  <Formula> (6,013)
C10H12N2S

>  <MolWeight> (6,013)
192.28068

>  <COMPOUND_NAME> (6,013)
WAY-322849-A

>  <BAR_CODE_NO> (6,013)
297850

$$$$
WAY-322925
csChFnd80/06171916332D

 28 30  0  0  0  0  0  0  0  0999 V2000
   -1.0208    0.6000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.1208    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000    1.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958    1.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042    0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0500    2.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6000    1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1125   -1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8000    0.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5500    1.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208   -1.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1000    0.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7625    1.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000   -0.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8208    0.5125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2542    2.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8542    3.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7500    3.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8500   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0125   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7708    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7208    0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000   -2.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9833   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  2  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  9  1  0  0  0  0
  9 13  1  0  0  0  0
 10  2  1  0  0  0  0
 11  5  2  0  0  0  0
 12  7  1  0  0  0  0
 13 12  2  0  0  0  0
 14  6  2  0  0  0  0
 15  8  2  0  0  0  0
 16  1  1  0  0  0  0
 17  8  1  0  0  0  0
 18  6  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 12  1  0  0  0  0
 22 10  1  0  0  0  0
 23 10  2  0  0  0  0
 24 18  1  0  0  0  0
 25 24  1  0  0  0  0
 26 22  2  0  0  0  0
 27 23  1  0  0  0  0
 28 27  2  0  0  0  0
  3  5  1  0  0  0  0
 26 28  1  0  0  0  0
 19  9  2  0  0  0  0
M  END
>  <Mol_ID> (6,014)
6014

>  <Formula> (6,014)
C21H20N2O5

>  <MolWeight> (6,014)
380.3939

>  <COMPOUND_NAME> (6,014)
WAY-322925

>  <BAR_CODE_NO> (6,014)
297926

$$$$
WAY-322933
csChFnd80/06171916332D

 27 30  0  0  0  0  0  0  0  0999 V2000
    7.3849    5.4430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5831    4.1388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9537    4.1065    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.2963    6.2658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1520    5.4699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7806    5.4430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6257    3.0898    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    4.2412    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8644    4.2143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2694    3.4275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7921    5.7807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5668    3.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5560    5.4322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4758    6.6412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8113    4.7496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3609    7.6921    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4527    0.2964    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3281    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9680    5.4322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9680    3.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8501    6.6412    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.6667    4.2143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6883    1.7838    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8305    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9413    2.6964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7466    1.0455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  7  2  0  0  0  0
 11  5  1  0  0  0  0
 12  9  1  0  0  0  0
 13  9  2  0  0  0  0
 14  6  2  0  0  0  0
 15 11  2  0  0  0  0
 16  4  1  0  0  0  0
 17 25  2  0  0  0  0
 18 10  1  0  0  0  0
 19 13  1  0  0  0  0
 20 12  2  0  0  0  0
 21 13  1  0  0  0  0
 22 19  2  0  0  0  0
 23 20  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  1  0  0  0  0
 26 18  1  0  0  0  0
 27 18  2  0  0  0  0
  5  2  2  0  0  0  0
 15 10  1  0  0  0  0
 22 20  1  0  0  0  0
 17 24  1  0  0  0  0
M  END
>  <Mol_ID> (6,015)
6015

>  <Formula> (6,015)
C19H12F2N4OS

>  <MolWeight> (6,015)
382.3865864

>  <COMPOUND_NAME> (6,015)
WAY-322933

>  <BAR_CODE_NO> (6,015)
297934

$$$$
WAY-322935
csChFnd80/06171916332D

 28 31  0  0  0  0  0  0  0  0999 V2000
    7.3697    5.4243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5689    4.1231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9561    4.0883    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.2881    6.2277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1333    5.4499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7569    5.4243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6246    3.0690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4779    4.2256    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8779    4.2256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2557    3.3984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7773    5.7482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5587    5.4243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4779    6.6065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5807    3.0452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8091    4.7307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3540    7.6533    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4484    0.2891    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3315    2.3754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9862    3.0562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9697    5.4499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6944    4.2384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6669    6.6779    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.8999    1.7953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8227    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9443    2.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7451    1.0267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5807    0.6094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  7  2  0  0  0  0
 11  5  1  0  0  0  0
 12  9  1  0  0  0  0
 13  6  2  0  0  0  0
 14  9  2  0  0  0  0
 15 11  2  0  0  0  0
 16  4  1  0  0  0  0
 17 24  2  0  0  0  0
 18 10  1  0  0  0  0
 19 14  1  0  0  0  0
 20 12  2  0  0  0  0
 21 19  2  0  0  0  0
 22 20  1  0  0  0  0
 23 14  1  0  0  0  0
 24 27  1  0  0  0  0
 25 26  2  0  0  0  0
 26 18  1  0  0  0  0
 27 18  2  0  0  0  0
 28 23  1  0  0  0  0
  5  2  2  0  0  0  0
 15 10  1  0  0  0  0
 21 20  1  0  0  0  0
 17 25  1  0  0  0  0
M  END
>  <Mol_ID> (6,016)
6016

>  <Formula> (6,016)
C20H15ClN4O2S

>  <MolWeight> (6,016)
410.8767

>  <COMPOUND_NAME> (6,016)
WAY-322935

>  <BAR_CODE_NO> (6,016)
297936

$$$$
WAY-322936
csChFnd80/06171916332D

 27 30  0  0  0  0  0  0  0  0999 V2000
    7.3537    5.4074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5394    4.1093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9440    4.0718    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.2722    6.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1257    5.4271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7248    5.4074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6096    3.0613    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4261    4.2038    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2484    3.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7684    5.7325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9207    3.0022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5201    3.0022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8267    4.2038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4261    6.5993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6161    4.2038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8051    4.7101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3372    7.6275    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4472    0.2738    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3166    2.3639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9010    5.4074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6476    1.7788    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.5024    5.4074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0187    4.2038    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8300    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9456    2.6673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7460    1.0126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9  7  2  0  0  0  0
 10  5  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  8  1  0  0  0  0
 14  6  2  0  0  0  0
 15 20  1  0  0  0  0
 16 10  2  0  0  0  0
 17  4  1  0  0  0  0
 18 25  2  0  0  0  0
 19  9  1  0  0  0  0
 20 22  2  0  0  0  0
 21 11  1  0  0  0  0
 22 13  1  0  0  0  0
 23 15  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  1  0  0  0  0
 26 19  1  0  0  0  0
 27 19  2  0  0  0  0
  5  2  2  0  0  0  0
 16  9  1  0  0  0  0
 15 11  2  0  0  0  0
 18 24  1  0  0  0  0
M  END
>  <Mol_ID> (6,017)
6017

>  <Formula> (6,017)
C19H12ClFN4OS

>  <MolWeight> (6,017)
398.8411832

>  <COMPOUND_NAME> (6,017)
WAY-322936

>  <BAR_CODE_NO> (6,017)
297937

$$$$
WAY-322937
csChFnd80/06171916332D

 27 30  0  0  0  0  0  0  0  0999 V2000
    7.3867    5.4488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5617    4.1395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9556    4.1012    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.2989    6.2546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1427    5.4670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7645    5.4488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6230    3.0920    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4655    4.2543    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2612    3.4244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8614    4.2644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7769    5.7691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5725    3.0679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9886    3.0679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4655    6.6252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8140    4.7378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3513    7.6707    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4411    0.2901    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3266    2.3850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5866    5.4730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6836    4.2644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8534    1.8431    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.9886    5.4730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0835    4.2543    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8190    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9407    2.6932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7556    1.0374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9  7  2  0  0  0  0
 10  8  1  0  0  0  0
 11  5  1  0  0  0  0
 12 10  2  0  0  0  0
 13 12  1  0  0  0  0
 14  6  2  0  0  0  0
 15 11  2  0  0  0  0
 16  4  1  0  0  0  0
 17 25  2  0  0  0  0
 18  9  1  0  0  0  0
 19 10  1  0  0  0  0
 20 22  1  0  0  0  0
 21 12  1  0  0  0  0
 22 19  2  0  0  0  0
 23 20  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  1  0  0  0  0
 26 18  1  0  0  0  0
 27 18  2  0  0  0  0
  2  5  2  0  0  0  0
  9 15  1  0  0  0  0
 20 13  2  0  0  0  0
 17 24  1  0  0  0  0
M  END
>  <Mol_ID> (6,018)
6018

>  <Formula> (6,018)
C19H12ClFN4OS

>  <MolWeight> (6,018)
398.8411832

>  <COMPOUND_NAME> (6,018)
WAY-322937

>  <BAR_CODE_NO> (6,018)
297938

$$$$
WAY-322938
csChFnd80/06171916332D

 26 29  0  0  0  0  0  0  0  0999 V2000
    7.3695    5.4224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5703    4.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9420    4.0864    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.2971    6.2383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1375    5.4545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7590    5.4224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6244    3.0782    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4608    4.2272    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2634    3.4024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7818    5.7520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8610    4.2272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4608    6.6338    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8092    4.7331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3559    7.6545    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5664    3.0301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4489    0.2921    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3175    2.3763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8592    1.7956    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   11.5860    5.4331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8259    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9334    2.6756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7451    1.0261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9754    3.0301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9968    5.4224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6720    4.2272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9  7  2  0  0  0  0
 10  5  1  0  0  0  0
 11  8  1  0  0  0  0
 12  6  2  0  0  0  0
 13 10  2  0  0  0  0
 14  4  1  0  0  0  0
 15 11  2  0  0  0  0
 16 20  2  0  0  0  0
 17  9  1  0  0  0  0
 18 15  1  0  0  0  0
 19 11  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
 23 17  2  0  0  0  0
 24 15  1  0  0  0  0
 25 19  2  0  0  0  0
 26 25  1  0  0  0  0
  2  5  2  0  0  0  0
  9 13  1  0  0  0  0
 26 24  2  0  0  0  0
 16 21  1  0  0  0  0
M  END
>  <Mol_ID> (6,019)
6019

>  <Formula> (6,019)
C19H13BrN4OS

>  <MolWeight> (6,019)
425.30172

>  <COMPOUND_NAME> (6,019)
WAY-322938

>  <BAR_CODE_NO> (6,019)
297939

$$$$
WAY-322940
csChFnd80/06171916332D

 31 34  0  0  0  0  0  0  0  0999 V2000
    7.3756    5.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5522    4.1380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9521    4.1195    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.2902    6.2409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1391    5.4515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7590    5.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6190    3.0834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.5609    7.0117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3428    6.6993    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7716    8.1670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9401    5.7619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7571    6.8082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2664    3.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7803    5.7619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3717    8.0766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5629    5.6324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5237    4.3004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8121    4.7444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3539    7.6696    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4419    0.2858    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3187    2.3825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9731    7.1227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3965    9.4086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7233    4.6066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8233    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9353    2.6888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7443    1.0360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7769    5.9757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6318   10.5803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1356    4.7177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8 11  2  0  0  0  0
  9  6  1  0  0  0  0
 10 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12  9  1  0  0  0  0
 13  7  2  0  0  0  0
 14  5  1  0  0  0  0
 15 12  1  0  0  0  0
 16 12  2  0  0  0  0
 17  6  2  0  0  0  0
 18 14  2  0  0  0  0
 19  4  1  0  0  0  0
 20 26  2  0  0  0  0
 21 13  1  0  0  0  0
 22  8  1  0  0  0  0
 23 10  1  0  0  0  0
 24 11  1  0  0  0  0
 25 27  2  0  0  0  0
 26 28  1  0  0  0  0
 27 21  1  0  0  0  0
 28 21  2  0  0  0  0
 29 22  1  0  0  0  0
 30 23  1  0  0  0  0
 31 24  1  0  0  0  0
  2  5  2  0  0  0  0
 13 18  1  0  0  0  0
  8 10  1  0  0  0  0
 20 25  1  0  0  0  0
M  END
>  <Mol_ID> (6,020)
6020

>  <Formula> (6,020)
C22H20N4O4S

>  <MolWeight> (6,020)
436.4836

>  <COMPOUND_NAME> (6,020)
WAY-322940

>  <BAR_CODE_NO> (6,020)
297941

$$$$
WAY-322941
csChFnd80/06171916332D

 30 33  0  0  0  0  0  0  0  0999 V2000
    7.3906    7.1211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5575    5.8188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9676    5.8188    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.2957    7.9464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1407    7.1522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7614    7.1211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6139    4.7923    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2826    5.0764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4560    8.3445    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7617    7.4549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2997    4.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4954    5.9349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0985    8.5270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6698    8.4835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8119    6.4201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3227    9.3461    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7227    2.7186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8160    7.3305    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8765    8.3964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9896    7.2579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9419    9.6593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7523    1.6797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5401    9.6199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6230    7.2061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1442    0.3297    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9560    4.3610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7704    9.7443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3981    2.0053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5564    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  7  2  0  0  0  0
  9  6  1  0  0  0  0
 10  5  1  0  0  0  0
 11  8  1  0  0  0  0
 12  6  2  0  0  0  0
 13 14  1  0  0  0  0
 14 20  2  0  0  0  0
 15 10  2  0  0  0  0
 16  4  1  0  0  0  0
 17 11  2  0  0  0  0
 18 13  2  0  0  0  0
 19  9  1  0  0  0  0
 20 24  1  0  0  0  0
 21 23  2  0  0  0  0
 22 17  1  0  0  0  0
 23 19  1  0  0  0  0
 24 19  2  0  0  0  0
 25 22  1  0  0  0  0
 26 11  1  0  0  0  0
 27 26  2  0  0  0  0
 28 13  1  0  0  0  0
 29 27  1  0  0  0  0
 30 25  1  0  0  0  0
  5  2  2  0  0  0  0
 15  8  1  0  0  0  0
 14 21  1  0  0  0  0
 29 22  2  0  0  0  0
M  END
>  <Mol_ID> (6,021)
6021

>  <Formula> (6,021)
C23H19N3O3S

>  <MolWeight> (6,021)
417.48026

>  <COMPOUND_NAME> (6,021)
WAY-322941

>  <BAR_CODE_NO> (6,021)
297942

$$$$
WAY-322943
csChFnd80/06171916332D

 33 36  0  0  0  0  0  0  0  0999 V2000
    9.3033    7.1895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4782    5.8564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8713    5.8564    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.2083    7.9888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0624    7.1895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6941    7.1895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    4.8192    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4380    6.0020    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1911    5.1079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8449    6.0436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6647    7.4829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2254    4.0637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5033    7.2680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6482    2.7446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125    1.6911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9241    7.2957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3479    8.4185    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3264    2.0122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7406    6.4317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2083    9.4165    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8670    4.3802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5934    4.8515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9036    3.3429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6726    6.1499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0257    4.9139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7548    8.4809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1422    0.3396    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3653    0.9588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0657    6.1960    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5284    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5726    9.5805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7310    7.4066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9  7  2  0  0  0  0
 10  8  1  0  0  0  0
 11  5  1  0  0  0  0
 12  9  1  0  0  0  0
 13 10  1  0  0  0  0
 14 12  2  0  0  0  0
 15 14  1  0  0  0  0
 16 13  2  0  0  0  0
 17  6  2  0  0  0  0
 18 23  1  0  0  0  0
 19 11  2  0  0  0  0
 20  4  1  0  0  0  0
 21 12  1  0  0  0  0
 22 10  2  0  0  0  0
 23 21  2  0  0  0  0
 24 25  2  0  0  0  0
 25 22  1  0  0  0  0
 26 13  1  0  0  0  0
 27 15  1  0  0  0  0
 28 18  1  0  0  0  0
 29 24  1  0  0  0  0
 30 27  1  0  0  0  0
 31 26  1  0  0  0  0
 32 28  1  0  0  0  0
 33 29  1  0  0  0  0
  2  5  2  0  0  0  0
  9 19  1  0  0  0  0
 24 16  1  0  0  0  0
 18 15  2  0  0  0  0
M  END
>  <Mol_ID> (6,022)
6022

>  <Formula> (6,022)
C24H23N3O5S

>  <MolWeight> (6,022)
465.52152

>  <COMPOUND_NAME> (6,022)
WAY-322943

>  <BAR_CODE_NO> (6,022)
297944

$$$$
WAY-322947
csChFnd80/06171916332D

 26 29  0  0  0  0  0  0  0  0999 V2000
    7.0595    5.1251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2635    3.8005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6460    3.8005    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.9661    5.9451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8272    5.1514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4595    5.1251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3103    2.7632    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1376    3.9056    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5201    3.8933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9314    3.0786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0027    1.9957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4518    5.4423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2165    0.6395    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.2402    2.6913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2227    5.1023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1463    6.3183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4863    4.4085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6150    2.2112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9882    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0345    7.3609    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.9251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6279    5.1023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6279    2.6913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4990    6.3183    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.3165    3.8933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3516    1.4718    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  7  2  0  0  0  0
 11 10  1  0  0  0  0
 12  5  1  0  0  0  0
 13 11  1  0  0  0  0
 14  9  1  0  0  0  0
 15  9  2  0  0  0  0
 16  6  2  0  0  0  0
 17 12  2  0  0  0  0
 18 11  2  0  0  0  0
 19 13  1  0  0  0  0
 20  4  1  0  0  0  0
 21 18  1  0  0  0  0
 22 15  1  0  0  0  0
 23 14  2  0  0  0  0
 24 15  1  0  0  0  0
 25 22  2  0  0  0  0
 26 23  1  0  0  0  0
  5  2  2  0  0  0  0
 17 10  1  0  0  0  0
 25 23  1  0  0  0  0
 19 21  2  0  0  0  0
M  END
>  <Mol_ID> (6,023)
6023

>  <Formula> (6,023)
C18H11F2N3OS2

>  <MolWeight> (6,023)
387.4262464

>  <COMPOUND_NAME> (6,023)
WAY-322947

>  <BAR_CODE_NO> (6,023)
297948

$$$$
WAY-322948
csChFnd80/06171916332D

 26 29  0  0  0  0  0  0  0  0999 V2000
    7.0709    5.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2645    3.7968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6450    3.7968    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.9654    5.9557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8347    5.1580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4534    5.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3080    2.7745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1562    3.9130    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9197    3.0824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0078    2.0078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5619    3.9130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4425    5.4600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2453    2.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2227    0.6506    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.6646    2.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1562    6.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4957    4.4203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6138    2.2131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9855    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0312    7.3672    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.9216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2589    5.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3616    3.9130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5619    1.4792    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.6704    5.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7614    3.9130    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9  7  2  0  0  0  0
 10  9  1  0  0  0  0
 11  8  1  0  0  0  0
 12  5  1  0  0  0  0
 13 11  2  0  0  0  0
 14 10  1  0  0  0  0
 15 13  1  0  0  0  0
 16  6  2  0  0  0  0
 17 12  2  0  0  0  0
 18 10  2  0  0  0  0
 19 14  1  0  0  0  0
 20  4  1  0  0  0  0
 21 18  1  0  0  0  0
 22 11  1  0  0  0  0
 23 25  1  0  0  0  0
 24 13  1  0  0  0  0
 25 22  2  0  0  0  0
 26 23  1  0  0  0  0
  2  5  2  0  0  0  0
  9 17  1  0  0  0  0
 23 15  2  0  0  0  0
 19 21  2  0  0  0  0
M  END
>  <Mol_ID> (6,024)
6024

>  <Formula> (6,024)
C18H11F2N3OS2

>  <MolWeight> (6,024)
387.4262464

>  <COMPOUND_NAME> (6,024)
WAY-322948

>  <BAR_CODE_NO> (6,024)
297949

$$$$
WAY-322951
csChFnd80/06171916332D

 33 36  0  0  0  0  0  0  0  0999 V2000
    7.6369    7.3883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8188    6.0863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2093    6.0737    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.5435    8.2162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3869    7.4157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0168    7.3883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8665    5.0498    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.7949    8.9663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5856    8.6566    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0049   10.1144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1755    7.7254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0014    8.7493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5014    5.3680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0070    7.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6144   10.0133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8082    7.6032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5618    4.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7858    6.2528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0716    6.6678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3476    9.6425    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9958    2.9726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1966    4.6011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1959    9.0800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6432   11.3490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9761    6.5625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6910    2.2437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0246    1.9551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2613    3.5541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.0175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0048    7.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8637   12.5119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3665    6.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8785    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8 11  2  0  0  0  0
  9  6  1  0  0  0  0
 10 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12  9  1  0  0  0  0
 13  7  2  0  0  0  0
 14  5  1  0  0  0  0
 15 12  1  0  0  0  0
 16 12  2  0  0  0  0
 17 13  1  0  0  0  0
 18  6  2  0  0  0  0
 19 14  2  0  0  0  0
 20  4  1  0  0  0  0
 21 17  2  0  0  0  0
 22 17  1  0  0  0  0
 23  8  1  0  0  0  0
 24 10  1  0  0  0  0
 25 11  1  0  0  0  0
 26 28  1  0  0  0  0
 27 21  1  0  0  0  0
 28 22  2  0  0  0  0
 29 26  1  0  0  0  0
 30 23  1  0  0  0  0
 31 24  1  0  0  0  0
 32 25  1  0  0  0  0
 33 29  1  0  0  0  0
  5  2  2  0  0  0  0
 19 13  1  0  0  0  0
  8 10  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <Mol_ID> (6,025)
6025

>  <Formula> (6,025)
C24H23N3O5S

>  <MolWeight> (6,025)
465.52152

>  <COMPOUND_NAME> (6,025)
WAY-322951

>  <BAR_CODE_NO> (6,025)
297952

$$$$
WAY-322958
csChFnd80/06171916332D

 31 35  0  0  0  0  0  0  0  0999 V2000
    7.6311    7.3943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8281    6.0866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2049    6.0593    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.5493    8.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4000    7.4162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0280    7.3943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8610    5.0394    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7183    6.1704    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1261    6.1467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5077    5.3618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0159    7.7076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0325    1.9451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5680    4.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9996    2.9668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7617    4.9466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6939    2.2420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1928    0.5537    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8254    7.3415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.0181    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7183    8.5763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8815    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0816    6.6695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3617    9.6472    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2093    4.6023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2696    3.5533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2187    7.3306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1714    4.9229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1607    8.5654    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   13.9017    6.0703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8817    3.7008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1714    2.4605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  7  2  0  0  0  0
 11  5  1  0  0  0  0
 12 14  1  0  0  0  0
 13 10  1  0  0  0  0
 14 13  2  0  0  0  0
 15  9  1  0  0  0  0
 16 25  1  0  0  0  0
 17 12  1  0  0  0  0
 18  9  2  0  0  0  0
 19 16  1  0  0  0  0
 20  6  2  0  0  0  0
 21 17  1  0  0  0  0
 22 11  2  0  0  0  0
 23  4  1  0  0  0  0
 24 13  1  0  0  0  0
 25 24  2  0  0  0  0
 26 18  1  0  0  0  0
 27 15  2  0  0  0  0
 28 18  1  0  0  0  0
 29 26  2  0  0  0  0
 30 27  1  0  0  0  0
 31 30  1  0  0  0  0
  5  2  2  0  0  0  0
 22 10  1  0  0  0  0
 29 27  1  0  0  0  0
 16 12  2  0  0  0  0
 21 19  1  0  0  0  0
M  END
>  <Mol_ID> (6,026)
6026

>  <Formula> (6,026)
C22H16ClN3O4S

>  <MolWeight> (6,026)
453.89814

>  <COMPOUND_NAME> (6,026)
WAY-322958

>  <BAR_CODE_NO> (6,026)
297959

$$$$
WAY-322959
csChFnd80/06171916332D

 32 36  0  0  0  0  0  0  0  0999 V2000
    9.3160    7.1773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4765    5.8490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8561    5.8490    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.2132    7.9810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0724    7.1773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7046    7.1773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5522    4.8109    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2016    5.0967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4056    5.9740    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6749    7.4720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9150    7.1773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2305    4.0653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5018    7.1773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6591    2.7325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7215    1.6810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6115    5.9740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8593    8.2154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8053    5.9740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0001    6.2777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4056    8.4097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1340    7.6596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3307    2.0092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7484    6.4361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2132    9.4009    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8776    4.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9065    3.3420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9150    4.7775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5018    4.7775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1501    0.3282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3707    0.9577    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5209    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  7  2  0  0  0  0
  9  6  1  0  0  0  0
 10  5  1  0  0  0  0
 11 13  1  0  0  0  0
 12  8  1  0  0  0  0
 13 18  2  0  0  0  0
 14 12  2  0  0  0  0
 15 14  1  0  0  0  0
 16 27  1  0  0  0  0
 17 11  1  0  0  0  0
 18  9  1  0  0  0  0
 19 16  1  0  0  0  0
 20  6  2  0  0  0  0
 21 17  1  0  0  0  0
 22 26  1  0  0  0  0
 23 10  2  0  0  0  0
 24  4  1  0  0  0  0
 25 12  1  0  0  0  0
 26 25  2  0  0  0  0
 27 28  2  0  0  0  0
 28 18  1  0  0  0  0
 29 15  1  0  0  0  0
 30 22  1  0  0  0  0
 31 29  1  0  0  0  0
 32 30  1  0  0  0  0
  5  2  2  0  0  0  0
 23  8  1  0  0  0  0
 16 11  2  0  0  0  0
 21 19  1  0  0  0  0
 22 15  2  0  0  0  0
M  END
>  <Mol_ID> (6,027)
6027

>  <Formula> (6,027)
C23H19N3O5S

>  <MolWeight> (6,027)
449.47906

>  <COMPOUND_NAME> (6,027)
WAY-322959

>  <BAR_CODE_NO> (6,027)
297960

$$$$
WAY-322977
csChFnd80/06171916332D

 25 27  0  0  0  0  0  0  0  0999 V2000
    4.9667   -1.6875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1042   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3000   -0.9000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.7875   -2.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9667   -1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6042   -2.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2500   -1.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5542   -1.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0875   -2.5667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542   -3.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9667   -3.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9667   -3.0875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8000   -1.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667   -4.0292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3667   -2.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1542   -2.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4875   -3.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6167    0.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6000    0.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -2.8042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0042   -0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8542   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1875   -3.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0500   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333   -3.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9  4  1  0  0  0  0
 10 11  1  0  0  0  0
 11 17  1  0  0  0  0
 12  4  2  0  0  0  0
 13  5  2  0  0  0  0
 14 10  2  0  0  0  0
 15  9  1  0  0  0  0
 16 22  1  0  0  0  0
 17 23  2  0  0  0  0
 18  2  1  0  0  0  0
 19  2  1  0  0  0  0
 20 10  1  0  0  0  0
 21  3  1  0  0  0  0
 22 15  2  0  0  0  0
 23 15  1  0  0  0  0
 24 20  1  0  0  0  0
 25 24  1  0  0  0  0
  8  3  1  0  0  0  0
  3  5  1  0  0  0  0
 11 16  2  0  0  0  0
M  END
>  <Mol_ID> (6,028)
6028

>  <Formula> (6,028)
C20H25NO4

>  <MolWeight> (6,028)
343.4168

>  <COMPOUND_NAME> (6,028)
WAY-322977

>  <BAR_CODE_NO> (6,028)
297978

$$$$
WAY-322979
csChFnd80/06171916332D

 22 24  0  0  0  0  0  0  0  0999 V2000
    2.0667   -0.4875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3875   -0.7875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917   -1.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5667   -1.0500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.4542   -1.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2292    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3167   -0.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042   -2.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6667    0.7458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000   -1.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0542   -2.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7542   -1.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6167   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000   -3.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3667   -0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3500   -2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000   -3.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8042   -0.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9375    0.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7625   -3.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5542   -0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  2  0  0  0  0
  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8  5  1  0  0  0  0
  9  6  2  0  0  0  0
 10  8  1  0  0  0  0
 11  8  2  0  0  0  0
 12  7  1  0  0  0  0
 13  7  2  0  0  0  0
 14 11  1  0  0  0  0
 15 12  2  0  0  0  0
 16 13  1  0  0  0  0
 17 10  2  0  0  0  0
 18 14  2  0  0  0  0
 19 16  2  0  0  0  0
 20  6  1  0  0  0  0
 21 18  1  0  0  0  0
 22 19  1  0  0  0  0
  3  5  1  0  0  0  0
 19 15  1  0  0  0  0
 18 17  1  0  0  0  0
M  END
>  <Mol_ID> (6,029)
6029

>  <Formula> (6,029)
C18H18N2O2

>  <MolWeight> (6,029)
294.34772

>  <COMPOUND_NAME> (6,029)
WAY-322979

>  <BAR_CODE_NO> (6,029)
297980

$$$$
WAY-322983
csChFnd80/06171916332D

 24 28  0  0  0  0  0  0  0  0999 V2000
    0.3191    0.0804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5017   -0.0696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5774    0.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7726    1.3220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0358    1.4720    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0434    0.5512    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9691   -0.4196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4309    1.8095    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4066    0.8387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6358    0.0595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7726   -0.8613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8726    0.5720    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1142    1.3304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9566   -1.2405    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5809   -1.0113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1226   -0.3780    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.9691    1.4387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4358   -0.1280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2226   -1.4780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8517   -1.7988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4934   -2.2613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7691    1.2595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0191    0.4804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3142   -2.4196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5  3  2  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  4  2  0  0  0  0
  9  3  1  0  0  0  0
 10  7  1  0  0  0  0
 11  2  1  0  0  0  0
 12  6  1  0  0  0  0
 13 12  2  0  0  0  0
 14  7  2  0  0  0  0
 15 11  2  0  0  0  0
 16 15  1  0  0  0  0
 17  9  2  0  0  0  0
 18 10  2  0  0  0  0
 19 11  1  0  0  0  0
 20 15  1  0  0  0  0
 21 19  2  0  0  0  0
 22 17  1  0  0  0  0
 23 18  1  0  0  0  0
 24 21  1  0  0  0  0
 10  9  1  0  0  0  0
  6  4  1  0  0  0  0
 23 22  2  0  0  0  0
  8 13  1  0  0  0  0
 20 24  2  0  0  0  0
M  END
>  <Mol_ID> (6,030)
6030

>  <Formula> (6,030)
C18H9ClN4O

>  <MolWeight> (6,030)
332.74326

>  <COMPOUND_NAME> (6,030)
WAY-322983

>  <BAR_CODE_NO> (6,030)
297984

$$$$
WAY-322987
csChFnd80/06171916332D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -2.4833    0.4500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458    0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8208   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292   -2.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4833   -0.6875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8208   -0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167   -1.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708   -2.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4625   -1.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292   -2.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4625   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -2.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -1.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4833   -0.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542   -2.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0833    1.3708    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208    0.7125    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1625    1.6125    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0375   -2.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5500   -2.1542    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.0167   -3.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000   -3.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292   -3.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  9  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  7  1  0  0  0  0
  9 11  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12  5  1  0  0  0  0
 13  8  1  0  0  0  0
 14 11  2  0  0  0  0
 15 13  2  0  0  0  0
 16  3  2  0  0  0  0
 17 12  2  0  0  0  0
 18  4  1  0  0  0  0
 19  4  1  0  0  0  0
 20  4  1  0  0  0  0
 21 17  1  0  0  0  0
 22 21  1  0  0  0  0
 23 12  1  0  0  0  0
 24 23  2  0  0  0  0
 25 24  1  0  0  0  0
  8  6  2  0  0  0  0
  5 10  2  0  0  0  0
 21 25  2  0  0  0  0
M  END
>  <Mol_ID> (6,031)
6031

>  <Formula> (6,031)
C17H10ClF3N2O2

>  <MolWeight> (6,031)
366.7217096

>  <COMPOUND_NAME> (6,031)
WAY-322987

>  <BAR_CODE_NO> (6,031)
297988

$$$$
WAY-322988
csChFnd80/06171916332D

 28 30  0  0  0  0  0  0  0  0999 V2000
    6.3292   -1.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4292   -6.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7917   -2.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7167    1.4958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5792   -0.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4292   -3.8042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.7917   -5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6667   -0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6917   -3.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5167   -3.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9042    1.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7917   -8.5917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6917   -6.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4250   -0.8125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0750   -9.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8917   -1.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9750   -1.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4375    2.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6792   -7.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8167   -9.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4792  -10.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6167   -2.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5292   -0.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5250   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542    1.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9000    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -1.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6167    0.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  2  0  0  0  0
  6  9  1  0  0  0  0
  7  6  1  0  0  0  0
  8  1  1  0  0  0  0
  9  1  1  0  0  0  0
 10  3  1  0  0  0  0
 11  8  2  0  0  0  0
 12  2  1  0  0  0  0
 13  2  2  0  0  0  0
 14  3  2  0  0  0  0
 15 12  1  0  0  0  0
 16 10  1  0  0  0  0
 17  8  1  0  0  0  0
 18 11  1  0  0  0  0
 19 15  1  0  0  0  0
 20 15  1  0  0  0  0
 21 15  1  0  0  0  0
 22 16  1  0  0  0  0
 23 16  1  0  0  0  0
 24 17  2  0  0  0  0
 25 24  1  0  0  0  0
 26 23  1  0  0  0  0
 27 22  1  0  0  0  0
 28 26  1  0  0  0  0
 11  4  1  0  0  0  0
 18 25  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (6,032)
6032

>  <Formula> (6,032)
C22H31N3O3

>  <MolWeight> (6,032)
385.49984

>  <COMPOUND_NAME> (6,032)
WAY-322988

>  <BAR_CODE_NO> (6,032)
297989

$$$$
WAY-323010
csChFnd80/06171916332D

 22 25  0  0  0  0  0  0  0  0999 V2000
   -0.5961    0.2757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3754    0.0170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5961    1.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1246   -0.1381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6340   -0.7726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8581    0.6791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1246    1.5136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3754    1.3481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8384    0.2757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4374   -0.9450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0685   -1.3761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8384    1.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5522   -0.1381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6857   -1.7347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3202   -2.1623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5522    1.5136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2660    0.2757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5522   -0.9623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1340   -2.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2660    1.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9798   -0.1381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9867    1.5136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  7 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12 16  1  0  0  0  0
 13 17  2  0  0  0  0
 13 18  1  0  0  0  0
 14 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 20 22  2  0  0  0  0
  6  8  1  0  0  0  0
  9 12  1  0  0  0  0
 15 19  1  0  0  0  0
 17 20  1  0  0  0  0
M  END
>  <Mol_ID> (6,033)
6033

>  <Formula> (6,033)
C19H14O3

>  <MolWeight> (6,033)
290.31266

>  <COMPOUND_NAME> (6,033)
WAY-323010

>  <BAR_CODE_NO> (6,033)
298011

$$$$
WAY-323011
csChFnd80/06171916332D

 19 22  0  0  0  0  0  0  0  0999 V2000
    4.0375   -1.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7500   -0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3167   -1.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7500   -1.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8875   -1.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3167   -0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8875   -0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042   -1.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0292   -0.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6167   -0.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042   -0.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6042   -1.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6042   -0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4667   -0.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2042   -2.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3542   -1.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8500   -2.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958   -0.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0167   -2.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5 12  1  0  0  0  0
  6  3  1  0  0  0  0
  7  5  2  0  0  0  0
  8  5  1  0  0  0  0
  9  2  1  0  0  0  0
 10  8  2  0  0  0  0
 11  7  1  0  0  0  0
 12  3  2  0  0  0  0
 13  6  2  0  0  0  0
 14  2  2  0  0  0  0
 15  1  1  0  0  0  0
 16  4  1  0  0  0  0
 17  8  1  0  0  0  0
 18 10  1  0  0  0  0
 19 15  1  0  0  0  0
 19 16  1  0  0  0  0
  6  9  1  0  0  0  0
 13  7  1  0  0  0  0
 11 10  1  0  0  0  0
M  END
>  <Mol_ID> (6,034)
6034

>  <Formula> (6,034)
C16H14O3

>  <MolWeight> (6,034)
254.28056

>  <COMPOUND_NAME> (6,034)
WAY-323011

>  <BAR_CODE_NO> (6,034)
298012

$$$$
WAY-323018
csChFnd80/06171916332D

 22 25  0  0  0  0  0  0  0  0999 V2000
    3.3167   -1.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3167   -0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0292   -1.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8875   -0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6042   -0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9000   -1.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1000   -0.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0292   -0.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6042   -1.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7500   -0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7500   -1.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6167   -0.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0375   -2.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4667   -0.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6042    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542   -2.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7500   -3.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3167   -3.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3167   -3.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7500   -3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0375   -4.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  6  2  0  0  0  0
  5  2  2  0  0  0  0
  6  9  1  0  0  0  0
  7  4  1  0  0  0  0
  8  2  1  0  0  0  0
  9  1  2  0  0  0  0
 10 11  1  0  0  0  0
 11  3  2  0  0  0  0
 12  6  1  0  0  0  0
 13 12  2  0  0  0  0
 14  3  1  0  0  0  0
 15 10  2  0  0  0  0
 16  5  1  0  0  0  0
 17 12  1  0  0  0  0
 18 14  1  0  0  0  0
 19 14  2  0  0  0  0
 20 19  1  0  0  0  0
 21 18  2  0  0  0  0
 22 20  2  0  0  0  0
  5  4  1  0  0  0  0
  8 10  1  0  0  0  0
  7 13  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (6,035)
6035

>  <Formula> (6,035)
C19H14O3

>  <MolWeight> (6,035)
290.31266

>  <COMPOUND_NAME> (6,035)
WAY-323018

>  <BAR_CODE_NO> (6,035)
298019

$$$$
WAY-323020
csChFnd80/06171916332D

 24 27  0  0  0  0  0  0  0  0999 V2000
    4.1875   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4667   -1.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000   -1.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4667   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542   -1.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0500   -1.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875    0.1458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0500   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7542   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542   -0.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7542    0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667   -2.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6167    0.1458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875   -2.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000   -3.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6042   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042   -3.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208   -3.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042   -4.4375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6375   -5.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  3  1  0  0  0  0
  6  7  1  0  0  0  0
  7 11  1  0  0  0  0
  8  2  1  0  0  0  0
  9  6  2  0  0  0  0
 10  7  2  0  0  0  0
 11  3  2  0  0  0  0
 12 10  1  0  0  0  0
 13  5  2  0  0  0  0
 14  6  1  0  0  0  0
 15  2  2  0  0  0  0
 16 14  2  0  0  0  0
 17 14  1  0  0  0  0
 18  1  1  0  0  0  0
 19 21  1  0  0  0  0
 20  4  1  0  0  0  0
 21 17  2  0  0  0  0
 22 16  1  0  0  0  0
 23 19  1  0  0  0  0
 24 23  1  0  0  0  0
  5  8  1  0  0  0  0
 13 10  1  0  0  0  0
 12  9  1  0  0  0  0
 22 19  2  0  0  0  0
M  END
>  <Mol_ID> (6,036)
6036

>  <Formula> (6,036)
C20H16O4

>  <MolWeight> (6,036)
320.33864

>  <COMPOUND_NAME> (6,036)
WAY-323020

>  <BAR_CODE_NO> (6,036)
298021

$$$$
WAY-323022
csChFnd80/06171916332D

 24 27  0  0  0  0  0  0  0  0999 V2000
    3.0542   -4.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8500   -4.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2792   -3.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2792   -4.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000   -4.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5792   -3.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8500   -3.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000   -3.0667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7042   -3.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5667   -4.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0667   -3.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8042   -5.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7042   -4.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5667   -3.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -5.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7500   -6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3000   -6.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4292   -3.0667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3542   -5.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1042   -6.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9375   -6.4542    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.9875   -5.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0375   -7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2292   -7.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4 10  2  0  0  0  0
  5  4  1  0  0  0  0
  6  1  2  0  0  0  0
  7  2  2  0  0  0  0
  8  3  1  0  0  0  0
  9 13  1  0  0  0  0
 10  2  1  0  0  0  0
 11  6  1  0  0  0  0
 12  1  1  0  0  0  0
 13  5  2  0  0  0  0
 14  7  1  0  0  0  0
 15 12  2  0  0  0  0
 16 15  1  0  0  0  0
 17 20  1  0  0  0  0
 18  9  2  0  0  0  0
 19 12  1  0  0  0  0
 20 19  2  0  0  0  0
 21 16  1  0  0  0  0
 22  5  1  0  0  0  0
 23 17  1  0  0  0  0
 24 23  1  0  0  0  0
  7 11  1  0  0  0  0
 14  3  2  0  0  0  0
 16 17  2  0  0  0  0
  9  8  1  0  0  0  0
M  END
>  <Mol_ID> (6,037)
6037

>  <Formula> (6,037)
C19H13FO4

>  <MolWeight> (6,037)
324.3025232

>  <COMPOUND_NAME> (6,037)
WAY-323022

>  <BAR_CODE_NO> (6,037)
298023

$$$$
WAY-323026
csChFnd80/06171916332D

 20 23  0  0  0  0  0  0  0  0999 V2000
    1.9000   -1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7500   -0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8875   -0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3167   -0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3167   -1.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0292   -0.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042   -0.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1000   -0.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0292   -1.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7500   -1.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6042   -1.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6042   -0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4667   -0.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542   -2.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000   -0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0375   -2.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4542   -1.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7500   -3.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4667   -2.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 11  1  0  0  0  0
  3  1  2  0  0  0  0
  4  5  1  0  0  0  0
  5 12  2  0  0  0  0
  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8  6  2  0  0  0  0
  9  3  1  0  0  0  0
 10  5  1  0  0  0  0
 11 10  2  0  0  0  0
 12  1  1  0  0  0  0
 13  3  1  0  0  0  0
 14  2  2  0  0  0  0
 15  6  1  0  0  0  0
 16  8  1  0  0  0  0
 17 10  1  0  0  0  0
 18 11  1  0  0  0  0
 19 17  2  0  0  0  0
 20 19  1  0  0  0  0
 13  4  2  0  0  0  0
  9  8  1  0  0  0  0
  2  7  1  0  0  0  0
 18 20  2  0  0  0  0
M  END
>  <Mol_ID> (6,038)
6038

>  <Formula> (6,038)
C17H12O3

>  <MolWeight> (6,038)
264.27538

>  <COMPOUND_NAME> (6,038)
WAY-323026

>  <BAR_CODE_NO> (6,038)
298027

$$$$
WAY-323029
csChFnd80/06171916332D

 22 25  0  0  0  0  0  0  0  0999 V2000
    7.0500   -2.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875   -3.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875   -2.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6042   -2.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6042   -3.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4000   -4.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3292   -4.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0500   -3.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3292   -2.5667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9167   -3.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4000   -2.7167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000   -4.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000   -2.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3292   -5.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7542   -4.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7542   -2.5542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7542   -5.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0500   -5.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1500   -4.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000   -3.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4792   -5.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2000   -5.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3 13  1  0  0  0  0
  4  9  1  0  0  0  0
  5  4  1  0  0  0  0
  6  2  1  0  0  0  0
  7  8  2  0  0  0  0
  8  1  1  0  0  0  0
  9  1  1  0  0  0  0
 10 11  1  0  0  0  0
 11  3  1  0  0  0  0
 12  5  2  0  0  0  0
 13  4  2  0  0  0  0
 14  7  1  0  0  0  0
 15  8  1  0  0  0  0
 16  1  2  0  0  0  0
 17 15  2  0  0  0  0
 18 17  1  0  0  0  0
 19  6  1  0  0  0  0
 20 10  1  0  0  0  0
 21 17  1  0  0  0  0
 22 21  1  0  0  0  0
  5  7  1  0  0  0  0
 12  2  1  0  0  0  0
 14 18  2  0  0  0  0
 10  6  2  0  0  0  0
M  END
>  <Mol_ID> (6,039)
6039

>  <Formula> (6,039)
C18H14O4

>  <MolWeight> (6,039)
294.30136

>  <COMPOUND_NAME> (6,039)
WAY-323029

>  <BAR_CODE_NO> (6,039)
298030

$$$$
WAY-323039
csChFnd80/06171916332D

 18 20  0  0  0  0  0  0  0  0999 V2000
    2.5000    0.1458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792   -0.8375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792    0.3708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1375    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1375   -0.9792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5500   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1375    1.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1500    0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1500   -0.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333   -0.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333    0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8208   -0.2292    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.4792   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  2  1  0  0  0  0
  9  7  2  0  0  0  0
 10  5  1  0  0  0  0
 11  6  2  0  0  0  0
 12 10  2  0  0  0  0
 13 10  1  0  0  0  0
 14 15  1  0  0  0  0
 15 13  2  0  0  0  0
 16 12  1  0  0  0  0
 17 14  1  0  0  0  0
 18  9  1  0  0  0  0
  5  3  1  0  0  0  0
  8  9  1  0  0  0  0
 16 14  2  0  0  0  0
M  END
>  <Mol_ID> (6,040)
6040

>  <Formula> (6,040)
C12H9ClN4O

>  <MolWeight> (6,040)
260.67906

>  <COMPOUND_NAME> (6,040)
WAY-323039

>  <BAR_CODE_NO> (6,040)
298040

$$$$
WAY-323049
csChFnd80/06171916332D

 27 30  0  0  0  0  0  0  0  0999 V2000
    7.6000   -3.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6000   -2.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8792   -3.6292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4375   -3.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8792   -2.4042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6500   -3.0167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2500   -3.7667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2500   -2.2667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.9000   -2.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1792   -2.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9000   -3.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4000   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4292   -1.6292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2500   -1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9042   -1.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1167   -3.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8375   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3375   -3.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1292   -2.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0542   -2.8667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5875   -3.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5667   -1.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9375   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5542   -2.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5542   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9375   -0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2500    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9 11  2  0  0  0  0
 10  6  1  0  0  0  0
 11  7  1  0  0  0  0
 12 10  1  0  0  0  0
 13 10  2  0  0  0  0
 14  8  1  0  0  0  0
 15 12  2  0  0  0  0
 16 12  1  0  0  0  0
 17 18  1  0  0  0  0
 18 16  2  0  0  0  0
 19 15  1  0  0  0  0
 20 17  1  0  0  0  0
 21 11  1  0  0  0  0
 22 14  1  0  0  0  0
 23 14  2  0  0  0  0
 24 20  1  0  0  0  0
 25 22  2  0  0  0  0
 26 23  1  0  0  0  0
 27 26  2  0  0  0  0
  5  4  2  0  0  0  0
  8  9  1  0  0  0  0
 25 27  1  0  0  0  0
 19 17  2  0  0  0  0
M  END
>  <Mol_ID> (6,041)
6041

>  <Formula> (6,041)
C20H19N5O2

>  <MolWeight> (6,041)
361.39716

>  <COMPOUND_NAME> (6,041)
WAY-323049

>  <BAR_CODE_NO> (6,041)
298050

$$$$
WAY-323058
csChFnd80/06171916332D

 18 20  0  0  0  0  0  0  0  0999 V2000
   10.0000    0.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5042    1.1333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5042   -0.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7167    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7167    0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8167    0.4708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.2292   -0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0542   -0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7000   -0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4542   -0.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4542    0.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2875    0.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2875   -0.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0042    1.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0042   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5167   -0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3000    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3000    0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9 12  1  0  0  0  0
 10  8  2  0  0  0  0
 11  8  1  0  0  0  0
 12 11  2  0  0  0  0
 13 10  1  0  0  0  0
 14  4  2  0  0  0  0
 15  5  2  0  0  0  0
 16  9  1  0  0  0  0
 17 14  1  0  0  0  0
 18 15  1  0  0  0  0
  5  4  1  0  0  0  0
 18 17  2  0  0  0  0
  9 13  2  0  0  0  0
M  END
>  <Mol_ID> (6,042)
6042

>  <Formula> (6,042)
C15H13NOS

>  <MolWeight> (6,042)
255.33482

>  <COMPOUND_NAME> (6,042)
WAY-323058

>  <BAR_CODE_NO> (6,042)
298059

$$$$
WAY-323061
csChFnd80/06171916332D

 33 37  0  0  0  0  0  0  0  0999 V2000
    1.9292    0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6000    0.0458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1667    1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1292    0.2625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9792    1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2542    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6167    1.8125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5875    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8042    1.6458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9958    1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6000   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4625    1.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7708    1.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958    0.7208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3125    2.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6833    0.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7125    1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2875   -1.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4875    1.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0875    0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0625    2.9333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0333    0.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1000    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2875   -1.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875   -0.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2958    3.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3292    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6042    0.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8208    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3625    1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6875   -1.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875   -2.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7000   -1.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  2  0  0  0  0
  9  8  1  0  0  0  0
 10 12  1  0  0  0  0
 11  2  1  0  0  0  0
 12 17  1  0  0  0  0
 13 10  1  0  0  0  0
 14  8  1  0  0  0  0
 15 13  2  0  0  0  0
 16 12  2  0  0  0  0
 17 14  1  0  0  0  0
 18 11  1  0  0  0  0
 19  5  1  0  0  0  0
 20  6  1  0  0  0  0
 21 15  1  0  0  0  0
 22 13  1  0  0  0  0
 23 15  1  0  0  0  0
 24 18  2  0  0  0  0
 25 18  1  0  0  0  0
 26 21  1  0  0  0  0
 27 19  2  0  0  0  0
 28 20  2  0  0  0  0
 29 22  2  0  0  0  0
 30 29  1  0  0  0  0
 31 25  2  0  0  0  0
 32 24  1  0  0  0  0
 33 31  1  0  0  0  0
  6  5  2  0  0  0  0
  9  7  2  0  0  0  0
 28 27  1  0  0  0  0
 32 33  2  0  0  0  0
 30 23  2  0  0  0  0
M  END
>  <Mol_ID> (6,043)
6043

>  <Formula> (6,043)
C25H21N5O2S

>  <MolWeight> (6,043)
455.53154

>  <COMPOUND_NAME> (6,043)
WAY-323061

>  <BAR_CODE_NO> (6,043)
298062

$$$$
WAY-323062
csChFnd80/06171916332D

 30 34  0  0  0  0  0  0  0  0999 V2000
    1.9875    0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792    1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5292   -0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3333    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042    0.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7000    3.0458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1500    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9875    1.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2500    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8000    1.7708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5500    2.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5500    2.3958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5833    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8042    1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042    1.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708    1.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292    1.0333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5500    1.0333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708    1.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792   -1.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7875    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9667   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2083    3.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2708    1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5042    1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5875    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9125    2.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9583    2.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5042   -2.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4 12  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  2  0  0  0  0
  7  2  1  0  0  0  0
  8  2  1  0  0  0  0
  9  3  1  0  0  0  0
 10  4  1  0  0  0  0
 11  6  1  0  0  0  0
 12 16  1  0  0  0  0
 13 10  1  0  0  0  0
 14  5  2  0  0  0  0
 15 14  1  0  0  0  0
 16 19  1  0  0  0  0
 17 14  1  0  0  0  0
 18 16  2  0  0  0  0
 19 17  1  0  0  0  0
 20  3  1  0  0  0  0
 21  7  1  0  0  0  0
 22  9  1  0  0  0  0
 23 11  1  0  0  0  0
 24 13  1  0  0  0  0
 25 20  1  0  0  0  0
 26 21  2  0  0  0  0
 27 22  2  0  0  0  0
 28 23  1  0  0  0  0
 29 24  1  0  0  0  0
 30 25  1  0  0  0  0
  7  9  2  0  0  0  0
  8 15  2  0  0  0  0
 26 27  1  0  0  0  0
 11 13  2  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (6,044)
6044

>  <Formula> (6,044)
C21H22N6OS2

>  <MolWeight> (6,044)
438.56898

>  <COMPOUND_NAME> (6,044)
WAY-323062

>  <BAR_CODE_NO> (6,044)
298063

$$$$
WAY-323065
csChFnd80/06171916332D

 24 27  0  0  0  0  0  0  0  0999 V2000
    4.5417   -1.8167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9792   -1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5417   -0.6042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8250   -1.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8250   -0.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7292   -1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5375   -2.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1042   -0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1792   -2.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1792   -3.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8542   -0.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8250   -4.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1042   -1.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2292    0.0958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1750   -1.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8250   -4.8167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1750   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8542   -1.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4750   -2.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8292   -2.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2292   -1.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4750   -3.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5292   -1.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5292   -0.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  6  2  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11  8  1  0  0  0  0
 12 10  2  0  0  0  0
 13  6  1  0  0  0  0
 14 11  1  0  0  0  0
 15  4  1  0  0  0  0
 16 12  1  0  0  0  0
 17  5  1  0  0  0  0
 18 13  2  0  0  0  0
 19 20  1  0  0  0  0
 20  9  2  0  0  0  0
 21 18  1  0  0  0  0
 22 19  2  0  0  0  0
 23 15  2  0  0  0  0
 24 23  1  0  0  0  0
  3  5  1  0  0  0  0
 17 24  2  0  0  0  0
 12 22  1  0  0  0  0
 21 11  2  0  0  0  0
M  END
>  <Mol_ID> (6,045)
6045

>  <Formula> (6,045)
C20H16N2O2

>  <MolWeight> (6,045)
316.35324

>  <COMPOUND_NAME> (6,045)
WAY-323065

>  <BAR_CODE_NO> (6,045)
298066

$$$$
WAY-323078
csChFnd80/06171916332D

 34 38  0  0  0  0  0  0  0  0999 V2000
    0.8792    0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0167    0.7833    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2542   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5542    1.0833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8792   -0.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542    1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2792    0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167    0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3375    0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9375    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8792    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542    1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833    0.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1542    1.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4167    0.6333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5542    1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458    0.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0542   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833    2.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6208    1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0375   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6208    1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0167    2.0458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1625    0.7833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167   -0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000   -0.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6542   -0.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6000   -0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0167    2.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7000    1.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7167   -1.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8000   -1.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3167   -1.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  5  1  0  0  0  0
  8  4  1  0  0  0  0
  9 12  2  0  0  0  0
 10  9  1  0  0  0  0
 11  1  1  0  0  0  0
 12  7  1  0  0  0  0
 13  6  1  0  0  0  0
 14  6  2  0  0  0  0
 15 17  2  0  0  0  0
 16 10  2  0  0  0  0
 17  8  1  0  0  0  0
 18 11  2  0  0  0  0
 19 10  1  0  0  0  0
 20 13  2  0  0  0  0
 21 14  1  0  0  0  0
 22  3  1  0  0  0  0
 23 21  2  0  0  0  0
 24 13  1  0  0  0  0
 25 21  1  0  0  0  0
 26 11  1  0  0  0  0
 27 26  1  0  0  0  0
 28 19  2  0  0  0  0
 29 19  1  0  0  0  0
 30 24  1  0  0  0  0
 31 25  1  0  0  0  0
 32 29  2  0  0  0  0
 33 28  1  0  0  0  0
 34 32  1  0  0  0  0
 27 22  1  0  0  0  0
  7  8  2  0  0  0  0
 23 20  1  0  0  0  0
  9 15  1  0  0  0  0
 34 33  2  0  0  0  0
M  END
>  <Mol_ID> (6,046)
6046

>  <Formula> (6,046)
C28H26N2O4

>  <MolWeight> (6,046)
454.51704

>  <COMPOUND_NAME> (6,046)
WAY-323078

>  <BAR_CODE_NO> (6,046)
298079

$$$$
WAY-323080
csChFnd80/06171916332D

 29 31  0  0  0  0  0  0  0  0999 V2000
    1.9667   -1.9667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3667   -2.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1292   -1.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5292   -1.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3500   -1.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1500   -2.6500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.1958    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0125    0.0708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9500   -0.6042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9667   -3.3292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3042   -1.9875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5375   -3.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3625    0.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2125   -0.5667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5708    1.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0125    1.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3167   -3.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1667   -4.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333   -0.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1958    2.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958    2.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7042   -3.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5542   -4.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3500   -4.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  5  1  0  0  0  0
  4  3  1  0  0  0  0
  5  1  2  0  0  0  0
  6  2  1  0  0  0  0
  7  8  2  0  0  0  0
  8 10  1  0  0  0  0
  9  7  1  0  0  0  0
 10 11  1  0  0  0  0
 11 18  1  0  0  0  0
 12  5  1  0  0  0  0
 13  2  2  0  0  0  0
 14  4  2  0  0  0  0
 15  6  1  0  0  0  0
 16  9  2  0  0  0  0
 17 11  2  0  0  0  0
 18 12  1  0  0  0  0
 19  9  1  0  0  0  0
 20  7  1  0  0  0  0
 21  8  1  0  0  0  0
 22 15  1  0  0  0  0
 23 15  2  0  0  0  0
 24 19  1  0  0  0  0
 25 26  1  0  0  0  0
 26 21  2  0  0  0  0
 27 22  2  0  0  0  0
 28 23  1  0  0  0  0
 29 28  2  0  0  0  0
  4  6  1  0  0  0  0
 27 29  1  0  0  0  0
 25 20  2  0  0  0  0
M  END
>  <Mol_ID> (6,047)
6047

>  <Formula> (6,047)
C20H17N3O5S

>  <MolWeight> (6,047)
411.43108

>  <COMPOUND_NAME> (6,047)
WAY-323080

>  <BAR_CODE_NO> (6,047)
298081

$$$$
WAY-323091
csChFnd80/06171916332D

 29 32  0  0  0  0  0  0  0  0999 V2000
    0.2542   -0.0667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542    0.5625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833   -0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8500   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8500    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292   -0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292   -1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667   -1.3667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833   -1.0292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792   -1.3667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9167   -2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542    1.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8500    1.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9167   -2.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833    2.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8500    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4667   -3.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833    3.4208    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958   -0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292   -2.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292   -2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667   -3.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9458   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9458    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9  4  1  0  0  0  0
 10  8  1  0  0  0  0
 11  3  2  0  0  0  0
 12 10  1  0  0  0  0
 13  8  2  0  0  0  0
 14 12  1  0  0  0  0
 15  9  2  0  0  0  0
 16  9  1  0  0  0  0
 17 14  2  0  0  0  0
 18 19  1  0  0  0  0
 19 16  2  0  0  0  0
 20 15  1  0  0  0  0
 21 17  1  0  0  0  0
 22 18  1  0  0  0  0
 23  5  2  0  0  0  0
 24  6  2  0  0  0  0
 25 26  1  0  0  0  0
 26 12  2  0  0  0  0
 27 25  2  0  0  0  0
 28 23  1  0  0  0  0
 29 28  2  0  0  0  0
  4  6  1  0  0  0  0
 24 29  1  0  0  0  0
 20 18  2  0  0  0  0
 27 17  1  0  0  0  0
M  END
>  <Mol_ID> (6,048)
6048

>  <Formula> (6,048)
C22H15Cl2N3O2

>  <MolWeight> (6,048)
424.2794

>  <COMPOUND_NAME> (6,048)
WAY-323091

>  <BAR_CODE_NO> (6,048)
298092

$$$$
WAY-323092
csChFnd80/06171916332D

 29 32  0  0  0  0  0  0  0  0999 V2000
    0.2542   -0.0667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542    0.5625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833   -0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8500   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8500    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292   -0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292   -1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667   -1.3667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833   -1.0292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792   -1.3667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542    1.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8500    1.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833    2.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667   -3.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8500    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833    3.4208    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.3667   -3.8875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.9167   -2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292   -2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958   -0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292   -2.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9167   -2.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9458    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9458   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9  4  1  0  0  0  0
 10  8  1  0  0  0  0
 11  3  2  0  0  0  0
 12  8  2  0  0  0  0
 13  9  2  0  0  0  0
 14  9  1  0  0  0  0
 15 10  1  0  0  0  0
 16 19  1  0  0  0  0
 17 26  2  0  0  0  0
 18 13  1  0  0  0  0
 19 14  2  0  0  0  0
 20 16  1  0  0  0  0
 21 17  1  0  0  0  0
 22 15  1  0  0  0  0
 23 15  2  0  0  0  0
 24  5  2  0  0  0  0
 25  6  2  0  0  0  0
 26 23  1  0  0  0  0
 27 22  2  0  0  0  0
 28 29  2  0  0  0  0
 29 24  1  0  0  0  0
  6  4  1  0  0  0  0
 28 25  1  0  0  0  0
 16 18  2  0  0  0  0
 27 17  1  0  0  0  0
M  END
>  <Mol_ID> (6,049)
6049

>  <Formula> (6,049)
C22H15Cl2N3O2

>  <MolWeight> (6,049)
424.2794

>  <COMPOUND_NAME> (6,049)
WAY-323092

>  <BAR_CODE_NO> (6,049)
298093

$$$$
WAY-323093
csChFnd80/06171916332D

 29 32  0  0  0  0  0  0  0  0999 V2000
    0.2542   -0.0667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542    0.5625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833   -0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8500   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8500    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292   -0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292   -1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667   -1.3667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833   -1.0292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792   -1.3667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9167   -2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542    1.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8500    1.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9167   -2.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833    2.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8500    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4667   -3.2500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833    3.4208    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958   -0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292   -2.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292   -2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667   -3.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9458   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9458    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9  4  1  0  0  0  0
 10  8  1  0  0  0  0
 11  3  2  0  0  0  0
 12 10  1  0  0  0  0
 13  8  2  0  0  0  0
 14 12  1  0  0  0  0
 15  9  2  0  0  0  0
 16  9  1  0  0  0  0
 17 14  2  0  0  0  0
 18 20  1  0  0  0  0
 19 15  1  0  0  0  0
 20 16  2  0  0  0  0
 21 17  1  0  0  0  0
 22 18  1  0  0  0  0
 23  5  2  0  0  0  0
 24  6  2  0  0  0  0
 25 26  1  0  0  0  0
 26 12  2  0  0  0  0
 27 25  2  0  0  0  0
 28 23  1  0  0  0  0
 29 28  2  0  0  0  0
  4  6  1  0  0  0  0
 24 29  1  0  0  0  0
 19 18  2  0  0  0  0
 27 17  1  0  0  0  0
M  END
>  <Mol_ID> (6,050)
6050

>  <Formula> (6,050)
C22H15BrClN3O2

>  <MolWeight> (6,050)
468.7304

>  <COMPOUND_NAME> (6,050)
WAY-323093

>  <BAR_CODE_NO> (6,050)
298094

$$$$
WAY-323096
csChFnd80/06171916332D

 29 32  0  0  0  0  0  0  0  0999 V2000
    0.2542   -0.0667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542    0.5625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833   -0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8500   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8500    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292   -0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292   -1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667   -1.3667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833   -1.0292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792   -1.3667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542    1.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8500    1.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833    2.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667   -3.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8500    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833    3.4208    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.3667   -3.8875    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.9167   -2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292   -2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958   -0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9167   -2.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292   -2.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9458   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9458    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9  4  1  0  0  0  0
 10  8  1  0  0  0  0
 11  3  2  0  0  0  0
 12  8  2  0  0  0  0
 13  9  2  0  0  0  0
 14  9  1  0  0  0  0
 15 10  1  0  0  0  0
 16 18  1  0  0  0  0
 17 27  2  0  0  0  0
 18 14  2  0  0  0  0
 19 13  1  0  0  0  0
 20 16  1  0  0  0  0
 21 17  1  0  0  0  0
 22 15  1  0  0  0  0
 23 15  2  0  0  0  0
 24  5  2  0  0  0  0
 25  6  2  0  0  0  0
 26 22  2  0  0  0  0
 27 23  1  0  0  0  0
 28 24  1  0  0  0  0
 29 28  2  0  0  0  0
  6  4  1  0  0  0  0
 29 25  1  0  0  0  0
 16 19  2  0  0  0  0
 26 17  1  0  0  0  0
M  END
>  <Mol_ID> (6,051)
6051

>  <Formula> (6,051)
C22H15ClFN3O2

>  <MolWeight> (6,051)
407.8248032

>  <COMPOUND_NAME> (6,051)
WAY-323096

>  <BAR_CODE_NO> (6,051)
298097

$$$$
WAY-323105
csChFnd80/06171916332D

 23 25  0  0  0  0  0  0  0  0999 V2000
    0.2292    0.1625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292    0.7458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708   -0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7708    0.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7708    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2500   -1.0167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708   -0.7167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2500   -1.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2500   -1.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2500   -2.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2500   -3.3167    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.7500   -1.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708   -0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -2.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7500   -2.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7708    0.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7708    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  2  0  0  0  0
  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  3  2  0  0  0  0
 11  8  2  0  0  0  0
 12  9  1  0  0  0  0
 13 18  2  0  0  0  0
 14 13  1  0  0  0  0
 15 12  1  0  0  0  0
 16 12  2  0  0  0  0
 17  4  2  0  0  0  0
 18 16  1  0  0  0  0
 19 15  2  0  0  0  0
 20  5  1  0  0  0  0
 21  7  2  0  0  0  0
 22 17  1  0  0  0  0
 23 22  2  0  0  0  0
  7  5  1  0  0  0  0
 23 21  1  0  0  0  0
 19 13  1  0  0  0  0
M  END
>  <Mol_ID> (6,052)
6052

>  <Formula> (6,052)
C17H14FN3O2

>  <MolWeight> (6,052)
311.3103632

>  <COMPOUND_NAME> (6,052)
WAY-323105

>  <BAR_CODE_NO> (6,052)
298106

$$$$
WAY-323106
csChFnd80/06171916332D

 28 31  0  0  0  0  0  0  0  0999 V2000
    0.2292    0.1625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292    0.7458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708   -0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7708    0.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7708    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2500   -1.0167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708   -0.7167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2500   -1.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2500   -1.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2500   -2.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2500   -3.3167    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.7500   -1.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708   -0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -2.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7500   -2.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7708    1.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292    1.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7708    0.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7708    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7708    2.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292    2.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708    2.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  3  2  0  0  0  0
 11  4  1  0  0  0  0
 12  8  2  0  0  0  0
 13  9  1  0  0  0  0
 14 20  2  0  0  0  0
 15 14  1  0  0  0  0
 16 13  1  0  0  0  0
 17 13  2  0  0  0  0
 18  5  2  0  0  0  0
 19  6  2  0  0  0  0
 20 17  1  0  0  0  0
 21 16  2  0  0  0  0
 22 11  1  0  0  0  0
 23 11  2  0  0  0  0
 24 18  1  0  0  0  0
 25 24  2  0  0  0  0
 26 22  2  0  0  0  0
 27 23  1  0  0  0  0
 28 27  2  0  0  0  0
  4  6  1  0  0  0  0
 19 25  1  0  0  0  0
 14 21  1  0  0  0  0
 26 28  1  0  0  0  0
M  END
>  <Mol_ID> (6,053)
6053

>  <Formula> (6,053)
C22H16FN3O2

>  <MolWeight> (6,053)
373.3797432

>  <COMPOUND_NAME> (6,053)
WAY-323106

>  <BAR_CODE_NO> (6,053)
298107

$$$$
WAY-323116
csChFnd80/06171916332D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -0.0125    0.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5958   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0125   -0.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5958    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5958   -1.2792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5958    1.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0125   -1.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1375   -2.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0125   -2.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5500   -1.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1292   -1.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667   -2.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7500    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7167   -2.5667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7500   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708    1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0125    1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292   -3.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3208    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3208   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0125    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5958    2.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  2  1  0  0  0  0
  8  4  1  0  0  0  0
  9  7  1  0  0  0  0
 10 13  1  0  0  0  0
 11  9  2  0  0  0  0
 12  9  1  0  0  0  0
 13 12  2  0  0  0  0
 14 11  1  0  0  0  0
 15  5  2  0  0  0  0
 16 10  1  0  0  0  0
 17  6  2  0  0  0  0
 18  8  1  0  0  0  0
 19  8  2  0  0  0  0
 20 16  1  0  0  0  0
 21 15  1  0  0  0  0
 22 21  2  0  0  0  0
 23 19  1  0  0  0  0
 24 18  2  0  0  0  0
 25 23  2  0  0  0  0
  6  2  1  0  0  0  0
 24 25  1  0  0  0  0
 17 22  1  0  0  0  0
 14 10  2  0  0  0  0
M  END
>  <Mol_ID> (6,054)
6054

>  <Formula> (6,054)
C21H16N2O2

>  <MolWeight> (6,054)
328.36394

>  <COMPOUND_NAME> (6,054)
WAY-323116

>  <BAR_CODE_NO> (6,054)
298117

$$$$
WAY-323147
csChFnd80/06171916332D

 23 26  0  0  0  0  0  0  0  0999 V2000
    4.3000   -1.4875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8667   -1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5792   -1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8542   -2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5667   -2.7167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5875   -0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2875   -2.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0042   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0042   -0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4375   -2.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1542   -2.7167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4375   -1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1500   -1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4375   -1.0667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7167   -1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1500   -2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8542   -1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1542   -3.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5792   -2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5667   -1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8542   -2.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8500   -0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4292   -2.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5  7  2  0  0  0  0
  6  3  2  0  0  0  0
  7  1  1  0  0  0  0
  8  1  1  0  0  0  0
  9  8  2  0  0  0  0
 10 12  2  0  0  0  0
 11  4  1  0  0  0  0
 12  2  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15  8  1  0  0  0  0
 16 13  2  0  0  0  0
 17 13  1  0  0  0  0
 18 11  1  0  0  0  0
 19 20  1  0  0  0  0
 20 17  2  0  0  0  0
 21 16  1  0  0  0  0
 22 17  1  0  0  0  0
 23 16  1  0  0  0  0
  9  6  1  0  0  0  0
  2  4  2  0  0  0  0
 10 11  1  0  0  0  0
 21 19  2  0  0  0  0
M  END
>  <Mol_ID> (6,055)
6055

>  <Formula> (6,055)
C16H16N6O

>  <MolWeight> (6,055)
308.33784

>  <COMPOUND_NAME> (6,055)
WAY-323147

>  <BAR_CODE_NO> (6,055)
298148

$$$$
WAY-323155
csChFnd80/06171916332D

 24 28  0  0  0  0  0  0  0  0999 V2000
    4.3000   -1.4875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8542   -2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8667   -1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5792   -1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5667   -2.7167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1542   -2.7167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0042   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5875   -0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0042   -0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4375   -2.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2875   -2.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4375   -1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1542   -3.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7167   -1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4375   -3.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8667   -3.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7167   -2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4292   -1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8667   -4.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4292   -2.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1375   -1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4375   -4.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1500   -5.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1500   -2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5 11  2  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  4  2  0  0  0  0
  9  7  2  0  0  0  0
 10 12  2  0  0  0  0
 11  1  1  0  0  0  0
 12  3  1  0  0  0  0
 13  6  1  0  0  0  0
 14  7  1  0  0  0  0
 15 13  2  0  0  0  0
 16 13  1  0  0  0  0
 17 14  2  0  0  0  0
 18 14  1  0  0  0  0
 19 16  2  0  0  0  0
 20 17  1  0  0  0  0
 21 18  2  0  0  0  0
 22 15  1  0  0  0  0
 23 19  1  0  0  0  0
 24 21  1  0  0  0  0
  9  8  1  0  0  0  0
  3  2  2  0  0  0  0
 10  6  1  0  0  0  0
 20 24  2  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (6,056)
6056

>  <Formula> (6,056)
C18H12N6

>  <MolWeight> (6,056)
312.32808

>  <COMPOUND_NAME> (6,056)
WAY-323155

>  <BAR_CODE_NO> (6,056)
298156

$$$$
WAY-323179
csChFnd80/06171916332D

 21 24  0  0  0  0  0  0  0  0999 V2000
    5.4667   -3.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7542   -4.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4792   -3.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1875   -4.3375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7667   -5.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4792   -5.5667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9000   -3.9292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9000   -3.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3375   -5.1667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0542   -5.5792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1875   -5.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3375   -4.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4875   -2.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2792   -2.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2667   -1.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6500   -1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8500   -1.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8542   -2.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0542   -6.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2375   -0.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0292   -0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  2  2  0  0  0  0
  6 11  2  0  0  0  0
  7  4  1  0  0  0  0
  8  3  1  0  0  0  0
  9 12  2  0  0  0  0
 10  5  1  0  0  0  0
 11  4  1  0  0  0  0
 12  2  1  0  0  0  0
 13  8  1  0  0  0  0
 14 13  2  0  0  0  0
 15 13  1  0  0  0  0
 16 17  1  0  0  0  0
 17 15  2  0  0  0  0
 18 14  1  0  0  0  0
 19 10  1  0  0  0  0
 20 16  1  0  0  0  0
 21 20  1  0  0  0  0
  7  8  2  0  0  0  0
  5  6  1  0  0  0  0
  9 10  1  0  0  0  0
 18 16  2  0  0  0  0
M  END
>  <Mol_ID> (6,057)
6057

>  <Formula> (6,057)
C14H12N6O

>  <MolWeight> (6,057)
280.28468

>  <COMPOUND_NAME> (6,057)
WAY-323179

>  <BAR_CODE_NO> (6,057)
298180

$$$$
WAY-323185
csChFnd80/06171916332D

 26 30  0  0  0  0  0  0  0  0999 V2000
    3.5792   -2.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5792   -2.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3000   -1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3000   -0.8792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0042   -2.1167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2875   -3.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8667   -3.3542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7167   -1.7042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7167   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1500   -2.9375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0042   -2.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1500   -2.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3042   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8792   -4.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1000   -0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0875    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4667    0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6667    1.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6792    0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0542    1.4458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1667   -4.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5875   -4.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8500    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1667   -5.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6000   -5.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875   -5.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5 11  1  0  0  0  0
  6  1  1  0  0  0  0
  7  1  1  0  0  0  0
  8  5  1  0  0  0  0
  9  4  1  0  0  0  0
 10  7  1  0  0  0  0
 11  6  2  0  0  0  0
 12  2  1  0  0  0  0
 13  9  1  0  0  0  0
 14  7  1  0  0  0  0
 15 13  2  0  0  0  0
 16 13  1  0  0  0  0
 17 18  1  0  0  0  0
 18 16  2  0  0  0  0
 19 15  1  0  0  0  0
 20 17  1  0  0  0  0
 21 14  2  0  0  0  0
 22 14  1  0  0  0  0
 23 20  1  0  0  0  0
 24 21  1  0  0  0  0
 25 22  2  0  0  0  0
 26 25  1  0  0  0  0
 12 10  2  0  0  0  0
  3  5  1  0  0  0  0
  8  9  2  0  0  0  0
 24 26  2  0  0  0  0
 19 17  2  0  0  0  0
M  END
>  <Mol_ID> (6,058)
6058

>  <Formula> (6,058)
C19H14N6O

>  <MolWeight> (6,058)
342.35406

>  <COMPOUND_NAME> (6,058)
WAY-323185

>  <BAR_CODE_NO> (6,058)
298186

$$$$
WAY-323195-A
csChFnd80/06171916332D

 26 28  0  0  0  0  0  0  0  0999 V2000
    0.8667    0.4500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8500    0.4500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0208    1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7167    0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1625    1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4500    0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4375    1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4375   -0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4500    1.9458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1542    1.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0208   -0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3125    0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208    1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208   -0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4375    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3125   -1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9875   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0167    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7458   -0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4500   -1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2875    0.4333    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7458   -1.7875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3208   -2.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7458   -3.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 16  1  0  0  0  0
  3  5  1  0  0  0  0
  4  1  1  0  0  0  0
  5 10  1  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8  1  1  0  0  0  0
  9  3  2  0  0  0  0
 10  2  1  0  0  0  0
 11  4  2  0  0  0  0
 12  4  1  0  0  0  0
 13  6  1  0  0  0  0
 14  6  2  0  0  0  0
 15  7  1  0  0  0  0
 16  8  1  0  0  0  0
 17 19  1  0  0  0  0
 18 21  2  0  0  0  0
 19 12  2  0  0  0  0
 20 11  1  0  0  0  0
 21 14  1  0  0  0  0
 22 13  2  0  0  0  0
 23 17  1  0  0  0  0
 24 18  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 15  2  1  0  0  0  0
 17 20  2  0  0  0  0
 22 18  1  0  0  0  0
M  END
>  <Mol_ID> (6,059)
6059

>  <Formula> (6,059)
C21H25FN2O2

>  <MolWeight> (6,059)
356.4338032

>  <COMPOUND_NAME> (6,059)
WAY-323195-A

>  <BAR_CODE_NO> (6,059)
298196

$$$$
WAY-323214
csChFnd80/06171916332D

 26 29  0  0  0  0  0  0  0  0999 V2000
    5.8042   -5.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1542   -5.4542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5042   -5.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4542   -5.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1042   -5.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7667   -5.4542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1542   -6.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4375   -4.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8292   -5.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.8042   -4.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3167   -4.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5042   -6.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1042   -4.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5042   -7.3375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7000   -4.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4542   -3.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4167   -5.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7667   -3.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4542   -6.2042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4167   -4.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   -3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8542   -7.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8542   -6.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0667   -5.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2042   -7.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2042   -6.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  2  1  0  0  0  0
  8  3  2  0  0  0  0
  9  3  1  0  0  0  0
 10  1  1  0  0  0  0
 11  9  1  0  0  0  0
 12  7  1  0  0  0  0
 13 16  1  0  0  0  0
 14 12  2  0  0  0  0
 15  8  1  0  0  0  0
 16 10  2  0  0  0  0
 17  6  1  0  0  0  0
 18 13  2  0  0  0  0
 19  4  1  0  0  0  0
 20 18  1  0  0  0  0
 21  8  1  0  0  0  0
 22 14  1  0  0  0  0
 23 12  1  0  0  0  0
 24 17  1  0  0  0  0
 25 26  1  0  0  0  0
 26 23  2  0  0  0  0
 13  5  1  0  0  0  0
 15 11  2  0  0  0  0
 20 17  2  0  0  0  0
 22 25  2  0  0  0  0
M  END
>  <Mol_ID> (6,060)
6060

>  <Formula> (6,060)
C21H19N3OS

>  <MolWeight> (6,060)
361.46006

>  <COMPOUND_NAME> (6,060)
WAY-323214

>  <BAR_CODE_NO> (6,060)
298215

$$$$
WAY-323216
csChFnd80/06171916332D

 34 38  0  0  0  0  0  0  0  0999 V2000
    8.1792   -4.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5042   -4.4375    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.5375   -3.6875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1875   -4.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3667   -4.9792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9042   -4.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8875   -4.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8500   -4.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9542   -3.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7500   -5.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2167   -3.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2875   -5.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1375   -3.9292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0375   -5.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   -5.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2167   -3.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7000   -4.5375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1042   -4.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3000   -2.6375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3875   -4.1667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5542   -5.8375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5042   -5.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7542   -5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2042   -2.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7167   -2.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8042   -6.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3000   -6.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8292   -3.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5792   -5.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8042   -5.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7042   -1.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9667   -2.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8292   -6.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0875   -6.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  2  1  0  0  0  0
  7  4  2  0  0  0  0
  8  1  2  0  0  0  0
  9  3  1  0  0  0  0
 10  4  1  0  0  0  0
 11  9  2  0  0  0  0
 12  1  1  0  0  0  0
 13  7  1  0  0  0  0
 14 12  2  0  0  0  0
 15 10  2  0  0  0  0
 16  3  1  0  0  0  0
 17 15  1  0  0  0  0
 18  5  1  0  0  0  0
 19 16  2  0  0  0  0
 20 18  2  0  0  0  0
 21 15  1  0  0  0  0
 22 30  1  0  0  0  0
 23 22  2  0  0  0  0
 24  9  1  0  0  0  0
 25 11  1  0  0  0  0
 26 12  1  0  0  0  0
 27 14  1  0  0  0  0
 28 16  1  0  0  0  0
 29 18  1  0  0  0  0
 30 21  1  0  0  0  0
 31 24  2  0  0  0  0
 32 31  1  0  0  0  0
 33 34  1  0  0  0  0
 34 26  2  0  0  0  0
 14  5  1  0  0  0  0
 27 33  2  0  0  0  0
  7 11  1  0  0  0  0
 17 13  2  0  0  0  0
 25 32  2  0  0  0  0
M  END
>  <Mol_ID> (6,061)
6061

>  <Formula> (6,061)
C25H21N5O3S

>  <MolWeight> (6,061)
471.53094

>  <COMPOUND_NAME> (6,061)
WAY-323216

>  <BAR_CODE_NO> (6,061)
298217

$$$$
WAY-326354
csChFnd80/06171916332D

 25 27  0  0  0  0  0  0  0  0999 V2000
   14.2667   -2.0750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.5292   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3375   -0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1292   -4.5375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.4125   -2.0750    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.1250   -1.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6167    1.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9375   -6.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4042    2.9458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3375    2.0083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3292    2.0083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9792   -8.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9292    5.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9417   10.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0250  -13.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4542   12.9792    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   10.7250    7.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3875  -10.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6417    6.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5750   -9.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2292    9.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1542    8.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6167  -11.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4292  -13.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0667  -16.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  2  1  0  0  0  0
  9  7  1  0  0  0  0
 10  3  2  0  0  0  0
 11  7  2  0  0  0  0
 12  8  1  0  0  0  0
 13  9  1  0  0  0  0
 14 22  1  0  0  0  0
 15 23  2  0  0  0  0
 16 14  1  0  0  0  0
 17 13  2  0  0  0  0
 18 12  1  0  0  0  0
 19 13  1  0  0  0  0
 20 12  2  0  0  0  0
 21 17  1  0  0  0  0
 22 19  2  0  0  0  0
 23 20  1  0  0  0  0
 24 18  2  0  0  0  0
 25 15  1  0  0  0  0
  5  4  1  0  0  0  0
 15 24  1  0  0  0  0
 14 21  2  0  0  0  0
M  END
>  <Mol_ID> (6,062)
6062

>  <Formula> (6,062)
C17H14BrN3O3S

>  <MolWeight> (6,062)
420.28036

>  <COMPOUND_NAME> (6,062)
WAY-326354

>  <BAR_CODE_NO> (6,062)
90472356

$$$$
WAY-359886
csChFnd80/06171916332D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -3.2208   -2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4708   -2.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8625   -2.5875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292   -1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9125   -1.8542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542   -1.1542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6208   -1.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4500   -1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4958   -2.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833   -2.0792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2458   -1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3500   -2.4542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542   -0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0375    1.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5125    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1708    1.8458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3333   -3.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208    2.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  7  1  0  0  0  0
  5  2  2  0  0  0  0
  6  4  1  0  0  0  0
  7 10  1  0  0  0  0
  8  1  2  0  0  0  0
  9  3  1  0  0  0  0
 10  5  1  0  0  0  0
 11  8  1  0  0  0  0
 12  4  2  0  0  0  0
 13  6  1  0  0  0  0
 14 18  1  0  0  0  0
 15 13  2  0  0  0  0
 16 13  1  0  0  0  0
 17 15  1  0  0  0  0
 18 16  2  0  0  0  0
 19 14  1  0  0  0  0
 20  2  1  0  0  0  0
 21 19  1  0  0  0  0
 11  9  2  0  0  0  0
 14 17  2  0  0  0  0
M  END
>  <Mol_ID> (6,063)
6063

>  <Formula> (6,063)
C15H16N2O3S

>  <MolWeight> (6,063)
304.36414

>  <COMPOUND_NAME> (6,063)
WAY-359886

>  <BAR_CODE_NO> (6,063)
90439499

$$$$
WAY-381475
csChFnd80/06171916332D

 26 30  0  0  0  0  0  0  0  0999 V2000
    5.6417   -4.5625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9917   -5.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8625   -3.8917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9292   -4.5625    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.2875   -3.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6417   -5.7917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7125   -3.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5750   -5.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9292   -5.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6875   -3.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6792   -6.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7917   -5.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2792   -2.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0792   -3.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0750   -6.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6667   -2.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9000   -2.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2792   -1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8917   -1.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6667   -1.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2792   -0.6417    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.8625   -5.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5750   -6.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2000   -5.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5042   -5.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8542   -6.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  2  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8  4  1  0  0  0  0
  9  8  2  0  0  0  0
 10  2  1  0  0  0  0
 11  2  1  0  0  0  0
 12 15  1  0  0  0  0
 13  5  1  0  0  0  0
 14 10  1  0  0  0  0
 15 11  1  0  0  0  0
 16 13  1  0  0  0  0
 17 13  2  0  0  0  0
 18 19  2  0  0  0  0
 19 17  1  0  0  0  0
 20 16  2  0  0  0  0
 21 18  1  0  0  0  0
 22  8  1  0  0  0  0
 23  9  1  0  0  0  0
 24 12  1  0  0  0  0
 25 22  2  0  0  0  0
 26 25  1  0  0  0  0
  7  5  1  0  0  0  0
  9  6  1  0  0  0  0
 12 14  1  0  0  0  0
 23 26  2  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (6,064)
6064

>  <Formula> (6,064)
C21H22FN3O

>  <MolWeight> (6,064)
351.4172832

>  <COMPOUND_NAME> (6,064)
WAY-381475

>  <BAR_CODE_NO> (6,064)
90438826

$$$$
WAY-384713
csChFnd80/06171916332D

 22 24  0  0  0  0  0  0  0  0999 V2000
    6.0167   -5.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0292   -5.1125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1292   -6.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1500   -7.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7792   -5.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2167   -6.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8792   -5.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5667   -6.9375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4875   -8.0167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5667   -9.0542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.4417   -6.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0500   -5.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7667   -7.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9917   -9.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8792   -7.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0625  -11.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1292   -9.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4000   -9.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6542  -10.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292  -10.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5667  -11.9417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -12.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  8  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  5  1  0  0  0  0
  8 11  1  0  0  0  0
  9  4  1  0  0  0  0
 10  4  2  0  0  0  0
 11  7  2  0  0  0  0
 12  1  2  0  0  0  0
 13  6  1  0  0  0  0
 14  9  1  0  0  0  0
 15 13  2  0  0  0  0
 16 20  2  0  0  0  0
 17 14  1  0  0  0  0
 18 14  2  0  0  0  0
 19 17  2  0  0  0  0
 20 18  1  0  0  0  0
 21 16  1  0  0  0  0
 22 21  1  0  0  0  0
  6  5  2  0  0  0  0
 15 11  1  0  0  0  0
 19 16  1  0  0  0  0
M  END
>  <Mol_ID> (6,065)
6065

>  <Formula> (6,065)
C15H14N4O2S

>  <MolWeight> (6,065)
314.36226

>  <COMPOUND_NAME> (6,065)
WAY-384713

>  <BAR_CODE_NO> (6,065)
90441885

$$$$
WAY-394670
csChFnd80/06171916332D

 25 28  0  0  0  0  0  0  0  0999 V2000
    6.0802    8.1301    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.3359    8.9218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6679    9.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    8.9218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2556    8.1301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1168    9.1867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3690    9.9794    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1906    9.9802    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4559    9.2026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7876    8.7072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7898    7.8827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0769    7.4684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5051    7.4723    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5089    6.6505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7959    6.2278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8038    5.4075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5206    5.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2296    5.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2257    6.2401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6700   10.6511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3305   11.4057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8109   12.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6314   11.9892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9718   11.2428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4906   10.5696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  2  3  2  0  0  0  0
  2  6  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  6  7  2  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 20  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  2  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
 20 25  2  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (6,066)
6066

>  <Formula> (6,066)
C19H14N4OS

>  <MolWeight> (6,066)
346.40566

>  <COMPOUND_NAME> (6,066)
WAY-394670

>  <BAR_CODE_NO> (6,066)
90437356

$$$$
WAY-604080-A
csChFnd80/06171916332D

 17 19  0  0  0  0  0  0  0  0999 V2000
    3.8625    0.3708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3417    1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8625    1.7000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0750    0.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0750    1.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1667    1.0333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1167   -0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5625   -1.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3625    0.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3625    1.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7542   -0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8167   -1.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    1.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2667   -2.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042   -1.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4542   -2.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  2  2  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9  4  1  0  0  0  0
 10  5  1  0  0  0  0
 11  8  1  0  0  0  0
 12  8  2  0  0  0  0
 13  9  1  0  0  0  0
 14 13  1  0  0  0  0
 15 12  1  0  0  0  0
 16 11  2  0  0  0  0
 17 16  1  0  0  0  0
  5  3  1  0  0  0  0
 14 10  1  0  0  0  0
 15 17  2  0  0  0  0
M  END
>  <Mol_ID> (6,067)
6067

>  <Formula> (6,067)
C14H16N2S

>  <MolWeight> (6,067)
244.35524

>  <COMPOUND_NAME> (6,067)
WAY-604080-A

>  <BAR_CODE_NO> (6,067)
90437655

$$$$
WAY-604116
csChFnd80/06171916332D

 20 23  0  0  0  0  0  0  0  0999 V2000
   -0.7650   -0.0692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7202    0.6722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2926   -0.6692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4547   -0.2071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1202    0.3032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3926    0.9895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9616   -0.3588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0857    0.0653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5350   -0.0726    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1202    1.0515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9305    0.4136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0616    0.7895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7029   -0.5312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1798    0.3032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8350   -0.0726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8350   -0.8243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4798    0.3032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4798   -1.1968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350   -0.0726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1281   -0.8174    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  9 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (6,068)
6068

>  <Formula> (6,068)
C17H22N2O

>  <MolWeight> (6,068)
270.36938

>  <COMPOUND_NAME> (6,068)
WAY-604116

>  <BAR_CODE_NO> (6,068)
90437693

$$$$
WAY-604131
csChFnd80/06171916332D

 19 21  0  0  0  0  0  0  0  0999 V2000
    2.6042   -0.2625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792   -0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833   -0.9292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792    1.1708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9708    0.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9708   -0.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0167    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958   -0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6042    1.1708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833    0.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417    0.4583    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6750    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6750   -1.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667   -0.9750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8417    0.4583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292   -0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3958    0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3958   -0.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7  4  2  0  0  0  0
  8  1  1  0  0  0  0
  9 17  1  0  0  0  0
 10  8  1  0  0  0  0
 11  9  2  0  0  0  0
 12  2  1  0  0  0  0
 13  6  1  0  0  0  0
 14  7  1  0  0  0  0
 15  3  2  0  0  0  0
 16  8  2  0  0  0  0
 17 12  1  0  0  0  0
 18 13  2  0  0  0  0
 19 14  2  0  0  0  0
  2  5  2  0  0  0  0
  7  6  1  0  0  0  0
 19 18  1  0  0  0  0
M  END
>  <Mol_ID> (6,069)
6069

>  <Formula> (6,069)
C11H9N5O2S

>  <MolWeight> (6,069)
275.28646

>  <COMPOUND_NAME> (6,069)
WAY-604131

>  <BAR_CODE_NO> (6,069)
90437709

$$$$
WAY-604180
csChFnd80/06171916332D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.6312    0.1821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6312    1.2925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3033   -0.3592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6002   -0.3661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3136    1.8511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6105    1.8511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2653    0.1821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3136   -1.4765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5795    0.1752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2550    1.3028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5795    1.3028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2240   -0.3765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5485   -0.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1998    1.8787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5485    1.8787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2171   -1.5006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1929    0.1649    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5485   -1.5110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1757   -2.0799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1722   -0.4110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5174   -2.0696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1619   -1.5282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  2  0  0  0  0
 12 17  1  0  0  0  0
 13 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  2  0  0  0  0
 18 21  1  0  0  0  0
 19 22  2  0  0  0  0
  7 10  2  0  0  0  0
  9 11  1  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (6,070)
6070

>  <Formula> (6,070)
C18H17NO3

>  <MolWeight> (6,070)
295.33248

>  <COMPOUND_NAME> (6,070)
WAY-604180

>  <BAR_CODE_NO> (6,070)
90437761

$$$$
WAY-604185
csChFnd80/06171916332D

 27 31  0  0  0  0  0  0  0  0999 V2000
    1.3167    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1042    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5917   -0.1667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5375    0.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4958   -1.5500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0083   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5375   -0.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2833   -1.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1042   -0.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2833   -0.4667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833   -0.8792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4958   -0.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7708   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3625    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9458   -1.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7708   -1.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2833   -2.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833    0.5458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042    1.7250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.1667    1.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3625   -1.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667    2.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4250    2.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8667    2.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7 13  1  0  0  0  0
  8  5  1  0  0  0  0
  9  3  1  0  0  0  0
 10  6  1  0  0  0  0
 11  3  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14  7  2  0  0  0  0
 15  8  1  0  0  0  0
 16  2  1  0  0  0  0
 17 10  1  0  0  0  0
 18 17  1  0  0  0  0
 19 17  1  0  0  0  0
 20 16  2  0  0  0  0
 21 15  2  0  0  0  0
 22 20  1  0  0  0  0
 23 16  1  0  0  0  0
 24 11  1  0  0  0  0
 25 20  1  0  0  0  0
 26 23  2  0  0  0  0
 27 26  1  0  0  0  0
  4 11  2  0  0  0  0
  9  8  2  0  0  0  0
 27 25  2  0  0  0  0
 10 12  2  0  0  0  0
 19 18  1  0  0  0  0
M  END
>  <Mol_ID> (6,071)
6071

>  <Formula> (6,071)
C18H14ClN5OS2

>  <MolWeight> (6,071)
415.91966

>  <COMPOUND_NAME> (6,071)
WAY-604185

>  <BAR_CODE_NO> (6,071)
90437766

$$$$
WAY-604310
csChFnd80/06171916332D

 27 30  0  0  0  0  0  0  0  0999 V2000
    0.1792   -1.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4375   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167   -0.1167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458    0.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    0.7083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6667   -1.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1792   -2.4917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4375    0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6000   -1.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6000   -2.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5208    1.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2833    1.0083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708    0.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1083    2.4375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.8917    1.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1083    1.0083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3458    1.7250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4375   -3.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208   -2.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6417    0.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0333   -1.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0333   -2.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4667    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3125    1.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2250    2.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  2  0  0  0  0
  7  6  1  0  0  0  0
  8  4  2  0  0  0  0
  9  1  1  0  0  0  0
 10  9  2  0  0  0  0
 11 16  1  0  0  0  0
 12 13  2  0  0  0  0
 13  4  1  0  0  0  0
 14 11  2  0  0  0  0
 15  5  1  0  0  0  0
 16 12  1  0  0  0  0
 17 11  1  0  0  0  0
 18  7  1  0  0  0  0
 19  9  1  0  0  0  0
 20 10  1  0  0  0  0
 21 15  1  0  0  0  0
 22 15  2  0  0  0  0
 23 19  2  0  0  0  0
 24 23  1  0  0  0  0
 25 22  1  0  0  0  0
 26 21  2  0  0  0  0
 27 25  2  0  0  0  0
 10  7  1  0  0  0  0
  8  5  1  0  0  0  0
 24 20  2  0  0  0  0
 27 26  1  0  0  0  0
M  END
>  <Mol_ID> (6,072)
6072

>  <Formula> (6,072)
C20H18N6S

>  <MolWeight> (6,072)
374.46212

>  <COMPOUND_NAME> (6,072)
WAY-604310

>  <BAR_CODE_NO> (6,072)
90437894

$$$$
WAY-604359-A
csChFnd80/06171916332D

 23 26  0  0  0  0  0  0  0  0999 V2000
    3.8625   -0.5792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0750   -0.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0750   -1.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3417   -1.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8625   -1.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1167    0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2667    2.2083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5625    0.8125    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.8167    1.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1625    3.4375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3625   -0.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3625   -2.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7542    0.6458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1667   -1.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1917   -2.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5167    2.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4542    2.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9042    2.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9667    3.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0167   -2.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5042   -2.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  1  1  0  0  0  0
  7  9  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10 19  1  0  0  0  0
 11  2  1  0  0  0  0
 12  3  1  0  0  0  0
 13  8  1  0  0  0  0
 14  4  1  0  0  0  0
 15  5  1  0  0  0  0
 16  7  1  0  0  0  0
 17  7  1  0  0  0  0
 18 17  1  0  0  0  0
 19 16  1  0  0  0  0
 20 11  1  0  0  0  0
 21 20  1  0  0  0  0
 22 23  1  0  0  0  0
 23 14  2  0  0  0  0
  5  3  1  0  0  0  0
 22 15  2  0  0  0  0
 21 12  1  0  0  0  0
 18 10  1  0  0  0  0
M  END
>  <Mol_ID> (6,073)
6073

>  <Formula> (6,073)
C19H26N2O2

>  <MolWeight> (6,073)
314.42194

>  <COMPOUND_NAME> (6,073)
WAY-604359-A

>  <BAR_CODE_NO> (6,073)
90437943

$$$$
WAY-604364
csChFnd80/06171916332D

 32 36  0  0  0  0  0  0  0  0999 V2000
   -1.5083   -2.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2583   -1.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9583   -3.1625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042   -2.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1500   -2.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458   -1.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3333   -2.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208   -1.2792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9375    1.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9375    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5875   -1.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7167    0.9458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7167    2.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958    1.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167    0.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042    1.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167    2.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2083   -0.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2083    0.7833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208   -0.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042   -3.6042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958   -0.8042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958   -0.4542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2125   -3.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9125   -2.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2083    2.4333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0542    3.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0250    1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2083    3.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8792    3.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3625    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9 15  2  0  0  0  0
 10 17  2  0  0  0  0
 11  7  2  0  0  0  0
 12  9  1  0  0  0  0
 13 10  1  0  0  0  0
 14 19  1  0  0  0  0
 15 14  1  0  0  0  0
 16 12  1  0  0  0  0
 17 21  1  0  0  0  0
 18 20  1  0  0  0  0
 19 18  1  0  0  0  0
 20  8  1  0  0  0  0
 21 14  2  0  0  0  0
 22  5  2  0  0  0  0
 23  6  2  0  0  0  0
 24 18  2  0  0  0  0
 25  3  1  0  0  0  0
 26  4  1  0  0  0  0
 27 21  1  0  0  0  0
 28 13  1  0  0  0  0
 29 16  1  0  0  0  0
 30 27  1  0  0  0  0
 31 28  2  0  0  0  0
 32 29  2  0  0  0  0
 11  8  1  0  0  0  0
  4  6  1  0  0  0  0
  9 10  1  0  0  0  0
 13 16  2  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <Mol_ID> (6,074)
6074

>  <Formula> (6,074)
C22H19N5O5

>  <MolWeight> (6,074)
433.41676

>  <COMPOUND_NAME> (6,074)
WAY-604364

>  <BAR_CODE_NO> (6,074)
90437949

$$$$
WAY-603594
csChFnd80/06171916332D

 31 34  0  0  0  0  0  0  0  0999 V2000
    1.3000   -1.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4125    1.1250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7875   -1.6875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7875   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4750   -1.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5667   -1.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5667   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0000    0.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8250    1.8375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0625   -0.3042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7625   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1750    0.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2792   -1.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6958    1.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1250    0.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2792   -0.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1750   -1.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0625   -1.7292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4125   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5292    0.4333    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.0000   -1.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -1.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7625   -1.7292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4125    2.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6500    1.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7125   -1.8417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4292   -1.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0625    2.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8250    3.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6500    3.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  8  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8 12  2  0  0  0  0
  9  2  1  0  0  0  0
 10  5  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13  6  1  0  0  0  0
 14  2  2  0  0  0  0
 15  2  2  0  0  0  0
 16  7  1  0  0  0  0
 17 11  2  0  0  0  0
 18  5  2  0  0  0  0
 19 21  2  0  0  0  0
 20  4  1  0  0  0  0
 21 17  1  0  0  0  0
 22 13  2  0  0  0  0
 23 16  2  0  0  0  0
 24 17  1  0  0  0  0
 25  9  1  0  0  0  0
 26  9  1  0  0  0  0
 27 22  1  0  0  0  0
 28 27  1  0  0  0  0
 29 26  1  0  0  0  0
 30 25  1  0  0  0  0
 31 29  1  0  0  0  0
  6  7  2  0  0  0  0
 23 22  1  0  0  0  0
 19  8  1  0  0  0  0
 31 30  1  0  0  0  0
M  END
>  <Mol_ID> (6,075)
6075

>  <Formula> (6,075)
C21H21ClN2O5S2

>  <MolWeight> (6,075)
480.98484

>  <COMPOUND_NAME> (6,075)
WAY-603594

>  <BAR_CODE_NO> (6,075)
90437149

$$$$
WAY-603610
csChFnd80/06171916332D

 22 25  0  0  0  0  0  0  0  0999 V2000
    1.0542    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0542    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3375   -0.2167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.3375    1.4333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8375    1.2708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167    0.6083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8375   -0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3375   -1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958    1.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8083    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8083    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -2.3167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042   -1.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958   -1.0417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333   -1.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0750   -2.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0917   -0.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3708    1.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6083    1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  4  2  0  0  0  0
  4  6  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  1  1  0  0  0  0
  9  8  1  0  0  0  0
 10  2  1  0  0  0  0
 11  5  1  0  0  0  0
 12  4  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 16  1  0  0  0  0
 16 11  2  0  0  0  0
 17  7  2  0  0  0  0
 18 11  1  0  0  0  0
 19 18  2  0  0  0  0
 20 10  1  0  0  0  0
 21 13  1  0  0  0  0
 22 13  1  0  0  0  0
  9 10  2  0  0  0  0
  3  5  1  0  0  0  0
  7 14  1  0  0  0  0
 15 19  1  0  0  0  0
M  END
>  <Mol_ID> (6,076)
6076

>  <Formula> (6,076)
C17H19N3OS

>  <MolWeight> (6,076)
313.41726

>  <COMPOUND_NAME> (6,076)
WAY-603610

>  <BAR_CODE_NO> (6,076)
90437165

$$$$
WAY-603625
csChFnd80/06171916332D

 21 23  0  0  0  0  0  0  0  0999 V2000
    3.6167    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1292   -0.2125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1292    1.1208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3500    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3500    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6292   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042   -0.3667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083    0.8708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2250   -0.3667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4417    0.4583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6292    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9375    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6583   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6583   -1.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3708    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0833   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3708   -1.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0833   -1.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  8  1  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8 11  1  0  0  0  0
  9  5  2  0  0  0  0
 10  5  1  0  0  0  0
 11  7  2  0  0  0  0
 12  1  2  0  0  0  0
 13  6  1  0  0  0  0
 14 13  2  0  0  0  0
 15 10  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 16  1  0  0  0  0
 19 18  2  0  0  0  0
 20 17  1  0  0  0  0
 21 19  1  0  0  0  0
  4  6  2  0  0  0  0
 11 14  1  0  0  0  0
 21 20  2  0  0  0  0
M  END
>  <Mol_ID> (6,077)
6077

>  <Formula> (6,077)
C15H14N4OS

>  <MolWeight> (6,077)
298.36286

>  <COMPOUND_NAME> (6,077)
WAY-603625

>  <BAR_CODE_NO> (6,077)
90611186

$$$$
WAY-603656
csChFnd80/06171916332D

 16 18  0  0  0  0  0  0  0  0999 V2000
    0.1667    0.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917    0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208   -0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208    0.8208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083   -0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792   -0.5167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792    0.8208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542   -0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0625   -1.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8208   -0.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8208    0.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9292   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5333   -0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5333    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  2  0  0  0  0
  7  2  1  0  0  0  0
  8  4  1  0  0  0  0
  9  6  1  0  0  0  0
 10  7  1  0  0  0  0
 11  3  2  0  0  0  0
 12  5  1  0  0  0  0
 13  8  1  0  0  0  0
 14  9  1  0  0  0  0
 15 12  2  0  0  0  0
 16 13  2  0  0  0  0
  5  8  2  0  0  0  0
 10  9  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (6,078)
6078

>  <Formula> (6,078)
C11H8N2OS2

>  <MolWeight> (6,078)
248.32402

>  <COMPOUND_NAME> (6,078)
WAY-603656

>  <BAR_CODE_NO> (6,078)
90437212

$$$$
WAY-603657
csChFnd80/06171916332D

 19 22  0  0  0  0  0  0  0  0999 V2000
   -0.3833    0.0833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708   -0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708    0.7458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292   -0.5875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292    0.7458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7125   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7125    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6125   -1.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3708   -0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3708    0.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4292   -0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4292    0.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0833   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0833    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1417    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1417   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  2  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8  4  1  0  0  0  0
  9  5  1  0  0  0  0
 10  7  1  0  0  0  0
 11  3  2  0  0  0  0
 12  6  1  0  0  0  0
 13  8  1  0  0  0  0
 14  9  1  0  0  0  0
 15 10  1  0  0  0  0
 16 12  2  0  0  0  0
 17 13  2  0  0  0  0
 18 15  2  0  0  0  0
 19 14  2  0  0  0  0
  6  8  2  0  0  0  0
 10  9  2  0  0  0  0
 16 17  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (6,079)
6079

>  <Formula> (6,079)
C14H8N2OS2

>  <MolWeight> (6,079)
284.35612

>  <COMPOUND_NAME> (6,079)
WAY-603657

>  <BAR_CODE_NO> (6,079)
90437213

$$$$
WAY-603687
csChFnd80/06171916332D

 31 36  0  0  0  0  0  0  0  0999 V2000
    0.7000    0.2750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833    0.0208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    1.1000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.4167   -0.1375    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.1292    0.2750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5708    0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833    1.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167    1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292    1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958    0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167   -4.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6333   -0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167   -0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8083   -0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167   -3.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0458    0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0458   -0.7375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708    0.6875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8083    1.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6333    1.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   -1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292   -1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167   -2.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   -2.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292   -2.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167    2.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8417    1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708   -0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2833   -0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8417    2.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  2  2  0  0  0  0
  7  3  1  0  0  0  0
  8  3  1  0  0  0  0
  9  5  1  0  0  0  0
 10  6  1  0  0  0  0
 11 15  3  0  0  0  0
 12 14  1  0  0  0  0
 13  4  1  0  0  0  0
 14 10  2  0  0  0  0
 15 23  1  0  0  0  0
 16 20  1  0  0  0  0
 17 12  1  0  0  0  0
 18 16  1  0  0  0  0
 19 10  1  0  0  0  0
 20 19  2  0  0  0  0
 21 13  2  0  0  0  0
 22 13  1  0  0  0  0
 23 25  1  0  0  0  0
 24 21  1  0  0  0  0
 25 22  2  0  0  0  0
 26  8  1  0  0  0  0
 27  9  1  0  0  0  0
 28 17  1  0  0  0  0
 29 18  1  0  0  0  0
 30 26  2  0  0  0  0
 31 27  2  0  0  0  0
  6  7  1  0  0  0  0
  8  9  2  0  0  0  0
 23 24  2  0  0  0  0
 30 31  1  0  0  0  0
 16 12  2  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (6,080)
6080

>  <Formula> (6,080)
C25H19N3O3

>  <MolWeight> (6,080)
409.43666

>  <COMPOUND_NAME> (6,080)
WAY-603687

>  <BAR_CODE_NO> (6,080)
90437244

$$$$
WAY-603701
csChFnd80/06171916332D

 35 39  0  0  0  0  0  0  0  0999 V2000
   -0.5625    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542   -0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2750    0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5625   -1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667   -1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5625    1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542    0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667   -1.9750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2750    1.7375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5625   -1.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9958    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0125    1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9958    1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542   -2.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2917    1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542    1.7375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5792   -0.7375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2750   -0.7375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9750   -0.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2917    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5792    1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5792    0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667    1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4250    1.0250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7250    2.1500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.6000    2.4583    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7083    0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2750   -2.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542   -3.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7083    1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2750   -3.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4208    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4208    1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5625   -3.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  2  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  1  1  0  0  0  0
  8  5  1  0  0  0  0
  9  6  1  0  0  0  0
 10  4  1  0  0  0  0
 11  3  1  0  0  0  0
 12 16  1  0  0  0  0
 13  9  1  0  0  0  0
 14  8  1  0  0  0  0
 15  7  1  0  0  0  0
 16 22  2  0  0  0  0
 17  6  2  0  0  0  0
 18  5  2  0  0  0  0
 19  3  1  0  0  0  0
 20  4  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 15  1  0  0  0  0
 24 15  2  0  0  0  0
 25 12  1  0  0  0  0
 26 12  1  0  0  0  0
 27 12  1  0  0  0  0
 28 11  1  0  0  0  0
 29 10  1  0  0  0  0
 30 14  1  0  0  0  0
 31 13  1  0  0  0  0
 32 29  2  0  0  0  0
 33 28  2  0  0  0  0
 34 31  2  0  0  0  0
 35 30  2  0  0  0  0
 11 13  2  0  0  0  0
 16 21  1  0  0  0  0
 14 10  2  0  0  0  0
 33 34  1  0  0  0  0
 35 32  1  0  0  0  0
M  END
>  <Mol_ID> (6,081)
6081

>  <Formula> (6,081)
C26H15F3O6

>  <MolWeight> (6,081)
480.3889096

>  <COMPOUND_NAME> (6,081)
WAY-603701

>  <BAR_CODE_NO> (6,081)
90437260

$$$$
WAY-603727
csChFnd80/06171916332D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.5875    2.4583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000    2.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000    1.3708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667    1.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5875    1.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417    0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417   -1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9833    2.4583    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083   -1.6792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2875   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9833    1.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4708    1.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3500   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8917    1.7833    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.8208   -1.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417   -2.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083   -3.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708   -2.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1125   -2.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7 10  1  0  0  0  0
  8  2  1  0  0  0  0
  9  7  1  0  0  0  0
 10  6  2  0  0  0  0
 11  3  1  0  0  0  0
 12  8  1  0  0  0  0
 13  7  2  0  0  0  0
 14  4  1  0  0  0  0
 15  9  1  0  0  0  0
 16  9  1  0  0  0  0
 17 16  1  0  0  0  0
 18 15  1  0  0  0  0
 19 17  1  0  0  0  0
  5  3  1  0  0  0  0
 11 12  2  0  0  0  0
 19 18  1  0  0  0  0
M  END
>  <Mol_ID> (6,082)
6082

>  <Formula> (6,082)
C13H14ClN3OS

>  <MolWeight> (6,082)
295.78776

>  <COMPOUND_NAME> (6,082)
WAY-603727

>  <BAR_CODE_NO> (6,082)
90437288

$$$$
WAY-603762
csChFnd80/06171916332D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -0.6333   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542   -0.0625    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.1208    0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208   -0.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083    0.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542   -0.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3375    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8625    1.1458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8625   -1.7542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542   -0.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5750   -1.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5417   -0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708    1.3083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1250    0.9875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6208   -1.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6208    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1542   -0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292    0.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042    1.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3333    0.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3333   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0917    2.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5167    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9417   -0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1250    0.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8  2  1  0  0  0  0
  9  3  2  0  0  0  0
 10  4  2  0  0  0  0
 11  1  1  0  0  0  0
 12  7  2  0  0  0  0
 13  7  1  0  0  0  0
 14  8  2  0  0  0  0
 15  8  1  0  0  0  0
 16  5  1  0  0  0  0
 17  6  1  0  0  0  0
 18 13  1  0  0  0  0
 19 13  2  0  0  0  0
 20 15  1  0  0  0  0
 21 17  2  0  0  0  0
 22 16  2  0  0  0  0
 23 20  1  0  0  0  0
 24 19  1  0  0  0  0
 25 18  2  0  0  0  0
 26 24  2  0  0  0  0
  5  6  2  0  0  0  0
 22 21  1  0  0  0  0
 26 25  1  0  0  0  0
M  END
>  <Mol_ID> (6,083)
6083

>  <Formula> (6,083)
C20H16O6

>  <MolWeight> (6,083)
352.33744

>  <COMPOUND_NAME> (6,083)
WAY-603762

>  <BAR_CODE_NO> (6,083)
90437323

$$$$
WAY-603767
csChFnd80/06171916332D

 15 17  0  0  0  0  0  0  0  0999 V2000
    0.6044    0.4636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1211   -0.2114    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4586   -0.9614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4294    0.3803    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2836   -1.0489    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1086    1.1303    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7711   -0.3739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6706    0.0386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6789    0.8678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0289   -1.6364    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5919   -0.4614    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3914   -0.3739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3914    1.2803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1039    0.0386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1039    0.8678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  7  1  0  0  0  0
  6  1  2  0  0  0  0
  7  4  2  0  0  0  0
  8  2  1  0  0  0  0
  9  6  1  0  0  0  0
 10  3  2  0  0  0  0
 11  7  1  0  0  0  0
 12  8  2  0  0  0  0
 13  9  2  0  0  0  0
 14 12  1  0  0  0  0
 15 13  1  0  0  0  0
  9  8  1  0  0  0  0
  3  5  1  0  0  0  0
 15 14  2  0  0  0  0
M  END
>  <Mol_ID> (6,084)
6084

>  <Formula> (6,084)
C9H7N5O

>  <MolWeight> (6,084)
201.18478

>  <COMPOUND_NAME> (6,084)
WAY-603767

>  <BAR_CODE_NO> (6,084)
90437330

$$$$
WAY-603780
csChFnd80/06171916332D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -1.4375    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208    1.3375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1292   -1.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -1.6542    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.9208    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6125    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3500   -1.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1292   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7083    1.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000    1.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7083    0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8625   -0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2125    2.0958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3500   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125   -2.4792    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.2000   -0.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5542   -1.3167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6250   -0.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0375   -0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4208    1.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4208   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1333    1.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1333    0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  7  1  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7 12  1  0  0  0  0
  8 14  1  0  0  0  0
  9  2  1  0  0  0  0
 10  6  1  0  0  0  0
 11  5  1  0  0  0  0
 12 19  1  0  0  0  0
 13 10  3  0  0  0  0
 14 12  2  0  0  0  0
 15  4  1  0  0  0  0
 16  6  2  0  0  0  0
 17  4  2  0  0  0  0
 18 16  1  0  0  0  0
 19 18  2  0  0  0  0
 20  9  1  0  0  0  0
 21 11  1  0  0  0  0
 22 20  2  0  0  0  0
 23 21  2  0  0  0  0
 11  9  2  0  0  0  0
 23 22  1  0  0  0  0
  8  3  2  0  0  0  0
M  END
>  <Mol_ID> (6,085)
6085

>  <Formula> (6,085)
C16H10N4O3

>  <MolWeight> (6,085)
306.2756

>  <COMPOUND_NAME> (6,085)
WAY-603780

>  <BAR_CODE_NO> (6,085)
90437343

$$$$
WAY-603814
csChFnd80/06171916332D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -1.6589   -0.9994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2762   -0.9994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3382    0.2006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0589   -2.3132    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5238    0.1144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1549   -2.3132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6244    1.4213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7210    0.2006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9865   -3.1132    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8928   -0.0270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4411   -2.7477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2969    2.6213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2451    1.4213    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4210    1.4213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7031    1.0868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4756   -1.2649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7210    2.6213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0756    0.9523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8273   -1.3994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4244    3.8006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6549   -0.2856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0238   -0.3994    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  2  0  0  0  0
 10 15  1  0  0  0  0
 10 16  2  0  0  0  0
 12 17  2  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
  6  9  1  0  0  0  0
 14 17  1  0  0  0  0
 19 21  2  0  0  0  0
M  END
>  <Mol_ID> (6,086)
6086

>  <Formula> (6,086)
C16H13ClN2O3

>  <MolWeight> (6,086)
316.73902

>  <COMPOUND_NAME> (6,086)
WAY-603814

>  <BAR_CODE_NO> (6,086)
90437378

$$$$
WAY-603816
csChFnd80/06171916332D

 23 26  0  0  0  0  0  0  0  0999 V2000
   -1.2414    0.9729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2414    1.8074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5345    0.5695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9552    0.5695    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5345    2.2212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9552    2.2074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1828    0.9729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5345   -0.2650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6724    0.9729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1828    1.7936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5345    3.0453    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.6724    1.7936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9069    0.5591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9069   -0.2754    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6172   -0.6788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1828   -0.6788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6172   -1.5133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1966   -1.5133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8966   -1.9271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3310   -1.9271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9069   -2.7650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3310   -2.7650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6172   -3.1754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 17 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
  7 10  1  0  0  0  0
  9 12  2  0  0  0  0
 18 19  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (6,087)
6087

>  <Formula> (6,087)
C19H17ClN2O

>  <MolWeight> (6,087)
324.80408

>  <COMPOUND_NAME> (6,087)
WAY-603816

>  <BAR_CODE_NO> (6,087)
90437381

$$$$
WAY-603855
csChFnd80/06171916332D

 21 22  0  0  0  0  0  0  0  0999 V2000
    3.4265    0.0318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4318   -0.5475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4332    0.0334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4310    1.1934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4190    1.7700    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4218    1.1858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3936    0.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2522    0.0312    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9729    1.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9729   -0.9585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0936    0.0312    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2522    1.1829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2522   -1.1378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1005    1.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1005   -0.9585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4995   -0.9861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6832    0.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6789   -0.9861    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0936   -2.0171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8315    0.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2582    0.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  2  3  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  2  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8 11  1  0  0  0  0
  8 12  2  0  0  0  0
  8 13  2  0  0  0  0
  9 14  2  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  2  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 15 17  2  0  0  0  0
 21  1  1  0  0  0  0
M  END
>  <Mol_ID> (6,088)
6088

>  <Formula> (6,088)
C14H15N3O3S

>  <MolWeight> (6,088)
305.3522

>  <COMPOUND_NAME> (6,088)
WAY-603855

>  <BAR_CODE_NO> (6,088)
90437423

$$$$
WAY-603859-A
csChFnd80/06171916332D

 31 35  0  0  0  0  0  0  0  0999 V2000
    5.2917   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7792   -0.9542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.9375    1.1333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3792   -1.6792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6042    0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7625    1.0708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9667    0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5917   -1.1750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.9042   -2.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5917   -1.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6625   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9250    1.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7250    0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6792   -3.1167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9000   -2.1125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1542   -1.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3167   -1.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667   -2.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7292    2.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3750    2.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2042    1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3667    0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8750   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6292    3.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5292   -0.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9875    2.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0375   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0417    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4292    3.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  5  2  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  1  2  0  0  0  0
  8  2  1  0  0  0  0
  9  4  1  0  0  0  0
 10  4  1  0  0  0  0
 11  8  1  0  0  0  0
 12  6  1  0  0  0  0
 13  5  1  0  0  0  0
 14  9  2  0  0  0  0
 15 17  2  0  0  0  0
 16 10  1  0  0  0  0
 17 16  1  0  0  0  0
 18 15  1  0  0  0  0
 19 12  1  0  0  0  0
 20 12  2  0  0  0  0
 21 13  2  0  0  0  0
 22 13  1  0  0  0  0
 23 17  1  0  0  0  0
 24 29  1  0  0  0  0
 25 20  1  0  0  0  0
 26 21  1  0  0  0  0
 27 22  2  0  0  0  0
 28 19  2  0  0  0  0
 29 23  2  0  0  0  0
 30 26  2  0  0  0  0
 31 28  1  0  0  0  0
  3  6  1  0  0  0  0
 11  9  1  0  0  0  0
 27 30  1  0  0  0  0
 25 31  2  0  0  0  0
 24 18  2  0  0  0  0
M  END
>  <Mol_ID> (6,089)
6089

>  <Formula> (6,089)
C25H22N4OS

>  <MolWeight> (6,089)
426.53338

>  <COMPOUND_NAME> (6,089)
WAY-603859-A

>  <BAR_CODE_NO> (6,089)
90437428

$$$$
WAY-603899
csChFnd80/06171916332D

 25 27  0  0  0  0  0  0  0  0999 V2000
    0.4375    0.0583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1792   -0.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1583    2.8583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7292   -1.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6250   -0.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    2.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792   -2.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5417   -1.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833   -1.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1750   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1417    1.4583    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.8375   -2.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2375   -1.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0917   -1.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9833   -0.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292   -2.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6875   -1.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0458   -1.4125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3917   -3.1792    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.9417    1.6333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292    3.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6458    3.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1583    4.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292    3.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  6  1  0  0  0  0
  4  2  1  0  0  0  0
  5  2  1  0  0  0  0
  6 12  1  0  0  0  0
  7  4  1  0  0  0  0
  8  4  2  0  0  0  0
  9  5  2  0  0  0  0
 10  5  1  0  0  0  0
 11  1  1  0  0  0  0
 12 11  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15  8  1  0  0  0  0
 16 10  2  0  0  0  0
 17  7  2  0  0  0  0
 18  9  1  0  0  0  0
 19 14  1  0  0  0  0
 20 13  1  0  0  0  0
 21 12  1  0  0  0  0
 22  3  1  0  0  0  0
 23  3  1  0  0  0  0
 24 23  1  0  0  0  0
 25 22  1  0  0  0  0
 14 18  2  0  0  0  0
 13 17  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (6,090)
6090

>  <Formula> (6,090)
C20H23Cl2NO2

>  <MolWeight> (6,090)
380.30812

>  <COMPOUND_NAME> (6,090)
WAY-603899

>  <BAR_CODE_NO> (6,090)
90437469

$$$$
WAY-603911
csChFnd80/06171916332D

 33 37  0  0  0  0  0  0  0  0999 V2000
    1.4167   -0.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292   -1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042   -1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042   -1.1417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1625   -0.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1625   -1.9667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1625   -1.1417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750   -2.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042   -1.9667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000    0.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167   -2.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750   -0.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7167    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542    1.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8333   -2.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542    1.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958   -0.5417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9500    2.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7083    1.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6917    3.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1625   -3.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458   -3.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5833   -2.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2417    4.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1125    3.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2500   -2.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4083   -3.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708    4.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917    5.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1625   -3.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1875    5.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  2  0  0  0  0
  5  1  1  0  0  0  0
  6  8  1  0  0  0  0
  7 13  2  0  0  0  0
  8  3  2  0  0  0  0
  9  5  2  0  0  0  0
 10  4  1  0  0  0  0
 11  9  1  0  0  0  0
 12  2  2  0  0  0  0
 13  3  1  0  0  0  0
 14  5  1  0  0  0  0
 15 18  1  0  0  0  0
 16  6  1  0  0  0  0
 17 15  1  0  0  0  0
 18 14  2  0  0  0  0
 19  9  1  0  0  0  0
 20 17  1  0  0  0  0
 21 11  1  0  0  0  0
 22 20  1  0  0  0  0
 23 12  1  0  0  0  0
 24 16  2  0  0  0  0
 25 16  1  0  0  0  0
 26 22  1  0  0  0  0
 27 22  2  0  0  0  0
 28 25  2  0  0  0  0
 29 24  1  0  0  0  0
 30 27  1  0  0  0  0
 31 26  2  0  0  0  0
 32 28  1  0  0  0  0
 33 30  2  0  0  0  0
 10 12  1  0  0  0  0
 15 11  2  0  0  0  0
  6  7  1  0  0  0  0
 32 29  2  0  0  0  0
 33 31  1  0  0  0  0
M  END
>  <Mol_ID> (6,091)
6091

>  <Formula> (6,091)
C27H24N4O2

>  <MolWeight> (6,091)
436.50506

>  <COMPOUND_NAME> (6,091)
WAY-603911

>  <BAR_CODE_NO> (6,091)
90437481

$$$$
WAY-603949
csChFnd80/06171916332D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -0.8125   -0.4042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0417   -0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292    0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3542   -0.6792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5250    0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6167   -0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0958    0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9417   -1.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292   -1.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5250    0.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8125    1.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0958    0.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2458   -0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2458    1.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9583    0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9583    0.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  1  1  0  0  0  0
  6  8  1  0  0  0  0
  7  2  2  0  0  0  0
  8  1  2  0  0  0  0
  9 10  2  0  0  0  0
 10  2  1  0  0  0  0
 11  5  2  0  0  0  0
 12 13  2  0  0  0  0
 13  8  1  0  0  0  0
 14  5  1  0  0  0  0
 15 11  1  0  0  0  0
 16 14  2  0  0  0  0
 17 16  1  0  0  0  0
 11 12  1  0  0  0  0
 17 15  2  0  0  0  0
  4  9  1  0  0  0  0
M  END
>  <Mol_ID> (6,092)
6092

>  <Formula> (6,092)
C15H11NS

>  <MolWeight> (6,092)
237.31954

>  <COMPOUND_NAME> (6,092)
WAY-603949

>  <BAR_CODE_NO> (6,092)
90437519

$$$$
WAY-604008-A
csChFnd80/06171916332D

 21 24  0  0  0  0  0  0  0  0999 V2000
    2.9917   -1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417   -0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1792    4.1375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1792    2.8083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6917   -2.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2250   -2.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8500   -1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6917    3.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1625   -1.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3292   -2.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4792   -1.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9625    3.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9625    3.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.9542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5042   -1.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8417   -2.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2125   -2.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7792    0.0458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9167    2.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    1.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042    0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  8  2  0  0  0  0
  4 19  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  1  1  0  0  0  0
  8  4  1  0  0  0  0
  9  6  1  0  0  0  0
 10  5  1  0  0  0  0
 11  7  1  0  0  0  0
 12 13  2  0  0  0  0
 13  4  1  0  0  0  0
 14  2  2  0  0  0  0
 15  9  1  0  0  0  0
 16 11  1  0  0  0  0
 17 11  1  0  0  0  0
 18  2  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 18  1  0  0  0  0
 17 10  1  0  0  0  0
  9 16  1  0  0  0  0
 15 10  1  0  0  0  0
  3 12  1  0  0  0  0
M  END
>  <Mol_ID> (6,093)
6093

>  <Formula> (6,093)
C17H25N3O

>  <MolWeight> (6,093)
287.3999

>  <COMPOUND_NAME> (6,093)
WAY-604008-A

>  <BAR_CODE_NO> (6,093)
90437580

$$$$
WAY-604429
csChFnd80/06171916332D

 31 35  0  0  0  0  0  0  0  0999 V2000
   -2.2958    0.9208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4417   -1.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8917   -1.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1875   -0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792   -0.3792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1708   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0833    1.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0375    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792   -1.7792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8083    1.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9750   -0.8167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0833    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2333   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500   -1.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7417    0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5958   -0.4792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2958    2.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7958    0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7958    2.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042   -2.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8042   -0.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4875    0.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5500   -0.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5083    1.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5083    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1000    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0375    1.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6042   -1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3125   -2.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8417    1.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8667   -1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  9  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6 11  1  0  0  0  0
  7  1  1  0  0  0  0
  8  1  1  0  0  0  0
  9  6  1  0  0  0  0
 10  1  1  0  0  0  0
 11 13  1  0  0  0  0
 12  7  2  0  0  0  0
 13  8  1  0  0  0  0
 14  2  1  0  0  0  0
 15  4  1  0  0  0  0
 16  8  2  0  0  0  0
 17 10  1  0  0  0  0
 18  7  1  0  0  0  0
 19 12  1  0  0  0  0
 20 14  1  0  0  0  0
 21 14  2  0  0  0  0
 22 15  2  0  0  0  0
 23 15  1  0  0  0  0
 24 18  2  0  0  0  0
 25 24  1  0  0  0  0
 26 23  2  0  0  0  0
 27 22  1  0  0  0  0
 28 21  1  0  0  0  0
 29 20  2  0  0  0  0
 30 26  1  0  0  0  0
 31 28  2  0  0  0  0
 12 17  1  0  0  0  0
 25 19  2  0  0  0  0
  2  4  2  0  0  0  0
 30 27  2  0  0  0  0
 31 29  1  0  0  0  0
M  END
>  <Mol_ID> (6,094)
6094

>  <Formula> (6,094)
C25H20N4OS

>  <MolWeight> (6,094)
424.5175

>  <COMPOUND_NAME> (6,094)
WAY-604429

>  <BAR_CODE_NO> (6,094)
90438014

$$$$
WAY-604439
csChFnd80/06171916332D

 27 30  0  0  0  0  0  0  0  0999 V2000
    0.1042    0.6583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5875    1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667    1.0708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5875   -0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667    0.2458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292   -2.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292   -0.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792   -1.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208    0.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292    2.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1750   -2.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1792   -2.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1750    3.6750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9875   -2.6375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7333   -1.7542    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167   -3.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292   -3.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333   -3.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292    3.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7333    3.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1333    1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1333   -0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792    2.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4750    2.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9583   -0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9583    1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3708    0.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  8  1  0  0  0  0
  7  4  1  0  0  0  0
  8  7  1  0  0  0  0
  9  1  1  0  0  0  0
 10  2  1  0  0  0  0
 11  6  2  0  0  0  0
 12  6  1  0  0  0  0
 13 20  2  0  0  0  0
 14 12  1  0  0  0  0
 15 11  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  2  0  0  0  0
 18 11  1  0  0  0  0
 19 23  2  0  0  0  0
 20 24  1  0  0  0  0
 21  9  1  0  0  0  0
 22  9  2  0  0  0  0
 23 10  1  0  0  0  0
 24 10  2  0  0  0  0
 25 22  1  0  0  0  0
 26 21  2  0  0  0  0
 27 25  2  0  0  0  0
  3  5  1  0  0  0  0
 27 26  1  0  0  0  0
 13 19  1  0  0  0  0
 16 18  2  0  0  0  0
M  END
>  <Mol_ID> (6,095)
6095

>  <Formula> (6,095)
C20H14ClFN4S

>  <MolWeight> (6,095)
396.8683632

>  <COMPOUND_NAME> (6,095)
WAY-604439

>  <BAR_CODE_NO> (6,095)
90438024

$$$$
WAY-604440
csChFnd80/06171916332D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.7328    0.8806    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3953    0.6431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3786   -0.0569    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3036    0.3181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7036   -0.2569    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4089    0.3223    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4714   -0.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9911    1.0181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8339   -0.8819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7672   -0.2819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1953    1.7681    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8172    0.3473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5411    1.5681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5339   -0.8569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4964   -1.5027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5714   -2.0819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8672   -2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9089   -1.4569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9339   -2.6819    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.2161    1.0598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5661    2.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6203    0.6848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9661    1.7181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  4  1  0  0  0  0
  7 10  1  0  0  0  0
  8  2  1  0  0  0  0
  9  7  1  0  0  0  0
 10  6  1  0  0  0  0
 11 21  2  0  0  0  0
 12  7  2  0  0  0  0
 13  1  1  0  0  0  0
 14  9  1  0  0  0  0
 15  9  2  0  0  0  0
 16 17  2  0  0  0  0
 17 15  1  0  0  0  0
 18 14  2  0  0  0  0
 19 16  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22  8  1  0  0  0  0
 23  8  2  0  0  0  0
  5  3  1  0  0  0  0
 20 11  1  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (6,096)
6096

>  <Formula> (6,096)
C16H13ClN4OS

>  <MolWeight> (6,096)
344.81862

>  <COMPOUND_NAME> (6,096)
WAY-604440

>  <BAR_CODE_NO> (6,096)
90438025

$$$$
WAY-604468
csChFnd80/06171916332D

 16 18  0  0  0  0  0  0  0  0999 V2000
    0.2667   -0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208    0.3458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208   -0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000   -0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0917   -0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5042    0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667    1.1458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0375   -1.7667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792    1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    1.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208   -1.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4333   -0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4333    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  1  2  0  0  0  0
  6  2  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
  9  3  2  0  0  0  0
 10  7  2  0  0  0  0
 11  8  1  0  0  0  0
 12 10  1  0  0  0  0
 13  4  1  0  0  0  0
 14  6  1  0  0  0  0
 15 13  2  0  0  0  0
 16 14  2  0  0  0  0
  4  6  2  0  0  0  0
 11 12  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (6,097)
6097

>  <Formula> (6,097)
C13H8O2S

>  <MolWeight> (6,097)
228.26642

>  <COMPOUND_NAME> (6,097)
WAY-604468

>  <BAR_CODE_NO> (6,097)
90438053

$$$$
WAY-604499
csChFnd80/06171916332D

 13 14  0  0  0  0  0  0  0  0999 V2000
    0.4952   -0.1491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4538   -0.8387    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8841   -0.3491    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8504    0.9716    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4193   -0.1491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8841    0.2923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0435    0.9716    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5055   -0.6249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9531   -0.2249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8151    1.4854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5400   -0.0353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6220   -1.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1496   -0.1422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  2  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 13  1  0  0  0  0
  5  7  2  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <Mol_ID> (6,098)
6098

>  <Formula> (6,098)
C8H11N3OS

>  <MolWeight> (6,098)
197.25744

>  <COMPOUND_NAME> (6,098)
WAY-604499

>  <BAR_CODE_NO> (6,098)
90438084

$$$$
WAY-604556
csChFnd80/06171916332D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -0.6458    0.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167   -0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1333   -0.3625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917   -0.4042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1792    0.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9000   -1.0750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1333    0.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208   -0.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9000    0.2583    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.6792   -0.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6792    0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917    1.0208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7000   -0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7000    0.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1875    0.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3542   -1.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  2  0  0  0  0
  7  1  2  0  0  0  0
  8  3  1  0  0  0  0
  9  7  1  0  0  0  0
 10  2  1  0  0  0  0
 11  6  1  0  0  0  0
 12 10  1  0  0  0  0
 13  5  2  0  0  0  0
 14  8  1  0  0  0  0
 15  9  1  0  0  0  0
 16 15  1  0  0  0  0
 17 11  1  0  0  0  0
  8  9  2  0  0  0  0
 16 14  1  0  0  0  0
 12 11  2  0  0  0  0
M  END
>  <Mol_ID> (6,099)
6099

>  <Formula> (6,099)
C12H12N2OS2

>  <MolWeight> (6,099)
264.36648

>  <COMPOUND_NAME> (6,099)
WAY-604556

>  <BAR_CODE_NO> (6,099)
90438142

$$$$
WAY-604595
csChFnd80/06171916332D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -1.5625   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5625   -1.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2750   -0.0542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9958   -1.2917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9958   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2750   -1.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833   -0.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833   -1.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7083   -0.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292   -0.8792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2750   -2.5292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1792    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9417   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2750    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7083   -1.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1792   -0.8792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0042    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0042    1.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4167    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1792    1.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4167    2.6875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0042    3.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  2  0  0  0  0
  9  2  1  0  0  0  0
 10  5  2  0  0  0  0
 11  8  1  0  0  0  0
 12  6  2  0  0  0  0
 13 15  1  0  0  0  0
 14 13  1  0  0  0  0
 15 11  1  0  0  0  0
 16  3  1  0  0  0  0
 17  4  1  0  0  0  0
 18 13  2  0  0  0  0
 19 14  2  0  0  0  0
 20 14  1  0  0  0  0
 21 23  1  0  0  0  0
 22 19  1  0  0  0  0
 23 20  2  0  0  0  0
 24 21  1  0  0  0  0
 25 24  1  0  0  0  0
  9  8  1  0  0  0  0
  4  6  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (6,100)
6100

>  <Formula> (6,100)
C16H16N4O4S

>  <MolWeight> (6,100)
360.38764

>  <COMPOUND_NAME> (6,100)
WAY-604595

>  <BAR_CODE_NO> (6,100)
90438185

$$$$
WAY-604596-A
csChFnd80/06171916332D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -1.0733    0.8082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0733    0.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4906    0.9875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5906    1.1082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4906    0.0289    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5906   -0.0918    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1526    0.5289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1112    0.8082    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5906    1.7289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1112    0.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5906   -0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4474    0.5530    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6319    1.1289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6526   -0.1125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7681    0.0496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3888    0.0668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7094   -0.4504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6888    0.5875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3094   -0.4332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4267   -0.9918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6267   -0.9504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7474   -1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3474   -1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6888   -2.0332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
 10 14  2  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 17 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
 23 24  1  0  0  0  0
  5  7  2  0  0  0  0
  8 10  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (6,101)
6101

>  <Formula> (6,101)
C16H16N4O3S

>  <MolWeight> (6,101)
344.38824

>  <COMPOUND_NAME> (6,101)
WAY-604596-A

>  <BAR_CODE_NO> (6,101)
90438186

$$$$
WAY-604603
csChFnd80/06171916332D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -2.4561   -0.3814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4561    0.4152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7802   -0.7814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1319   -0.7814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1078    0.4152    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1319    0.8152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1078   -0.3814    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7802   -1.7020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8078   -0.3814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1078   -0.5986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1078    1.4290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8078    0.4152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1871    0.0462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5957   -0.3814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5163   -0.3814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5957    0.5083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5163    0.4152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1922   -0.7814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1922    0.8152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8646   -0.3814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8646    0.4152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6336    1.2428    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
  5  7  1  0  0  0  0
  9 12  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (6,102)
6102

>  <Formula> (6,102)
C15H10ClNO4S

>  <MolWeight> (6,102)
335.7622

>  <COMPOUND_NAME> (6,102)
WAY-604603

>  <BAR_CODE_NO> (6,102)
90438193

$$$$
WAY-604612
csChFnd80/06171916332D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.2131    0.4790    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7179    0.3928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8200   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6476    1.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0972   -0.4210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2351    1.1307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6442    0.1894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5407    1.0825    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2718    2.0618    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0179   -0.5003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1455    1.0514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4580   -0.2520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5317    0.2376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2304    0.2169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4787   -1.1382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4386    0.1790    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0166   -0.2175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2683   -1.5693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7179   -0.6796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0338   -1.1072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1317   -1.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5903   -0.8589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
 10 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  2  0  0  0  0
  7  8  1  0  0  0  0
 11 13  2  0  0  0  0
 18 20  2  0  0  0  0
M  END
>  <Mol_ID> (6,103)
6103

>  <Formula> (6,103)
C17H15N3OS

>  <MolWeight> (6,103)
309.3855

>  <COMPOUND_NAME> (6,103)
WAY-604612

>  <BAR_CODE_NO> (6,103)
90438202

$$$$
WAY-604655
csChFnd80/06171916332D

 17 19  0  0  0  0  0  0  0  0999 V2000
    0.0667    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8917    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208    0.9333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208   -0.4042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042   -0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042    0.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000   -0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7167    1.6958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292   -0.5375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667   -1.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9125    1.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3000   -1.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9125   -0.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5792   -1.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6333   -0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6333    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  2  2  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  1  0  0  0  0
  9  6  3  0  0  0  0
 10  5  1  0  0  0  0
 11  5  1  0  0  0  0
 12  7  1  0  0  0  0
 13 10  1  0  0  0  0
 14  8  1  0  0  0  0
 15 11  1  0  0  0  0
 16 14  2  0  0  0  0
 17 12  2  0  0  0  0
  8  7  2  0  0  0  0
 16 17  1  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <Mol_ID> (6,104)
6104

>  <Formula> (6,104)
C13H11N3S

>  <MolWeight> (6,104)
241.31154

>  <COMPOUND_NAME> (6,104)
WAY-604655

>  <BAR_CODE_NO> (6,104)
90438246

$$$$
WAY-604662
csChFnd80/06171916332D

 24 28  0  0  0  0  0  0  0  0999 V2000
   -0.5583   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5583    0.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0292   -0.6917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1625   -0.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1625    0.9833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458    0.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7958    0.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3042   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5917   -0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792    0.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7625   -1.1125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5875   -1.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4375    0.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3125    0.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5917    0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6083    0.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    1.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333   -1.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5583   -1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5583    1.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9958    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9958   -0.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3 10  1  0  0  0  0
  4  1  2  0  0  0  0
  5  2  2  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9  4  1  0  0  0  0
 10 11  2  0  0  0  0
 11  9  1  0  0  0  0
 12  9  2  0  0  0  0
 13  3  2  0  0  0  0
 14  3  2  0  0  0  0
 15  3  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 18  8  1  0  0  0  0
 19  6  1  0  0  0  0
 20  7  2  0  0  0  0
 21 20  1  0  0  0  0
 22 19  2  0  0  0  0
 23 18  2  0  0  0  0
 24 21  2  0  0  0  0
  8  6  2  0  0  0  0
  5 12  1  0  0  0  0
 24 18  1  0  0  0  0
 23 22  1  0  0  0  0
 16 10  1  0  0  0  0
M  END
>  <Mol_ID> (6,105)
6105

>  <Formula> (6,105)
C18H11N3O2S

>  <MolWeight> (6,105)
333.36384

>  <COMPOUND_NAME> (6,105)
WAY-604662

>  <BAR_CODE_NO> (6,105)
90438253

$$$$
WAY-604663
csChFnd80/06171916332D

 26 29  0  0  0  0  0  0  0  0999 V2000
    3.1042   -0.6792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417   -0.6792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417    0.9708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4708   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4708    0.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9542   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6750   -0.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9542    0.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6917   -1.3917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8167   -1.0917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5167    0.0333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833    0.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833   -0.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792    0.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6750    0.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083    0.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833    1.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833   -1.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083    2.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6125   -0.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083   -1.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6125    0.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6125    1.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6125   -1.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  6  1  0  0  0  0
  3  9  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  2  0  0  0  0
  6  8  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  2  0  0  0  0
  9 16  1  0  0  0  0
 10  1  2  0  0  0  0
 11  1  2  0  0  0  0
 12  1  1  0  0  0  0
 13  5  1  0  0  0  0
 14  4  1  0  0  0  0
 15  7  1  0  0  0  0
 16 15  2  0  0  0  0
 17 13  2  0  0  0  0
 18 13  1  0  0  0  0
 19 14  1  0  0  0  0
 20 14  2  0  0  0  0
 21 18  2  0  0  0  0
 22 19  2  0  0  0  0
 23 20  1  0  0  0  0
 24 17  1  0  0  0  0
 25 21  1  0  0  0  0
 26 23  2  0  0  0  0
  9  6  2  0  0  0  0
  4  5  1  0  0  0  0
 26 22  1  0  0  0  0
 25 24  2  0  0  0  0
M  END
>  <Mol_ID> (6,106)
6106

>  <Formula> (6,106)
C20H15N3O2S

>  <MolWeight> (6,106)
361.417

>  <COMPOUND_NAME> (6,106)
WAY-604663

>  <BAR_CODE_NO> (6,106)
90438254

$$$$
WAY-604777
csChFnd80/06171916332D

 35 39  0  0  0  0  0  0  0  0999 V2000
    1.2292   -3.7375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708    4.2917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708    2.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833    3.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7500    4.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7500    3.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5667   -4.4917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8917   -2.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9875   -3.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792   -4.0667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3375    3.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333    2.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5250    1.3708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1875    2.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833    0.7833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2375   -6.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3792   -2.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0750   -2.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792   -5.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792   -4.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1083   -0.7167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6750    2.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7125    5.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2250   -1.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2583   -2.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0417   -1.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4708    4.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4708    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167   -5.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7250   -5.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2625    5.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1833    4.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1833    3.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3 12  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  2  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8  1  1  0  0  0  0
  9  1  2  0  0  0  0
 10  1  2  0  0  0  0
 11 23  2  0  0  0  0
 12 15  2  0  0  0  0
 13 25  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 13  2  0  0  0  0
 17 32  1  0  0  0  0
 18  8  2  0  0  0  0
 19  8  1  0  0  0  0
 20  7  1  0  0  0  0
 21  7  1  0  0  0  0
 22 26  1  0  0  0  0
 23 15  1  0  0  0  0
 24  2  1  0  0  0  0
 25 22  1  0  0  0  0
 26 27  1  0  0  0  0
 27 19  2  0  0  0  0
 28 18  1  0  0  0  0
 29  5  1  0  0  0  0
 30  6  1  0  0  0  0
 31 20  1  0  0  0  0
 32 21  1  0  0  0  0
 33 24  1  0  0  0  0
 34 35  1  0  0  0  0
 35 30  2  0  0  0  0
 26 28  2  0  0  0  0
 17 31  1  0  0  0  0
  4  3  2  0  0  0  0
  5  2  1  0  0  0  0
 34 29  2  0  0  0  0
M  END
>  <Mol_ID> (6,107)
6107

>  <Formula> (6,107)
C26H27N3O5S

>  <MolWeight> (6,107)
493.57468

>  <COMPOUND_NAME> (6,107)
WAY-604777

>  <BAR_CODE_NO> (6,107)
90438369

$$$$
WAY-604846
csChFnd80/06171916332D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -0.0958   -0.3917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542   -1.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333   -1.8417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542   -2.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583    0.3958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9417   -1.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9417   -2.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6875   -0.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833   -0.6417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583    1.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458    2.0458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458    2.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583    3.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0958   -3.2917    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  2  0  0  0  0
  7  6  1  0  0  0  0
  8  1  2  0  0  0  0
  9  1  2  0  0  0  0
 10 12  1  0  0  0  0
 11 10  1  0  0  0  0
 12  5  1  0  0  0  0
 13 10  2  0  0  0  0
 14 11  1  0  0  0  0
 15 13  1  0  0  0  0
 16  4  1  0  0  0  0
  7  4  2  0  0  0  0
 14 15  2  0  0  0  0
M  END
>  <Mol_ID> (6,108)
6108

>  <Formula> (6,108)
C9H8ClNO3S2

>  <MolWeight> (6,108)
277.74772

>  <COMPOUND_NAME> (6,108)
WAY-604846

>  <BAR_CODE_NO> (6,108)
90438439

$$$$
WAY-604914
csChFnd80/06171916332D

 34 38  0  0  0  0  0  0  0  0999 V2000
    1.4250   -0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8542    0.0375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1417    0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4250    0.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125   -1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1417   -1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8542   -0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2875   -0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5750   -1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333   -0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2875    0.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1458   -1.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0833   -1.0417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1417    1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083   -0.7875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0833    0.2958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8625   -0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5583   -0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125   -2.0250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333    0.0375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5750    0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4250    1.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8542    1.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208   -1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8625    0.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1417    2.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4250    2.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8542    2.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1417    3.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1417   -2.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5667   -1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4250    4.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8542   -2.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5667   -2.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  2  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  2  0  0  0  0
  8  9  1  0  0  0  0
  9 17  2  0  0  0  0
 10 24  1  0  0  0  0
 11 21  1  0  0  0  0
 12 10  1  0  0  0  0
 13  8  1  0  0  0  0
 14  3  1  0  0  0  0
 15  5  1  0  0  0  0
 16 11  1  0  0  0  0
 17 12  1  0  0  0  0
 18 13  1  0  0  0  0
 19  5  2  0  0  0  0
 20 10  2  0  0  0  0
 21 25  2  0  0  0  0
 22 14  1  0  0  0  0
 23 14  2  0  0  0  0
 24 15  1  0  0  0  0
 25 17  1  0  0  0  0
 26 28  2  0  0  0  0
 27 22  2  0  0  0  0
 28 23  1  0  0  0  0
 29 26  1  0  0  0  0
 30  6  1  0  0  0  0
 31  7  1  0  0  0  0
 32 29  1  0  0  0  0
 33 30  2  0  0  0  0
 34 33  1  0  0  0  0
  2  3  2  0  0  0  0
 34 31  2  0  0  0  0
 27 26  1  0  0  0  0
 11  8  2  0  0  0  0
 18 16  1  0  0  0  0
M  END
>  <Mol_ID> (6,109)
6109

>  <Formula> (6,109)
C26H20N2O6

>  <MolWeight> (6,109)
456.4468

>  <COMPOUND_NAME> (6,109)
WAY-604914

>  <BAR_CODE_NO> (6,109)
90438507

$$$$
WAY-604968
csChFnd80/06171916332D

 19 22  0  0  0  0  0  0  0  0999 V2000
   -0.0791   -1.0032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2692   -0.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5412   -0.5688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0791   -2.5929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6485   -1.0032    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5692    1.2209    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1170    0.8795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4170   -1.8688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5412   -3.0205    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2692   -3.3205    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6485   -2.5929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7485    0.0209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0830    1.3968    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5929    1.0968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1067    2.0588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2830   -0.2412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1584    2.5416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6791    3.4968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2067    3.7692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  2  0  0  0  0
 12 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  2  0  0  0  0
 12 13  2  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (6,110)
6110

>  <Formula> (6,110)
C14H10N4S

>  <MolWeight> (6,110)
266.321

>  <COMPOUND_NAME> (6,110)
WAY-604968

>  <BAR_CODE_NO> (6,110)
90438562

$$$$
WAY-604990
csChFnd80/06171916332D

 33 37  0  0  0  0  0  0  0  0999 V2000
    0.2917   -1.7167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208   -1.3042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208   -0.4792    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.0042   -2.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2917   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1333   -1.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2917    0.7583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1333   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7625   -1.7917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208   -2.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042   -1.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458   -1.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458   -0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042    1.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0917   -2.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042   -0.4792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167   -2.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9042   -3.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2917    2.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7250    0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7250    2.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5625   -1.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5625   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2917    3.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208    1.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4375    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4375    1.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2750   -0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2750   -1.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1333    2.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208    3.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1333    3.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  5  1  0  0  0  0
  8  3  1  0  0  0  0
  9  7  1  0  0  0  0
 10  4  1  0  0  0  0
 11  1  2  0  0  0  0
 12  1  2  0  0  0  0
 13  6  1  0  0  0  0
 14 13  2  0  0  0  0
 15  9  2  0  0  0  0
 16  4  2  0  0  0  0
 17  5  2  0  0  0  0
 18 10  1  0  0  0  0
 19 16  1  0  0  0  0
 20 15  1  0  0  0  0
 21  9  1  0  0  0  0
 22 15  1  0  0  0  0
 23 13  1  0  0  0  0
 24 14  1  0  0  0  0
 25 20  1  0  0  0  0
 26 20  2  0  0  0  0
 27 21  2  0  0  0  0
 28 27  1  0  0  0  0
 29 30  1  0  0  0  0
 30 23  2  0  0  0  0
 31 26  1  0  0  0  0
 32 25  2  0  0  0  0
 33 31  2  0  0  0  0
 18 19  2  0  0  0  0
 14  8  1  0  0  0  0
 24 29  2  0  0  0  0
 28 22  2  0  0  0  0
 33 32  1  0  0  0  0
M  END
>  <Mol_ID> (6,111)
6111

>  <Formula> (6,111)
C26H22N2O3S2

>  <MolWeight> (6,111)
474.59448

>  <COMPOUND_NAME> (6,111)
WAY-604990

>  <BAR_CODE_NO> (6,111)
90438585

$$$$
WAY-605030
csChFnd80/06171916332D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.9458    0.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333    0.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458   -0.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792    0.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792   -0.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333   -1.1792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2000    0.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2000   -1.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6583    0.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333    1.2958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9125    0.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3708    0.0583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9125   -0.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6583   -1.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6292   -1.1792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2000    1.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0875    0.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6583    1.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3417   -0.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0542   -1.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0875    1.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3708    1.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  6  1  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8  5  1  0  0  0  0
  9  1  1  0  0  0  0
 10  2  2  0  0  0  0
 11  7  2  0  0  0  0
 12  9  2  0  0  0  0
 13  8  2  0  0  0  0
 14  3  1  0  0  0  0
 15 13  1  0  0  0  0
 16  7  1  0  0  0  0
 17 12  1  0  0  0  0
 18  9  1  0  0  0  0
 19 15  1  0  0  0  0
 20 19  1  0  0  0  0
 21 22  1  0  0  0  0
 22 18  2  0  0  0  0
  5  4  2  0  0  0  0
 21 17  2  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <Mol_ID> (6,112)
6112

>  <Formula> (6,112)
C18H17NO3

>  <MolWeight> (6,112)
295.33248

>  <COMPOUND_NAME> (6,112)
WAY-605030

>  <BAR_CODE_NO> (6,112)
90438625

$$$$
WAY-605042
csChFnd80/06171916332D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -0.0375   -1.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1375   -2.6417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542    0.9625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583   -1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1958   -2.5042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833   -3.0542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0417    1.6333    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.2250    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8125    0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2250    2.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167   -1.2167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542    2.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2625   -0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6167    0.0083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8875   -2.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8667    1.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458    0.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6583    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6583    2.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  9  1  0  0  0  0
  4  1  2  0  0  0  0
  5  4  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  3  1  0  0  0  0
  9 13  1  0  0  0  0
 10  8  2  0  0  0  0
 11  1  1  0  0  0  0
 12  7  1  0  0  0  0
 13 11  1  0  0  0  0
 14  9  2  0  0  0  0
 15  2  1  0  0  0  0
 16  7  1  0  0  0  0
 17  8  1  0  0  0  0
 18 10  1  0  0  0  0
 19 17  2  0  0  0  0
 20 19  1  0  0  0  0
  6  5  2  0  0  0  0
 10 12  1  0  0  0  0
 20 18  2  0  0  0  0
M  END
>  <Mol_ID> (6,113)
6113

>  <Formula> (6,113)
C13H15N5OS

>  <MolWeight> (6,113)
289.3561

>  <COMPOUND_NAME> (6,113)
WAY-605042

>  <BAR_CODE_NO> (6,113)
90438637

$$$$
WAY-605103
csChFnd80/06171916332D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -1.4583    1.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1750    0.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458    1.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1750    1.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458    0.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4583   -0.1042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333    1.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333   -0.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1125   -1.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1125   -2.1667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792    0.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792    1.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000   -0.1042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8875   -0.1042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000   -0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8292   -0.9292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    1.5458    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.4583    2.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8875    1.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4417   -2.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7792   -2.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1750    2.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8875    2.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5250   -3.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7000   -3.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  2  0  0  0  0
  8  5  2  0  0  0  0
  9 15  1  0  0  0  0
 10  9  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
 13 11  1  0  0  0  0
 14  2  2  0  0  0  0
 15 13  1  0  0  0  0
 16  9  2  0  0  0  0
 17 12  1  0  0  0  0
 18  1  1  0  0  0  0
 19  4  1  0  0  0  0
 20 10  1  0  0  0  0
 21 10  1  0  0  0  0
 22 18  1  0  0  0  0
 23 22  1  0  0  0  0
 24 21  1  0  0  0  0
 25 20  1  0  0  0  0
 23 19  1  0  0  0  0
  5  6  1  0  0  0  0
 11  8  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (6,114)
6114

>  <Formula> (6,114)
C19H20ClNO4

>  <MolWeight> (6,114)
361.8194

>  <COMPOUND_NAME> (6,114)
WAY-605103

>  <BAR_CODE_NO> (6,114)
90438699

$$$$
WAY-605150
csChFnd80/06171916332D

 23 26  0  0  0  0  0  0  0  0999 V2000
    0.5750   -1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4958    1.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1708   -1.1292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292   -2.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1667   -1.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542   -1.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833    0.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4958    2.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2083    2.5375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292   -2.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667   -2.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167   -1.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2083    0.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6750    0.0958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542   -1.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6917   -2.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1417   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000    0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2083    3.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833    2.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4958    3.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833    3.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  8  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5 11  1  0  0  0  0
  6 13  1  0  0  0  0
  7 12  1  0  0  0  0
  8 19  1  0  0  0  0
  9  2  1  0  0  0  0
 10  9  2  0  0  0  0
 11  1  1  0  0  0  0
 12  1  1  0  0  0  0
 13  1  1  0  0  0  0
 14  2  2  0  0  0  0
 15  4  2  0  0  0  0
 16  7  1  0  0  0  0
 17  6  1  0  0  0  0
 18  6  1  0  0  0  0
 19  4  1  0  0  0  0
 20 10  1  0  0  0  0
 21  9  1  0  0  0  0
 22 23  1  0  0  0  0
 23 21  2  0  0  0  0
 18  5  1  0  0  0  0
  7 17  1  0  0  0  0
 16  5  1  0  0  0  0
 22 20  2  0  0  0  0
M  END
>  <Mol_ID> (6,115)
6115

>  <Formula> (6,115)
C18H22N2O3

>  <MolWeight> (6,115)
314.37888

>  <COMPOUND_NAME> (6,115)
WAY-605150

>  <BAR_CODE_NO> (6,115)
90438748

$$$$
WAY-605254-A
csChFnd80/06171916332D

 35 40  0  0  0  0  0  0  0  0999 V2000
    3.1917   -0.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7792    0.5375    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.5917   -1.4667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8750   -0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0792    1.3083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7625   -1.4417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5167   -0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9625    0.6083    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4542    1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7375   -0.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6500    1.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1917   -0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4750   -0.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542    1.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000    2.0708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1917    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6042   -2.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9000   -0.9667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5167    2.6875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7250    0.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9417    0.6750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1500    1.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4375    0.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1417    2.1208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9292    1.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8917    2.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6250   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6542    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7292    2.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7542    1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8250   -2.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2167   -2.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0417   -3.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -3.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542   -3.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  2  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  7  1  0  0  0  0
  7  1  2  0  0  0  0
  8  2  1  0  0  0  0
  9  5  1  0  0  0  0
 10  4  1  0  0  0  0
 11  5  1  0  0  0  0
 12 13  1  0  0  0  0
 13 10  2  0  0  0  0
 14  8  1  0  0  0  0
 15 22  1  0  0  0  0
 16 23  1  0  0  0  0
 17  6  1  0  0  0  0
 18 12  1  0  0  0  0
 19  9  2  0  0  0  0
 20 10  1  0  0  0  0
 21 16  1  0  0  0  0
 22 11  1  0  0  0  0
 23 20  2  0  0  0  0
 24 30  1  0  0  0  0
 25 15  1  0  0  0  0
 26 15  1  0  0  0  0
 27 18  1  0  0  0  0
 28 21  1  0  0  0  0
 29 26  1  0  0  0  0
 30 25  1  0  0  0  0
 31 17  1  0  0  0  0
 32 17  2  0  0  0  0
 33 32  1  0  0  0  0
 34 31  2  0  0  0  0
 35 34  1  0  0  0  0
  3  6  1  0  0  0  0
 14  9  1  0  0  0  0
 16 12  2  0  0  0  0
 33 35  2  0  0  0  0
 27 28  1  0  0  0  0
 29 24  1  0  0  0  0
M  END
>  <Mol_ID> (6,116)
6116

>  <Formula> (6,116)
C26H28N4O4S

>  <MolWeight> (6,116)
492.58992

>  <COMPOUND_NAME> (6,116)
WAY-605254-A

>  <BAR_CODE_NO> (6,116)
90438857

$$$$
WAY-605337
csChFnd80/06171916332D

 34 38  0  0  0  0  0  0  0  0999 V2000
   -0.5958    1.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5958    3.4458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8375   -3.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1250    3.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8375   -3.1542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8375   -1.5042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1250    2.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5958    0.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1250   -4.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8375   -0.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8375    3.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3083    2.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3083    3.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0375   -5.2042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9250    4.2625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1250    0.5583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5542   -2.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1250   -2.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5542   -1.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1250   -1.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5542   -4.3917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1250   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333   -4.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5917    3.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3083    0.5583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5542   -0.2667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7708   -5.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292    4.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1417    3.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833   -4.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0208    1.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0208    3.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7333    2.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7333    3.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 13  2  0  0  0  0
  3  5  1  0  0  0  0
  4  7  2  0  0  0  0
  5 18  1  0  0  0  0
  6 10  1  0  0  0  0
  7  1  1  0  0  0  0
  8  1  1  0  0  0  0
  9  3  1  0  0  0  0
 10 22  1  0  0  0  0
 11  4  1  0  0  0  0
 12  1  2  0  0  0  0
 13 12  1  0  0  0  0
 14  9  1  0  0  0  0
 15 11  1  0  0  0  0
 16  8  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19  6  1  0  0  0  0
 20  6  1  0  0  0  0
 21  3  2  0  0  0  0
 22 16  1  0  0  0  0
 23  9  2  0  0  0  0
 24 11  2  0  0  0  0
 25  8  2  0  0  0  0
 26 10  2  0  0  0  0
 27 14  1  0  0  0  0
 28 15  1  0  0  0  0
 29 24  1  0  0  0  0
 30 23  1  0  0  0  0
 31 12  1  0  0  0  0
 32 13  1  0  0  0  0
 33 31  2  0  0  0  0
 34 33  1  0  0  0  0
  2  4  1  0  0  0  0
 34 32  2  0  0  0  0
 28 29  2  0  0  0  0
  5 17  1  0  0  0  0
 27 30  2  0  0  0  0
M  END
>  <Mol_ID> (6,117)
6117

>  <Formula> (6,117)
C25H21N3O6

>  <MolWeight> (6,117)
459.45074

>  <COMPOUND_NAME> (6,117)
WAY-605337

>  <BAR_CODE_NO> (6,117)
90438940

$$$$
WAY-605425
csChFnd80/06171916332D

 30 33  0  0  0  0  0  0  0  0999 V2000
    0.4042   -0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042   -1.3042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8292   -1.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167   -1.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8292   -0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5417   -1.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2625   -1.3042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3125   -0.0667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458    0.7583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167    0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2625   -0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167    1.5833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4583    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5417   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0250   -0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3125    0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0250    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167   -2.5417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5417   -2.5417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1708    0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9750   -0.0667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1708   -0.0667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4583    1.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8833    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9750    0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8833   -0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1708    2.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8833    1.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  6  1  0  0  0  0
  5  2  2  0  0  0  0
  6  3  1  0  0  0  0
  7  4  2  0  0  0  0
  8 12  2  0  0  0  0
  9  1  1  0  0  0  0
 10 18  1  0  0  0  0
 11  3  1  0  0  0  0
 12 15  1  0  0  0  0
 13 11  3  0  0  0  0
 14 10  1  0  0  0  0
 15  6  2  0  0  0  0
 16  9  1  0  0  0  0
 17  9  1  0  0  0  0
 18 17  1  0  0  0  0
 19 16  1  0  0  0  0
 20  5  1  0  0  0  0
 21  7  1  0  0  0  0
 22 14  2  0  0  0  0
 23 12  1  0  0  0  0
 24 22  1  0  0  0  0
 25 14  1  0  0  0  0
 26 22  1  0  0  0  0
 27 23  1  0  0  0  0
 28 24  1  0  0  0  0
 29 25  2  0  0  0  0
 30 29  1  0  0  0  0
  4  5  1  0  0  0  0
 10 19  1  0  0  0  0
  7  8  1  0  0  0  0
 30 26  2  0  0  0  0
M  END
>  <Mol_ID> (6,118)
6118

>  <Formula> (6,118)
C21H23N7O2

>  <MolWeight> (6,118)
405.45302

>  <COMPOUND_NAME> (6,118)
WAY-605425

>  <BAR_CODE_NO> (6,118)
90439029

$$$$
WAY-605462
csChFnd80/06171916332D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -0.1958   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917    0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958    1.1083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917    0.0250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6833    0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458   -1.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542    1.3333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083    0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2583   -1.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042   -1.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5917    2.3083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1750    2.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6792    1.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8417    2.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208    1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1500   -2.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9125   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7458    1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000   -3.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4625   -2.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7458   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042   -2.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  6  2  0  0  0  0
 10  6  1  0  0  0  0
 11 14  1  0  0  0  0
 12  7  1  0  0  0  0
 13  7  1  0  0  0  0
 14 13  1  0  0  0  0
 15 12  1  0  0  0  0
 16  8  2  0  0  0  0
 17  8  1  0  0  0  0
 18 10  1  0  0  0  0
 19 10  2  0  0  0  0
 20 17  2  0  0  0  0
 21 18  2  0  0  0  0
 22 19  1  0  0  0  0
 23 16  1  0  0  0  0
 24 20  1  0  0  0  0
 25 22  2  0  0  0  0
  3  2  2  0  0  0  0
 25 21  1  0  0  0  0
 24 23  2  0  0  0  0
 11 15  1  0  0  0  0
M  END
>  <Mol_ID> (6,119)
6119

>  <Formula> (6,119)
C20H18N2O2S

>  <MolWeight> (6,119)
350.43412

>  <COMPOUND_NAME> (6,119)
WAY-605462

>  <BAR_CODE_NO> (6,119)
90439066

$$$$
WAY-605471
csChFnd80/06171916332D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -0.0248    0.5219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1123    0.1302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4290   -0.0698    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0835   -0.0823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8377   -0.0573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1290    0.8427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6877    0.5469    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4623    1.0802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6873   -0.2948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3002   -0.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2585    0.5677    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.9835    0.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7377   -0.7531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0002   -0.3823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6040   -1.0031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3415   -0.0198    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7123    1.2427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0877   -1.3698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9123   -0.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5623   -0.1656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  7  1  0  0  0  0
  5  4  1  0  0  0  0
  6  8  1  0  0  0  0
  7  1  1  0  0  0  0
  8  1  2  0  0  0  0
  9  2  1  0  0  0  0
 10  5  2  0  0  0  0
 11  5  1  0  0  0  0
 12 11  1  0  0  0  0
 13  4  2  0  0  0  0
 14 10  1  0  0  0  0
 15  9  2  0  0  0  0
 16  9  1  0  0  0  0
 17  6  1  0  0  0  0
 18 10  1  0  0  0  0
 19 16  1  0  0  0  0
 20 19  1  0  0  0  0
  2  6  2  0  0  0  0
 14 12  2  0  0  0  0
M  END
>  <Mol_ID> (6,120)
6120

>  <Formula> (6,120)
C14H15NO3S2

>  <MolWeight> (6,120)
309.4038

>  <COMPOUND_NAME> (6,120)
WAY-605471

>  <BAR_CODE_NO> (6,120)
90439075

$$$$
WAY-605632
csChFnd80/06171916332D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -0.6375   -1.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208   -1.9167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1417   -1.5042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8958   -0.4625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1417   -2.3292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3458    0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6375   -2.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5958    0.9333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667   -0.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458    1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0625    2.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6125    3.3958    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000    2.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7625    1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167    1.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542    2.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8958   -3.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3458   -3.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9  6  2  0  0  0  0
 10  8  1  0  0  0  0
 11 15  1  0  0  0  0
 12 11  1  0  0  0  0
 13 10  2  0  0  0  0
 14 10  1  0  0  0  0
 15 14  2  0  0  0  0
 16 13  1  0  0  0  0
 17  7  1  0  0  0  0
 18 17  1  0  0  0  0
  5  7  2  0  0  0  0
 11 16  2  0  0  0  0
M  END
>  <Mol_ID> (6,121)
6121

>  <Formula> (6,121)
C11H11ClN4OS

>  <MolWeight> (6,121)
282.74924

>  <COMPOUND_NAME> (6,121)
WAY-605632

>  <BAR_CODE_NO> (6,121)
90439239

$$$$
WAY-605650
csChFnd80/06171916332D

 24 26  0  0  0  0  0  0  0  0999 V2000
    0.3250   -0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0375    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2458    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958    0.0708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542    0.4833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2458    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0333   -0.1792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0333    1.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5208    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5333   -0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3250   -1.1667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5333    1.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4667    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8208    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083   -0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8917   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8208    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6125   -1.1667    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.1792    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4667   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1792   -1.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8917    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4500   -0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6250    0.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3 10  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6 12  1  0  0  0  0
  7  3  1  0  0  0  0
  8  6  1  0  0  0  0
  9  7  1  0  0  0  0
 10 14  2  0  0  0  0
 11  1  2  0  0  0  0
 12 17  2  0  0  0  0
 13  5  1  0  0  0  0
 14 15  1  0  0  0  0
 15  4  1  0  0  0  0
 16 21  1  0  0  0  0
 17 14  1  0  0  0  0
 18 16  1  0  0  0  0
 19 13  2  0  0  0  0
 20 13  1  0  0  0  0
 21 20  2  0  0  0  0
 22 19  1  0  0  0  0
 23  2  1  0  0  0  0
 24  2  1  0  0  0  0
 16 22  2  0  0  0  0
  6  3  2  0  0  0  0
  9  8  1  0  0  0  0
M  END
>  <Mol_ID> (6,122)
6122

>  <Formula> (6,122)
C18H18ClNO4

>  <MolWeight> (6,122)
347.79282

>  <COMPOUND_NAME> (6,122)
WAY-605650

>  <BAR_CODE_NO> (6,122)
90439257

$$$$
WAY-605849
csChFnd80/06171916332D

 23 26  0  0  0  0  0  0  0  0999 V2000
    0.3167   -0.8125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167   -1.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958   -0.4000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.1083   -0.8125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958   -2.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042   -1.8917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083   -1.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8208    2.0833    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.1042   -0.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5917   -1.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958    0.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083    1.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083    0.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8208    2.9000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.5375    1.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8208   -2.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167    0.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4417    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4125   -1.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167    1.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542    0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7417   -0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  2  2  0  0  0  0
  7  4  2  0  0  0  0
  8 12  1  0  0  0  0
  9  1  1  0  0  0  0
 10  9  2  0  0  0  0
 11  3  1  0  0  0  0
 12 13  1  0  0  0  0
 13 11  2  0  0  0  0
 14  8  1  0  0  0  0
 15  8  2  0  0  0  0
 16  7  1  0  0  0  0
 17 11  1  0  0  0  0
 18  9  1  0  0  0  0
 19 10  1  0  0  0  0
 20 21  1  0  0  0  0
 21 17  2  0  0  0  0
 22 18  2  0  0  0  0
 23 22  1  0  0  0  0
 10  6  1  0  0  0  0
  7  5  1  0  0  0  0
 23 19  2  0  0  0  0
 20 12  2  0  0  0  0
M  END
>  <Mol_ID> (6,123)
6123

>  <Formula> (6,123)
C15H12N6O2

>  <MolWeight> (6,123)
308.29478

>  <COMPOUND_NAME> (6,123)
WAY-605849

>  <BAR_CODE_NO> (6,123)
90439458

$$$$
WAY-636782
csChFnd80/06171916332D

 27 30  0  0  0  0  0  0  0  0999 V2000
    0.5542   -0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542   -1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542   -2.7625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667    0.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1625   -1.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1625   -2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667   -2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667    0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667   -1.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542    1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1625    0.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1625    0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9792   -2.7625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8750    1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8750   -1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8750   -2.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9792    1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542    2.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958    0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8750    2.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958   -1.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958   -2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667    2.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9792    2.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958    2.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3083    1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3083    2.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  7  2  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  5  2  0  0  0  0
  7  9  1  0  0  0  0
  8  4  1  0  0  0  0
  9  2  2  0  0  0  0
 10  8  2  0  0  0  0
 11  1  2  0  0  0  0
 12 10  1  0  0  0  0
 13  7  1  0  0  0  0
 14 12  1  0  0  0  0
 15  5  1  0  0  0  0
 16  6  1  0  0  0  0
 17  8  1  0  0  0  0
 18 10  1  0  0  0  0
 19 14  2  0  0  0  0
 20 14  1  0  0  0  0
 21 15  2  0  0  0  0
 22 21  1  0  0  0  0
 23 24  1  0  0  0  0
 24 17  2  0  0  0  0
 25 20  2  0  0  0  0
 26 19  1  0  0  0  0
 27 25  1  0  0  0  0
  3  6  1  0  0  0  0
 23 18  2  0  0  0  0
 22 16  2  0  0  0  0
 27 26  2  0  0  0  0
M  END
>  <Mol_ID> (6,124)
6124

>  <Formula> (6,124)
C23H18N2O2

>  <MolWeight> (6,124)
354.40122

>  <COMPOUND_NAME> (6,124)
WAY-636782

>  <BAR_CODE_NO> (6,124)
90471269

$$$$
WAY-636833
csChFnd80/06171916332D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.2833    0.4583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000   -0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000    1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792    0.8708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792    0.0458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583   -0.9917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583    1.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917   -1.6042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.1083    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917    2.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8625    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417   -2.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5708    3.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417    3.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208    2.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8208    4.2542    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.3042   -1.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5708   -2.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917   -3.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5375   -3.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8208   -3.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708   -3.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  2  2  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  6  1  0  0  0  0
  9  1  1  0  0  0  0
 10  7  1  0  0  0  0
 11  7  2  0  0  0  0
 12  8  1  0  0  0  0
 13 15  2  0  0  0  0
 14 10  2  0  0  0  0
 15 11  1  0  0  0  0
 16 13  1  0  0  0  0
 17  8  1  0  0  0  0
 18 12  1  0  0  0  0
 19 12  2  0  0  0  0
 20 19  1  0  0  0  0
 21 18  2  0  0  0  0
 22 20  2  0  0  0  0
  4  5  1  0  0  0  0
 13 14  1  0  0  0  0
 22 21  1  0  0  0  0
M  END
>  <Mol_ID> (6,125)
6125

>  <Formula> (6,125)
C17H16ClN3S

>  <MolWeight> (6,125)
329.84704

>  <COMPOUND_NAME> (6,125)
WAY-636833

>  <BAR_CODE_NO> (6,125)
90471320

$$$$
WAY-636839
csChFnd80/06171916332D

 21 24  0  0  0  0  0  0  0  0999 V2000
    0.0167    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0375   -2.2167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5500   -1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5583   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292   -1.8042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292   -2.6292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5750    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000    1.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000    1.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8042    0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -0.7792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667    1.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167    2.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292    2.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2375   -0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708    0.8125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8083   -3.6667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9500    2.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1750    2.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2250    1.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2583   -4.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3 11  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  2  0  0  0  0
  6  5  1  0  0  0  0
  7  1  1  0  0  0  0
  8  1  1  0  0  0  0
  9  1  1  0  0  0  0
 10  1  1  0  0  0  0
 11 15  1  0  0  0  0
 12 10  1  0  0  0  0
 13  9  1  0  0  0  0
 14  8  1  0  0  0  0
 15  7  1  0  0  0  0
 16  7  2  0  0  0  0
 17  4  1  0  0  0  0
 18 13  1  0  0  0  0
 19 12  1  0  0  0  0
 20 12  1  0  0  0  0
 21 17  1  0  0  0  0
 20 14  1  0  0  0  0
 19 13  1  0  0  0  0
 14 18  1  0  0  0  0
  6  4  2  0  0  0  0
M  END
>  <Mol_ID> (6,126)
6126

>  <Formula> (6,126)
C15H20N2OS3

>  <MolWeight> (6,126)
340.5271

>  <COMPOUND_NAME> (6,126)
WAY-636839

>  <BAR_CODE_NO> (6,126)
90471326

$$$$
WAY-636900
csChFnd80/06171916332D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -1.9125    2.0458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9125    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542   -1.6667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4125   -1.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7417   -2.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000    0.8083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9667   -1.9417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6958    0.9625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833    2.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5542   -2.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6958    2.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1833    1.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9417   -1.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9417   -0.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5792   -0.5250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000    3.2833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1292   -3.0417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542   -0.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292   -0.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292    0.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6500   -3.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0917   -3.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0333    3.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0083    1.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4042   -3.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9042   -3.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8583    3.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3458    2.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3 15  1  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  2  2  0  0  0  0
  8  4  1  0  0  0  0
  9  2  1  0  0  0  0
 10  5  1  0  0  0  0
 11  6  1  0  0  0  0
 12  1  1  0  0  0  0
 13 10  2  0  0  0  0
 14 12  2  0  0  0  0
 15 16  1  0  0  0  0
 16 21  1  0  0  0  0
 17  4  2  0  0  0  0
 18  5  2  0  0  0  0
 19  6  2  0  0  0  0
 20 16  2  0  0  0  0
 21 22  1  0  0  0  0
 22 13  1  0  0  0  0
 23 11  1  0  0  0  0
 24 11  1  0  0  0  0
 25 12  1  0  0  0  0
 26 14  1  0  0  0  0
 27 23  1  0  0  0  0
 28 24  1  0  0  0  0
 29 25  2  0  0  0  0
 30 29  1  0  0  0  0
  9 14  1  0  0  0  0
 13  7  1  0  0  0  0
 30 26  2  0  0  0  0
  8 11  1  0  0  0  0
M  END
>  <Mol_ID> (6,127)
6127

>  <Formula> (6,127)
C20H20N4O5S

>  <MolWeight> (6,127)
428.4616

>  <COMPOUND_NAME> (6,127)
WAY-636900

>  <BAR_CODE_NO> (6,127)
90471388

$$$$
WAY-636982
csChFnd80/06171916332D

 16 17  0  0  0  0  0  0  0  0999 V2000
    1.4728   -0.0442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2107    0.9178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9625   -1.5339    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8521   -0.8339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4625    1.5558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0893   -0.0028    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2418    2.5075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6375   -1.4925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2314   -0.0339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8418    2.3558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6168    0.5075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6272   -2.7442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2314    1.5661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7893   -0.5511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2893   -0.0615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4582   -2.1132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  8 12  2  0  0  0  0
  9 13  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
  6  8  1  0  0  0  0
 10 13  1  0  0  0  0
M  END
>  <Mol_ID> (6,128)
6128

>  <Formula> (6,128)
C10H14N2O4

>  <MolWeight> (6,128)
226.22916

>  <COMPOUND_NAME> (6,128)
WAY-636982

>  <BAR_CODE_NO> (6,128)
90471471

$$$$
WAY-637017
csChFnd80/06171916332D

 25 28  0  0  0  0  0  0  0  0999 V2000
    0.6167   -0.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042   -1.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8333   -0.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667    1.1750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208   -2.0792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9750    1.2125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0292    1.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042    1.9833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8333   -1.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167   -0.1917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5333   -0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1417    0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167   -1.9125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5500   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    2.7583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2458   -0.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2625   -1.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8583   -0.2625    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958    0.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4375    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0250    1.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458    1.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5 12  1  0  0  0  0
  6  5  1  0  0  0  0
  7  3  1  0  0  0  0
  8  5  2  0  0  0  0
  9  6  1  0  0  0  0
 10  8  1  0  0  0  0
 11  7  1  0  0  0  0
 12  1  1  0  0  0  0
 13  4  1  0  0  0  0
 14  2  1  0  0  0  0
 15  3  2  0  0  0  0
 16 11  1  0  0  0  0
 17  9  1  0  0  0  0
 18 13  2  0  0  0  0
 19 16  2  0  0  0  0
 20 18  1  0  0  0  0
 21 14  2  0  0  0  0
 22 14  1  0  0  0  0
 23 22  2  0  0  0  0
 24 21  1  0  0  0  0
 25 23  1  0  0  0  0
 11  4  2  0  0  0  0
 10  9  2  0  0  0  0
 19 18  1  0  0  0  0
 25 24  2  0  0  0  0
M  END
>  <Mol_ID> (6,129)
6129

>  <Formula> (6,129)
C17H11ClN4OS2

>  <MolWeight> (6,129)
386.87844

>  <COMPOUND_NAME> (6,129)
WAY-637017

>  <BAR_CODE_NO> (6,129)
90471510

$$$$
WAY-637061
csChFnd80/06171916332D

 24 26  0  0  0  0  0  0  0  0999 V2000
    2.2167   -0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9542   -0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4375   -1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4375   -0.0667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2167   -1.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292   -0.7292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958   -0.6792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3833    0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3833   -0.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958    0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8917    0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0958    0.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292    0.6958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0958   -0.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6417   -0.1667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8042    0.9875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8083   -0.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8083    0.3958    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.8917   -1.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4667    1.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5208    0.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3792    2.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4 10  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  2  0  0  0  0
  7  2  1  0  0  0  0
  8  4  1  0  0  0  0
  9 12  1  0  0  0  0
 10  7  1  0  0  0  0
 11  8  1  0  0  0  0
 12  4  2  0  0  0  0
 13  1  1  0  0  0  0
 14  9  1  0  0  0  0
 15 10  2  0  0  0  0
 16 11  1  0  0  0  0
 17 13  2  0  0  0  0
 18 13  1  0  0  0  0
 19 16  1  0  0  0  0
 20 14  1  0  0  0  0
 21  6  1  0  0  0  0
 22 18  1  0  0  0  0
 23 20  1  0  0  0  0
 24 22  1  0  0  0  0
  3  2  2  0  0  0  0
 11  9  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (6,130)
6130

>  <Formula> (6,130)
C17H20N2O3S2

>  <MolWeight> (6,130)
364.4823

>  <COMPOUND_NAME> (6,130)
WAY-637061

>  <BAR_CODE_NO> (6,130)
90471554

$$$$
WAY-637081
csChFnd80/06171916332D

 24 27  0  0  0  0  0  0  0  0999 V2000
    0.8250   -1.5917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2583   -0.8125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792   -0.8125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -0.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1250    1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8417    2.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4875   -2.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1250    3.3958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8417    2.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1250    0.9125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    2.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3083   -2.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1500   -3.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4583   -3.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7958   -2.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333   -3.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9458   -4.2667    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083    1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083    3.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208    2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208    2.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  7  2  0  0  0  0
  7 12  1  0  0  0  0
  8  7  1  0  0  0  0
  9  2  1  0  0  0  0
 10 11  1  0  0  0  0
 11  8  2  0  0  0  0
 12 14  1  0  0  0  0
 13  6  1  0  0  0  0
 14  5  1  0  0  0  0
 15  9  2  0  0  0  0
 16  9  1  0  0  0  0
 17 19  1  0  0  0  0
 18 15  1  0  0  0  0
 19 16  2  0  0  0  0
 20 17  1  0  0  0  0
 21  6  1  0  0  0  0
 22 13  1  0  0  0  0
 23 21  2  0  0  0  0
 24 23  1  0  0  0  0
  3  5  1  0  0  0  0
 17 18  2  0  0  0  0
 10 13  2  0  0  0  0
 24 22  2  0  0  0  0
M  END
>  <Mol_ID> (6,131)
6131

>  <Formula> (6,131)
C17H11ClN4O2

>  <MolWeight> (6,131)
338.74784

>  <COMPOUND_NAME> (6,131)
WAY-637081

>  <BAR_CODE_NO> (6,131)
90471574

$$$$
WAY-637184-A
csChFnd80/06171916332D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -0.2125   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9250   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9250   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2125   -2.4750    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.5042   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9292   -4.5375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9292   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2125   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6458   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6458   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6417   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3583   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3583   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  2  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7 11  1  0  0  0  0
  8  2  1  0  0  0  0
  9  2  1  0  0  0  0
 10  8  1  0  0  0  0
 11  9  1  0  0  0  0
 12  5  1  0  0  0  0
 13  3  1  0  0  0  0
 14  4  1  0  0  0  0
 15  7  1  0  0  0  0
 16 17  1  0  0  0  0
 17 14  2  0  0  0  0
  5  6  1  0  0  0  0
  7 10  1  0  0  0  0
 16 13  2  0  0  0  0
M  END
>  <Mol_ID> (6,132)
6132

>  <Formula> (6,132)
C14H20N2O

>  <MolWeight> (6,132)
232.3214

>  <COMPOUND_NAME> (6,132)
WAY-637184-A

>  <BAR_CODE_NO> (6,132)
90471678

$$$$
WAY-637193
csChFnd80/06171916332D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -0.4333    0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000    0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792    1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  2  1  0  0  0  0
  7  2  2  0  0  0  0
  8  1  1  0  0  0  0
  9  3  1  0  0  0  0
 10  6  1  0  0  0  0
  5  6  2  0  0  0  0
M  END
>  <Mol_ID> (6,133)
6133

>  <Formula> (6,133)
C4H7N5O

>  <MolWeight> (6,133)
141.13128

>  <COMPOUND_NAME> (6,133)
WAY-637193

>  <BAR_CODE_NO> (6,133)
90471687

$$$$
WAY-637195
csChFnd80/06171916332D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -0.7208   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4250    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  2  1  0  0  0  0
  7  2  2  0  0  0  0
  8  1  1  0  0  0  0
  9 13  1  0  0  0  0
 10  6  1  0  0  0  0
 11  3  1  0  0  0  0
 12  9  2  0  0  0  0
 13 10  1  0  0  0  0
 14  9  1  0  0  0  0
  6  5  2  0  0  0  0
M  END
>  <Mol_ID> (6,134)
6134

>  <Formula> (6,134)
C6H9N5O3

>  <MolWeight> (6,134)
199.16736

>  <COMPOUND_NAME> (6,134)
WAY-637195

>  <BAR_CODE_NO> (6,134)
90471689

$$$$
WAY-637196
csChFnd80/06171916332D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -0.8375   -0.9167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2250    0.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2875   -1.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7750   -0.5750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167   -1.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792    0.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083    1.4875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1333    0.4833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6458   -1.0917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2625    1.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792    2.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458   -2.3167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2625    1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  6  1  0  0  0  0
  6  4  2  0  0  0  0
  7  3  1  0  0  0  0
  8  7  1  0  0  0  0
  9  2  2  0  0  0  0
 10  1  1  0  0  0  0
 11  7  2  0  0  0  0
 12  8  1  0  0  0  0
 13  4  1  0  0  0  0
 14 11  1  0  0  0  0
  3  5  2  0  0  0  0
 12 14  2  0  0  0  0
M  END
>  <Mol_ID> (6,135)
6135

>  <Formula> (6,135)
C7H7N5OS

>  <MolWeight> (6,135)
209.22838

>  <COMPOUND_NAME> (6,135)
WAY-637196

>  <BAR_CODE_NO> (6,135)
90471690

$$$$
WAY-637221-A
csChFnd80/06171916332D

 14 15  0  0  0  0  0  0  0  0999 V2000
    2.6667    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4125    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4542    1.5333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9667   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1792    1.9458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4542    2.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6667    2.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7667    0.0583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7042   -0.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9042   -1.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2625   -1.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0042   -2.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917   -2.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  5  1  0  0  0  0
  8  4  2  0  0  0  0
  9  4  1  0  0  0  0
 10  9  1  0  0  0  0
 11  9  2  0  0  0  0
 12 11  1  0  0  0  0
 13 10  2  0  0  0  0
 14 13  1  0  0  0  0
  7  6  2  0  0  0  0
 12 14  2  0  0  0  0
M  END
>  <Mol_ID> (6,136)
6136

>  <Formula> (6,136)
C11H10N2O

>  <MolWeight> (6,136)
186.2099

>  <COMPOUND_NAME> (6,136)
WAY-637221-A

>  <BAR_CODE_NO> (6,136)
90471716

$$$$
WAY-637570
csChFnd80/06171916332D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -0.8708    0.8958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6208    0.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417   -0.8417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917   -0.0625    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2542   -1.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6583    1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3875    1.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708   -0.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6583    1.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042   -0.4042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5042   -1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708    2.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7417    0.5583    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.3708    0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3708    2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3125   -1.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9542   -2.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4875    1.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5500    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0833    1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0417    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0833    1.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042   -3.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5667   -2.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167   -3.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  4  3  1  6  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  2  0  0  0  0
  9  6  2  0  0  0  0
 10  5  2  0  0  0  0
 11  5  1  0  0  0  0
 12  7  1  0  0  0  0
 13  4  1  0  0  0  0
 14  6  1  0  0  0  0
 15  9  1  0  0  0  0
 16 11  2  0  0  0  0
 17 11  1  0  0  0  0
 18 13  1  0  0  0  0
 13 19  1  6  0  0  0
 20 14  2  0  0  0  0
 21 18  1  0  0  0  0
 22 20  1  0  0  0  0
 23 17  2  0  0  0  0
 24 16  1  0  0  0  0
 25 23  1  0  0  0  0
  9 12  1  0  0  0  0
 22 15  2  0  0  0  0
 25 24  2  0  0  0  0
M  END
>  <Mol_ID> (6,137)
6137

>  <Formula> (6,137)
C21H24N2O2

>  <MolWeight> (6,137)
336.42746

>  <COMPOUND_NAME> (6,137)
WAY-637570

>  <BAR_CODE_NO> (6,137)
90472068

$$$$
WAY-637574
csChFnd80/06171916332D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -0.5000    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9833    0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9833    1.6708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4750   -2.3292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417   -1.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2917   -2.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542   -1.0250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4667   -1.4375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7708    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7708    1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7333   -0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292   -1.4042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3250    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792   -0.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2833   -1.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8500   -2.8542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4833    0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4833    1.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7375    1.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7375    0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1958    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1958    1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5625    0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5625    1.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9750    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5 12  1  0  0  0  0
  6  4  1  0  0  0  0
  7  5  2  0  0  0  0
  8  7  1  0  0  0  0
  9  2  1  0  0  0  0
 10  3  1  0  0  0  0
 11  2  1  0  0  0  0
 12 14  1  0  0  0  0
 13  1  1  0  0  0  0
 14 11  1  0  0  0  0
 15 11  2  0  0  0  0
 16  6  1  0  0  0  0
 17  9  1  0  0  0  0
 18 10  1  0  0  0  0
 19 13  2  0  0  0  0
 20 13  1  0  0  0  0
 21 17  2  0  0  0  0
 22 18  2  0  0  0  0
 23 20  2  0  0  0  0
 24 19  1  0  0  0  0
 25 23  1  0  0  0  0
  9 10  2  0  0  0  0
 25 24  2  0  0  0  0
 21 22  1  0  0  0  0
  8  6  2  0  0  0  0
M  END
>  <Mol_ID> (6,138)
6138

>  <Formula> (6,138)
C18H14N4OS2

>  <MolWeight> (6,138)
366.45996

>  <COMPOUND_NAME> (6,138)
WAY-637574

>  <BAR_CODE_NO> (6,138)
90472072

$$$$
WAY-637658
csChFnd80/06171916332D

 25 28  0  0  0  0  0  0  0  0999 V2000
    1.3667   -1.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8542   -0.7417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0083    1.4875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8542   -2.0792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417   -1.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1625    0.8208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3458    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6375   -1.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6375   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6208    2.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3333    1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292   -0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3542   -2.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417    0.0208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3542   -0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0667   -1.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0667   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9333    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958   -0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6208    2.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0500    2.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7792   -2.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3333    3.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0500    2.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  7  2  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7 18  1  0  0  0  0
  8  4  1  0  0  0  0
  9  2  1  0  0  0  0
 10  3  1  0  0  0  0
 11  6  1  0  0  0  0
 12  5  1  0  0  0  0
 13  8  1  0  0  0  0
 14 12  2  0  0  0  0
 15  9  1  0  0  0  0
 16 13  2  0  0  0  0
 17 15  2  0  0  0  0
 18 20  1  0  0  0  0
 19 12  1  0  0  0  0
 20 19  1  0  0  0  0
 21 10  1  0  0  0  0
 22 11  1  0  0  0  0
 23 16  1  0  0  0  0
 24 21  2  0  0  0  0
 25 22  2  0  0  0  0
  8  9  2  0  0  0  0
 17 16  1  0  0  0  0
 11 10  2  0  0  0  0
 25 24  1  0  0  0  0
M  END
>  <Mol_ID> (6,139)
6139

>  <Formula> (6,139)
C19H17N3OS2

>  <MolWeight> (6,139)
367.48778

>  <COMPOUND_NAME> (6,139)
WAY-637658

>  <BAR_CODE_NO> (6,139)
90472156

$$$$
WAY-637664
csChFnd80/06171916332D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -2.9454   -1.2749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8178   -0.1438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2902   -1.9266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8316   -1.5162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1626   -0.7956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8178    0.7803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3971   -1.6852    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5247   -2.8197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0695   -2.4059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0178    1.2424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4178   -3.0576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0178    2.1665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2213    2.6286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6201    2.1458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2213    3.5458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6201    1.1769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4581    0.6941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2960    1.1803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4650   -0.2714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1305    0.7010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3029   -0.7576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1339   -0.2680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0512    0.9976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0546   -0.5645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6201    0.2286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  6 10  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
  5  7  1  0  0  0  0
  9 11  2  0  0  0  0
 21 22  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (6,140)
6140

>  <Formula> (6,140)
C20H20N2O3

>  <MolWeight> (6,140)
336.3844

>  <COMPOUND_NAME> (6,140)
WAY-637664

>  <BAR_CODE_NO> (6,140)
90472162

$$$$
WAY-637685
csChFnd80/06171916332D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.4292   -0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9125   -0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7000    0.2708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9125    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7000   -0.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958   -0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8083    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6333    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1500   -1.7667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0458   -0.1417    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3667   -1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   -2.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0458    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8083    1.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6333    1.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  2  0  0  0  0
  5  2  2  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  2  0  0  0  0
 10  7  2  0  0  0  0
 11  9  1  0  0  0  0
 12  5  1  0  0  0  0
 13  8  1  0  0  0  0
 14  7  1  0  0  0  0
 15  9  1  0  0  0  0
 16 13  2  0  0  0  0
 17 16  1  0  0  0  0
  3  5  1  0  0  0  0
 17 15  2  0  0  0  0
M  END
>  <Mol_ID> (6,141)
6141

>  <Formula> (6,141)
C14H14ClNO

>  <MolWeight> (6,141)
247.72006

>  <COMPOUND_NAME> (6,141)
WAY-637685

>  <BAR_CODE_NO> (6,141)
90472183

$$$$
WAY-637686
csChFnd80/06171916332D

 20 21  0  0  0  0  0  0  0  0999 V2000
    0.9417   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4250   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3583    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2125    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4250    0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2125   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5333    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667   -1.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208    0.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958    0.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3625   -2.0292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3583    0.1958    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3583    1.8458    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1833    1.0208    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.8792   -1.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7250   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  2  0  0  0  0
  6  2  2  0  0  0  0
  7 10  1  0  0  0  0
  8  2  1  0  0  0  0
  9  1  1  0  0  0  0
 10 11  2  0  0  0  0
 11  9  1  0  0  0  0
 12  8  2  0  0  0  0
 13  3  1  0  0  0  0
 14  3  1  0  0  0  0
 15  3  1  0  0  0  0
 16  6  1  0  0  0  0
 17 18  1  0  0  0  0
 18 20  2  0  0  0  0
 19  8  1  0  0  0  0
 20 11  1  0  0  0  0
  4  6  1  0  0  0  0
 17  7  2  0  0  0  0
M  END
>  <Mol_ID> (6,142)
6142

>  <Formula> (6,142)
C15H14F3NO

>  <MolWeight> (6,142)
281.2729696

>  <COMPOUND_NAME> (6,142)
WAY-637686

>  <BAR_CODE_NO> (6,142)
90472184

$$$$
WAY-637300
csChFnd80/06171916332D

 17 19  0  0  0  0  0  0  0  0999 V2000
    2.0917   -0.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3792    0.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7625   -0.3875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.9042   -1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0875   -1.1417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0500    0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708   -0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3833    0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042    0.9750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4542   -1.6917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3833    0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0500    0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708    1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583   -0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6500    0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708    1.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  3  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  2  2  0  0  0  0
 10  4  2  0  0  0  0
 11 13  1  0  0  0  0
 12  6  1  0  0  0  0
 13 12  2  0  0  0  0
 14  3  1  0  0  0  0
 15  8  1  0  0  0  0
 16 15  1  0  0  0  0
 17 11  1  0  0  0  0
  5  3  1  0  0  0  0
 11  8  2  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (6,143)
6143

>  <Formula> (6,143)
C13H14N2O2

>  <MolWeight> (6,143)
230.26246

>  <COMPOUND_NAME> (6,143)
WAY-637300

>  <BAR_CODE_NO> (6,143)
90471795

$$$$
WAY-637379
csChFnd80/06171916332D

 30 32  0  0  0  0  0  0  0  0999 V2000
   -2.3958    1.2875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8750    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8750    0.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6583    0.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6583    1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3792   -1.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5542   -1.5667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1417   -0.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792   -0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042   -0.1417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6208    2.7458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6208   -0.1542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167   -0.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7917   -2.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7917   -0.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5542   -0.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333   -0.8542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5708    1.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3792   -3.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.3792   -0.1417    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.3750    0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3750    2.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333    0.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1583    0.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167    0.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0292   -1.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6167   -2.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6167   -0.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0958    1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0958    0.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  9 23  1  0  0  0  0
 10  9  1  0  0  0  0
 11  2  2  0  0  0  0
 12  3  2  0  0  0  0
 13 10  1  0  0  0  0
 14  6  1  0  0  0  0
 15  6  2  0  0  0  0
 16  8  2  0  0  0  0
 17  9  2  0  0  0  0
 18  1  1  0  0  0  0
 19 14  1  0  0  0  0
 20 15  1  0  0  0  0
 21  4  1  0  0  0  0
 22  5  1  0  0  0  0
 23 24  1  0  0  0  0
 24 18  1  0  0  0  0
 25 10  1  0  0  0  0
 26 28  2  0  0  0  0
 27 14  2  0  0  0  0
 28 15  1  0  0  0  0
 29 22  2  0  0  0  0
 30 21  2  0  0  0  0
  4  5  2  0  0  0  0
 30 29  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (6,144)
6144

>  <Formula> (6,144)
C21H19Cl2N3O4

>  <MolWeight> (6,144)
448.29926

>  <COMPOUND_NAME> (6,144)
WAY-637379

>  <BAR_CODE_NO> (6,144)
90471874

$$$$
WAY-637471
csChFnd80/06171916332D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -0.1750    2.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1750    1.9375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6125    3.0208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3542   -1.5792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667   -1.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6125    1.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792   -1.1667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0917    2.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3542   -0.7542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667   -0.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3125   -2.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6250    2.9958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667    0.9000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458    4.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1083    3.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6250    4.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3125    0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958   -2.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667   -3.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958   -4.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458   -3.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6125   -4.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4500   -4.9667    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  9  1  0  0  0  0
  5  7  1  0  0  0  0
  6  2  1  0  0  0  0
  7 10  1  0  0  0  0
  8  3  1  0  0  0  0
  9 10  2  0  0  0  0
 10 18  1  0  0  0  0
 11  1  1  0  0  0  0
 12  5  1  0  0  0  0
 13 11  1  0  0  0  0
 14  6  1  0  0  0  0
 15 11  2  0  0  0  0
 16 13  1  0  0  0  0
 17 15  1  0  0  0  0
 18 14  1  0  0  0  0
 19 12  2  0  0  0  0
 20 12  1  0  0  0  0
 21 23  1  0  0  0  0
 22 19  1  0  0  0  0
 23 20  2  0  0  0  0
 24 21  1  0  0  0  0
  8  6  2  0  0  0  0
 16 17  2  0  0  0  0
  4  5  2  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (6,145)
6145

>  <Formula> (6,145)
C15H9FN4O3S

>  <MolWeight> (6,145)
344.3203632

>  <COMPOUND_NAME> (6,145)
WAY-637471

>  <BAR_CODE_NO> (6,145)
90471966

$$$$
WAY-637475
csChFnd80/06171916332D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -0.8333    1.5708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8333    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208    0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167   -3.6792    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.0333   -0.4917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7750   -0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458    1.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292    0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1875    0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792   -2.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6292   -4.3417    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.1042   -1.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9375   -3.7625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458    0.3333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458    2.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667   -2.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9625   -2.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6250   -2.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9292   -1.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208    1.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2625    1.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208    2.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8333    3.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2625    3.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9750    1.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9750    2.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4 10  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  1  1  0  0  0  0
  8  3  2  0  0  0  0
  9  8  1  0  0  0  0
 10 16  1  0  0  0  0
 11  4  1  0  0  0  0
 12  6  1  0  0  0  0
 13  4  2  0  0  0  0
 14  2  2  0  0  0  0
 15  7  2  0  0  0  0
 16 19  2  0  0  0  0
 17 18  1  0  0  0  0
 18 12  2  0  0  0  0
 19 12  1  0  0  0  0
 20  1  1  0  0  0  0
 21  7  1  0  0  0  0
 22 20  1  0  0  0  0
 23 22  1  0  0  0  0
 24 15  1  0  0  0  0
 25 21  2  0  0  0  0
 26 25  1  0  0  0  0
 23 15  1  0  0  0  0
 26 24  2  0  0  0  0
  9  6  2  0  0  0  0
 10 17  2  0  0  0  0
M  END
>  <Mol_ID> (6,146)
6146

>  <Formula> (6,146)
C20H16N2O4

>  <MolWeight> (6,146)
348.35204

>  <COMPOUND_NAME> (6,146)
WAY-637475

>  <BAR_CODE_NO> (6,146)
90471970

$$$$
WAY-637476
csChFnd80/06171916332D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -0.2500    0.5750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3542   -1.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6917   -2.4042    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.4667   -0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542   -1.4792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9625    0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667   -0.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167   -0.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   -3.0750    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.5167   -2.4917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9625   -0.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9625    1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667    0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6750    0.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667    1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500    2.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6750    2.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3958    0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3958    1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  6  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  1  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  2  0  0  0  0
 10  4  1  0  0  0  0
 11  4  2  0  0  0  0
 12  3  2  0  0  0  0
 13  7  2  0  0  0  0
 14  1  1  0  0  0  0
 15  7  1  0  0  0  0
 16 14  1  0  0  0  0
 17 16  1  0  0  0  0
 18 13  1  0  0  0  0
 19 15  2  0  0  0  0
 20 19  1  0  0  0  0
 17 13  1  0  0  0  0
 20 18  2  0  0  0  0
  8  2  2  0  0  0  0
M  END
>  <Mol_ID> (6,147)
6147

>  <Formula> (6,147)
C14H12N2O3S

>  <MolWeight> (6,147)
288.32168

>  <COMPOUND_NAME> (6,147)
WAY-637476

>  <BAR_CODE_NO> (6,147)
90471971

$$$$
WAY-637483
csChFnd80/06171916332D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -0.3625   -0.7792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208   -0.1667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583    0.6208    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.1417    0.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4458    2.6833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2125    1.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1875   -1.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9583    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2500   -0.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9750   -1.3292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1708    3.0958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9583    3.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1708    2.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.1750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708   -2.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917   -1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000    1.5750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5417   -1.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4875   -2.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917   -2.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8417   -3.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  8  1  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8  6  1  0  0  0  0
  9  1  2  0  0  0  0
 10  1  2  0  0  0  0
 11 13  1  0  0  0  0
 12  5  2  0  0  0  0
 13  8  2  0  0  0  0
 14  4  2  0  0  0  0
 15  7  2  0  0  0  0
 16  7  1  0  0  0  0
 17  4  1  0  0  0  0
 18 16  2  0  0  0  0
 19 15  1  0  0  0  0
 20 18  1  0  0  0  0
 21 20  1  0  0  0  0
 20 19  2  0  0  0  0
 12 11  1  0  0  0  0
M  END
>  <Mol_ID> (6,148)
6148

>  <Formula> (6,148)
C13H15N3O4S

>  <MolWeight> (6,148)
309.3409

>  <COMPOUND_NAME> (6,148)
WAY-637483

>  <BAR_CODE_NO> (6,148)
90471978

$$$$
WAY-637486
csChFnd80/06171916332D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -0.8125    0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8125    1.9583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5583   -0.1667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.6000    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8625   -0.6875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6667   -0.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417   -0.3417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000    1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1125   -0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458   -1.5917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042   -1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042   -1.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9250   -1.6417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9333   -0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6583   -2.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2708   -1.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2167   -0.2417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3125    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3125    2.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0292   -0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0333    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0333    1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6 12  1  0  0  0  0
  7  6  1  0  0  0  0
  8  4  1  0  0  0  0
  9  5  2  0  0  0  0
 10  4  1  0  0  0  0
 11 10  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  1  0  0  0  0
 14  8  1  0  0  0  0
 15  8  1  0  0  0  0
 16  7  2  0  0  0  0
 17 10  2  0  0  0  0
 18 11  1  0  0  0  0
 19 17  1  0  0  0  0
 20  7  1  0  0  0  0
 21  2  1  0  0  0  0
 22  5  1  0  0  0  0
 23  9  1  0  0  0  0
 24 20  1  0  0  0  0
 25 22  2  0  0  0  0
 26 25  1  0  0  0  0
 27 24  1  0  0  0  0
  9  3  1  0  0  0  0
 26 23  2  0  0  0  0
 18 19  2  0  0  0  0
  6 13  1  0  0  0  0
M  END
>  <Mol_ID> (6,149)
6149

>  <Formula> (6,149)
C21H25N3O2S

>  <MolWeight> (6,149)
383.5071

>  <COMPOUND_NAME> (6,149)
WAY-637486

>  <BAR_CODE_NO> (6,149)
90471981

$$$$
WAY-637493
csChFnd80/06171916332D

 25 29  0  0  0  0  0  0  0  0999 V2000
    0.7667   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0375    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042   -0.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1250    0.9375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6917   -1.5250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1792    0.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9042   -0.9792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458    1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5583    0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2417   -2.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9917   -1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2708    1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2708    2.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0583    1.0958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583   -0.4375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0583    2.4333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5375    1.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458    2.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5583    2.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542   -2.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6625   -2.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5792   -3.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8250   -3.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  2  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  6  1  0  0  0  0
  9  4  1  0  0  0  0
 10  9  2  0  0  0  0
 11  5  1  0  0  0  0
 12  7  1  0  0  0  0
 13 10  1  0  0  0  0
 14 21  1  0  0  0  0
 15 13  1  0  0  0  0
 16  2  1  0  0  0  0
 17  6  2  0  0  0  0
 18 14  1  0  0  0  0
 19 15  1  0  0  0  0
 20  9  1  0  0  0  0
 21 20  2  0  0  0  0
 22 11  1  0  0  0  0
 23 12  1  0  0  0  0
 24 23  2  0  0  0  0
 25 22  2  0  0  0  0
  4  8  1  0  0  0  0
 12 11  2  0  0  0  0
 24 25  1  0  0  0  0
 14 13  2  0  0  0  0
 19 18  1  0  0  0  0
M  END
>  <Mol_ID> (6,150)
6150

>  <Formula> (6,150)
C18H14N4O3

>  <MolWeight> (6,150)
334.32876

>  <COMPOUND_NAME> (6,150)
WAY-637493

>  <BAR_CODE_NO> (6,150)
90471988

$$$$
WAY-637845
csChFnd80/06171916332D

 13 14  0  0  0  0  0  0  0  0999 V2000
    0.5542   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667    0.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7917    0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042    0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042    0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667   -0.8792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6833   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6833    0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083    0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7458   -0.1542    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  3  1  0  0  0  0
  7  1  2  0  0  0  0
  8  4  1  0  0  0  0
  9  4  2  0  0  0  0
 10 12  2  0  0  0  0
 11  8  2  0  0  0  0
 12  9  1  0  0  0  0
 13 10  1  0  0  0  0
 11 10  1  0  0  0  0
  6  5  1  0  0  0  0
M  END
>  <Mol_ID> (6,151)
6151

>  <Formula> (6,151)
C10H10INO

>  <MolWeight> (6,151)
287.09697

>  <COMPOUND_NAME> (6,151)
WAY-637845

>  <BAR_CODE_NO> (6,151)
90472343

$$$$
WAY-637921
csChFnd80/06171916332D

 23 26  0  0  0  0  0  0  0  0999 V2000
    0.9542   -0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000   -0.1667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7750   -0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1042    0.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417   -1.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708   -1.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0708   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4958   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4958    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2125   -0.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6250    0.7208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2125    1.1458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0708    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9292    0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833    1.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9250   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9250    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4792   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3417    0.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1500    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2292   -0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  4  1  0  0  0  0
  9 10  1  0  0  0  0
 10  8  2  0  0  0  0
 11 17  1  0  0  0  0
 12  9  1  0  0  0  0
 13  5  2  0  0  0  0
 14 11  1  0  0  0  0
 15  8  1  0  0  0  0
 16  5  1  0  0  0  0
 17 15  2  0  0  0  0
 18 12  1  0  0  0  0
 19 14  1  0  0  0  0
 20 16  1  0  0  0  0
 21 16  1  0  0  0  0
 22 21  1  0  0  0  0
 23 20  1  0  0  0  0
  7  4  2  0  0  0  0
 22 23  1  0  0  0  0
 11  9  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (6,152)
6152

>  <Formula> (6,152)
C17H18N2O3S

>  <MolWeight> (6,152)
330.40142

>  <COMPOUND_NAME> (6,152)
WAY-637921

>  <BAR_CODE_NO> (6,152)
90472420

$$$$
WAY-637936
csChFnd80/06171916332D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.2583   -0.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458   -1.1125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2583   -1.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208    0.3375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5250   -0.7000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5250   -1.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0375    0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542    4.5417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208   -2.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292    3.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1750    4.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4500    3.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7875    4.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417    0.7833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208   -2.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0375   -3.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0250   -4.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5750   -3.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208   -3.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2833   -4.9167    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208    1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792    3.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292    2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7  4  1  0  0  0  0
  8 10  1  0  0  0  0
  9  3  1  0  0  0  0
 10 22  1  0  0  0  0
 11  8  1  0  0  0  0
 12 10  2  0  0  0  0
 13 12  1  0  0  0  0
 14  7  2  0  0  0  0
 15  9  2  0  0  0  0
 16  9  1  0  0  0  0
 17 19  1  0  0  0  0
 18 15  1  0  0  0  0
 19 16  2  0  0  0  0
 20 17  1  0  0  0  0
 21  7  1  0  0  0  0
 22 23  1  0  0  0  0
 23 21  1  0  0  0  0
  6  3  2  0  0  0  0
 17 18  2  0  0  0  0
 11 13  2  0  0  0  0
M  END
>  <Mol_ID> (6,153)
6153

>  <Formula> (6,153)
C17H15FN2OS2

>  <MolWeight> (6,153)
346.4422032

>  <COMPOUND_NAME> (6,153)
WAY-637936

>  <BAR_CODE_NO> (6,153)
90472435

$$$$
WAY-637940
csChFnd80/06171916332D

 24 25  0  0  0  0  0  0  0  0999 V2000
   -0.8958   -3.9167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8958   -3.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8958   -4.7417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208   -3.9167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833   -0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292    1.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8958   -0.6167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708   -3.9167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292    1.0333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292   -0.6167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833    2.2708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833   -2.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6083   -2.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833    0.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2500    2.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8958   -1.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6083   -1.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833   -1.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2500    3.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9625    3.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292    3.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292    4.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9625    4.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2500    4.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  2  0  0  0  0
  5  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7 16  1  0  0  0  0
  8  1  1  0  0  0  0
  9 14  1  0  0  0  0
 10  5  2  0  0  0  0
 11  6  2  0  0  0  0
 12  2  1  0  0  0  0
 13  2  2  0  0  0  0
 14  5  1  0  0  0  0
 15  6  1  0  0  0  0
 16 17  2  0  0  0  0
 17 13  1  0  0  0  0
 18 12  2  0  0  0  0
 19 15  1  0  0  0  0
 20 19  1  0  0  0  0
 21 19  2  0  0  0  0
 22 21  1  0  0  0  0
 23 20  2  0  0  0  0
 24 22  2  0  0  0  0
 16 18  1  0  0  0  0
 24 23  1  0  0  0  0
M  END
>  <Mol_ID> (6,154)
6154

>  <Formula> (6,154)
C16H17N3O4S

>  <MolWeight> (6,154)
347.38888

>  <COMPOUND_NAME> (6,154)
WAY-637940

>  <BAR_CODE_NO> (6,154)
90472439

$$$$
WAY-638078
csChFnd80/06171916332D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -1.3750   -2.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6625   -2.4417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3750   -1.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6625   -1.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0958   -2.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0958   -1.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667    0.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792    1.2708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3750   -3.6792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792    2.0958    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0542   -1.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542   -0.3792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542    1.2708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667    0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917    2.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8083   -2.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8083   -1.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6625    0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667    2.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9125    2.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917    3.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5208   -2.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5208   -1.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9125    3.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6250    2.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6250    3.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  6  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  2  0  0  0  0
  7 14  1  0  0  0  0
  8  7  1  0  0  0  0
  9  1  2  0  0  0  0
 10  8  1  0  0  0  0
 11  4  1  0  0  0  0
 12 11  1  0  0  0  0
 13  7  2  0  0  0  0
 14 12  1  0  0  0  0
 15 10  1  0  0  0  0
 16  5  1  0  0  0  0
 17  6  1  0  0  0  0
 18 12  1  0  0  0  0
 19 10  1  0  0  0  0
 20 15  1  0  0  0  0
 21 15  2  0  0  0  0
 22 16  2  0  0  0  0
 23 22  1  0  0  0  0
 24 21  1  0  0  0  0
 25 20  2  0  0  0  0
 26 24  2  0  0  0  0
  3  4  2  0  0  0  0
 23 17  2  0  0  0  0
 26 25  1  0  0  0  0
M  END
>  <Mol_ID> (6,155)
6155

>  <Formula> (6,155)
C20H22N4O2

>  <MolWeight> (6,155)
350.41428

>  <COMPOUND_NAME> (6,155)
WAY-638078

>  <BAR_CODE_NO> (6,155)
90472580

$$$$
WAY-638082
csChFnd80/06171916332D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -1.7841    0.0906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7841    1.0320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9634   -0.3852    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6048   -0.3852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9634    1.5010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6082    1.5044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1496    0.0872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4254    0.0872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1496    1.0286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4254    1.0286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6677   -0.3852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4884    0.0872    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6677   -1.3300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3090   -0.3852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1746   -0.0059    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4090   -1.3300    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.8056   -0.7094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3366   -1.5300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (6,156)
6156

>  <Formula> (6,156)
C13H9N3OS

>  <MolWeight> (6,156)
255.29506

>  <COMPOUND_NAME> (6,156)
WAY-638082

>  <BAR_CODE_NO> (6,156)
90472585

$$$$
WAY-638088
csChFnd80/06171916332D

 17 19  0  0  0  0  0  0  0  0999 V2000
    1.0792   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7917   -0.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3625   -0.4292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5417   -0.0917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3500   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0625   -0.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8792   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792    0.8083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833    0.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1000   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6875   -1.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0625    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3500    0.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5625   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0500    0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5625    1.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  7  1  0  0  0  0
  6  3  1  0  0  0  0
  7  6  2  0  0  0  0
  8  2  2  0  0  0  0
  9  1  2  0  0  0  0
 10 13  1  0  0  0  0
 11  4  1  0  0  0  0
 12  8  1  0  0  0  0
 13 14  2  0  0  0  0
 14  6  1  0  0  0  0
 15  5  1  0  0  0  0
 16 15  1  0  0  0  0
 17 10  1  0  0  0  0
 11 12  2  0  0  0  0
 10  5  2  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (6,157)
6157

>  <Formula> (6,157)
C14H13NOS

>  <MolWeight> (6,157)
243.32412

>  <COMPOUND_NAME> (6,157)
WAY-638088

>  <BAR_CODE_NO> (6,157)
90472591

$$$$
WAY-638103
csChFnd80/06171916332D

 21 24  0  0  0  0  0  0  0  0999 V2000
    1.0667   -0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8167    0.2125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3500    0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1500   -0.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3625   -0.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3667   -0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9542   -1.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5083    0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7958   -0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5083    1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2958    0.0333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833    0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2958    1.3708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7750    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3500    1.1125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7958    1.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833    1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1917   -0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3667   -1.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6042   -1.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1917   -1.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8  9  1  0  0  0  0
  9 12  2  0  0  0  0
 10 16  1  0  0  0  0
 11  8  1  0  0  0  0
 12  5  1  0  0  0  0
 13 10  1  0  0  0  0
 14 11  1  0  0  0  0
 15  3  2  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 18  6  1  0  0  0  0
 19  7  1  0  0  0  0
 20 18  2  0  0  0  0
 21 19  2  0  0  0  0
  6  7  2  0  0  0  0
 20 21  1  0  0  0  0
 10  8  2  0  0  0  0
 14 13  1  0  0  0  0
M  END
>  <Mol_ID> (6,158)
6158

>  <Formula> (6,158)
C16H11NO4

>  <MolWeight> (6,158)
281.26284

>  <COMPOUND_NAME> (6,158)
WAY-638103

>  <BAR_CODE_NO> (6,158)
90472606

$$$$
WAY-638106
csChFnd80/06171916332D

 33 36  0  0  0  0  0  0  0  0999 V2000
    0.7042    0.2625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5042    0.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292    1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042    1.2333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000   -0.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208   -0.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1125   -3.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6000   -1.6292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708   -3.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833    0.7833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1750   -0.1167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3625    2.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6625   -2.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083   -3.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0500   -2.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4083   -1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1750   -4.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958   -0.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8125   -4.5917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208    1.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1375    2.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292    2.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667    2.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0708   -5.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208   -5.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3500    3.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542    3.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417    3.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4458    2.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1333    3.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5792    3.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8 15  1  0  0  0  0
  9  7  1  0  0  0  0
 10  8  1  0  0  0  0
 11  2  2  0  0  0  0
 12  3  2  0  0  0  0
 13  4  1  0  0  0  0
 14  4  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  1  0  0  0  0
 17  9  1  0  0  0  0
 18  9  1  0  0  0  0
 19 10  2  0  0  0  0
 20  7  2  0  0  0  0
 21 10  1  0  0  0  0
 22 13  2  0  0  0  0
 23 13  1  0  0  0  0
 24 14  1  0  0  0  0
 25 14  2  0  0  0  0
 26 21  1  0  0  0  0
 27 26  1  0  0  0  0
 28 23  2  0  0  0  0
 29 24  2  0  0  0  0
 30 25  1  0  0  0  0
 31 22  1  0  0  0  0
 32 28  1  0  0  0  0
 33 30  2  0  0  0  0
  4  5  1  0  0  0  0
 16  8  1  0  0  0  0
 33 29  1  0  0  0  0
 32 31  2  0  0  0  0
M  END
>  <Mol_ID> (6,159)
6159

>  <Formula> (6,159)
C24H26N4O5

>  <MolWeight> (6,159)
450.48704

>  <COMPOUND_NAME> (6,159)
WAY-638106

>  <BAR_CODE_NO> (6,159)
90472609

$$$$
WAY-638127
csChFnd80/06171916332D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -1.0549    0.4412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8307   -0.1140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3549    1.3619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1411    0.1515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6031    0.4412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3100    1.3619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0451   -0.7899    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5589    0.7895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5100    0.1515    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.9589   -1.0761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7100   -0.7761    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2307    0.8032    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.6693   -0.4381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5900   -0.7278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4796    0.5032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2969   -0.0899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7900   -1.6623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1900    1.1412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0969    0.8412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0693   -2.3140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  7 10  1  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
  5  6  2  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (6,160)
6160

>  <Formula> (6,160)
C13H12N2O5

>  <MolWeight> (6,160)
276.24478

>  <COMPOUND_NAME> (6,160)
WAY-638127

>  <BAR_CODE_NO> (6,160)
90472630

$$$$
WAY-638137
csChFnd80/06171916332D

 24 25  0  0  0  0  0  0  0  0999 V2000
    1.1292   -1.3375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0125    1.5500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.8417   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    1.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7167   -2.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4250    0.8333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6000    2.2708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5417   -0.6250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167   -0.9250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000    1.1375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8417   -2.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000    0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    1.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5542   -2.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5542   -1.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    2.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2667   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    3.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2667   -2.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    2.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708    1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5542   -3.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 10  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  2  0  0  0  0
  6  2  2  0  0  0  0
  7  2  2  0  0  0  0
  8  1  2  0  0  0  0
  9  1  1  0  0  0  0
 10 14  1  0  0  0  0
 11  3  1  0  0  0  0
 12  4  2  0  0  0  0
 13  9  1  0  0  0  0
 14 13  1  0  0  0  0
 15 12  1  0  0  0  0
 16 11  2  0  0  0  0
 17  3  2  0  0  0  0
 18  4  1  0  0  0  0
 19 17  1  0  0  0  0
 20 18  2  0  0  0  0
 21 19  2  0  0  0  0
 22 20  1  0  0  0  0
 23 15  1  0  0  0  0
 24 16  1  0  0  0  0
 21 16  1  0  0  0  0
 22 15  2  0  0  0  0
M  END
>  <Mol_ID> (6,161)
6161

>  <Formula> (6,161)
C16H20N2O4S2

>  <MolWeight> (6,161)
368.471

>  <COMPOUND_NAME> (6,161)
WAY-638137

>  <BAR_CODE_NO> (6,161)
90472640

$$$$
WAY-638178-A
csChFnd80/06171916332D

 25 28  0  0  0  0  0  0  0  0999 V2000
    1.1667   -0.3292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2583   -1.1542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1208   -1.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1208   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9083   -1.4042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9083   -0.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8792    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3958   -0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4083   -1.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8792    0.9083    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.6875   -1.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9750   -1.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4083    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5917    1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667   -1.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2583   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542   -1.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6875   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667    1.3208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3125    0.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5917    2.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3125    2.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0250    1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0250    2.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 17  1  0  0  0  0
  3  9  1  0  0  0  0
  4 13  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  7  1  1  0  0  0  0
  8  5  1  0  0  0  0
  9 11  2  0  0  0  0
 10  7  1  0  0  0  0
 11 12  1  0  0  0  0
 12  2  1  0  0  0  0
 13 19  2  0  0  0  0
 14 10  1  0  0  0  0
 15  1  1  0  0  0  0
 16  1  1  0  0  0  0
 17 16  1  0  0  0  0
 18 15  1  0  0  0  0
 19 11  1  0  0  0  0
 20 10  1  0  0  0  0
 21 14  1  0  0  0  0
 22 14  2  0  0  0  0
 23 22  1  0  0  0  0
 24 21  2  0  0  0  0
 25 23  2  0  0  0  0
 18  2  1  0  0  0  0
 25 24  1  0  0  0  0
  4  3  2  0  0  0  0
  8  6  1  0  0  0  0
M  END
>  <Mol_ID> (6,162)
6162

>  <Formula> (6,162)
C20H24N2O3

>  <MolWeight> (6,162)
340.41616

>  <COMPOUND_NAME> (6,162)
WAY-638178-A

>  <BAR_CODE_NO> (6,162)
90472681

$$$$
WAY-638199
csChFnd80/06171916332D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.9000   -0.2417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6875    0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167    0.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000    1.0958    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.6875    0.8375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6417   -1.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542   -0.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4083    0.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167    2.1708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3875    1.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1583   -1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167    1.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7125   -0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5208   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000    2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0708   -0.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208   -2.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208   -1.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833   -1.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8833   -0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  2  0  0  0  0
  8  3  2  0  0  0  0
  9 12  1  0  0  0  0
 10  4  1  0  0  0  0
 11  6  1  0  0  0  0
 12  4  1  0  0  0  0
 13 11  1  0  0  0  0
 14 13  2  0  0  0  0
 15 10  1  0  0  0  0
 16 14  1  0  0  0  0
 17 18  1  0  0  0  0
 18 11  2  0  0  0  0
 19 17  2  0  0  0  0
 20 16  1  0  0  0  0
  4  5  1  0  0  0  0
  9 15  1  0  0  0  0
 19 14  1  0  0  0  0
M  END
>  <Mol_ID> (6,163)
6163

>  <Formula> (6,163)
C14H16N2O3S

>  <MolWeight> (6,163)
292.35344

>  <COMPOUND_NAME> (6,163)
WAY-638199

>  <BAR_CODE_NO> (6,163)
90472702

$$$$
WAY-638311
csChFnd80/06171916332D

 20 21  0  0  0  0  0  0  0  0999 V2000
    0.5750    0.0458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5500   -1.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167   -0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458   -1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292    2.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4875   -0.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417    2.8958    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083    0.2958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3542   -0.2125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792    1.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292    3.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167    2.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167    3.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208   -1.0625    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3583   -2.0417    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3833   -2.6750    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667   -1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958   -2.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6167   -2.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  7  2  0  0  0  0
  6 11  1  0  0  0  0
  7  4  1  0  0  0  0
  8  6  1  0  0  0  0
  9  1  2  0  0  0  0
 10  1  2  0  0  0  0
 11  3  1  0  0  0  0
 12  8  1  0  0  0  0
 13  6  2  0  0  0  0
 14 13  1  0  0  0  0
 15  2  1  0  0  0  0
 16  2  1  0  0  0  0
 17  2  1  0  0  0  0
 18  4  2  0  0  0  0
 19 20  2  0  0  0  0
 20 18  1  0  0  0  0
 19  5  1  0  0  0  0
 12 14  2  0  0  0  0
M  END
>  <Mol_ID> (6,164)
6164

>  <Formula> (6,164)
C12H10F3NO2S2

>  <MolWeight> (6,164)
321.3385096

>  <COMPOUND_NAME> (6,164)
WAY-638311

>  <BAR_CODE_NO> (6,164)
90472814

$$$$
WAY-638358
csChFnd80/06171916332D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -0.6500   -3.3167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7792    1.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6500   -2.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4750   -3.3167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6500   -4.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7792    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1750   -3.3167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667    2.8708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4917    1.2208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667    1.2208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667   -2.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3625   -2.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3625   -1.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667   -1.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6500   -0.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667    0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667    3.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4917    2.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6500   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7792    4.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4917    3.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 10  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  1  2  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  6  2  0  0  0  0
  9  2  2  0  0  0  0
 10 16  1  0  0  0  0
 11  3  1  0  0  0  0
 12  3  2  0  0  0  0
 13 12  1  0  0  0  0
 14 11  2  0  0  0  0
 15 13  2  0  0  0  0
 16 19  1  0  0  0  0
 17  8  1  0  0  0  0
 18  6  1  0  0  0  0
 19 15  1  0  0  0  0
 20 21  1  0  0  0  0
 21 18  2  0  0  0  0
 15 14  1  0  0  0  0
 20 17  2  0  0  0  0
M  END
>  <Mol_ID> (6,165)
6165

>  <Formula> (6,165)
C14H15N3O3S

>  <MolWeight> (6,165)
305.3522

>  <COMPOUND_NAME> (6,165)
WAY-638358

>  <BAR_CODE_NO> (6,165)
90472861

$$$$
WAY-638359
csChFnd80/06171916332D

 22 23  0  0  0  0  0  0  0  0999 V2000
    1.0375   -1.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0375   -1.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167    0.0750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7500   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958   -1.1625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958   -1.9875    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4667   -1.9875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083    1.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083    2.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958    1.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958    0.4875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.0375   -3.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167   -3.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7500   -3.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958    2.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8208    2.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083    0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8208    3.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958    3.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  2  0  0  0  0
  7  2  2  0  0  0  0
  8  5  1  0  0  0  0
  9  6  1  0  0  0  0
 10 12  1  0  0  0  0
 11 10  1  0  0  0  0
 12 13  1  0  0  0  0
 13  4  1  0  0  0  0
 14 16  2  0  0  0  0
 15  5  2  0  0  0  0
 16  6  1  0  0  0  0
 17 11  1  0  0  0  0
 18 11  2  0  0  0  0
 19 13  1  0  0  0  0
 20 18  1  0  0  0  0
 21 17  2  0  0  0  0
 22 20  2  0  0  0  0
 14 15  1  0  0  0  0
 22 21  1  0  0  0  0
M  END
>  <Mol_ID> (6,166)
6166

>  <Formula> (6,166)
C18H19ClFNO

>  <MolWeight> (6,166)
319.8009632

>  <COMPOUND_NAME> (6,166)
WAY-638359

>  <BAR_CODE_NO> (6,166)
90472862

$$$$
WAY-638394
csChFnd80/06171916332D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -2.7588    1.3029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7588    2.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9760    0.8511    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5450    0.8477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9760    2.6580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5450    2.6580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1932    1.3029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3277    1.2994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1932    2.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3277    2.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4105    0.8511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4105   -0.0523    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3757    1.3063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792   -0.5075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792   -1.4144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1585   -0.0523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1619   -1.8661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9412   -0.5075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9447   -1.4109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7309   -1.8627    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7309   -2.7661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5137   -1.4109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5137   -3.2178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2964   -1.8627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2964   -2.7661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  2  0  0  0  0
 18 19  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (6,167)
6167

>  <Formula> (6,167)
C20H19N3O2

>  <MolWeight> (6,167)
333.38376

>  <COMPOUND_NAME> (6,167)
WAY-638394

>  <BAR_CODE_NO> (6,167)
90472897

$$$$
WAY-638400
csChFnd80/06171916332D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.7917   -0.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792   -0.3542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792    0.4708    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.6375    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5042   -0.3542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6375    1.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917   -1.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917    1.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3500    0.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792    2.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3500    2.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1250   -2.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542   -2.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0708    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0708    1.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042   -2.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792   -2.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  1  2  0  0  0  0
  6  4  2  0  0  0  0
  7  1  1  0  0  0  0
  8  3  1  0  0  0  0
  9  8  1  0  0  0  0
 10  4  1  0  0  0  0
 11  9  1  0  0  0  0
 12  6  1  0  0  0  0
 13  7  1  0  0  0  0
 14  7  1  0  0  0  0
 15 10  2  0  0  0  0
 16 15  1  0  0  0  0
 17 14  1  0  0  0  0
 18 13  1  0  0  0  0
 17 18  1  0  0  0  0
 11  6  1  0  0  0  0
 16 12  2  0  0  0  0
M  END
>  <Mol_ID> (6,168)
6168

>  <Formula> (6,168)
C16H21NO

>  <MolWeight> (6,168)
243.34404

>  <COMPOUND_NAME> (6,168)
WAY-638400

>  <BAR_CODE_NO> (6,168)
90472903

$$$$
WAY-638430
csChFnd80/06171916332D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -0.6875    0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000    0.5375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000    1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458   -0.5042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3875   -1.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708    0.9500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6875    1.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6458   -1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667    1.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792    2.6708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167   -0.9417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3458   -3.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0958   -2.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4500   -2.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3417    3.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1583   -3.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5167    1.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7083   -2.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1875    1.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  5  1  0  0  0  0
  9  3  1  0  0  0  0
 10  9  2  0  0  0  0
 11  5  2  0  0  0  0
 12 13  1  0  0  0  0
 13  8  2  0  0  0  0
 14  8  1  0  0  0  0
 15 10  1  0  0  0  0
 16 18  1  0  0  0  0
 17  9  1  0  0  0  0
 18 14  2  0  0  0  0
 19 20  1  0  0  0  0
 20 17  2  0  0  0  0
  7  3  2  0  0  0  0
 16 12  2  0  0  0  0
 19 15  2  0  0  0  0
M  END
>  <Mol_ID> (6,169)
6169

>  <Formula> (6,169)
C14H10N4OS

>  <MolWeight> (6,169)
282.3204

>  <COMPOUND_NAME> (6,169)
WAY-638430

>  <BAR_CODE_NO> (6,169)
90472933

$$$$
WAY-638440
csChFnd80/06171916332D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -1.2668   -0.3661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0633   -0.3661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8633    0.6720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8702   -1.4074    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5332    0.6651    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5298   -1.4143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0702    0.6754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0737   -1.4040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7401    0.6616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6737   -0.3661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4505    1.6340    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4436   -0.3074    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5918    1.2582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5918    0.0651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  7 10  2  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
  8 10  1  0  0  0  0
 13 14  2  0  0  0  0
M  END
>  <Mol_ID> (6,170)
6170

>  <Formula> (6,170)
C9H7N3OS

>  <MolWeight> (6,170)
205.23638

>  <COMPOUND_NAME> (6,170)
WAY-638440

>  <BAR_CODE_NO> (6,170)
90472943

$$$$
WAY-638449
csChFnd80/06171916332D

 35 40  0  0  0  0  0  0  0  0999 V2000
    2.3500    0.8708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3500    2.2083    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.8667    1.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1375    1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1375    1.9583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5333   -2.3125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1958   -1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8083   -1.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5208   -1.4167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3500   -2.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5667    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0917    0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2875   -0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8375    2.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3875   -1.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8042    0.6458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0417    1.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292   -0.8667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5667    3.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3500    3.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7375    0.5250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8333   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1333   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2250   -1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0833   -3.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3250   -0.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333   -1.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9333   -2.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8500    2.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8500    3.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3500   -3.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8333   -3.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1375    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1375    3.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1333   -4.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  7  1  0  0  0  0
  7 15  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  6  1  0  0  0  0
 11  2  1  0  0  0  0
 12  1  1  0  0  0  0
 13 12  1  0  0  0  0
 14  2  1  0  0  0  0
 15 22  2  0  0  0  0
 16  4  2  0  0  0  0
 17  3  2  0  0  0  0
 18 13  1  0  0  0  0
 19 11  2  0  0  0  0
 20 14  1  0  0  0  0
 21 13  2  0  0  0  0
 22 27  1  0  0  0  0
 23 26  2  0  0  0  0
 24 18  1  0  0  0  0
 25  6  1  0  0  0  0
 26 24  1  0  0  0  0
 27 24  2  0  0  0  0
 28 10  1  0  0  0  0
 29 11  1  0  0  0  0
 30 19  1  0  0  0  0
 31 25  1  0  0  0  0
 32 28  1  0  0  0  0
 33 29  2  0  0  0  0
 34 33  1  0  0  0  0
 35 31  1  0  0  0  0
  2  5  1  0  0  0  0
 19 20  1  0  0  0  0
 15 23  1  0  0  0  0
 34 30  2  0  0  0  0
 10  9  2  0  0  0  0
 35 32  1  0  0  0  0
M  END
>  <Mol_ID> (6,171)
6171

>  <Formula> (6,171)
C26H26N6O3

>  <MolWeight> (6,171)
470.52304

>  <COMPOUND_NAME> (6,171)
WAY-638449

>  <BAR_CODE_NO> (6,171)
90472952

$$$$
WAY-638459
csChFnd80/06171916332D

 31 34  0  0  0  0  0  0  0  0999 V2000
   -0.2750    3.4625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167   -4.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167   -5.0667    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.2750    2.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042    2.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0625    3.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6875   -3.7625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292   -2.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0625    2.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167   -2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7292   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6500   -3.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958   -2.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792   -1.5542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    0.5333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292    2.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542    1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958   -5.4792    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.0667   -0.8875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.7292   -5.4792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792    1.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7375   -2.3917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0958   -0.0417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208    4.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833    3.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833    1.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8875   -0.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5750    4.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4958    3.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4958    2.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  1  0  0  0  0
  3  2  1  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  8  1  0  0  0  0
  8 10  1  0  0  0  0
  9  6  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 13  1  0  0  0  0
 13  8  2  0  0  0  0
 14 19  1  0  0  0  0
 15 21  1  0  0  0  0
 16  5  1  0  0  0  0
 17  4  1  0  0  0  0
 18  3  1  0  0  0  0
 19 11  1  0  0  0  0
 20  3  2  0  0  0  0
 21 24  1  0  0  0  0
 22 10  2  0  0  0  0
 23 11  2  0  0  0  0
 24 16  2  0  0  0  0
 25  1  1  0  0  0  0
 26  6  1  0  0  0  0
 27  9  1  0  0  0  0
 28 19  1  0  0  0  0
 29 25  1  0  0  0  0
 30 26  2  0  0  0  0
 31 30  1  0  0  0  0
  4  9  1  0  0  0  0
 31 27  2  0  0  0  0
 21 17  2  0  0  0  0
  2 12  2  0  0  0  0
M  END
>  <Mol_ID> (6,172)
6172

>  <Formula> (6,172)
C22H19N3O6

>  <MolWeight> (6,172)
421.40276

>  <COMPOUND_NAME> (6,172)
WAY-638459

>  <BAR_CODE_NO> (6,172)
90472962

$$$$
WAY-638487
csChFnd80/06171916332D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -0.6875    1.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4083    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0250    0.7458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542   -0.0792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8333   -0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8333    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1208   -0.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1208    1.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4083   -0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1667   -0.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6875    1.9833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7417    1.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0250   -0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7417   -0.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8792   -0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5458   -0.4917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5458    1.1583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1208   -1.3167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8792    0.7458    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1667   -1.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6000   -0.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4083   -1.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8792   -1.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6000   -1.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4 14  1  0  0  0  0
  5  7  2  0  0  0  0
  6  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8  2  1  0  0  0  0
  9  2  2  0  0  0  0
 10  4  1  0  0  0  0
 11  1  2  0  0  0  0
 12  3  1  0  0  0  0
 13  3  1  0  0  0  0
 14 13  1  0  0  0  0
 15 12  1  0  0  0  0
 16 10  2  0  0  0  0
 17  5  1  0  0  0  0
 18  6  1  0  0  0  0
 19  7  1  0  0  0  0
 20 16  1  0  0  0  0
 21 10  1  0  0  0  0
 22 16  1  0  0  0  0
 23 19  1  0  0  0  0
 24 21  2  0  0  0  0
 25 24  1  0  0  0  0
  4 15  1  0  0  0  0
  5  6  1  0  0  0  0
 25 22  2  0  0  0  0
M  END
>  <Mol_ID> (6,173)
6173

>  <Formula> (6,173)
C18H19ClN2O3S

>  <MolWeight> (6,173)
378.87306

>  <COMPOUND_NAME> (6,173)
WAY-638487

>  <BAR_CODE_NO> (6,173)
90472990

$$$$
WAY-655778
csChFnd80/06171916332D

 16 18  0  0  0  0  0  0  0  0999 V2000
   -0.3583    0.1333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583   -1.2000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1375   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1375   -0.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667    0.1833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9542   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917    1.6083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9542    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917    0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6042    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667    1.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8500    0.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8500   -1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5708   -0.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5708   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  7  1  0  0  0  0
  7  2  1  0  0  0  0
  8 11  1  0  0  0  0
  9  6  1  0  0  0  0
 10  6  1  0  0  0  0
 11 10  1  0  0  0  0
 12  9  1  0  0  0  0
 13  4  1  0  0  0  0
 14  5  1  0  0  0  0
 15 16  1  0  0  0  0
 16 13  2  0  0  0  0
  3  5  1  0  0  0  0
 15 14  2  0  0  0  0
  8 12  1  0  0  0  0
M  END
>  <Mol_ID> (6,174)
6174

>  <Formula> (6,174)
C12H15N3S

>  <MolWeight> (6,174)
233.3326

>  <COMPOUND_NAME> (6,174)
WAY-655778

>  <BAR_CODE_NO> (6,174)
90490469

$$$$
WAY-655810
csChFnd80/06171916332D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -0.7458    1.1125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0250    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4583    1.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4042   -0.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167   -0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708    1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8833    1.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333    1.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1583    0.3958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6875    1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0250   -0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8833    2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6875   -0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4042    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6000    1.1125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4583    2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167   -1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6000    2.7708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8292   -0.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708    2.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8292   -1.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8292   -2.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3125    1.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3125    2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5417   -3.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167   -3.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167   -3.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5417   -3.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8292   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4 13  1  0  0  0  0
  5  4  1  0  0  0  0
  6  3  2  0  0  0  0
  7  6  1  0  0  0  0
  8  1  2  0  0  0  0
  9  1  2  0  0  0  0
 10  2  1  0  0  0  0
 11  2  1  0  0  0  0
 12 20  1  0  0  0  0
 13 11  1  0  0  0  0
 14 10  1  0  0  0  0
 15  7  1  0  0  0  0
 16  3  1  0  0  0  0
 17  5  1  0  0  0  0
 18 12  1  0  0  0  0
 19  5  2  0  0  0  0
 20 16  2  0  0  0  0
 21 17  1  0  0  0  0
 22 21  1  0  0  0  0
 23 15  1  0  0  0  0
 24 18  1  0  0  0  0
 25 22  2  0  0  0  0
 26 22  1  0  0  0  0
 27 26  2  0  0  0  0
 28 25  1  0  0  0  0
 29 27  1  0  0  0  0
 14  4  1  0  0  0  0
 12  7  2  0  0  0  0
 23 24  1  0  0  0  0
 29 28  2  0  0  0  0
M  END
>  <Mol_ID> (6,175)
6175

>  <Formula> (6,175)
C20H22N2O6S

>  <MolWeight> (6,175)
418.46348

>  <COMPOUND_NAME> (6,175)
WAY-655810

>  <BAR_CODE_NO> (6,175)
90490501

$$$$
WAY-655821
csChFnd80/06171916332D

 32 35  0  0  0  0  0  0  0  0999 V2000
    1.8167   -0.5875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3375    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8167    0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6042   -0.3292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6042    0.4958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5125    0.0833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5667   -1.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7250    0.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1375    0.0833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000    0.7958    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.9708    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542   -1.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167   -1.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1375    1.5083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3750   -0.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3750    0.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042   -2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5125    1.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2000   -0.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8625   -2.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0542   -2.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2000    0.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6125    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042   -0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9708   -1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3375    1.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000    2.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6125    1.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8042   -3.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5125    2.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7500    2.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3375    2.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8 10  1  0  0  0  0
  9  8  1  0  0  0  0
 10  6  1  0  0  0  0
 11  9  1  0  0  0  0
 12  7  2  0  0  0  0
 13  7  1  0  0  0  0
 14  8  2  0  0  0  0
 15 11  2  0  0  0  0
 16 11  1  0  0  0  0
 17 12  1  0  0  0  0
 18 10  1  0  0  0  0
 19 15  1  0  0  0  0
 20 13  2  0  0  0  0
 21 20  1  0  0  0  0
 22 16  2  0  0  0  0
 23 22  1  0  0  0  0
 24 12  1  0  0  0  0
 25 15  1  0  0  0  0
 26 18  1  0  0  0  0
 27 18  2  0  0  0  0
 28 22  1  0  0  0  0
 29 21  1  0  0  0  0
 30 27  1  0  0  0  0
 31 26  2  0  0  0  0
 32 30  2  0  0  0  0
  3  5  1  0  0  0  0
 21 17  2  0  0  0  0
 32 31  1  0  0  0  0
 23 19  2  0  0  0  0
M  END
>  <Mol_ID> (6,176)
6176

>  <Formula> (6,176)
C25H25N5OS

>  <MolWeight> (6,176)
443.5639

>  <COMPOUND_NAME> (6,176)
WAY-655821

>  <BAR_CODE_NO> (6,176)
90490512

$$$$
WAY-655834
csChFnd80/06171916332D

 27 30  0  0  0  0  0  0  0  0999 V2000
    2.0000    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5980    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7319    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8661    4.7501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8661    5.7501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7322    6.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5982    5.7499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.7499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -4.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -5.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8661   -6.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -5.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  7 10  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
  2 16  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 19 22  1  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <Mol_ID> (6,177)
6177

>  <Formula> (6,177)
C22H22N4O

>  <MolWeight> (6,177)
358.43628

>  <COMPOUND_NAME> (6,177)
WAY-655834

>  <BAR_CODE_NO> (6,177)
90490525

$$$$
WAY-655845
csChFnd80/06171916332D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -0.6458    1.2583    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1875   -2.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292   -1.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9667   -2.3125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4458    1.4250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792   -0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667    1.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   -2.7250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2292    0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9667   -3.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8125    0.4458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4708    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1875   -3.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2917   -0.8292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9500    0.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6458    2.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7167    1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5250    1.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292   -4.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3958    2.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7750    0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1333    2.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  6  1  0  0  0  0
  4  2  2  0  0  0  0
  5  1  1  0  0  0  0
  6  9  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9 11  2  0  0  0  0
 10  4  1  0  0  0  0
 11  7  1  0  0  0  0
 12  1  2  0  0  0  0
 13  1  2  0  0  0  0
 14  8  1  0  0  0  0
 15  6  2  0  0  0  0
 16  5  1  0  0  0  0
 17  5  1  0  0  0  0
 18  7  2  0  0  0  0
 19 20  2  0  0  0  0
 20 18  1  0  0  0  0
 21 14  1  0  0  0  0
 22 17  1  0  0  0  0
 23 16  1  0  0  0  0
 24 23  1  0  0  0  0
 25 22  1  0  0  0  0
 19  9  1  0  0  0  0
 24 25  1  0  0  0  0
 10 14  2  0  0  0  0
M  END
>  <Mol_ID> (6,178)
6178

>  <Formula> (6,178)
C17H21N3O3S2

>  <MolWeight> (6,178)
379.49694

>  <COMPOUND_NAME> (6,178)
WAY-655845

>  <BAR_CODE_NO> (6,178)
90490536

$$$$
WAY-655860
csChFnd80/06171916332D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -1.8887    0.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7369    0.0544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7473   -0.4422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4093    1.4647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1286    0.8820    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4473   -1.1042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8093    0.1199    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4611   -1.6042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5956    1.2992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2734    0.5509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3093   -1.9353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1355    1.3820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5631   -0.6077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2907    1.0475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7113   -0.9387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5734   -0.1111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7286   -0.4422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 16 17  1  0  0  0  0
  7  9  1  0  0  0  0
  8 11  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (6,179)
6179

>  <Formula> (6,179)
C13H11N3S

>  <MolWeight> (6,179)
241.31154

>  <COMPOUND_NAME> (6,179)
WAY-655860

>  <BAR_CODE_NO> (6,179)
90490551

$$$$
WAY-655953
csChFnd80/06171916332D

 25 27  0  0  0  0  0  0  0  0999 V2000
    0.5792    3.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3250    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4375    0.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833    0.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1125   -0.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833    2.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7333    1.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -1.9625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542   -2.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792    1.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6250    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167   -0.3917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6500   -2.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458   -1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667    3.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0917    3.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458    1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2083   -2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042   -3.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083   -3.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792    4.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667    4.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0083   -2.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542   -4.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583   -4.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4 11  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  2  0  0  0  0
  7  6  1  0  0  0  0
  8 14  1  0  0  0  0
  9  8  1  0  0  0  0
 10  2  1  0  0  0  0
 11 10  2  0  0  0  0
 12  5  2  0  0  0  0
 13  9  2  0  0  0  0
 14  5  1  0  0  0  0
 15  1  1  0  0  0  0
 16  1  1  0  0  0  0
 17  7  1  0  0  0  0
 18 13  1  0  0  0  0
 19  9  1  0  0  0  0
 20 13  1  0  0  0  0
 21 16  1  0  0  0  0
 22 15  1  0  0  0  0
 23 18  1  0  0  0  0
 24 19  2  0  0  0  0
 25 24  1  0  0  0  0
 21 22  1  0  0  0  0
  4  7  2  0  0  0  0
 25 20  2  0  0  0  0
M  END
>  <Mol_ID> (6,180)
6180

>  <Formula> (6,180)
C21H26N2O2

>  <MolWeight> (6,180)
338.44334

>  <COMPOUND_NAME> (6,180)
WAY-655953

>  <BAR_CODE_NO> (6,180)
90490646

$$$$
WAY-655978
csChFnd80/06171916332D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.9750    0.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958    0.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958    1.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2333   -0.1375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4583    1.3125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6833   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9750    1.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3833   -2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9333   -1.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792    2.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292   -0.5792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6375   -2.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8125    3.1833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4458   -3.1042    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.9000    2.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0542    3.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4250   -1.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2292    1.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3917    3.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833   -3.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792   -2.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7250   -3.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  5  1  0  0  0  0
  8  9  1  0  0  0  0
  9  6  1  0  0  0  0
 10  3  1  0  0  0  0
 11  6  2  0  0  0  0
 12  8  2  0  0  0  0
 13 16  2  0  0  0  0
 14 12  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17  8  1  0  0  0  0
 18 10  1  0  0  0  0
 19 10  2  0  0  0  0
 20 12  1  0  0  0  0
 21 17  2  0  0  0  0
 22 21  1  0  0  0  0
  7  3  2  0  0  0  0
 13 15  1  0  0  0  0
 22 20  2  0  0  0  0
M  END
>  <Mol_ID> (6,181)
6181

>  <Formula> (6,181)
C16H12ClN3OS

>  <MolWeight> (6,181)
329.80398

>  <COMPOUND_NAME> (6,181)
WAY-655978

>  <BAR_CODE_NO> (6,181)
90490671

$$$$
WAY-656018
csChFnd80/06171916332D

 21 23  0  0  0  0  0  0  0  0999 V2000
    2.8037   -0.9138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8037   -2.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6348   -0.5448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8555   -0.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6348   -2.5448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8555   -2.7828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9244   -1.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9555   -0.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9555   -2.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2963   -1.4931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9342   -0.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3135    0.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1756   -0.4552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9549    1.6966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1756    1.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8066    2.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7963    0.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0445    2.7448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2066    3.8345    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.0445    0.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6756    1.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  6  9  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
  5  7  2  0  0  0  0
  8  9  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (6,182)
6182

>  <Formula> (6,182)
C15H12ClN3O2

>  <MolWeight> (6,182)
301.72768

>  <COMPOUND_NAME> (6,182)
WAY-656018

>  <BAR_CODE_NO> (6,182)
90490712

$$$$
WAY-656021
csChFnd80/06171916332D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -0.9708   -0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4500    0.0250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4500   -1.3042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458   -0.6417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2375   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2375   -1.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667    0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458    0.7875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5042    0.7875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0917    0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3292    0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9500    0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9500   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7417    0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7417    1.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6708   -1.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6708   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5667    1.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5667    0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9792    0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8  7  2  0  0  0  0
  9 10  1  0  0  0  0
 10  7  1  0  0  0  0
 11  9  1  0  0  0  0
 12  5  1  0  0  0  0
 13  6  1  0  0  0  0
 14 11  1  0  0  0  0
 15 11  2  0  0  0  0
 16 13  2  0  0  0  0
 17 12  2  0  0  0  0
 18 15  1  0  0  0  0
 19 14  2  0  0  0  0
 20 18  2  0  0  0  0
  6  5  2  0  0  0  0
 16 17  1  0  0  0  0
 20 19  1  0  0  0  0
M  END
>  <Mol_ID> (6,183)
6183

>  <Formula> (6,183)
C15H13N3O2

>  <MolWeight> (6,183)
267.28262

>  <COMPOUND_NAME> (6,183)
WAY-656021

>  <BAR_CODE_NO> (6,183)
90490715

$$$$
WAY-656135
csChFnd80/06171916332D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -0.1833    0.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8958    0.2333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6083   -1.0042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.8958   -0.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6083   -1.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292    0.2333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3250   -0.5917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833    1.4708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3250   -2.2417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2500    0.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8958   -2.2417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6083    0.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3250    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6792    1.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9625    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2500    1.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9625    1.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6792    0.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3917    1.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8958   -3.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7 13  1  0  0  0  0
  8  1  2  0  0  0  0
  9  5  2  0  0  0  0
 10  6  1  0  0  0  0
 11  5  1  0  0  0  0
 12  2  1  0  0  0  0
 13 12  1  0  0  0  0
 14 17  2  0  0  0  0
 15 10  1  0  0  0  0
 16 10  2  0  0  0  0
 17 16  1  0  0  0  0
 18 15  2  0  0  0  0
 19 14  1  0  0  0  0
 20 11  1  0  0  0  0
 14 18  1  0  0  0  0
  7  3  1  0  0  0  0
M  END
>  <Mol_ID> (6,184)
6184

>  <Formula> (6,184)
C14H18N2O3S

>  <MolWeight> (6,184)
294.36932

>  <COMPOUND_NAME> (6,184)
WAY-656135

>  <BAR_CODE_NO> (6,184)
90490830

$$$$
WAY-656238
csChFnd80/06171916332D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -1.1333   -1.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6125   -0.5125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6125   -1.8417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083   -1.1792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042   -0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3958   -0.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3958   -1.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5792    0.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1667    1.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1667    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3417    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292   -0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3417    1.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292    0.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4042    0.9708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5792    2.3958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1125   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1125   -2.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8167    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1667    3.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8250   -1.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8250   -0.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8 10  1  0  0  0  0
  9 14  1  0  0  0  0
 10 12  2  0  0  0  0
 11  5  2  0  0  0  0
 12 13  1  0  0  0  0
 13  5  1  0  0  0  0
 14 15  2  0  0  0  0
 15 12  1  0  0  0  0
 16  8  1  0  0  0  0
 17  9  1  0  0  0  0
 18  6  1  0  0  0  0
 19  7  1  0  0  0  0
 20 16  1  0  0  0  0
 21 17  1  0  0  0  0
 22 19  2  0  0  0  0
 23 18  2  0  0  0  0
  7  6  2  0  0  0  0
 22 23  1  0  0  0  0
  9  8  2  0  0  0  0
M  END
>  <Mol_ID> (6,185)
6185

>  <Formula> (6,185)
C17H17N3O3

>  <MolWeight> (6,185)
311.33518

>  <COMPOUND_NAME> (6,185)
WAY-656238

>  <BAR_CODE_NO> (6,185)
90490933

$$$$
WAY-656283
csChFnd80/06171916332D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -1.6333   -1.4167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6333   -0.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4208   -1.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9000   -1.0042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4542    1.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4208   -0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7917    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3750    2.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8792    0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0375    1.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9625   -0.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083   -0.4417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542    0.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2125    1.1583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667    0.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   -0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6708   -2.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  7  1  0  0  0  0
  6  2  2  0  0  0  0
  7  9  1  0  0  0  0
  8  5  2  0  0  0  0
  9 16  2  0  0  0  0
 10 15  1  0  0  0  0
 11  2  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14  5  1  0  0  0  0
 15 13  2  0  0  0  0
 16 13  1  0  0  0  0
 17  3  1  0  0  0  0
  4  6  1  0  0  0  0
  7 10  2  0  0  0  0
M  END
>  <Mol_ID> (6,186)
6186

>  <Formula> (6,186)
C12H11NO3S

>  <MolWeight> (6,186)
249.28564

>  <COMPOUND_NAME> (6,186)
WAY-656283

>  <BAR_CODE_NO> (6,186)
90490978

$$$$
WAY-656416
csChFnd80/06171916332D

 31 34  0  0  0  0  0  0  0  0999 V2000
   -0.5083   -4.9167    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.2042   -1.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042   -0.3792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042    1.2708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083   -1.6167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083   -4.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042    2.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2250   -5.3292    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.2042   -5.3292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167   -1.6167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083    0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167    0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167    0.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083    0.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083    2.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167    2.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042   -3.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2250   -3.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083   -2.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2250   -2.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042   -2.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6292    2.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167    3.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2250    2.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083    3.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6292    3.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9375    2.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2250    3.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3500    2.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9375    3.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3500    3.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  2  1  0  0  0  0
  4 13  1  0  0  0  0
  5 19  1  0  0  0  0
  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8  1  1  0  0  0  0
  9  1  2  0  0  0  0
 10  2  2  0  0  0  0
 11  3  1  0  0  0  0
 12  3  1  0  0  0  0
 13 12  1  0  0  0  0
 14 11  1  0  0  0  0
 15  7  1  0  0  0  0
 16  7  1  0  0  0  0
 17  6  1  0  0  0  0
 18  6  2  0  0  0  0
 19 20  2  0  0  0  0
 20 18  1  0  0  0  0
 21 17  2  0  0  0  0
 22 16  1  0  0  0  0
 23 16  2  0  0  0  0
 24 15  2  0  0  0  0
 25 15  1  0  0  0  0
 26 23  1  0  0  0  0
 27 24  1  0  0  0  0
 28 25  2  0  0  0  0
 29 22  2  0  0  0  0
 30 28  1  0  0  0  0
 31 26  2  0  0  0  0
 19 21  1  0  0  0  0
  4 14  1  0  0  0  0
 31 29  1  0  0  0  0
 30 27  2  0  0  0  0
M  END
>  <Mol_ID> (6,187)
6187

>  <Formula> (6,187)
C24H24N4O3

>  <MolWeight> (6,187)
416.47236

>  <COMPOUND_NAME> (6,187)
WAY-656416

>  <BAR_CODE_NO> (6,187)
90491111

$$$$
WAY-656439
csChFnd80/06171916332D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -1.3458    2.0083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5625    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8333    1.3375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5625    0.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542    0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542    2.1625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667    0.9250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667   -1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000    2.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542   -0.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5792   -1.9625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542   -1.9625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667   -0.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5792   -2.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5792   -4.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2917   -3.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667   -3.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2917   -4.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667   -4.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0500    3.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4083    2.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5792   -5.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6625    3.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3083    4.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1125    4.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  2  0  0  0  0
  6  4  2  0  0  0  0
  7  2  2  0  0  0  0
  8  9  2  0  0  0  0
  9  7  1  0  0  0  0
 10 15  1  0  0  0  0
 11  1  1  0  0  0  0
 12  6  1  0  0  0  0
 13 10  1  0  0  0  0
 14 10  2  0  0  0  0
 15 12  1  0  0  0  0
 16 13  1  0  0  0  0
 17 21  2  0  0  0  0
 18 16  1  0  0  0  0
 19 16  2  0  0  0  0
 20 18  2  0  0  0  0
 21 19  1  0  0  0  0
 22 11  1  0  0  0  0
 23 11  2  0  0  0  0
 24 17  1  0  0  0  0
 25 23  1  0  0  0  0
 26 22  2  0  0  0  0
 27 25  2  0  0  0  0
  4  5  1  0  0  0  0
 27 26  1  0  0  0  0
  8  6  1  0  0  0  0
 20 17  1  0  0  0  0
M  END
>  <Mol_ID> (6,188)
6188

>  <Formula> (6,188)
C20H17N5O2

>  <MolWeight> (6,188)
359.38128

>  <COMPOUND_NAME> (6,188)
WAY-656439

>  <BAR_CODE_NO> (6,188)
90491134

$$$$
WAY-656494
csChFnd80/06171916332D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -0.7000   -0.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833   -0.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1250   -0.8917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833   -1.5542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5375   -0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9708   -0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9708   -1.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3625   -0.1750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1250    0.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7750    0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6000    0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0125    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8375    1.2583    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.6833   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7750    1.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6833   -1.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3625    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6000    1.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3958   -0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3958   -1.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8  5  1  0  0  0  0
  9  5  2  0  0  0  0
 10  8  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14  6  1  0  0  0  0
 15 17  1  0  0  0  0
 16  7  1  0  0  0  0
 17 10  2  0  0  0  0
 18 15  2  0  0  0  0
 19 14  2  0  0  0  0
 20 16  2  0  0  0  0
  7  6  2  0  0  0  0
 20 19  1  0  0  0  0
 18 12  1  0  0  0  0
M  END
>  <Mol_ID> (6,189)
6189

>  <Formula> (6,189)
C14H11ClN4O

>  <MolWeight> (6,189)
286.71634

>  <COMPOUND_NAME> (6,189)
WAY-656494

>  <BAR_CODE_NO> (6,189)
90491190

$$$$
WAY-656520
csChFnd80/06171916332D

 22 25  0  0  0  0  0  0  0  0999 V2000
   -1.1000    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208    0.3875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1000   -0.6917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208   -0.9417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8208    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4667   -0.2792    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -2.5333   -0.6917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8208   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5333    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6417   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8792   -0.9917    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.8792    0.4333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2292   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2292    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4042    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4042   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8208    1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2458    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5333    1.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2458    1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7 11  1  0  0  0  0
  8 10  1  0  0  0  0
  9  3  1  0  0  0  0
 10  6  2  0  0  0  0
 11 15  2  0  0  0  0
 12  5  1  0  0  0  0
 13  7  1  0  0  0  0
 14  7  2  0  0  0  0
 15 18  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 18 12  2  0  0  0  0
 19  6  1  0  0  0  0
 20 10  1  0  0  0  0
 21 19  2  0  0  0  0
 22 21  1  0  0  0  0
  8  9  2  0  0  0  0
  4  5  2  0  0  0  0
 22 20  2  0  0  0  0
 16 11  1  0  0  0  0
M  END
>  <Mol_ID> (6,190)
6190

>  <Formula> (6,190)
C15H9N5O2

>  <MolWeight> (6,190)
291.26426

>  <COMPOUND_NAME> (6,190)
WAY-656520

>  <BAR_CODE_NO> (6,190)
90491216

$$$$
WAY-656522
csChFnd80/06171916332D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.4083   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042   -1.0792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1250   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4083   -2.3167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1250   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4083    0.1583    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042    1.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4083    1.8083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0167    1.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0167   -2.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458   -2.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0167    2.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292    1.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5583   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5583   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417    1.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292    3.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417    2.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  6  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  2  0  0  0  0
  7  1  1  0  0  0  0
  8  9  1  0  0  0  0
  9  7  1  0  0  0  0
 10  8  2  0  0  0  0
 11  8  1  0  0  0  0
 12  3  1  0  0  0  0
 13  5  1  0  0  0  0
 14  6  1  0  0  0  0
 15 11  2  0  0  0  0
 16 11  1  0  0  0  0
 17 12  2  0  0  0  0
 18 17  1  0  0  0  0
 19 16  2  0  0  0  0
 20 15  1  0  0  0  0
 21 19  1  0  0  0  0
  4  5  2  0  0  0  0
 18 14  2  0  0  0  0
 21 20  2  0  0  0  0
M  END
>  <Mol_ID> (6,191)
6191

>  <Formula> (6,191)
C17H14N2OS

>  <MolWeight> (6,191)
294.37086

>  <COMPOUND_NAME> (6,191)
WAY-656522

>  <BAR_CODE_NO> (6,191)
90491218

$$$$
WAY-656627
csChFnd80/06171916332D

 27 30  0  0  0  0  0  0  0  0999 V2000
    1.8792   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8417    0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1792    0.8833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667   -1.0542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917   -0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5917   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4208   -0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5625    0.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4208    0.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7083   -1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1083   -1.0875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1208    0.5708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3875   -0.0792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0125   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708   -1.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833    1.7208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    0.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3042   -0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2917    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0125    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0417   -1.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.1875    1.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8208   -0.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4250    2.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958    0.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8250    0.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7 10  1  0  0  0  0
  8  2  1  0  0  0  0
  9 17  1  0  0  0  0
 10 14  2  0  0  0  0
 11  7  1  0  0  0  0
 12  9  1  0  0  0  0
 13  5  2  0  0  0  0
 14 15  1  0  0  0  0
 15  5  1  0  0  0  0
 16 26  1  0  0  0  0
 17 20  2  0  0  0  0
 18  6  2  0  0  0  0
 19 18  1  0  0  0  0
 20 14  1  0  0  0  0
 21 18  1  0  0  0  0
 22  3  1  0  0  0  0
 23  3  1  0  0  0  0
 24 11  1  0  0  0  0
 25 22  1  0  0  0  0
 26 23  1  0  0  0  0
 27 12  1  0  0  0  0
  8 19  2  0  0  0  0
 16 25  1  0  0  0  0
  9  7  2  0  0  0  0
 24 27  1  0  0  0  0
M  END
>  <Mol_ID> (6,192)
6192

>  <Formula> (6,192)
C20H21ClN2O4

>  <MolWeight> (6,192)
388.84474

>  <COMPOUND_NAME> (6,192)
WAY-656627

>  <BAR_CODE_NO> (6,192)
90491324

$$$$
WAY-656661
csChFnd80/06171916332D

 30 34  0  0  0  0  0  0  0  0999 V2000
    1.4500    1.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1625    0.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4500    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1625    2.1208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7375    2.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8792    1.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8792    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4500   -0.7667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1625   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167   -1.5917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8375   -1.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7375    0.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167    1.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8375   -0.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6208   -1.8417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6208   -0.5125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1083   -1.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1208   -2.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5917    2.1208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4083   -1.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958   -2.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1208   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4500   -1.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7375   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167   -0.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7375   -2.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4083   -0.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958    2.1208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7375    2.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  2  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  9  1  0  0  0  0
  9  2  1  0  0  0  0
 10 26  1  0  0  0  0
 11 18  1  0  0  0  0
 12  3  2  0  0  0  0
 13  5  1  0  0  0  0
 14 23  1  0  0  0  0
 15 11  1  0  0  0  0
 16 14  1  0  0  0  0
 17 15  1  0  0  0  0
 18 20  2  0  0  0  0
 19  6  2  0  0  0  0
 20 22  1  0  0  0  0
 21 13  2  0  0  0  0
 22 10  1  0  0  0  0
 23 28  2  0  0  0  0
 24  8  1  0  0  0  0
 25  8  1  0  0  0  0
 26 25  1  0  0  0  0
 27 24  1  0  0  0  0
 28 20  1  0  0  0  0
 29 13  1  0  0  0  0
 30  5  1  0  0  0  0
 21 12  1  0  0  0  0
  7  2  2  0  0  0  0
 10 27  1  0  0  0  0
 14 11  2  0  0  0  0
 17 16  1  0  0  0  0
M  END
>  <Mol_ID> (6,193)
6193

>  <Formula> (6,193)
C23H24N2O5

>  <MolWeight> (6,193)
408.44706

>  <COMPOUND_NAME> (6,193)
WAY-656661

>  <BAR_CODE_NO> (6,193)
90491358

$$$$
WAY-656665
csChFnd80/06171916332D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.5542    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1250    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7333    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5875   -0.1667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0208   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7333    1.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1250    1.0708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0208    1.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000    1.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5542   -1.4042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5208   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0000    0.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5208    1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9792    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9792   -1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5542   -2.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7000   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7000   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  2  0  0  0  0
  4  8  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  2  0  0  0  0
  9 12  1  0  0  0  0
 10  2  2  0  0  0  0
 11  6  2  0  0  0  0
 12 13  2  0  0  0  0
 13  7  1  0  0  0  0
 14 11  1  0  0  0  0
 15  4  1  0  0  0  0
 16 15  1  0  0  0  0
 17  9  1  0  0  0  0
 18  6  1  0  0  0  0
 19 11  1  0  0  0  0
 20 14  1  0  0  0  0
 21 22  1  0  0  0  0
 22 18  2  0  0  0  0
 21 19  2  0  0  0  0
  9  4  2  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (6,194)
6194

>  <Formula> (6,194)
C19H19NO2

>  <MolWeight> (6,194)
293.35966

>  <COMPOUND_NAME> (6,194)
WAY-656665

>  <BAR_CODE_NO> (6,194)
90491362

$$$$
WAY-656903
csChFnd80/06171916332D

 25 28  0  0  0  0  0  0  0  0999 V2000
    0.8417    0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417    1.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1250    0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5875    0.4625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6250    0.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1250    1.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6250    1.5458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1042    0.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5875    1.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0208    0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3083    0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7333    0.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1250   -0.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8792   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0208    1.2875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9292    0.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8208   -0.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4875    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292   -1.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6875   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0375   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6250   -0.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9417   -1.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5792   -1.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3917   -2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  2  1  0  0  0  0
  8  5  2  0  0  0  0
  9  4  1  0  0  0  0
 10 11  1  0  0  0  0
 11  4  1  0  0  0  0
 12 10  1  0  0  0  0
 13  3  2  0  0  0  0
 14  5  1  0  0  0  0
 15 10  2  0  0  0  0
 16  8  1  0  0  0  0
 17 12  1  0  0  0  0
 18 12  1  0  0  0  0
 19 14  1  0  0  0  0
 20 14  2  0  0  0  0
 21 18  1  0  0  0  0
 22 17  1  0  0  0  0
 23 20  1  0  0  0  0
 24 19  2  0  0  0  0
 25 23  2  0  0  0  0
  7  8  1  0  0  0  0
  9  6  2  0  0  0  0
 25 24  1  0  0  0  0
 22 21  1  0  0  0  0
M  END
>  <Mol_ID> (6,195)
6195

>  <Formula> (6,195)
C19H19N3O2S

>  <MolWeight> (6,195)
353.43806

>  <COMPOUND_NAME> (6,195)
WAY-656903

>  <BAR_CODE_NO> (6,195)
90491610

$$$$
WAY-656935
csChFnd80/06171916332D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.9000    0.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208    1.0708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1583    0.0333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3875    1.4833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9000    2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083   -1.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583   -1.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5500    2.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8875    3.3583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5625   -2.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708   -2.9375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9667    2.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1292    3.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000   -1.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042    2.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667    3.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083   -3.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6250   -3.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0542   -2.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917   -3.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  5  1  0  0  0  0
  8  9  1  0  0  0  0
  9  6  1  0  0  0  0
 10  3  1  0  0  0  0
 11  6  2  0  0  0  0
 12 16  2  0  0  0  0
 13  8  2  0  0  0  0
 14 13  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17  8  1  0  0  0  0
 18 10  1  0  0  0  0
 19 10  2  0  0  0  0
 20 13  1  0  0  0  0
 21 14  1  0  0  0  0
 22 17  2  0  0  0  0
 23 22  1  0  0  0  0
  7  3  2  0  0  0  0
 12 15  1  0  0  0  0
 23 20  2  0  0  0  0
M  END
>  <Mol_ID> (6,196)
6196

>  <Formula> (6,196)
C17H15N3O2S

>  <MolWeight> (6,196)
325.3849

>  <COMPOUND_NAME> (6,196)
WAY-656935

>  <BAR_CODE_NO> (6,196)
90491647

$$$$
WAY-656941
csChFnd80/06171916332D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -1.4958   -0.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9833    0.0750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9833   -1.2625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708   -0.5917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7708   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7708   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2583    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4833   -1.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0417    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4542    0.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2167    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708    0.8333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4833    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0417    1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1958   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042    0.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1958   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2167    1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4542   -0.5917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9083   -1.4167    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792    0.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2792    0.8333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0417   -1.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6917    1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8  5  1  0  0  0  0
  9 11  1  0  0  0  0
 10 14  1  0  0  0  0
 11 16  2  0  0  0  0
 12  7  2  0  0  0  0
 13  6  1  0  0  0  0
 14 19  2  0  0  0  0
 15  8  2  0  0  0  0
 16 22  1  0  0  0  0
 17  7  1  0  0  0  0
 18 13  2  0  0  0  0
 19 16  1  0  0  0  0
 20  9  1  0  0  0  0
 21 15  1  0  0  0  0
 22 17  1  0  0  0  0
 23 10  1  0  0  0  0
 24 20  1  0  0  0  0
 25 23  1  0  0  0  0
  5  6  2  0  0  0  0
 15 18  1  0  0  0  0
 10  9  2  0  0  0  0
M  END
>  <Mol_ID> (6,197)
6197

>  <Formula> (6,197)
C18H17FN2O3S

>  <MolWeight> (6,197)
360.4025832

>  <COMPOUND_NAME> (6,197)
WAY-656941

>  <BAR_CODE_NO> (6,197)
90491653

$$$$
WAY-657003
csChFnd80/06171916332D

 30 34  0  0  0  0  0  0  0  0999 V2000
    1.4500    1.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1625    0.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4500    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1625    2.1208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8792    1.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8792    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7375    2.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4500   -0.7667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1625   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167   -1.5917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8375   -1.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7375    0.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8375   -0.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6208   -1.8417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6208   -0.5125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167    1.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1083   -1.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1208   -2.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5917    2.1208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4083   -1.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958   -2.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1208   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7375   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4500   -1.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7375   -2.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167   -0.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4083   -0.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7375    2.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958    2.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  1  1  0  0  0  0
  8  9  1  0  0  0  0
  9  2  1  0  0  0  0
 10 26  1  0  0  0  0
 11 18  1  0  0  0  0
 12  3  1  0  0  0  0
 13 23  1  0  0  0  0
 14 11  1  0  0  0  0
 15 13  1  0  0  0  0
 16  7  2  0  0  0  0
 17 14  1  0  0  0  0
 18 20  2  0  0  0  0
 19  5  2  0  0  0  0
 20 22  1  0  0  0  0
 21 16  1  0  0  0  0
 22 10  1  0  0  0  0
 23 28  2  0  0  0  0
 24  8  1  0  0  0  0
 25  8  1  0  0  0  0
 26 25  1  0  0  0  0
 27 24  1  0  0  0  0
 28 20  1  0  0  0  0
 29  7  1  0  0  0  0
 30 16  1  0  0  0  0
 12 21  2  0  0  0  0
  6  2  2  0  0  0  0
 10 27  1  0  0  0  0
 13 11  2  0  0  0  0
 17 15  1  0  0  0  0
M  END
>  <Mol_ID> (6,198)
6198

>  <Formula> (6,198)
C24H26N2O4

>  <MolWeight> (6,198)
406.47424

>  <COMPOUND_NAME> (6,198)
WAY-657003

>  <BAR_CODE_NO> (6,198)
90491719

$$$$
WAY-657021
csChFnd80/06171916332D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -0.6500   -2.0042    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.1833    1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542   -1.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4375    0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2083   -1.3875    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.4042   -1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083   -2.7875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458   -0.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1125    0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4958    2.4208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2458    0.7958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6000    2.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042   -2.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833    3.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6000    2.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167   -0.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5125   -2.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667   -1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  1  0  0  0  0
  4 10  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  2  0  0  0  0
  8  1  2  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11  5  2  0  0  0  0
 12  4  2  0  0  0  0
 13  2  1  0  0  0  0
 14  3  1  0  0  0  0
 15  5  1  0  0  0  0
 16 13  1  0  0  0  0
 17  7  1  0  0  0  0
 18 14  2  0  0  0  0
 19 18  1  0  0  0  0
 19 17  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (6,199)
6199

>  <Formula> (6,199)
C12H12N2O5

>  <MolWeight> (6,199)
264.23408

>  <COMPOUND_NAME> (6,199)
WAY-657021

>  <BAR_CODE_NO> (6,199)
90491737

$$$$
WAY-657095
csChFnd80/06171916332D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -3.3375    2.1000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.6667   -0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792   -2.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792   -0.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0917   -0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6667   -1.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833    0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0917   -1.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833   -0.3750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9500   -0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6208    1.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3375    2.9250    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.9500   -2.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1958    0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375   -0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0500    1.6875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375    0.8625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8042   -0.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6208    0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083    0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1958    1.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375   -1.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792   -2.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 10  1  0  0  0  0
  3  6  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8  3  2  0  0  0  0
  9  7  1  0  0  0  0
 10 15  2  0  0  0  0
 11  1  1  0  0  0  0
 12  1  1  0  0  0  0
 13 23  2  0  0  0  0
 14 22  1  0  0  0  0
 15  9  1  0  0  0  0
 16  1  2  0  0  0  0
 17  7  2  0  0  0  0
 18  5  2  0  0  0  0
 19 11  2  0  0  0  0
 20 11  1  0  0  0  0
 21 19  1  0  0  0  0
 22 20  2  0  0  0  0
 23 15  1  0  0  0  0
 24  3  1  0  0  0  0
 14 21  2  0  0  0  0
  6  2  2  0  0  0  0
  5  8  1  0  0  0  0
M  END
>  <Mol_ID> (6,200)
6200

>  <Formula> (6,200)
C17H12N2O5

>  <MolWeight> (6,200)
324.28758

>  <COMPOUND_NAME> (6,200)
WAY-657095

>  <BAR_CODE_NO> (6,200)
90491812

$$$$
WAY-657136
csChFnd80/06171916332D

 24 27  0  0  0  0  0  0  0  0999 V2000
    0.0792   -0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1958   -0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4083    0.2083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4083   -1.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1958   -0.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042   -0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083    0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083   -1.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1417    0.2500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5542    0.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167   -1.1792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6208   -0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6208   -0.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1417    1.6833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1500   -1.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083    1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3792    0.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5542   -0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3333    0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6208    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7917    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3792   -0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3333    1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  2  2  0  0  0  0
  9  5  2  0  0  0  0
 10  7  1  0  0  0  0
 11 10  1  0  0  0  0
 12  6  2  0  0  0  0
 13  8  1  0  0  0  0
 14  9  1  0  0  0  0
 15 11  2  0  0  0  0
 16  4  1  0  0  0  0
 17  8  1  0  0  0  0
 18 11  1  0  0  0  0
 19 10  1  0  0  0  0
 20 13  1  0  0  0  0
 21 17  2  0  0  0  0
 22 23  1  0  0  0  0
 23 19  1  0  0  0  0
 24 21  1  0  0  0  0
  5  2  1  0  0  0  0
 13 14  2  0  0  0  0
 22 18  1  0  0  0  0
 24 20  2  0  0  0  0
M  END
>  <Mol_ID> (6,201)
6201

>  <Formula> (6,201)
C20H18O4

>  <MolWeight> (6,201)
322.35452

>  <COMPOUND_NAME> (6,201)
WAY-657136

>  <BAR_CODE_NO> (6,201)
90491853

$$$$
WAY-657191
csChFnd80/06171916332D

 18 19  0  0  0  0  0  0  0  0999 V2000
    0.6667    1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6667    1.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3875    0.6208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458    3.0958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458    0.6208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458    2.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583   -3.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583   -1.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583   -3.9167    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458   -2.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4708   -2.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4708   -1.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458   -1.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458   -0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3875    2.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6667    3.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583   -0.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3875    3.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  6  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  2  0  0  0  0
  7 10  1  0  0  0  0
  8 17  1  0  0  0  0
  9  7  1  0  0  0  0
 10 13  2  0  0  0  0
 11 12  1  0  0  0  0
 12  8  2  0  0  0  0
 13  8  1  0  0  0  0
 14  5  1  0  0  0  0
 15  2  1  0  0  0  0
 16 18  1  0  0  0  0
 17 14  1  0  0  0  0
 18 15  2  0  0  0  0
 16  4  2  0  0  0  0
  7 11  2  0  0  0  0
M  END
>  <Mol_ID> (6,202)
6202

>  <Formula> (6,202)
C14H13FN2O

>  <MolWeight> (6,202)
244.2642232

>  <COMPOUND_NAME> (6,202)
WAY-657191

>  <BAR_CODE_NO> (6,202)
90491912

$$$$
WAY-657196
csChFnd80/06171916332D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -0.7698   -0.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4077   -0.0486    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1353   -0.0486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7698   -1.1486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0698    0.3273    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7870   -0.6934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0491    0.6066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5130   -0.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1353   -1.5313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4077   -1.5486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0698    1.0687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7077   -0.0486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1647   -0.0486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5130   -1.1486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7077    1.4514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3491    0.3273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8130   -0.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1647    0.7066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3491    1.0687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4509   -0.0486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0923   -0.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4509    0.6894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7302   -0.0486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0923    1.0687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7302    0.6894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  2  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  2  0  0  0  0
 15 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
  9 14  1  0  0  0  0
 16 19  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (6,203)
6203

>  <Formula> (6,203)
C19H28N2O3S

>  <MolWeight> (6,203)
364.50222

>  <COMPOUND_NAME> (6,203)
WAY-657196

>  <BAR_CODE_NO> (6,203)
90491918

$$$$
WAY-657206
csChFnd80/06171916332D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -0.1125    1.2125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9333    1.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2250    1.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5333   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4833    0.6833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083    2.1083    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458   -1.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458   -2.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5333   -2.8292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958    2.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0125   -2.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2333   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833   -0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292    2.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333   -1.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792    2.9208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333   -2.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4250   -0.2667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6875   -1.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6875   -2.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0917    3.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5792    1.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000   -2.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6417    2.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792    1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4 13  1  0  0  0  0
  5  2  1  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8  7  2  0  0  0  0
  9 11  1  0  0  0  0
 10  3  2  0  0  0  0
 11  4  2  0  0  0  0
 12  5  1  0  0  0  0
 13 12  1  0  0  0  0
 14  3  1  0  0  0  0
 15  7  1  0  0  0  0
 16 14  2  0  0  0  0
 17  8  1  0  0  0  0
 18 12  2  0  0  0  0
 19 15  2  0  0  0  0
 20 19  1  0  0  0  0
 21 16  1  0  0  0  0
 22 14  1  0  0  0  0
 23 20  1  0  0  0  0
 24 25  1  0  0  0  0
 25 22  2  0  0  0  0
  6 10  1  0  0  0  0
 24 21  2  0  0  0  0
  8  9  1  0  0  0  0
 20 17  2  0  0  0  0
M  END
>  <Mol_ID> (6,204)
6204

>  <Formula> (6,204)
C19H15N3O2S

>  <MolWeight> (6,204)
349.4063

>  <COMPOUND_NAME> (6,204)
WAY-657206

>  <BAR_CODE_NO> (6,204)
90491928

$$$$
WAY-657249
csChFnd80/06171916332D

 23 25  0  0  0  0  0  0  0  0999 V2000
    0.1500    1.2833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333    1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1500    2.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8958    0.2458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208    1.6958    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333    2.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3375   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167    2.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7292    3.4208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667   -0.1917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083   -2.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458   -1.7667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5958   -1.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958   -2.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3583   -3.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708   -3.6792    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    3.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5667    2.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542   -3.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8083   -4.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1500    3.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2375    2.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  2  0  0  0  0
  7  4  1  0  0  0  0
  8  3  1  0  0  0  0
  9  8  2  0  0  0  0
 10  7  2  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
 13  7  1  0  0  0  0
 14 12  1  0  0  0  0
 15 11  2  0  0  0  0
 16 15  1  0  0  0  0
 17 20  1  0  0  0  0
 18  9  1  0  0  0  0
 19  8  1  0  0  0  0
 20 14  2  0  0  0  0
 21 17  2  0  0  0  0
 22 23  1  0  0  0  0
 23 19  2  0  0  0  0
  5  6  1  0  0  0  0
 22 18  2  0  0  0  0
 21 15  1  0  0  0  0
M  END
>  <Mol_ID> (6,205)
6205

>  <Formula> (6,205)
C16H12FN3O2S

>  <MolWeight> (6,205)
329.3487832

>  <COMPOUND_NAME> (6,205)
WAY-657249

>  <BAR_CODE_NO> (6,205)
90491972

$$$$
WAY-657273
csChFnd80/06171916332D

 33 37  0  0  0  0  0  0  0  0999 V2000
    1.3167    0.1375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042   -1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042    0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042    1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1083    0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167   -0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1083   -0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1083    1.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167    1.7875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1083    2.6125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042   -1.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0292    0.5500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.1083    4.2625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1083   -2.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -1.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0292    1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    3.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042    3.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -4.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167   -2.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5375    1.7875    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    3.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042    3.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -3.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1083   -3.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1083    5.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5375   -4.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7417    0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5375   -3.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2583   -4.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2583   -3.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  6  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  4  1  0  0  0  0
  9 18  1  0  0  0  0
 10 11  1  0  0  0  0
 11  5  2  0  0  0  0
 12  8  1  0  0  0  0
 13  2  1  0  0  0  0
 14  1  1  0  0  0  0
 15 25  1  0  0  0  0
 16 13  1  0  0  0  0
 17  7  2  0  0  0  0
 18 14  1  0  0  0  0
 19 12  1  0  0  0  0
 20 12  1  0  0  0  0
 21 26  2  0  0  0  0
 22 13  2  0  0  0  0
 23 10  1  0  0  0  0
 24 19  1  0  0  0  0
 25 20  1  0  0  0  0
 26 27  1  0  0  0  0
 27 16  1  0  0  0  0
 28 15  1  0  0  0  0
 29 21  1  0  0  0  0
 30 14  1  0  0  0  0
 31 26  1  0  0  0  0
 32 33  1  0  0  0  0
 33 31  2  0  0  0  0
  9  4  1  0  0  0  0
  7  5  1  0  0  0  0
 10  8  2  0  0  0  0
 15 24  1  0  0  0  0
 32 29  2  0  0  0  0
M  END
>  <Mol_ID> (6,206)
6206

>  <Formula> (6,206)
C24H25FN4O4

>  <MolWeight> (6,206)
452.4781032

>  <COMPOUND_NAME> (6,206)
WAY-657273

>  <BAR_CODE_NO> (6,206)
90491996

$$$$
WAY-657361
csChFnd80/06171916332D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -0.4333    0.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333    0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458    1.3875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917    0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458   -0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8625    0.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8625    0.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792    1.3875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917    0.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792   -0.2625    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.7792   -0.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667    0.5625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792    1.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5750    1.3875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458   -1.0875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792   -1.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0375   -0.8917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458    2.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333    2.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917   -2.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333   -2.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792   -2.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  9  2  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  6  1  0  0  0  0
  8  1  1  0  0  0  0
  9  8  1  0  0  0  0
 10  2  1  0  0  0  0
 11  4  1  0  0  0  0
 12 13  1  0  0  0  0
 13  9  1  0  0  0  0
 14  6  2  0  0  0  0
 15  5  2  0  0  0  0
 16 10  1  0  0  0  0
 17 11  2  0  0  0  0
 18  3  1  0  0  0  0
 19 16  1  0  0  0  0
 20 16  2  0  0  0  0
 21 18  1  0  0  0  0
 22 20  1  0  0  0  0
 23 19  2  0  0  0  0
 24 22  2  0  0  0  0
  4 10  1  0  0  0  0
  7  5  1  0  0  0  0
 12 11  1  0  0  0  0
 24 23  1  0  0  0  0
M  END
>  <Mol_ID> (6,207)
6207

>  <Formula> (6,207)
C17H15N3O4

>  <MolWeight> (6,207)
325.3187

>  <COMPOUND_NAME> (6,207)
WAY-657361

>  <BAR_CODE_NO> (6,207)
90492087

$$$$
WAY-657460
csChFnd80/06171916332D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -1.0333    0.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458    1.1708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458    1.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2875    0.1333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5208    1.5833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7333   -0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167    2.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667   -0.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542    3.4583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4375   -1.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958   -2.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458   -3.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958   -4.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167   -2.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000    3.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8417    2.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667   -1.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1750    2.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6667   -3.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542   -4.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7  4  1  0  0  0  0
  8  3  1  0  0  0  0
  9  7  2  0  0  0  0
 10 18  1  0  0  0  0
 11  7  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  2  0  0  0  0
 19 12  2  0  0  0  0
 20  8  2  0  0  0  0
 21  8  1  0  0  0  0
 22 16  2  0  0  0  0
 23 15  1  0  0  0  0
  6  3  2  0  0  0  0
 10 17  2  0  0  0  0
 22 14  1  0  0  0  0
M  END
>  <Mol_ID> (6,208)
6208

>  <Formula> (6,208)
C17H15N3O2S

>  <MolWeight> (6,208)
325.3849

>  <COMPOUND_NAME> (6,208)
WAY-657460

>  <BAR_CODE_NO> (6,208)
90492187

$$$$
WAY-657541
csChFnd80/06171916332D

 23 25  0  0  0  0  0  0  0  0999 V2000
    0.1292    1.2208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583    0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292    2.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9125    0.1833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458    1.6333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583    2.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583   -0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917    2.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042    3.3458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0625   -1.8292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208   -2.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417   -0.2625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1250   -2.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6208   -1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6750   -2.1750    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.3750    3.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5500    2.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292   -3.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3833   -3.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292    3.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8333   -4.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208   -4.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2167    2.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  2  0  0  0  0
  7  4  1  0  0  0  0
  8  3  1  0  0  0  0
  9  8  2  0  0  0  0
 10 14  1  0  0  0  0
 11 10  1  0  0  0  0
 12  7  2  0  0  0  0
 13 11  2  0  0  0  0
 14  7  1  0  0  0  0
 15 13  1  0  0  0  0
 16  9  1  0  0  0  0
 17  8  1  0  0  0  0
 18 11  1  0  0  0  0
 19 13  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  1  0  0  0  0
 22 18  2  0  0  0  0
 23 17  2  0  0  0  0
  5  6  1  0  0  0  0
 20 16  2  0  0  0  0
 21 19  2  0  0  0  0
M  END
>  <Mol_ID> (6,209)
6209

>  <Formula> (6,209)
C16H12FN3O2S

>  <MolWeight> (6,209)
329.3487832

>  <COMPOUND_NAME> (6,209)
WAY-657541

>  <BAR_CODE_NO> (6,209)
90492269

$$$$
WAY-657568
csChFnd80/06171916332D

 27 29  0  0  0  0  0  0  0  0999 V2000
    0.6167    2.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8125   -3.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042    2.9833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1625    2.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6167    3.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1000   -2.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792   -1.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8750    1.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708   -1.8792    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0250   -0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1625    3.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583   -3.9042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1375   -3.8542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3250    0.9208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958   -1.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4250   -2.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0875   -1.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6792    1.3583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833   -0.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833    2.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3417   -2.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833    3.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917   -2.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1500   -2.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958    2.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958    3.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  6  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8  1  1  0  0  0  0
  9  7  1  0  0  0  0
 10 18  1  0  0  0  0
 11  4  2  0  0  0  0
 12  2  2  0  0  0  0
 13  2  2  0  0  0  0
 14  8  1  0  0  0  0
 15  9  1  0  0  0  0
 16 15  1  0  0  0  0
 17  7  1  0  0  0  0
 18 14  1  0  0  0  0
 19  8  2  0  0  0  0
 20 10  2  0  0  0  0
 21  4  1  0  0  0  0
 22 17  1  0  0  0  0
 23 11  1  0  0  0  0
 24 22  1  0  0  0  0
 25 22  1  0  0  0  0
 26 21  2  0  0  0  0
 27 26  1  0  0  0  0
 11  5  1  0  0  0  0
 27 23  2  0  0  0  0
  2 16  1  0  0  0  0
M  END
>  <Mol_ID> (6,210)
6210

>  <Formula> (6,210)
C18H23N3O5S

>  <MolWeight> (6,210)
393.45732

>  <COMPOUND_NAME> (6,210)
WAY-657568

>  <BAR_CODE_NO> (6,210)
90492296

$$$$
WAY-657584
csChFnd80/06171916332D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -0.1583    0.1750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0917   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042   -0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3250    0.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542   -0.1667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583   -1.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1583    1.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9667   -1.7375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542   -1.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6583    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542   -0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5167   -1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6583    1.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3708    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3708    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  2  0  0  0  0
  7  2  2  0  0  0  0
  8  3  2  0  0  0  0
  9  5  1  0  0  0  0
 10 11  2  0  0  0  0
 11  4  1  0  0  0  0
 12  3  1  0  0  0  0
 13  6  1  0  0  0  0
 14 10  1  0  0  0  0
 15  8  1  0  0  0  0
 16 12  2  0  0  0  0
 17 16  1  0  0  0  0
  8  9  1  0  0  0  0
 17 15  2  0  0  0  0
 14 13  2  0  0  0  0
M  END
>  <Mol_ID> (6,211)
6211

>  <Formula> (6,211)
C13H11N3O

>  <MolWeight> (6,211)
225.24594

>  <COMPOUND_NAME> (6,211)
WAY-657584

>  <BAR_CODE_NO> (6,211)
90492312

$$$$
WAY-657592
csChFnd80/06171916332D

 29 31  0  0  0  0  0  0  0  0999 V2000
    1.2542    1.5833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9667    1.9958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6083   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6667    0.8708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417    2.2958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6792    1.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9667    2.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6083   -0.8917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8875    0.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3208    0.3458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417    0.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1750    1.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1750   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8875    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6792    3.2333    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.3917    1.9958    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.3208   -1.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3917    2.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3208   -2.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3208   -3.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6083   -2.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0333   -2.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6083   -3.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0333   -3.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3208   -4.6042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6792    4.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1125    1.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6083   -5.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3 10  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  2  0  0  0  0
  7  2  1  0  0  0  0
  8  2  1  0  0  0  0
  9  3  1  0  0  0  0
 10 15  2  0  0  0  0
 11  3  2  0  0  0  0
 12  4  1  0  0  0  0
 13  4  2  0  0  0  0
 14 12  2  0  0  0  0
 15 13  1  0  0  0  0
 16  8  1  0  0  0  0
 17  7  1  0  0  0  0
 18  9  1  0  0  0  0
 19 16  1  0  0  0  0
 20 18  1  0  0  0  0
 21 25  2  0  0  0  0
 22 20  1  0  0  0  0
 23 20  2  0  0  0  0
 24 22  2  0  0  0  0
 25 23  1  0  0  0  0
 26 21  1  0  0  0  0
 27 16  1  0  0  0  0
 28 17  1  0  0  0  0
 29 26  1  0  0  0  0
 14 10  1  0  0  0  0
 19 17  1  0  0  0  0
 24 21  1  0  0  0  0
M  END
>  <Mol_ID> (6,212)
6212

>  <Formula> (6,212)
C22H28N2O4S

>  <MolWeight> (6,212)
416.53372

>  <COMPOUND_NAME> (6,212)
WAY-657592

>  <BAR_CODE_NO> (6,212)
90492320

$$$$
WAY-657644
csChFnd80/06171916332D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -0.1708    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9583    1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3125    1.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1708    2.3458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6708    0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9583    2.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792    0.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8875    0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417   -0.7292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2667   -2.6417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3875    1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4417    0.6708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6708    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3875    2.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042   -1.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9500   -0.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0125   -1.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6708    0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7167   -3.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542   -2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1000    0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9042   -3.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3875   -0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1000    0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  2  2  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10 17  1  0  0  0  0
 11  5  2  0  0  0  0
 12  8  2  0  0  0  0
 13  6  1  0  0  0  0
 14 13  2  0  0  0  0
 15 16  1  0  0  0  0
 16  9  1  0  0  0  0
 17 15  2  0  0  0  0
 18  5  1  0  0  0  0
 19 22  1  0  0  0  0
 20 15  1  0  0  0  0
 21 11  1  0  0  0  0
 22 20  2  0  0  0  0
 23 18  2  0  0  0  0
 24 23  1  0  0  0  0
  6  4  1  0  0  0  0
 11 14  1  0  0  0  0
 24 21  2  0  0  0  0
 19 10  2  0  0  0  0
M  END
>  <Mol_ID> (6,213)
6213

>  <Formula> (6,213)
C20H16N2O2

>  <MolWeight> (6,213)
316.35324

>  <COMPOUND_NAME> (6,213)
WAY-657644

>  <BAR_CODE_NO> (6,213)
90492372

$$$$
WAY-657667
csChFnd80/06171916332D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.2292   -1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125   -0.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -1.0875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -1.9125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125   -2.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542   -0.0500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083    2.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5958   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417    2.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0500    1.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0542    2.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542    1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0125    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1125    2.4833    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083    3.7083    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.3042    1.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542   -2.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083   -0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083   -2.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8333   -2.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8333   -0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2458   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7 10  1  0  0  0  0
  8  1  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 16  2  0  0  0  0
 12 13  1  0  0  0  0
 13  6  1  0  0  0  0
 14  7  1  0  0  0  0
 15  9  1  0  0  0  0
 16 12  1  0  0  0  0
 17  5  1  0  0  0  0
 18  8  1  0  0  0  0
 19  8  2  0  0  0  0
 20 19  1  0  0  0  0
 21 18  2  0  0  0  0
 22 20  2  0  0  0  0
  3  4  1  0  0  0  0
 22 21  1  0  0  0  0
  9  7  2  0  0  0  0
M  END
>  <Mol_ID> (6,214)
6214

>  <Formula> (6,214)
C16H13Cl2N3S

>  <MolWeight> (6,214)
350.26552

>  <COMPOUND_NAME> (6,214)
WAY-657667

>  <BAR_CODE_NO> (6,214)
90492395

$$$$
WAY-323468
csChFnd80/06171916332D

 34 38  0  0  0  0  0  0  0  0999 V2000
   -1.9333   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9250   -0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9125   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4250   -1.1750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458   -1.1750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958   -0.0167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4333   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9458   -0.2917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4208   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9458   -0.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4208   -1.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1250    0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958   -1.1792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6833    0.4958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1083   -0.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4333    0.5875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4583   -1.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9625   -0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9625   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1417    0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292   -0.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9125   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542    1.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1500    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6667    1.1083    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083   -2.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4208   -2.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4000   -2.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958   -3.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4125   -3.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083   -3.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  7  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8  2  1  0  0  0  0
  9 11  1  0  0  0  0
 10  2  1  0  0  0  0
 11  5  2  0  0  0  0
 12  4  1  0  0  0  0
 13  6  1  0  0  0  0
 14  7  2  0  0  0  0
 15  6  2  0  0  0  0
 16  6  2  0  0  0  0
 17  9  1  0  0  0  0
 18  8  2  0  0  0  0
 19 11  1  0  0  0  0
 20 21  1  0  0  0  0
 21 19  2  0  0  0  0
 22 13  1  0  0  0  0
 23 13  2  0  0  0  0
 24 12  1  0  0  0  0
 25 27  2  0  0  0  0
 26 22  2  0  0  0  0
 27 23  1  0  0  0  0
 28 25  1  0  0  0  0
 29 24  1  0  0  0  0
 30 29  2  0  0  0  0
 31 29  1  0  0  0  0
 32 31  2  0  0  0  0
 33 30  1  0  0  0  0
 34 32  1  0  0  0  0
  3 10  2  0  0  0  0
  9  8  1  0  0  0  0
 17 20  2  0  0  0  0
 34 33  2  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (6,215)
6215

>  <Formula> (6,215)
C25H19ClN4O3S

>  <MolWeight> (6,215)
490.96136

>  <COMPOUND_NAME> (6,215)
WAY-323468

>  <BAR_CODE_NO> (6,215)
298469

$$$$
WAY-323478
csChFnd80/06171916332D

 32 36  0  0  0  0  0  0  0  0999 V2000
   -1.6000    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958    1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5708    1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958    0.2208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1000    0.2208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0500    1.3833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6125    1.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833    1.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6125    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0625    0.2208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3458    1.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167    0.8625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1125    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4500    1.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1000    1.9958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1208    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708   -1.5375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6208    1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6208    0.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833   -0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9542    1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292   -0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792    2.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792    2.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  7  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8  2  1  0  0  0  0
  9 11  1  0  0  0  0
 10  2  1  0  0  0  0
 11  5  2  0  0  0  0
 12  4  1  0  0  0  0
 13  7  2  0  0  0  0
 14  6  2  0  0  0  0
 15  6  2  0  0  0  0
 16  9  1  0  0  0  0
 17  6  1  0  0  0  0
 18  8  2  0  0  0  0
 19 11  1  0  0  0  0
 20 24  1  0  0  0  0
 21 22  1  0  0  0  0
 22 19  2  0  0  0  0
 23 12  1  0  0  0  0
 24 23  2  0  0  0  0
 25 29  1  0  0  0  0
 26 17  1  0  0  0  0
 27 17  2  0  0  0  0
 28 23  1  0  0  0  0
 29 28  2  0  0  0  0
 30 27  1  0  0  0  0
 31 26  2  0  0  0  0
 32 30  2  0  0  0  0
  3 10  2  0  0  0  0
  9  8  1  0  0  0  0
 16 21  2  0  0  0  0
 25 20  2  0  0  0  0
 32 31  1  0  0  0  0
M  END
>  <Mol_ID> (6,216)
6216

>  <Formula> (6,216)
C23H17N5O3S

>  <MolWeight> (6,216)
443.47778

>  <COMPOUND_NAME> (6,216)
WAY-323478

>  <BAR_CODE_NO> (6,216)
298479

$$$$
WAY-323486
csChFnd80/06171916332D

 34 38  0  0  0  0  0  0  0  0999 V2000
   -1.9333   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208   -0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9125   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4208   -1.1667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458   -1.1667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958   -0.0167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9125   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4333    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9458   -0.2875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9458   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4208   -1.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167    0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958   -1.1667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708    0.4958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1000   -0.5292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9000   -2.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4333    0.5833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4500   -1.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9625   -0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9625   -0.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9125   -2.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1375    0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6167   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9000   -3.8167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1500    0.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6500    1.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1500    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6667    1.1000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.4125   -2.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958   -2.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958   -3.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4000   -3.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  7  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8  2  1  0  0  0  0
  9 11  1  0  0  0  0
 10  2  1  0  0  0  0
 11  5  2  0  0  0  0
 12  4  1  0  0  0  0
 13  6  1  0  0  0  0
 14  7  2  0  0  0  0
 15  6  2  0  0  0  0
 16  6  2  0  0  0  0
 17  9  1  0  0  0  0
 18 23  1  0  0  0  0
 19  8  2  0  0  0  0
 20 11  1  0  0  0  0
 21 22  1  0  0  0  0
 22 20  2  0  0  0  0
 23 12  1  0  0  0  0
 24 13  1  0  0  0  0
 25 13  2  0  0  0  0
 26 33  1  0  0  0  0
 27 29  2  0  0  0  0
 28 24  2  0  0  0  0
 29 25  1  0  0  0  0
 30 27  1  0  0  0  0
 31 18  1  0  0  0  0
 32 18  1  0  0  0  0
 33 32  1  0  0  0  0
 34 31  1  0  0  0  0
  3 10  2  0  0  0  0
  9  8  1  0  0  0  0
 17 21  2  0  0  0  0
 26 34  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (6,217)
6217

>  <Formula> (6,217)
C23H22ClN5O4S

>  <MolWeight> (6,217)
499.96988

>  <COMPOUND_NAME> (6,217)
WAY-323486

>  <BAR_CODE_NO> (6,217)
298487

$$$$
WAY-323490
csChFnd80/06171916332D

 32 36  0  0  0  0  0  0  0  0999 V2000
   -1.9333   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9125   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208   -0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4208   -1.1667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9125   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458   -1.1667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958   -0.0167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4333    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9458   -0.2875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9458   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167    0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958   -1.1667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1000   -0.5292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708    0.4958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4333    0.5833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4500   -1.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4208   -1.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9625   -0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9625   -0.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1375    0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6167   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1500    0.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1500    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6500    1.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6667    1.1000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.9333   -2.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9125   -2.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208   -2.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9333   -2.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4208   -2.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  3  1  0  0  0  0
  9 11  1  0  0  0  0
 10  3  1  0  0  0  0
 11  6  2  0  0  0  0
 12  7  1  0  0  0  0
 13  5  2  0  0  0  0
 14  7  2  0  0  0  0
 15  7  2  0  0  0  0
 16  9  1  0  0  0  0
 17  8  2  0  0  0  0
 18 11  1  0  0  0  0
 19  4  1  0  0  0  0
 20 21  1  0  0  0  0
 21 18  2  0  0  0  0
 22 12  1  0  0  0  0
 23 12  2  0  0  0  0
 24 25  2  0  0  0  0
 25 23  1  0  0  0  0
 26 22  2  0  0  0  0
 27 24  1  0  0  0  0
 28 19  1  0  0  0  0
 29 19  1  0  0  0  0
 30 29  1  0  0  0  0
 31 28  1  0  0  0  0
 32 30  1  0  0  0  0
  2 10  2  0  0  0  0
  9  8  1  0  0  0  0
 16 20  2  0  0  0  0
 32 31  1  0  0  0  0
 24 26  1  0  0  0  0
M  END
>  <Mol_ID> (6,218)
6218

>  <Formula> (6,218)
C23H21ClN4O3S

>  <MolWeight> (6,218)
468.95584

>  <COMPOUND_NAME> (6,218)
WAY-323490

>  <BAR_CODE_NO> (6,218)
298491

$$$$
CL-219782
csChFnd80/06171916332D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -1.6174   -0.3647    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6071   -1.5302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6036    0.2216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6312    0.2112    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5898   -2.1095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6140   -2.1198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6105    1.3871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6381    1.3767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5829   -3.2784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6071   -3.2888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3929    1.9802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5933   -3.8681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4067    1.4112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3757    3.1491    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4067    2.0112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4171    0.2491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4274    1.4388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3929    3.1767    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4343   -0.3267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4412    0.2733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
  7  8  1  0  0  0  0
 10 12  2  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (6,219)
6219

>  <Formula> (6,219)
C16H12N2O2

>  <MolWeight> (6,219)
264.27868

>  <COMPOUND_NAME> (6,219)
CL-219782

>  <BAR_CODE_NO> (6,219)
90453299

$$$$
CL-236770
csChFnd80/06171916332D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -0.6138   -1.5553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6138   -0.0104    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.7074   -2.3304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9558   -2.3304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7074    0.7386    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9558    0.7386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7074   -3.8701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9558   -3.8701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7074    2.2836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6138   -4.6451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9558    3.1783    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5202    3.1783    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4773    4.6451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0416    4.6451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  7 10  2  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
  8 10  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (6,220)
6220

>  <Formula> (6,220)
C11H14N2S

>  <MolWeight> (6,220)
206.30726

>  <COMPOUND_NAME> (6,220)
CL-236770

>  <BAR_CODE_NO> (6,220)
90440909

$$$$
CL-2660
csChFnd80/06171916332D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -1.5941   -1.0653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5941    0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5079   -1.6929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6838   -1.6929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5079    0.8071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6838    0.8071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5749   -1.0653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7700   -1.0653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5749    0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5079    2.0657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7700    0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6576   -1.6929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6576    0.8071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7438    0.1830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6576    2.0657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8335    0.8071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9197    0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  2  0  0  0  0
  9 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
  7  9  1  0  0  0  0
  8 11  2  0  0  0  0
M  END
>  <Mol_ID> (6,221)
6221

>  <Formula> (6,221)
C12H10O5

>  <MolWeight> (6,221)
234.2048

>  <COMPOUND_NAME> (6,221)
CL-2660

>  <BAR_CODE_NO> (6,221)
90473782

$$$$
CL-69954
csChFnd80/06171916332D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -0.7065   -1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9573   -2.7927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5251   -2.7927    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7065   -0.3533    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4799   -4.2631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0430   -4.2631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6158    0.4010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6158    1.9430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9573    2.7163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9573    4.2631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  5  6  1  0  0  0  0
M  END
>  <Mol_ID> (6,222)
6222

>  <Formula> (6,222)
C7H14N2S

>  <MolWeight> (6,222)
158.26446

>  <COMPOUND_NAME> (6,222)
CL-69954

>  <BAR_CODE_NO> (6,222)
90439846

$$$$
CL-802
csChFnd80/06171916332D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -0.8955    0.6634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8996   -0.1616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3219    0.6593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3231   -0.1681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6082   -0.5810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6100    1.0720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1871    1.9009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1818    1.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6402    1.0753    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9846   -0.3736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1860   -0.5846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0291   -1.3800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5533   -1.9653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3539   -1.7497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5653   -0.9547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1606    0.4317    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7420    1.0217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8712    0.0217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  8  9  1  0  0  0  0
  4  5  1  0  0  0  0
  5  2  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
  1  6  2  0  0  0  0
 12 13  2  0  0  0  0
  6  3  1  0  0  0  0
 13 14  1  0  0  0  0
  1  2  1  0  0  0  0
 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
  8  7  2  0  0  0  0
 16 10  1  0  0  0  0
  3  4  2  0  0  0  0
 16 17  2  0  0  0  0
  1  8  1  0  0  0  0
 16 18  2  0  0  0  0
  9 16  1  0  0  0  0
M  END
>  <Mol_ID> (6,223)
6223

>  <Formula> (6,223)
C13H11NO3S

>  <MolWeight> (6,223)
261.29634

>  <COMPOUND_NAME> (6,223)
CL-802

>  <BAR_CODE_NO> (6,223)
90473750

$$$$
GI-566974
csChFnd80/06171916332D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -2.1070    1.3050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9897   -0.2648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6847    1.8346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4271    0.5447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1070    2.8597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4539   -0.5939    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.3404    0.7452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7662    1.3391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4120    3.6352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1740   -1.9973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7662    2.8749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7098   -2.1486    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4020   -3.5520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5344   -0.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9227   -3.6352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1043   -0.9911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7662   -2.3302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
  6  7  1  0  0  0  0
  9 11  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (6,224)
6224

>  <Formula> (6,224)
C14H25NO2

>  <MolWeight> (6,224)
239.3538

>  <COMPOUND_NAME> (6,224)
GI-566974

>  <BAR_CODE_NO> (6,224)
90440024

$$$$
GI-568595
csChFnd80/06171916332D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -1.8032    0.4130    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.3304    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0215   -0.5300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2300    1.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7296    1.0599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1170   -1.5004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2948    0.3648    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0215   -2.1474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7992    1.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2437    0.6745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5830   -1.8858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7470   -0.1789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7215    3.1385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6567   -0.7915    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0429   -1.7482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9721    0.7915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1433   -1.1425    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5021   -2.3470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4243    0.2615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6300   -1.5004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5081    0.3648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7854   -2.6429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6721   -1.3077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1118   -2.9871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6762   -0.3992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6122   -3.3174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1766   -0.7433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6721   -2.1818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  9 13  2  0  0  0  0
 10 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 17 21  2  0  0  0  0
 17 22  2  0  0  0  0
 18 23  1  0  0  0  0
 20 24  2  0  0  0  0
 20 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  2  0  0  0  0
 26 28  2  0  0  0  0
  7  9  1  0  0  0  0
 11 14  1  0  0  0  0
 19 23  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (6,225)
6225

>  <Formula> (6,225)
C20H21N3O4S

>  <MolWeight> (6,225)
399.46344

>  <COMPOUND_NAME> (6,225)
GI-568595

>  <BAR_CODE_NO> (6,225)
298381

$$$$
WAY-114193
csChFnd80/06171916332D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -0.0009   -0.2895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3009   -0.8653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3388    0.2485    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6612   -0.4170    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9388   -0.9515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1612   -1.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0388    0.8485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7612   -1.0412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1837   -1.5860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3388   -0.4757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0612   -1.9757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5991    0.8485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3595    1.3830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7837   -2.0653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9405    1.3830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0388    1.9588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0216   -2.6653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5991    1.9588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9612    2.5243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5991    2.4968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  7 13  2  0  0  0  0
  9 14  1  0  0  0  0
 12 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
  6  8  1  0  0  0  0
 16 18  2  0  0  0  0
M  END
>  <Mol_ID> (6,226)
6226

>  <Formula> (6,226)
C14H15NO4S

>  <MolWeight> (6,226)
293.3382

>  <COMPOUND_NAME> (6,226)
WAY-114193

>  <BAR_CODE_NO> (6,226)
90439837

$$$$
WAY-119024
csChFnd80/06171916332D

 17 19  0  0  0  0  0  0  0  0999 V2000
    0.5461   -0.1309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3836    0.3441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0128   -0.2559    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7461    0.7066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1253   -0.4267    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0997    0.3441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2128    0.5733    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2539   -0.1309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3503    0.1066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5836    1.2191    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7539   -0.2767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8753   -0.0267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1164    0.1066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8997   -0.7559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3747   -0.8767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5997   -0.0267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7372   -0.4934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  9  1  0  0  0  0
  8  5  1  0  0  0  0
  9  3  2  0  0  0  0
 10  4  2  0  0  0  0
 11  8  1  0  0  0  0
 12  9  1  0  0  0  0
 13 11  1  0  0  0  0
 14 11  2  0  0  0  0
 15 14  1  0  0  0  0
 16 13  2  0  0  0  0
 17 15  2  0  0  0  0
  6  8  2  0  0  0  0
  4  7  1  0  0  0  0
 17 16  1  0  0  0  0
M  END
>  <Mol_ID> (6,227)
6227

>  <Formula> (6,227)
C13H10N2S2

>  <MolWeight> (6,227)
258.3619

>  <COMPOUND_NAME> (6,227)
WAY-119024

>  <BAR_CODE_NO> (6,227)
90453341

$$$$
WAY-247671
csChFnd80/06171916332D

 13 14  0  0  0  0  0  0  0  0999 V2000
    0.4273    0.6348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3106    0.6348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4376   -0.7583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5480    2.0865    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3141    2.0865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4313   -0.7583    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.1273   -0.3135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8411   -2.4066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2204    1.4796    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0175    1.6520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0969   -0.1652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4652   -1.4583    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8969   -2.7135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
  7  9  1  0  0  0  0
 10 11  2  0  0  0  0
M  END
>  <Mol_ID> (6,228)
6228

>  <Formula> (6,228)
C8H9N3S2

>  <MolWeight> (6,228)
211.30716

>  <COMPOUND_NAME> (6,228)
WAY-247671

>  <BAR_CODE_NO> (6,228)
90439864

$$$$
WAY-294627
csChFnd80/06171916332D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.3138    1.0880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3724    1.5294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1724   -0.1051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6172    1.7880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4897    2.6673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2965    0.8328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9241   -0.5637    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2793   -0.8327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7310    1.3466    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3966    2.7604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5724    3.1397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3690    1.3156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0931   -1.7258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8483    0.1638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4965    2.4535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1724   -2.1362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1759   -2.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3103   -0.3017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3379   -3.3051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3414   -3.6189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4138   -4.0465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
 11 15  1  0  0  0  0
 13 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  2  0  0  0  0
 19 21  2  0  0  0  0
  9 14  2  0  0  0  0
 12 15  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (6,229)
6229

>  <Formula> (6,229)
C18H16N2O

>  <MolWeight> (6,229)
276.33244

>  <COMPOUND_NAME> (6,229)
WAY-294627

>  <BAR_CODE_NO> (6,229)
90440440

$$$$
WAY-323237
csChFnd80/06171916332D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -1.2625   -0.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2625    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -0.7042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000    0.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208   -0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333   -0.4375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208    0.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2333   -0.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833    0.9208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5042    0.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167    0.3500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9125   -1.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3208    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3208    1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6208   -0.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3333   -1.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6000    0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1292   -0.1167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5875    0.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9542    0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4167    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0500   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9042    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5292   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4500   -0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  7  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  2  0  0  0  0
  8  2  1  0  0  0  0
  9 21  1  0  0  0  0
 10  6  1  0  0  0  0
 11  8  1  0  0  0  0
 12  9  1  0  0  0  0
 13  5  1  0  0  0  0
 14  6  2  0  0  0  0
 15  8  2  0  0  0  0
 16 11  1  0  0  0  0
 17 10  1  0  0  0  0
 18 14  1  0  0  0  0
 19 15  1  0  0  0  0
 20  9  2  0  0  0  0
 21 13  1  0  0  0  0
 22 12  1  0  0  0  0
 23 27  1  0  0  0  0
 24 22  2  0  0  0  0
 25 22  1  0  0  0  0
 26 24  1  0  0  0  0
 27 25  2  0  0  0  0
 28 23  1  0  0  0  0
 29 28  1  0  0  0  0
 17 18  2  0  0  0  0
  5  4  2  0  0  0  0
 16 19  2  0  0  0  0
 23 26  2  0  0  0  0
M  END
>  <Mol_ID> (6,230)
6230

>  <Formula> (6,230)
C21H18N4O3S

>  <MolWeight> (6,230)
406.45762

>  <COMPOUND_NAME> (6,230)
WAY-323237

>  <BAR_CODE_NO> (6,230)
298238

$$$$
WAY-323240
csChFnd80/06171916332D

 25 28  0  0  0  0  0  0  0  0999 V2000
    1.4292    0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167   -0.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167    0.9458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4708    1.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1458    0.1333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1125    2.0208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2167   -0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2333    1.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2167    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2458    0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667    0.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3125    1.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7375   -2.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208    3.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2292   -1.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2500    2.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2292    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2833   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5292   -2.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6000   -2.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4708    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500    1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2375   -0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2708    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2375    0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4 12  1  0  0  0  0
  5  4  2  0  0  0  0
  6  4  1  0  0  0  0
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9  3  1  0  0  0  0
 10  5  1  0  0  0  0
 11  1  1  0  0  0  0
 12 11  1  0  0  0  0
 13  2  1  0  0  0  0
 14  6  1  0  0  0  0
 15  7  1  0  0  0  0
 16  8  1  0  0  0  0
 17  9  1  0  0  0  0
 18 10  1  0  0  0  0
 19 13  1  0  0  0  0
 20 13  1  0  0  0  0
 21 14  1  0  0  0  0
 22 16  2  0  0  0  0
 23 15  2  0  0  0  0
 24 18  2  0  0  0  0
 25 17  2  0  0  0  0
  7  9  2  0  0  0  0
 23 25  1  0  0  0  0
 10  8  2  0  0  0  0
 24 22  1  0  0  0  0
M  END
>  <Mol_ID> (6,231)
6231

>  <Formula> (6,231)
C20H23N5

>  <MolWeight> (6,231)
333.43012

>  <COMPOUND_NAME> (6,231)
WAY-323240

>  <BAR_CODE_NO> (6,231)
298241

$$$$
WAY-323259
csChFnd80/06171916332D

 31 34  0  0  0  0  0  0  0  0999 V2000
    4.9042    1.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0875    1.8333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2167    1.1208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6000    0.5833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8792    1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9875   -2.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3542    2.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000   -1.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167   -2.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1042    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208   -2.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167   -3.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1000   -3.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958   -3.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0542    3.3583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208   -4.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2167   -0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2042    2.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9875   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6375   -2.5292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7042    3.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542   -1.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000   -2.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4042    3.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9958   -4.3542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000   -4.2667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4542    1.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7000    0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5708   -4.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5667    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8500   -4.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  8  1  0  0  0  0
  7  1  1  0  0  0  0
  8 17  1  0  0  0  0
  9  6  1  0  0  0  0
 10  5  1  0  0  0  0
 11 23  2  0  0  0  0
 12 13  2  0  0  0  0
 13  9  1  0  0  0  0
 14 11  1  0  0  0  0
 15  7  1  0  0  0  0
 16 14  1  0  0  0  0
 17 19  2  0  0  0  0
 18  7  2  0  0  0  0
 19 10  1  0  0  0  0
 20  6  2  0  0  0  0
 21 15  1  0  0  0  0
 22  9  2  0  0  0  0
 23 22  1  0  0  0  0
 24 18  1  0  0  0  0
 25 16  2  0  0  0  0
 26 12  1  0  0  0  0
 27 10  2  0  0  0  0
 28 27  1  0  0  0  0
 29 16  1  0  0  0  0
 30 28  2  0  0  0  0
 31 26  1  0  0  0  0
  4  5  2  0  0  0  0
 21 24  2  0  0  0  0
 17 30  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (6,232)
6232

>  <Formula> (6,232)
C22H17N3O6

>  <MolWeight> (6,232)
419.38688

>  <COMPOUND_NAME> (6,232)
WAY-323259

>  <BAR_CODE_NO> (6,232)
298260

$$$$
WAY-323260
csChFnd80/06171916332D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.4667    3.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667    2.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0958    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0500    2.4583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0958    3.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0958    1.7958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6500    2.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6500    3.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6500    1.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0958    4.3667    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.6500    0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0500    3.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042    2.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0958    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2125    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042    3.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2125   -0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0958   -0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6500   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  2  2  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  8  1  0  0  0  0
  8  5  2  0  0  0  0
  9  6  1  0  0  0  0
 10  5  1  0  0  0  0
 11  9  1  0  0  0  0
 12  1  2  0  0  0  0
 13 16  2  0  0  0  0
 14 11  1  0  0  0  0
 15 11  2  0  0  0  0
 16 12  1  0  0  0  0
 17 15  1  0  0  0  0
 18 14  2  0  0  0  0
 19 17  2  0  0  0  0
  4 13  1  0  0  0  0
  3  7  2  0  0  0  0
 19 18  1  0  0  0  0
M  END
>  <Mol_ID> (6,233)
6233

>  <Formula> (6,233)
C16H12BrNO

>  <MolWeight> (6,233)
314.17658

>  <COMPOUND_NAME> (6,233)
WAY-323260

>  <BAR_CODE_NO> (6,233)
298261

$$$$
WAY-323282
csChFnd80/06171916332D

 19 21  0  0  0  0  0  0  0  0999 V2000
    1.0475    0.4149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1061   -0.1817    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0111   -0.1817    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0475    1.6666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1337   -1.4023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1648    0.4425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0697    0.4149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0111    2.2632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1648   -2.0023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2234   -0.1541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1008   -0.2092    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0697    1.6390    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0165    3.4839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2234   -1.4023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1870    0.3873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1008   -1.4299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2215   -0.2368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1352   -2.0541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2215   -1.4575    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
  8 12  2  0  0  0  0
 10 14  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (6,234)
6234

>  <Formula> (6,234)
C13H20N4O2

>  <MolWeight> (6,234)
264.3235

>  <COMPOUND_NAME> (6,234)
WAY-323282

>  <BAR_CODE_NO> (6,234)
298283

$$$$
WAY-323291
csChFnd80/06171916332D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -1.4458   -1.9542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8625   -2.6667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8333   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6833   -2.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0833   -1.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6625   -1.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4125   -0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5958   -0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958   -1.2792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1125   -3.3542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6167   -1.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1708    0.1458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0167   -2.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8375   -2.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4625   -3.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2375   -2.7542    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.9125   -1.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0500   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8667   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0500   -0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667   -1.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3000   -1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8833   -0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  6  2  0  0  0  0
  6  3  1  0  0  0  0
  7  3  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  4  2  0  0  0  0
 11  9  1  0  0  0  0
 12  8  2  0  0  0  0
 13 11  2  0  0  0  0
 14 13  1  0  0  0  0
 15  2  1  0  0  0  0
 16 14  1  0  0  0  0
 17  5  1  0  0  0  0
 18  6  1  0  0  0  0
 19 20  2  0  0  0  0
 20 11  1  0  0  0  0
 21 19  1  0  0  0  0
 22 23  1  0  0  0  0
 23 18  2  0  0  0  0
  5  4  1  0  0  0  0
 17 22  2  0  0  0  0
 21 14  2  0  0  0  0
M  END
>  <Mol_ID> (6,235)
6235

>  <Formula> (6,235)
C17H14ClN3O2

>  <MolWeight> (6,235)
327.76496

>  <COMPOUND_NAME> (6,235)
WAY-323291

>  <BAR_CODE_NO> (6,235)
298292

$$$$
WAY-323304
csChFnd80/06171916332D

 22 24  0  0  0  0  0  0  0  0999 V2000
    3.4125    2.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4125    4.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9875    2.8208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9875    4.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5042    1.9333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5042    5.0417    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.8667    4.7417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.8667    2.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    6.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4667    3.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7375    1.1458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8667    6.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500    7.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6375    9.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9667    8.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5917    8.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0667   10.4250    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.4125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9875    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  6  1  0  0  0  0
 10  7  1  0  0  0  0
 11  3  1  0  0  0  0
 12  9  1  0  0  0  0
 13  9  2  0  0  0  0
 14  5  1  0  0  0  0
 15 10  1  0  0  0  0
 16 10  2  0  0  0  0
 17 18  2  0  0  0  0
 18 16  1  0  0  0  0
 19 15  2  0  0  0  0
 20 17  1  0  0  0  0
 21 11  1  0  0  0  0
 22 11  1  0  0  0  0
  4  5  2  0  0  0  0
  8 12  1  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (6,236)
6236

>  <Formula> (6,236)
C15H16BrN3O2S

>  <MolWeight> (6,236)
382.27544

>  <COMPOUND_NAME> (6,236)
WAY-323304

>  <BAR_CODE_NO> (6,236)
298305

$$$$
WAY-323314
csChFnd80/06171916332D

 29 32  0  0  0  0  0  0  0  0999 V2000
    4.7750    4.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7750    6.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5417    4.1917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3417    4.9167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3417    6.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8667    4.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8667    7.1542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2292    6.8667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2292    4.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5542    8.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5417    2.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8292    5.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1000    3.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3542    7.2667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2250    8.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6167    9.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9917   11.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3250   10.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9042   10.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6917   12.5875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7750    2.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3417    2.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3375   12.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3417   11.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9875   11.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7750    0.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3417    0.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5417    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  6  1  0  0  0  0
 10  7  1  0  0  0  0
 11  3  1  0  0  0  0
 12  9  1  0  0  0  0
 13  9  2  0  0  0  0
 14  5  1  0  0  0  0
 15 10  1  0  0  0  0
 16 10  2  0  0  0  0
 17 18  2  0  0  0  0
 18 16  1  0  0  0  0
 19 15  2  0  0  0  0
 20 17  1  0  0  0  0
 21 11  1  0  0  0  0
 22 11  1  0  0  0  0
 23 20  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 21  1  0  0  0  0
 28 22  1  0  0  0  0
 29 28  1  0  0  0  0
  4  5  2  0  0  0  0
  8 12  1  0  0  0  0
 29 27  1  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (6,237)
6237

>  <Formula> (6,237)
C22H29N3O3S

>  <MolWeight> (6,237)
415.54896

>  <COMPOUND_NAME> (6,237)
WAY-323314

>  <BAR_CODE_NO> (6,237)
298315

$$$$
WAY-323323
csChFnd80/06171916332D

 35 39  0  0  0  0  0  0  0  0999 V2000
    1.7667   -4.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2542   -4.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667   -5.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2542   -5.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042   -4.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042   -5.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292   -4.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -4.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292   -5.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -5.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7292   -5.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667   -5.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667   -4.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7292   -4.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042   -3.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0167   -3.2667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0500   -3.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1875   -2.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042   -2.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -0.7875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -1.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0667    0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0792   -0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1792   -2.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8000   -2.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0667    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7875    1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7875    1.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542    1.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7167   -6.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4375   -4.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208   -4.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667   -6.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0667    3.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  2  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  3  1  0  0  0  0
 10  4  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
 13  7  1  0  0  0  0
 14  8  1  0  0  0  0
 15  5  1  0  0  0  0
 16  8  2  0  0  0  0
 17  7  2  0  0  0  0
 18 15  1  0  0  0  0
 19 15  2  0  0  0  0
 20 21  1  0  0  0  0
 21 25  2  0  0  0  0
 22 23  1  0  0  0  0
 23 20  1  0  0  0  0
 24 18  2  0  0  0  0
 25 19  1  0  0  0  0
 26 30  1  0  0  0  0
 27 22  2  0  0  0  0
 28 22  1  0  0  0  0
 29 27  1  0  0  0  0
 30 28  2  0  0  0  0
 31 11  1  0  0  0  0
 32 11  1  0  0  0  0
 33 12  1  0  0  0  0
 34 12  1  0  0  0  0
 35 26  1  0  0  0  0
  4  6  1  0  0  0  0
 12  9  1  0  0  0  0
 24 21  1  0  0  0  0
 10 11  1  0  0  0  0
 26 29  2  0  0  0  0
M  END
>  <Mol_ID> (6,238)
6238

>  <Formula> (6,238)
C31H34O4

>  <MolWeight> (6,238)
470.59926

>  <COMPOUND_NAME> (6,238)
WAY-323323

>  <BAR_CODE_NO> (6,238)
298324

$$$$
WAY-323326
csChFnd80/06171916332D

 35 39  0  0  0  0  0  0  0  0999 V2000
    1.7500   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2500   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7500   -4.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2500   -4.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -3.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -4.7292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042   -3.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9792   -3.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042   -4.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9792   -4.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7042   -4.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542   -4.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7042   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -2.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -2.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292   -2.2667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0542    1.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0542    0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1667   -1.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8000   -1.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7667    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4792    0.1708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4792   -0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792   -1.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1542   -1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7042   -5.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4167   -3.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333   -3.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2500   -5.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3375    1.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4792    1.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7667    2.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3375    2.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0500    3.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  2  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  3  1  0  0  0  0
 10  4  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
 13  7  1  0  0  0  0
 14  8  1  0  0  0  0
 15  5  1  0  0  0  0
 16  8  2  0  0  0  0
 17  7  2  0  0  0  0
 18 19  1  0  0  0  0
 19 23  1  0  0  0  0
 20 15  1  0  0  0  0
 21 15  2  0  0  0  0
 22 18  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 21  1  0  0  0  0
 26 20  2  0  0  0  0
 27 11  1  0  0  0  0
 28 11  1  0  0  0  0
 29 12  1  0  0  0  0
 30 12  1  0  0  0  0
 31 18  1  0  0  0  0
 32 22  1  0  0  0  0
 33 22  1  0  0  0  0
 34 31  2  0  0  0  0
 35 34  1  0  0  0  0
  4  6  1  0  0  0  0
 12  9  1  0  0  0  0
 26 24  1  0  0  0  0
 10 11  1  0  0  0  0
 35 33  2  0  0  0  0
M  END
>  <Mol_ID> (6,239)
6239

>  <Formula> (6,239)
C31H34O4

>  <MolWeight> (6,239)
470.59926

>  <COMPOUND_NAME> (6,239)
WAY-323326

>  <BAR_CODE_NO> (6,239)
298327

$$$$
WAY-323335-A
csChFnd80/06171916332D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -0.5333    1.6458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2500    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333    3.4458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2500    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3125    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3125    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2500    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292    1.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292   -1.0542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3125    0.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292    3.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2500   -0.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5667   -1.9792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5875    1.6000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.0708    1.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0708    3.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042   -0.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042   -1.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7875   -2.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5667   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8500    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8500    3.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  7  1  0  0  0  0
  4  2  2  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  2  0  0  0  0
  8  5  1  0  0  0  0
  9  2  1  0  0  0  0
 10 13  1  0  0  0  0
 11  5  2  0  0  0  0
 12  4  1  0  0  0  0
 13  8  1  0  0  0  0
 14 22  1  0  0  0  0
 15  9  2  0  0  0  0
 16 15  1  0  0  0  0
 17 15  1  0  0  0  0
 18  6  1  0  0  0  0
 19  7  1  0  0  0  0
 20 10  1  0  0  0  0
 21 10  1  0  0  0  0
 22 21  1  0  0  0  0
 23 20  1  0  0  0  0
 24 18  2  0  0  0  0
 25 24  1  0  0  0  0
  4  3  1  0  0  0  0
 25 19  2  0  0  0  0
 12 16  2  0  0  0  0
 23 14  1  0  0  0  0
M  END
>  <Mol_ID> (6,240)
6240

>  <Formula> (6,240)
C19H19ClN2O2S

>  <MolWeight> (6,240)
374.88436

>  <COMPOUND_NAME> (6,240)
WAY-323335-A

>  <BAR_CODE_NO> (6,240)
298336

$$$$
WAY-323400
csChFnd80/06171916332D

 24 27  0  0  0  0  0  0  0  0999 V2000
    0.8031   -0.5095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8481    0.2285    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5079   -0.4465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4841    0.5975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1251   -0.8515    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5079    0.3395    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4181   -0.9265    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1529   -0.8215    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1621    0.1685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8009    0.3395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1529    0.7055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8009   -0.4465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0991   -0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4429    0.7055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4429   -0.8215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4841    1.3565    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0969    0.3395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0969   -0.4465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8131    0.5075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1529    1.4465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7471   -0.9895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7149    0.6755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4581    0.0905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4281   -0.6535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  5  1  0  0  0  0
  4  2  2  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  1  7  2  0  0  0  0
  8  3  2  0  0  0  0
  9 13  1  0  0  0  0
 10 12  2  0  0  0  0
  6 11  2  0  0  0  0
 12  8  1  0  0  0  0
 13  7  1  0  0  0  0
 14 10  1  0  0  0  0
 15 12  1  0  0  0  0
 16  4  1  0  0  0  0
 17 18  1  0  0  0  0
 18 15  2  0  0  0  0
 19  9  2  0  0  0  0
 20 11  1  0  0  0  0
 13 21  2  0  0  0  0
 22 17  1  0  0  0  0
 24 23  2  0  0  0  0
 24 21  1  0  0  0  0
  4  9  1  0  0  0  0
 10 11  1  0  0  0  0
 19 23  1  0  0  0  0
 14 17  2  0  0  0  0
M  END
>  <Mol_ID> (6,241)
6241

>  <Formula> (6,241)
C18H15N5O

>  <MolWeight> (6,241)
317.3446

>  <COMPOUND_NAME> (6,241)
WAY-323400

>  <BAR_CODE_NO> (6,241)
298401

$$$$
WAY-323402
csChFnd80/06171916332D

 23 25  0  0  0  0  0  0  0  0999 V2000
    0.3792   -0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792    0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542   -0.2875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1792   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7792    0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458   -0.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1792    0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2458    0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458   -0.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2458   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458    0.4500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6458    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6458   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0458    0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0458   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667    1.0708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000   -0.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458    1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    0.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5125   -0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  7  1  0  0  0  0
  5  3  2  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  5  1  0  0  0  0
  9 13  1  0  0  0  0
 10  4  2  0  0  0  0
 11 10  1  0  0  0  0
 12  4  1  0  0  0  0
 13 12  2  0  0  0  0
 14  9  1  0  0  0  0
 15 11  1  0  0  0  0
 16 14  2  0  0  0  0
 17 15  2  0  0  0  0
 18  6  1  0  0  0  0
 19  5  1  0  0  0  0
 20  8  1  0  0  0  0
 21 13  1  0  0  0  0
 22 16  1  0  0  0  0
 23 17  1  0  0  0  0
  6  8  2  0  0  0  0
  9 11  2  0  0  0  0
 17 16  1  0  0  0  0
M  END
>  <Mol_ID> (6,242)
6242

>  <Formula> (6,242)
C16H17N5O2

>  <MolWeight> (6,242)
311.33848

>  <COMPOUND_NAME> (6,242)
WAY-323402

>  <BAR_CODE_NO> (6,242)
298403

$$$$
WAY-323406
csChFnd80/06171916332D

 18 20  0  0  0  0  0  0  0  0999 V2000
    1.2893   -0.5899    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4582   -0.5899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8582   -0.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6582   -1.3140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1444    0.1653    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1590   -1.1209    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5893   -0.3830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7410    0.8101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4789   -1.1830    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2789   -2.0519    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6590    0.1170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8590   -0.6899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3107    0.6274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2073    1.4481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0935    0.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8556    1.9619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7418    0.8274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6107    1.6481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
  7  9  1  0  0  0  0
 11 12  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (6,243)
6243

>  <Formula> (6,243)
C12H9N3OS2

>  <MolWeight> (6,243)
275.34936

>  <COMPOUND_NAME> (6,243)
WAY-323406

>  <BAR_CODE_NO> (6,243)
298407

$$$$
WAY-323430
csChFnd80/06171916332D

 34 38  0  0  0  0  0  0  0  0999 V2000
    4.7042   -3.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1042   -2.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7042   -3.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3042   -2.9167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5042   -3.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1000   -4.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9042   -3.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5042   -3.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2792   -3.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0917   -3.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4917   -2.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3042   -4.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9000   -2.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7042   -2.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9000   -3.9542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2792   -3.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6792   -4.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3042   -3.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7042   -2.9125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8750   -4.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9000   -4.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1125   -1.8667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0875   -3.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6792   -2.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1042   -2.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3125   -2.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3042   -3.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7125   -1.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3125   -1.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8667   -4.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4750   -3.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0667   -4.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4667   -5.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0667   -5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8  6  1  0  0  0  0
  9 16  1  0  0  0  0
 10 11  1  0  0  0  0
 11  7  1  0  0  0  0
 12  3  2  0  0  0  0
 13  5  2  0  0  0  0
 14 19  1  0  0  0  0
 15  7  2  0  0  0  0
 16 24  1  0  0  0  0
 17 23  1  0  0  0  0
 18 13  1  0  0  0  0
 19 18  1  0  0  0  0
 20  9  1  0  0  0  0
 21  8  2  0  0  0  0
 22 14  2  0  0  0  0
 23 10  1  0  0  0  0
 24 10  1  0  0  0  0
 25  2  1  0  0  0  0
 26  4  1  0  0  0  0
 27 21  1  0  0  0  0
 28 26  1  0  0  0  0
 29 14  1  0  0  0  0
 30 20  2  0  0  0  0
 31 20  1  0  0  0  0
 32 31  2  0  0  0  0
 33 30  1  0  0  0  0
 34 32  1  0  0  0  0
 25 28  1  0  0  0  0
  8  5  1  0  0  0  0
 27 18  2  0  0  0  0
  9 17  1  0  0  0  0
 34 33  2  0  0  0  0
M  END
>  <Mol_ID> (6,244)
6244

>  <Formula> (6,244)
C26H27N3O5

>  <MolWeight> (6,244)
461.50968

>  <COMPOUND_NAME> (6,244)
WAY-323430

>  <BAR_CODE_NO> (6,244)
298431

$$$$
WAY-323496
csChFnd80/06171916332D

 32 36  0  0  0  0  0  0  0  0999 V2000
   -1.5625   -0.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5500   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0708   -1.1167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0500   -1.1167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458   -0.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208    0.0208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5708   -0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5708   -0.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0625    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0458    0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0833   -1.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4875    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208   -1.1292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0708    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542   -0.4875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000    0.5458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0625    0.6333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0500   -1.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5958   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5958   -0.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5167    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5167    0.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0167    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0375    1.1500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.0958   -1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5208   -2.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5708   -2.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -2.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458   -2.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  6  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7  2  1  0  0  0  0
  8  9  1  0  0  0  0
  9  4  2  0  0  0  0
 10  3  1  0  0  0  0
 11  3  1  0  0  0  0
 12  9  1  0  0  0  0
 13  7  1  0  0  0  0
 14  6  2  0  0  0  0
 15  8  1  0  0  0  0
 16  7  2  0  0  0  0
 17  7  2  0  0  0  0
 18 10  2  0  0  0  0
 19  5  1  0  0  0  0
 20 21  1  0  0  0  0
 21 12  2  0  0  0  0
 22 13  1  0  0  0  0
 23 13  2  0  0  0  0
 24 25  2  0  0  0  0
 25 23  1  0  0  0  0
 26 22  2  0  0  0  0
 27 24  1  0  0  0  0
 28 12  1  0  0  0  0
 29 19  1  0  0  0  0
 30 19  1  0  0  0  0
 31 30  1  0  0  0  0
 32 29  1  0  0  0  0
  2 11  2  0  0  0  0
  8 10  1  0  0  0  0
 31 32  1  0  0  0  0
 15 20  2  0  0  0  0
 24 26  1  0  0  0  0
M  END
>  <Mol_ID> (6,245)
6245

>  <Formula> (6,245)
C23H21ClN4O3S

>  <MolWeight> (6,245)
468.95584

>  <COMPOUND_NAME> (6,245)
WAY-323496

>  <BAR_CODE_NO> (6,245)
298497

$$$$
WAY-323525
csChFnd80/06171916332D

 25 27  0  0  0  0  0  0  0  0999 V2000
    1.1500   -0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542   -1.7042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4958    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8125    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0708    2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9125    2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3042   -1.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1500    1.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3375   -0.7667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8167   -0.3792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5292   -0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0875    0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000    1.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8375   -2.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6500    0.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9708    0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208    0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1708    0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5667   -3.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6542   -2.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9708   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5625   -0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000   -2.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1042   -3.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9500   -3.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  4  1  0  0  0  0
  4 13  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  2  1  0  0  0  0
  8  3  1  0  0  0  0
  9  1  1  0  0  0  0
 10  1  1  0  0  0  0
 11 10  1  0  0  0  0
 12  9  1  0  0  0  0
 13 17  1  0  0  0  0
 14  7  1  0  0  0  0
 15 12  2  0  0  0  0
 16  8  1  0  0  0  0
 17 12  1  0  0  0  0
 18 16  1  0  0  0  0
 19 14  2  0  0  0  0
 20 14  1  0  0  0  0
 21 18  1  0  0  0  0
 22 18  1  0  0  0  0
 23 20  2  0  0  0  0
 24 19  1  0  0  0  0
 25 23  1  0  0  0  0
 11  7  2  0  0  0  0
 25 24  2  0  0  0  0
  8  6  2  0  0  0  0
M  END
>  <Mol_ID> (6,246)
6246

>  <Formula> (6,246)
C17H19N5OS2

>  <MolWeight> (6,246)
373.49566

>  <COMPOUND_NAME> (6,246)
WAY-323525

>  <BAR_CODE_NO> (6,246)
298526

$$$$
WAY-323534
csChFnd80/06171916332D

 25 28  0  0  0  0  0  0  0  0999 V2000
    3.2375   -3.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2375   -4.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5292   -4.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8792   -5.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5167   -3.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8792   -3.5167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5167   -4.8792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5292   -3.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0875   -4.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542   -2.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1792   -5.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8792   -5.7542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9167   -2.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -2.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0500   -1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1792   -5.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4875   -1.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7542   -1.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1792   -3.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8792   -0.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5292   -6.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8292   -6.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5167   -6.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8167   -6.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1667   -7.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  8  2  0  0  0  0
  4  2  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9  5  1  0  0  0  0
 10  5  1  0  0  0  0
 11  3  1  0  0  0  0
 12  4  2  0  0  0  0
 13 10  1  0  0  0  0
 14 10  2  0  0  0  0
 15 17  2  0  0  0  0
 16 11  1  0  0  0  0
 17 14  1  0  0  0  0
 18 13  2  0  0  0  0
 19  8  1  0  0  0  0
 20 15  1  0  0  0  0
 21 16  2  0  0  0  0
 22 16  1  0  0  0  0
 23 21  1  0  0  0  0
 24 22  2  0  0  0  0
 25 24  1  0  0  0  0
  7  9  2  0  0  0  0
  3  4  1  0  0  0  0
 15 18  1  0  0  0  0
 23 25  2  0  0  0  0
M  END
>  <Mol_ID> (6,247)
6247

>  <Formula> (6,247)
C20H16ClN3O

>  <MolWeight> (6,247)
349.81354

>  <COMPOUND_NAME> (6,247)
WAY-323534

>  <BAR_CODE_NO> (6,247)
298535

$$$$
WAY-323543
csChFnd80/06171916332D

 25 27  0  0  0  0  0  0  0  0999 V2000
    1.4167   -1.3792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292   -0.9667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2667    0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9875   -0.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8292   -2.0917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042   -0.6667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042   -1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5542   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8500   -1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167   -0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2667    1.1083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5542   -0.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8375    0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7000    0.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083   -1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042   -2.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4042   -0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6375    1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208   -1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083   -3.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1667    0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2500    1.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208   -2.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0917    1.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4792    0.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  8  1  0  0  0  0
  4  3  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  2  0  0  0  0
  7  1  1  0  0  0  0
  8 13  1  0  0  0  0
  9  2  1  0  0  0  0
 10  2  1  0  0  0  0
 11  3  2  0  0  0  0
 12  9  1  0  0  0  0
 13 10  1  0  0  0  0
 14  4  1  0  0  0  0
 15  7  2  0  0  0  0
 16  7  1  0  0  0  0
 17 14  1  0  0  0  0
 18 14  1  0  0  0  0
 19 15  1  0  0  0  0
 20 16  2  0  0  0  0
 21 17  1  0  0  0  0
 22 18  1  0  0  0  0
 23 20  1  0  0  0  0
 24 22  1  0  0  0  0
 25 21  1  0  0  0  0
  8 12  1  0  0  0  0
 23 19  2  0  0  0  0
 25 24  1  0  0  0  0
M  END
>  <Mol_ID> (6,248)
6248

>  <Formula> (6,248)
C19H28N2O3S

>  <MolWeight> (6,248)
364.50222

>  <COMPOUND_NAME> (6,248)
WAY-323543

>  <BAR_CODE_NO> (6,248)
298544

$$$$
WAY-323625
csChFnd80/06171916332D

 22 24  0  0  0  0  0  0  0  0999 V2000
    2.5375   -1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500   -1.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3500   -1.9292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5792   -0.5167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7542   -0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9000   -2.3167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.8792   -1.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167   -1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042   -1.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6875   -1.4167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.8000   -2.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4667    0.3833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9875   -2.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3167   -1.6792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0875   -3.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000   -0.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4375   -2.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5667   -3.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9042   -3.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2000   -3.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8667   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6792   -4.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  7  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  2  0  0  0  0
  8  2  1  0  0  0  0
  9  6  1  0  0  0  0
 10  7  1  0  0  0  0
 11 13  1  0  0  0  0
 12  5  1  0  0  0  0
 13 10  1  0  0  0  0
 14 11  2  0  0  0  0
 15 11  1  0  0  0  0
 16  8  1  0  0  0  0
 17  9  1  0  0  0  0
 18 15  2  0  0  0  0
 19 15  1  0  0  0  0
 20 19  2  0  0  0  0
 21 18  1  0  0  0  0
 22 20  1  0  0  0  0
  9  8  2  0  0  0  0
  5  4  2  0  0  0  0
 22 21  2  0  0  0  0
M  END
>  <Mol_ID> (6,249)
6249

>  <Formula> (6,249)
C16H15N3OS2

>  <MolWeight> (6,249)
329.4398

>  <COMPOUND_NAME> (6,249)
WAY-323625

>  <BAR_CODE_NO> (6,249)
298626

$$$$
WAY-323653
csChFnd80/06171916332D

 23 25  0  0  0  0  0  0  0  0999 V2000
    3.9167   -2.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -3.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5042   -2.8542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2167   -3.7667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6875   -3.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9167   -2.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9042   -1.6875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000   -3.6042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5167   -4.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3375   -4.9292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0500   -4.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7500   -4.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5667   -4.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2667   -3.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0792   -4.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4000   -4.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9667   -4.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0875   -4.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6500   -4.8167    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.1000   -4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3875   -3.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9500   -4.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6542   -5.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  2  0  0  0  0
  6  1  1  0  0  0  0
  7  6  3  0  0  0  0
  8  2  1  0  0  0  0
  9 15  1  0  0  0  0
 10  9  1  0  0  0  0
 11  9  2  0  0  0  0
 12 10  1  0  0  0  0
 13 11  1  0  0  0  0
 14  5  1  0  0  0  0
 15  8  1  0  0  0  0
 16 14  1  0  0  0  0
 17 16  1  0  0  0  0
 18 22  1  0  0  0  0
 19 18  1  0  0  0  0
 20 17  2  0  0  0  0
 21 17  1  0  0  0  0
 22 21  2  0  0  0  0
 23 20  1  0  0  0  0
  4  5  1  0  0  0  0
 13 12  2  0  0  0  0
 23 18  2  0  0  0  0
M  END
>  <Mol_ID> (6,250)
6250

>  <Formula> (6,250)
C16H12FN3O3

>  <MolWeight> (6,250)
313.2831832

>  <COMPOUND_NAME> (6,250)
WAY-323653

>  <BAR_CODE_NO> (6,250)
298654

$$$$
WAY-323676
csChFnd80/06171916332D

 27 30  0  0  0  0  0  0  0  0999 V2000
    9.6941    8.0767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4421    7.2855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5145    8.0943    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1161    6.8108    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7666    7.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6766    8.9030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6766    9.7176    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6569    7.0394    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3362    6.2658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7149    6.8108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0138    5.4982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.3889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1758    5.5685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1097    6.5296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5753    7.0746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8791    7.6079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7628    6.2717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2796    7.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0532    7.5844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5598    6.0373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1576    6.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6526    7.8657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9428    6.3596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5385    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7473    5.2169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1421    5.5626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5465    6.9339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  2  0  0  0  0
  6  1  1  0  0  0  0
  7  6  3  0  0  0  0
  8  2  1  0  0  0  0
  9 14  2  0  0  0  0
 10 16  2  0  0  0  0
 11  9  1  0  0  0  0
 12 10  1  0  0  0  0
 13 11  1  0  0  0  0
 14 18  1  0  0  0  0
 15  5  1  0  0  0  0
 16 22  1  0  0  0  0
 17 15  1  0  0  0  0
 18 19  1  0  0  0  0
 19  8  1  0  0  0  0
 20 17  1  0  0  0  0
 21 20  1  0  0  0  0
 22 18  2  0  0  0  0
 23 21  2  0  0  0  0
 24 25  1  0  0  0  0
 25 20  2  0  0  0  0
 26 24  2  0  0  0  0
 27 23  1  0  0  0  0
  4  5  1  0  0  0  0
  9 10  1  0  0  0  0
 26 23  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <Mol_ID> (6,251)
6251

>  <Formula> (6,251)
C20H17N3O4

>  <MolWeight> (6,251)
363.36668

>  <COMPOUND_NAME> (6,251)
WAY-323676

>  <BAR_CODE_NO> (6,251)
298677

$$$$
WAY-323697
csChFnd80/06171916332D

 25 28  0  0  0  0  0  0  0  0999 V2000
    4.2542   -4.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9667   -4.6667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6875   -4.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2542   -3.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6875   -3.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9792   -3.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5500   -4.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4042   -4.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5500   -3.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1167   -4.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8292   -4.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9792   -2.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8292   -5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4000   -5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8292   -4.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8375   -3.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1042   -5.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5500   -4.2542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5500   -5.9042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5500   -5.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167   -4.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2542   -4.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5375   -6.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8375   -5.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167   -5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  6  1  0  0  0  0
  6  4  1  0  0  0  0
  7  1  2  0  0  0  0
  8  3  1  0  0  0  0
  9  4  2  0  0  0  0
 10  8  1  0  0  0  0
 11 10  2  0  0  0  0
 12  6  2  0  0  0  0
 13 17  2  0  0  0  0
 14  8  2  0  0  0  0
 15  7  1  0  0  0  0
 16 15  2  0  0  0  0
 17 14  1  0  0  0  0
 18 11  1  0  0  0  0
 19 13  1  0  0  0  0
 20  7  1  0  0  0  0
 21 15  1  0  0  0  0
 22 18  1  0  0  0  0
 23 19  1  0  0  0  0
 24 20  2  0  0  0  0
 25 24  1  0  0  0  0
 16  9  1  0  0  0  0
  5  3  2  0  0  0  0
 25 21  2  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <Mol_ID> (6,252)
6252

>  <Formula> (6,252)
C21H16O4

>  <MolWeight> (6,252)
332.34934

>  <COMPOUND_NAME> (6,252)
WAY-323697

>  <BAR_CODE_NO> (6,252)
298698

$$$$
WAY-323744
csChFnd80/06171916332D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -1.0458   -1.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -2.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3792    2.5833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4708   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4708   -2.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9500   -1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0500   -1.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792   -0.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8792    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2292    2.0708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5375    3.0833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0125   -3.4167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0125   -0.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4292   -0.8167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8875    3.4208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333    0.0208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9458   -1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3542    0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8792    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9042    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9500   -3.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9833   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8792    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9458   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9125   -3.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4208   -2.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4208   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4 10  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  5  1  0  0  0  0
  8  1  1  0  0  0  0
  9  8  1  0  0  0  0
 10 20  1  0  0  0  0
 11  4  2  0  0  0  0
 12  4  2  0  0  0  0
 13  2  2  0  0  0  0
 14  3  2  0  0  0  0
 15  9  1  0  0  0  0
 16  4  1  0  0  0  0
 17  9  2  0  0  0  0
 18  7  2  0  0  0  0
 19 24  1  0  0  0  0
 20 25  2  0  0  0  0
 21 15  1  0  0  0  0
 22  6  2  0  0  0  0
 23  5  2  0  0  0  0
 24 21  2  0  0  0  0
 25 21  1  0  0  0  0
 26 23  1  0  0  0  0
 27 22  1  0  0  0  0
 28 18  1  0  0  0  0
 29 26  2  0  0  0  0
  6  7  1  0  0  0  0
 29 18  1  0  0  0  0
 27 28  2  0  0  0  0
 19 10  2  0  0  0  0
M  END
>  <Mol_ID> (6,253)
6253

>  <Formula> (6,253)
C20H15N3O5S

>  <MolWeight> (6,253)
409.4152

>  <COMPOUND_NAME> (6,253)
WAY-323744

>  <BAR_CODE_NO> (6,253)
298745

$$$$
WAY-323753
csChFnd80/06171916332D

 31 34  0  0  0  0  0  0  0  0999 V2000
    1.9292   -1.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9042   -2.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6500   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6167   -3.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1875   -1.4292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792   -2.7167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1042   -2.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4875   -1.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167   -3.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0167   -3.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9375   -2.3875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8500   -3.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000   -1.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167   -3.9542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2542   -4.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2167    0.9625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5167   -1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1875   -0.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833   -3.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6500    0.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2875   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8375   -5.1667    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8667   -0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0167    1.1708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2542   -3.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9000   -1.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3167   -2.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0792   -4.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6792   -0.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0792   -3.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5000   -3.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  8  1  0  0  0  0
  7  3  2  0  0  0  0
  8  5  1  0  0  0  0
  9  2  1  0  0  0  0
 10  4  1  0  0  0  0
 11  7  1  0  0  0  0
 12 10  1  0  0  0  0
 13  8  2  0  0  0  0
 14  9  2  0  0  0  0
 15 12  2  0  0  0  0
 16 20  2  0  0  0  0
 17 11  1  0  0  0  0
 18  5  1  0  0  0  0
 19  6  1  0  0  0  0
 20 23  1  0  0  0  0
 21 17  1  0  0  0  0
 22 15  1  0  0  0  0
 23 21  2  0  0  0  0
 24 16  1  0  0  0  0
 25 12  1  0  0  0  0
 26 27  1  0  0  0  0
 27 17  2  0  0  0  0
 28 15  1  0  0  0  0
 29 26  2  0  0  0  0
 30 25  2  0  0  0  0
 31 30  1  0  0  0  0
  7  4  1  0  0  0  0
  9  6  1  0  0  0  0
 23 29  1  0  0  0  0
 28 31  2  0  0  0  0
M  END
>  <Mol_ID> (6,254)
6254

>  <Formula> (6,254)
C21H18ClN5O4

>  <MolWeight> (6,254)
439.85172

>  <COMPOUND_NAME> (6,254)
WAY-323753

>  <BAR_CODE_NO> (6,254)
298754

$$$$
WAY-323756
csChFnd80/06171916332D

 30 34  0  0  0  0  0  0  0  0999 V2000
    0.5375   -0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9167    0.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3375   -0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3000    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6792    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542    1.1958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208   -0.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0708    0.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8333   -0.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6292   -0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5792   -1.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3667    1.4458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6167   -1.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3375    0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7375   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458   -1.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0500   -0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3292   -1.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0500   -1.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8708    0.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7875    2.3333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1000    1.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7542   -1.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1000   -2.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6875   -1.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5500    1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1125    1.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  6  2  0  0  0  0
  6  4  1  0  0  0  0
  7  1  1  0  0  0  0
  8  4  1  0  0  0  0
  9 10  1  0  0  0  0
 10  7  1  0  0  0  0
 11  2  1  0  0  0  0
 12  3  2  0  0  0  0
 13  5  1  0  0  0  0
 14 11  2  0  0  0  0
 15 11  1  0  0  0  0
 16  7  1  0  0  0  0
 17  7  1  0  0  0  0
 18 15  2  0  0  0  0
 19 14  1  0  0  0  0
 20 18  1  0  0  0  0
 21  8  1  0  0  0  0
 22  9  1  0  0  0  0
 23 25  1  0  0  0  0
 24 13  1  0  0  0  0
 25 24  1  0  0  0  0
 26 20  1  0  0  0  0
 27 17  1  0  0  0  0
 28 16  1  0  0  0  0
 29 21  2  0  0  0  0
 30 22  2  0  0  0  0
 28 27  1  0  0  0  0
  9  8  2  0  0  0  0
  5  2  1  0  0  0  0
 30 29  1  0  0  0  0
 20 19  2  0  0  0  0
M  END
>  <Mol_ID> (6,255)
6255

>  <Formula> (6,255)
C25H27N3O2

>  <MolWeight> (6,255)
401.50078

>  <COMPOUND_NAME> (6,255)
WAY-323756

>  <BAR_CODE_NO> (6,255)
298757

$$$$
WAY-323759
csChFnd80/06171916332D

 24 26  0  0  0  0  0  0  0  0999 V2000
   10.0453    3.7308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5773    6.2359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8267    4.8972    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6830    2.4955    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8304    5.1308    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7729    7.3544    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.6931    3.8093    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2286    4.8800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1079    2.4093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4476    5.5158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8893    3.5853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4304    6.8794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0496    5.0447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9467    6.2359    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.8272    6.2627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6496    5.0447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9296    6.0980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7438    1.1568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2966    4.7938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2391    7.5153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3296    6.0980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9873    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0172    5.4545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.8200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 14  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  2  2  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  3  1  0  0  0  0
  9  4  2  0  0  0  0
 10  5  1  0  0  0  0
 11  9  1  0  0  0  0
 12  6  1  0  0  0  0
 13  7  1  0  0  0  0
 14 16  1  0  0  0  0
 15 13  2  0  0  0  0
 16 13  1  0  0  0  0
 17  8  1  0  0  0  0
 18  9  1  0  0  0  0
 19 10  1  0  0  0  0
 20 12  1  0  0  0  0
 21 17  1  0  0  0  0
 22 18  1  0  0  0  0
 23 19  2  0  0  0  0
 24 20  2  0  0  0  0
  8 11  2  0  0  0  0
 10 12  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (6,256)
6256

>  <Formula> (6,256)
C15H14N4O3S2

>  <MolWeight> (6,256)
362.42666

>  <COMPOUND_NAME> (6,256)
WAY-323759

>  <BAR_CODE_NO> (6,256)
298760

$$$$
WAY-323876
csChFnd80/06171916332D

 16 18  0  0  0  0  0  0  0  0999 V2000
    5.7292    3.8833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0167    2.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7292    0.4375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7292    3.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7292    1.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8875    3.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6292    3.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7500    2.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8375    5.3792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5542    2.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9167    5.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000    3.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8625    4.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8625    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  2  1  0  0  0  0
  7  8  1  0  0  0  0
  8  6  2  0  0  0  0
  9  7  1  0  0  0  0
 10  7  2  0  0  0  0
 11  9  1  0  0  0  0
 12 10  1  0  0  0  0
 13  4  2  0  0  0  0
 14  5  2  0  0  0  0
 15 16  2  0  0  0  0
 16 13  1  0  0  0  0
  3  5  1  0  0  0  0
 15 14  1  0  0  0  0
 11 12  2  0  0  0  0
M  END
>  <Mol_ID> (6,257)
6257

>  <Formula> (6,257)
C13H10N2O

>  <MolWeight> (6,257)
210.2313

>  <COMPOUND_NAME> (6,257)
WAY-323876

>  <BAR_CODE_NO> (6,257)
298877

$$$$
WAY-323877
csChFnd80/06171916332D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -0.6000    0.1312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6000    0.4209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3310    0.0416    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8517   -0.0101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3310    0.5002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8517    0.5623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1621    0.2692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0897    0.1312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0897    0.4209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1172    0.2692    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2586    0.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5483    0.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6897   -0.2205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9690   -0.2205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5483   -0.4688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1172   -0.4688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6897   -0.7101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9690   -0.7101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  6  9  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
  5  7  2  0  0  0  0
  8  9  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (6,258)
6258

>  <Formula> (6,258)
C15H14N2S

>  <MolWeight> (6,258)
254.35006

>  <COMPOUND_NAME> (6,258)
WAY-323877

>  <BAR_CODE_NO> (6,258)
298878

$$$$
WAY-323878-A
csChFnd80/06171916332D

 19 21  0  0  0  0  0  0  0  0999 V2000
    6.9625    7.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6792    8.9542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6792    5.4792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6167    6.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6917    8.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0167    7.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5875    6.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5167    6.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2917    8.8125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2167    5.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4250    8.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000    6.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6792    1.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7542    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7542    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667    5.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667    9.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  8  1  0  0  0  0
  8  6  2  0  0  0  0
  9  7  1  0  0  0  0
 10  7  2  0  0  0  0
 11  9  1  0  0  0  0
 12 10  1  0  0  0  0
 13 14  1  0  0  0  0
 14  3  1  0  0  0  0
 15 13  2  0  0  0  0
 16  4  2  0  0  0  0
 17  5  2  0  0  0  0
 18 16  1  0  0  0  0
 19 17  1  0  0  0  0
  4  5  1  0  0  0  0
 19 18  2  0  0  0  0
 11 12  2  0  0  0  0
M  END
>  <Mol_ID> (6,259)
6259

>  <Formula> (6,259)
C16H14N2O

>  <MolWeight> (6,259)
250.29516

>  <COMPOUND_NAME> (6,259)
WAY-323878-A

>  <BAR_CODE_NO> (6,259)
298879

$$$$
WAY-323879
csChFnd80/06171916332D

 18 20  0  0  0  0  0  0  0  0999 V2000
    6.9167    5.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6375    7.1292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6375    3.6583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5667    4.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6375    6.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0000    5.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5667    5.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000    4.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2917    6.9917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2167    3.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4250    6.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000    4.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7042    1.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7042    3.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7042    7.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6375    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  8  1  0  0  0  0
  8  6  2  0  0  0  0
  9  7  1  0  0  0  0
 10  7  2  0  0  0  0
 11  9  1  0  0  0  0
 12 10  1  0  0  0  0
 13  3  1  0  0  0  0
 14  4  2  0  0  0  0
 15  5  2  0  0  0  0
 16 13  1  0  0  0  0
 17 14  1  0  0  0  0
 18 15  1  0  0  0  0
  4  5  1  0  0  0  0
 18 17  2  0  0  0  0
 11 12  2  0  0  0  0
M  END
>  <Mol_ID> (6,260)
6260

>  <Formula> (6,260)
C15H14N2O

>  <MolWeight> (6,260)
238.28446

>  <COMPOUND_NAME> (6,260)
WAY-323879

>  <BAR_CODE_NO> (6,260)
298880

$$$$
WAY-323966
csChFnd80/06171916332D

 31 34  0  0  0  0  0  0  0  0999 V2000
   -0.1966   -0.1972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4409    0.5736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0508    1.1736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0633    1.4236    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0534   -1.1889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1341    0.1778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8841    1.7653    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0034   -1.5764    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0383   -0.2514    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6091   -1.9764    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8091    1.3111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8841    0.3153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9367   -2.6014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0591   -2.8472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6258    1.9028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7841   -0.1389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4841    2.4736    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7091   -0.5639    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4409    0.4903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3284    2.3611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3409    2.4736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9534    1.7736    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9492    1.6528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6409   -3.3389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3466   -3.8264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5617    0.9528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3617    2.6986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3742    2.8153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5659    1.0653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3617   -4.3222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3659   -4.5722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  6  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  2  0  0  0  0
  8  5  2  0  0  0  0
  9  6  2  0  0  0  0
 10  5  1  0  0  0  0
 11 12  2  0  0  0  0
 12  9  1  0  0  0  0
 13  8  1  0  0  0  0
 14 10  1  0  0  0  0
 15 11  1  0  0  0  0
 16 12  1  0  0  0  0
 17 15  3  0  0  0  0
 18 16  3  0  0  0  0
 19  2  1  0  0  0  0
 20  4  1  0  0  0  0
 21 20  1  0  0  0  0
 22 23  1  0  0  0  0
 23 21  1  0  0  0  0
 24 13  1  0  0  0  0
 25 14  1  0  0  0  0
 26 22  1  0  0  0  0
 27 22  1  0  0  0  0
 28 27  1  0  0  0  0
 29 26  1  0  0  0  0
 30 24  2  0  0  0  0
 31 25  2  0  0  0  0
  3  4  1  0  0  0  0
 13 14  2  0  0  0  0
 11  7  1  0  0  0  0
 31 30  1  0  0  0  0
M  END
>  <Mol_ID> (6,261)
6261

>  <Formula> (6,261)
C22H23N9

>  <MolWeight> (6,261)
413.47832

>  <COMPOUND_NAME> (6,261)
WAY-323966

>  <BAR_CODE_NO> (6,261)
298967

$$$$
WAY-323972
csChFnd80/06171916332D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -0.4208    2.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7625    1.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0542    1.5833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792    2.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292    0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8208    1.2458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167    1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2667    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3500    3.5958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292   -0.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208    3.5333    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.2167    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4667   -1.0667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9792    1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3000    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0042    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3500   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1458   -0.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1375    0.7458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6625    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0125    1.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9625   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2833   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1875    0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8 12  1  0  0  0  0
  9  4  2  0  0  0  0
 10  5  2  0  0  0  0
 11  1  1  0  0  0  0
 12 17  2  0  0  0  0
 13  8  2  0  0  0  0
 14  7  1  0  0  0  0
 15  7  2  0  0  0  0
 16 14  2  0  0  0  0
 17 15  1  0  0  0  0
 18 23  1  0  0  0  0
 19  8  1  0  0  0  0
 20  6  1  0  0  0  0
 21  6  1  0  0  0  0
 22 20  1  0  0  0  0
 23 21  1  0  0  0  0
 24 19  1  0  0  0  0
  3  5  1  0  0  0  0
 18 22  1  0  0  0  0
 12 16  1  0  0  0  0
M  END
>  <Mol_ID> (6,262)
6262

>  <Formula> (6,262)
C16H15ClN2O5

>  <MolWeight> (6,262)
350.7537

>  <COMPOUND_NAME> (6,262)
WAY-323972

>  <BAR_CODE_NO> (6,262)
298973

$$$$
WAY-323975
csChFnd80/06171916332D

 26 27  0  0  0  0  0  0  0  0999 V2000
    6.1000   -4.1292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0917   -4.9667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5292   -4.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8042   -5.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6750   -6.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2417   -5.3875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3792   -6.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0917   -3.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2667   -4.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9292   -4.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6750   -5.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9542   -6.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9625   -4.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2417   -6.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3792   -7.4542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5292   -4.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8125   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3792   -2.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1000   -6.2250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0875   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8042   -2.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3667   -2.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0792   -0.8250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.3792   -5.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0917   -5.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8042   -4.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  2  1  0  0  0  0
  5 12  1  0  0  0  0
  6  3  1  0  0  0  0
  7  5  1  0  0  0  0
  8  1  1  0  0  0  0
  9  1  2  0  0  0  0
 10  1  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13  6  1  0  0  0  0
 14  6  1  0  0  0  0
 15  7  2  0  0  0  0
 16  3  2  0  0  0  0
 17  8  2  0  0  0  0
 18  8  1  0  0  0  0
 19  7  1  0  0  0  0
 20 22  1  0  0  0  0
 21 17  1  0  0  0  0
 22 18  2  0  0  0  0
 23 20  1  0  0  0  0
 24  2  1  0  0  0  0
 25 19  1  0  0  0  0
 26 25  1  0  0  0  0
 20 21  2  0  0  0  0
  5 11  1  0  0  0  0
M  END
>  <Mol_ID> (6,263)
6263

>  <Formula> (6,263)
C16H22ClN3O5S

>  <MolWeight> (6,263)
403.88098

>  <COMPOUND_NAME> (6,263)
WAY-323975

>  <BAR_CODE_NO> (6,263)
298976

$$$$
WAY-323977
csChFnd80/06171916332D

 20 23  0  0  0  0  0  0  0  0999 V2000
    0.0343   -0.0204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0377    0.7969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6761   -0.4273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7412   -0.4342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7515    1.2003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6726    1.2003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6830   -1.2445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3795   -0.0135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4550   -0.0238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7412   -1.2514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4550    0.7934    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7515    2.0244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6726    2.0244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0274   -1.6583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3899   -1.6480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0899   -0.4169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1688   -0.4376    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4550   -1.6687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0377    2.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0933   -1.2376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8 16  2  0  0  0  0
  9 17  1  0  0  0  0
 10 18  2  0  0  0  0
 12 19  1  0  0  0  0
 15 20  2  0  0  0  0
  9 11  2  0  0  0  0
 10 14  1  0  0  0  0
 13 19  1  0  0  0  0
 16 20  1  0  0  0  0
M  END
>  <Mol_ID> (6,264)
6264

>  <Formula> (6,264)
C16H14N2O2

>  <MolWeight> (6,264)
266.29456

>  <COMPOUND_NAME> (6,264)
WAY-323977

>  <BAR_CODE_NO> (6,264)
298978

$$$$
WAY-323978
csChFnd80/06171916332D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -0.3333   -0.1167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708    0.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6125   -0.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1333   -0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5708    0.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708    1.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708    1.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3500   -0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3500    1.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1292   -1.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0500   -0.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708    0.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0500    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667   -1.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2875   -0.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2958    2.0208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8875   -0.8542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500    2.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4500   -1.8167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4708   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5125   -0.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1875   -1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7958    1.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8500   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3500   -1.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  2  0  0  0  0
 10 14  2  0  0  0  0
 11 16  2  0  0  0  0
 12 17  2  0  0  0  0
 13  7  1  0  0  0  0
 14 13  1  0  0  0  0
 15  6  2  0  0  0  0
 16 15  1  0  0  0  0
 17 18  1  0  0  0  0
 18 13  2  0  0  0  0
 19  9  1  0  0  0  0
 20 10  1  0  0  0  0
 21 11  1  0  0  0  0
 22 12  1  0  0  0  0
 23  4  2  0  0  0  0
 24  5  2  0  0  0  0
 25 20  1  0  0  0  0
 26 19  1  0  0  0  0
 27 23  1  0  0  0  0
 28 27  2  0  0  0  0
  3  5  1  0  0  0  0
 28 24  1  0  0  0  0
 12 10  1  0  0  0  0
 11  9  1  0  0  0  0
M  END
>  <Mol_ID> (6,265)
6265

>  <Formula> (6,265)
C22H20N2O4

>  <MolWeight> (6,265)
376.4052

>  <COMPOUND_NAME> (6,265)
WAY-323978

>  <BAR_CODE_NO> (6,265)
298979

$$$$
WAY-323996
csChFnd80/06171916332D

 26 29  0  0  0  0  0  0  0  0999 V2000
    2.7500   -0.5792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8292    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9500   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667    0.5708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5417   -0.0417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3042   -1.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6917   -1.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2417   -2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5542    0.6458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0500   -1.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2667    1.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2667    2.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5542    1.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9875    1.4708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9875    0.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1042   -1.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7000   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6042   -2.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7042    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9792   -1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4125   -1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6625   -1.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4042   -2.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4125   -1.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9792   -1.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7000   -2.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  2  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8 10  1  0  0  0  0
  9  2  1  0  0  0  0
 10  6  2  0  0  0  0
 11 13  1  0  0  0  0
 12 11  2  0  0  0  0
 13  9  1  0  0  0  0
 14 11  1  0  0  0  0
 15 14  1  0  0  0  0
 16  6  1  0  0  0  0
 17 19  1  0  0  0  0
 18 10  1  0  0  0  0
 19 15  1  0  0  0  0
 20 17  2  0  0  0  0
 21 17  1  0  0  0  0
 22 16  2  0  0  0  0
 23 22  1  0  0  0  0
 24 21  2  0  0  0  0
 25 20  1  0  0  0  0
 26 24  1  0  0  0  0
  4  5  1  0  0  0  0
  7  8  2  0  0  0  0
 18 23  2  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <Mol_ID> (6,266)
6266

>  <Formula> (6,266)
C20H18N4OS

>  <MolWeight> (6,266)
362.44812

>  <COMPOUND_NAME> (6,266)
WAY-323996

>  <BAR_CODE_NO> (6,266)
298997

$$$$
WAY-324030
csChFnd80/06171916332D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.5792   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208   -0.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1500    1.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958    0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4167    0.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6125   -1.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8292    2.2333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1500    2.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1458    1.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2125   -2.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9125   -1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000    3.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1458    2.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7958   -2.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0958   -3.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3958   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8  6  2  0  0  0  0
  9  4  1  0  0  0  0
 10  5  1  0  0  0  0
 11  6  1  0  0  0  0
 12  7  1  0  0  0  0
 13  7  2  0  0  0  0
 14  9  1  0  0  0  0
 15 10  1  0  0  0  0
 16 13  1  0  0  0  0
 17 12  2  0  0  0  0
 18 16  2  0  0  0  0
  5  4  2  0  0  0  0
 14 15  1  0  0  0  0
 18 17  1  0  0  0  0
M  END
>  <Mol_ID> (6,267)
6267

>  <Formula> (6,267)
C15H16N2O

>  <MolWeight> (6,267)
240.30034

>  <COMPOUND_NAME> (6,267)
WAY-324030

>  <BAR_CODE_NO> (6,267)
299031

$$$$
WAY-324034
csChFnd80/06171916332D

 26 29  0  0  0  0  0  0  0  0999 V2000
    4.2500    3.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4500    5.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7667    3.6708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667    4.9375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7375    5.8375    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.2542    5.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1375    2.7708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7375    7.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0167    5.2292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.9167    7.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5292    2.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4500    7.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9167    9.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667    2.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4167    3.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1167    1.4833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7375   10.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2042    7.2167    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.4500    9.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1542    7.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7375   11.4792    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7667    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6875    2.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6875    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  5  1  0  0  0  0
  9  5  1  0  0  0  0
 10  8  2  0  0  0  0
 11  7  1  0  0  0  0
 12  8  1  0  0  0  0
 13 10  1  0  0  0  0
 14  3  1  0  0  0  0
 15 11  1  0  0  0  0
 16 11  2  0  0  0  0
 17 19  1  0  0  0  0
 18 10  1  0  0  0  0
 19 12  2  0  0  0  0
 20  6  1  0  0  0  0
 21 17  1  0  0  0  0
 22 14  1  0  0  0  0
 23 14  2  0  0  0  0
 24 23  1  0  0  0  0
 25 22  2  0  0  0  0
 26 24  2  0  0  0  0
  4  6  2  0  0  0  0
  9 15  1  0  0  0  0
 26 25  1  0  0  0  0
 17 13  2  0  0  0  0
M  END
>  <Mol_ID> (6,268)
6268

>  <Formula> (6,268)
C19H15Cl2N3OS

>  <MolWeight> (6,268)
404.3129

>  <COMPOUND_NAME> (6,268)
WAY-324034

>  <BAR_CODE_NO> (6,268)
299035

$$$$
WAY-324046
csChFnd80/06171916332D

 24 27  0  0  0  0  0  0  0  0999 V2000
    0.4042   -0.9167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0500   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042   -1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0500   -1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000   -0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000   -1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000   -0.9167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0500   -0.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6625   -0.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000    0.3333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208   -0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208    0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6625    0.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3833   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0500   -1.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6625   -1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3833    0.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6625    0.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458    0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458   -0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3833   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000   -2.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6625   -1.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  8  1  0  0  0  0
  6  4  2  0  0  0  0
  7  2  1  0  0  0  0
  8  2  1  0  0  0  0
  9  5  2  0  0  0  0
 10  5  1  0  0  0  0
 11  9  1  0  0  0  0
 12 13  1  0  0  0  0
 13 10  2  0  0  0  0
 14  3  2  0  0  0  0
 15 11  1  0  0  0  0
 16  4  1  0  0  0  0
 17  6  1  0  0  0  0
 18 12  1  0  0  0  0
 19 13  1  0  0  0  0
 20 18  2  0  0  0  0
 21 15  2  0  0  0  0
 22 15  1  0  0  0  0
 23 16  1  0  0  0  0
 24 23  1  0  0  0  0
  6  7  1  0  0  0  0
 24 17  1  0  0  0  0
 11 12  2  0  0  0  0
 21 20  1  0  0  0  0
M  END
>  <Mol_ID> (6,269)
6269

>  <Formula> (6,269)
C18H19N5O

>  <MolWeight> (6,269)
321.37636

>  <COMPOUND_NAME> (6,269)
WAY-324046

>  <BAR_CODE_NO> (6,269)
299047

$$$$
WAY-324047
csChFnd80/06171916332D

 26 29  0  0  0  0  0  0  0  0999 V2000
    0.3500   -0.9167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3500   -1.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3625   -0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3625   -1.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3625   -0.9167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.2792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208   -0.2792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3625    0.3333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833   -0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833    0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208    0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7292   -1.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4458   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208   -1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4458    0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4458   -0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208    0.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8000    0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8000   -0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8000   -0.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3625   -2.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208   -1.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8000   -1.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  8  1  0  0  0  0
  6  4  2  0  0  0  0
  7  2  1  0  0  0  0
  8  2  1  0  0  0  0
  9  5  2  0  0  0  0
 10  5  1  0  0  0  0
 11  9  1  0  0  0  0
 12 13  1  0  0  0  0
 13 10  2  0  0  0  0
 14  3  2  0  0  0  0
 15 11  1  0  0  0  0
 16  4  1  0  0  0  0
 17  6  1  0  0  0  0
 18 12  1  0  0  0  0
 19 15  1  0  0  0  0
 20 13  1  0  0  0  0
 21 18  2  0  0  0  0
 22 15  2  0  0  0  0
 23 19  1  0  0  0  0
 24 16  1  0  0  0  0
 25 24  1  0  0  0  0
 26 23  1  0  0  0  0
  7  6  1  0  0  0  0
 17 25  1  0  0  0  0
 12 11  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (6,270)
6270

>  <Formula> (6,270)
C19H21N5O2

>  <MolWeight> (6,270)
351.40234

>  <COMPOUND_NAME> (6,270)
WAY-324047

>  <BAR_CODE_NO> (6,270)
299048

$$$$
WAY-324048
csChFnd80/06171916332D

 26 29  0  0  0  0  0  0  0  0999 V2000
    0.1000   -0.9167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500   -0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000   -1.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500   -1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6125   -0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6125   -1.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6125   -0.9167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500   -0.2792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6125    0.3333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708   -0.2792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3333    0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708    0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3333   -0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792   -1.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6958    0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6958   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0500    0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500   -1.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0500   -0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708   -1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4333    0.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708    0.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4333    0.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6125   -2.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708   -1.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9208    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  8  1  0  0  0  0
  6  4  2  0  0  0  0
  7  2  1  0  0  0  0
  8  2  1  0  0  0  0
  9  5  1  0  0  0  0
 10  5  2  0  0  0  0
 11 13  2  0  0  0  0
 12  9  2  0  0  0  0
 13 10  1  0  0  0  0
 14  3  2  0  0  0  0
 15 11  1  0  0  0  0
 16 13  1  0  0  0  0
 17 19  1  0  0  0  0
 18  4  1  0  0  0  0
 19 16  2  0  0  0  0
 20  6  1  0  0  0  0
 21 17  1  0  0  0  0
 22 12  1  0  0  0  0
 23 21  1  0  0  0  0
 24 18  1  0  0  0  0
 25 24  1  0  0  0  0
 26 23  1  0  0  0  0
  6  7  1  0  0  0  0
 25 20  1  0  0  0  0
 11 12  1  0  0  0  0
 15 17  2  0  0  0  0
M  END
>  <Mol_ID> (6,271)
6271

>  <Formula> (6,271)
C19H21N5O2

>  <MolWeight> (6,271)
351.40234

>  <COMPOUND_NAME> (6,271)
WAY-324048

>  <BAR_CODE_NO> (6,271)
299049

$$$$
WAY-324050
csChFnd80/06171916332D

 22 25  0  0  0  0  0  0  0  0999 V2000
   -0.3125    1.3958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7125    1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333    1.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1125    1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9500    1.0125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792    1.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9500    1.6708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3333    1.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3333    1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792    1.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1125    0.6958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792    1.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6708    0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6708    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0167    1.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7167    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0333    1.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0333    1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3792    1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  2  0  0  0  0
  6  2  2  0  0  0  0
  7  4  2  0  0  0  0
  8  2  1  0  0  0  0
  9  6  1  0  0  0  0
 10  8  1  0  0  0  0
 11  5  1  0  0  0  0
 12  3  1  0  0  0  0
 13  7  1  0  0  0  0
 14  9  1  0  0  0  0
 15 10  1  0  0  0  0
 16 11  1  0  0  0  0
 17 11  2  0  0  0  0
 18 15  2  0  0  0  0
 19 14  2  0  0  0  0
 20 17  1  0  0  0  0
 21 16  2  0  0  0  0
 22 20  2  0  0  0  0
  7  5  1  0  0  0  0
  9 10  2  0  0  0  0
 19 18  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (6,272)
6272

>  <Formula> (6,272)
C17H14N4S

>  <MolWeight> (6,272)
306.38486

>  <COMPOUND_NAME> (6,272)
WAY-324050

>  <BAR_CODE_NO> (6,272)
299051

$$$$
WAY-324064
csChFnd80/06171916332D

 24 27  0  0  0  0  0  0  0  0999 V2000
    4.9375   -2.7375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1042   -2.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8542   -1.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1875   -1.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5167   -1.4667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5542   -3.3500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0542   -1.7792    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.8167   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4167   -3.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4500   -1.4167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -2.3875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.0042   -0.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0792   -4.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9792   -1.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7500   -3.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7000   -2.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2542   -4.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5667   -4.8292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3667   -0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7500   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2292   -5.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1167    0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7167   -6.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3042    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  7  1  0  0  0  0
  9  1  1  0  0  0  0
 10 16  1  0  0  0  0
 11 15  1  0  0  0  0
 12  8  1  0  0  0  0
 13  9  1  0  0  0  0
 14  4  2  0  0  0  0
 15  6  1  0  0  0  0
 16 11  1  0  0  0  0
 17 13  2  0  0  0  0
 18 13  1  0  0  0  0
 19  8  2  0  0  0  0
 20 12  2  0  0  0  0
 21 18  1  0  0  0  0
 22 19  1  0  0  0  0
 23 21  1  0  0  0  0
 24 22  2  0  0  0  0
  5  3  1  0  0  0  0
  7 11  1  0  0  0  0
 12 10  1  0  0  0  0
 24 20  1  0  0  0  0
M  END
>  <Mol_ID> (6,273)
6273

>  <Formula> (6,273)
C17H17NO4S2

>  <MolWeight> (6,273)
363.45118

>  <COMPOUND_NAME> (6,273)
WAY-324064

>  <BAR_CODE_NO> (6,273)
299065

$$$$
WAY-324065
csChFnd80/06171916332D

 18 19  0  0  0  0  0  0  0  0999 V2000
    2.9375   -0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167   -0.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000   -1.6792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5292   -2.1542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8542   -1.6792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4292   -0.2292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.5500    0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8792   -0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7000   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7292    0.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1875    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2500   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0292    0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4000    1.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8500    0.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6292   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0375   -1.3292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0042    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7 10  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10 12  1  0  0  0  0
 11 15  1  0  0  0  0
 12  6  1  0  0  0  0
 13  7  1  0  0  0  0
 14 10  2  0  0  0  0
 15 13  2  0  0  0  0
 16  2  1  0  0  0  0
 17  9  1  0  0  0  0
 18 11  1  0  0  0  0
  5  4  2  0  0  0  0
  9 11  2  0  0  0  0
M  END
>  <Mol_ID> (6,274)
6274

>  <Formula> (6,274)
C10H10N4O3S

>  <MolWeight> (6,274)
266.2764

>  <COMPOUND_NAME> (6,274)
WAY-324065

>  <BAR_CODE_NO> (6,274)
299066

$$$$
WAY-324071
csChFnd80/06171916332D

 27 30  0  0  0  0  0  0  0  0999 V2000
    1.7500    0.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4167    0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1000    0.6208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9500    1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000    0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4167   -0.5667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7500   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1500    2.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7000    2.8625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    2.1125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3000   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208   -0.5667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3000    0.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208    0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9000    2.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7500   -1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    2.2125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6667    0.7958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4167   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7708    0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3333    0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4042    1.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3000    1.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -3.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1500   -1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  2  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  2  0  0  0  0
  8  3  1  0  0  0  0
  9  7  1  0  0  0  0
 10  2  1  0  0  0  0
 11 17  1  0  0  0  0
 12  5  1  0  0  0  0
 13  7  1  0  0  0  0
 14 16  1  0  0  0  0
 15  6  1  0  0  0  0
 16 15  1  0  0  0  0
 17 12  2  0  0  0  0
 18  9  1  0  0  0  0
 19 10  1  0  0  0  0
 20 25  1  0  0  0  0
 21 18  1  0  0  0  0
 22 16  1  0  0  0  0
 23 16  1  0  0  0  0
 24 19  1  0  0  0  0
 25 24  1  0  0  0  0
 26 21  1  0  0  0  0
 27 21  1  0  0  0  0
  4  2  1  0  0  0  0
  8  9  2  0  0  0  0
 14 13  1  0  0  0  0
 11 10  2  0  0  0  0
M  END
>  <Mol_ID> (6,275)
6275

>  <Formula> (6,275)
C20H26N4O2S

>  <MolWeight> (6,275)
386.51104

>  <COMPOUND_NAME> (6,275)
WAY-324071

>  <BAR_CODE_NO> (6,275)
299072

$$$$
WAY-324075
csChFnd80/06171916332D

 32 36  0  0  0  0  0  0  0  0999 V2000
   -0.9284    0.3722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6491   -0.0657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7111    1.1722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2594   -0.0657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6491   -0.8485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3594    0.3722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1061    1.1722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1387    1.8515    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4406    0.3722    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2594   -0.8140    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9284   -1.2485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3594   -1.2485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0767   -0.0657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4716    1.9619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7594    2.6136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9284   -2.0657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0767   -0.8140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9767   -0.0657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4249    0.7515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0268    2.6136    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3233    1.9619    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2594   -2.4795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7406    1.2860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2594   -3.3036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6233    1.2860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4406   -3.7140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0406    0.5515    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6268   -0.1657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8751    0.5515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0406   -0.8795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3233   -0.1657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9233   -0.8795    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 13 18  1  0  0  0  0
 13 19  1  0  0  0  0
 14 20  2  0  0  0  0
 14 21  1  0  0  0  0
 16 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
 29 31  1  0  0  0  0
 30 32  1  0  0  0  0
  7  9  1  0  0  0  0
 10 11  2  0  0  0  0
 13 17  1  0  0  0  0
 15 20  1  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <Mol_ID> (6,276)
6276

>  <Formula> (6,276)
C24H33N5O2S

>  <MolWeight> (6,276)
455.61612

>  <COMPOUND_NAME> (6,276)
WAY-324075

>  <BAR_CODE_NO> (6,276)
299076

$$$$
WAY-324089
csChFnd80/06171916332D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -1.3204   -0.3072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4859   -0.8003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3204    0.6445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1480   -0.8003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4963   -1.8003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3486   -0.3072    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4859    1.1204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1480    1.1204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9859   -0.3072    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3204   -2.2313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3486   -2.1796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3486    0.6445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4859    2.0825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9859    0.6445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3204   -3.2003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3486   -3.2003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2037    1.1445    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4859    3.0445    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9204    0.3997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2480    1.5825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4997   -3.6693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0279    0.6618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8658    1.1445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7037    0.6618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5486    1.1445    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5486    2.0997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3658    0.6618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
 10 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 13 18  3  0  0  0  0
 14 19  1  0  0  0  0
 14 20  1  0  0  0  0
 15 21  1  0  0  0  0
 17 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
  7 12  2  0  0  0  0
  9 14  1  0  0  0  0
 16 21  2  0  0  0  0
M  END
>  <Mol_ID> (6,277)
6277

>  <Formula> (6,277)
C22H28N4O

>  <MolWeight> (6,277)
364.48392

>  <COMPOUND_NAME> (6,277)
WAY-324089

>  <BAR_CODE_NO> (6,277)
299090

$$$$
WAY-324093
csChFnd80/06171916332D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -0.3831    0.7518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5445    1.0104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2451    1.2518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4348   -0.2275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0825    0.1898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0169    1.8898    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1037    0.7518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2451    2.2346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4825   -0.5654    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2451   -0.7137    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0652    0.2346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9825    1.9518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1037   -0.2275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9693    1.2518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1037    2.7346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5204    1.1104    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6169   -0.6102    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9693   -0.7378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9693    2.2346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1652   -1.4758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8313   -0.2482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7169   -2.3102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2825   -3.2102    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8445   -4.0137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2825   -3.2585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
 11 16  2  0  0  0  0
 11 17  1  0  0  0  0
 13 18  1  0  0  0  0
 14 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
  5  9  1  0  0  0  0
 10 13  2  0  0  0  0
 12 16  1  0  0  0  0
 15 19  1  0  0  0  0
M  END
>  <Mol_ID> (6,278)
6278

>  <Formula> (6,278)
C19H25N5S

>  <MolWeight> (6,278)
355.5003

>  <COMPOUND_NAME> (6,278)
WAY-324093

>  <BAR_CODE_NO> (6,278)
299094

$$$$
WAY-324099
csChFnd80/06171916332D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.4755   -0.0576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1245    0.2838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0410    0.2838    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4755   -0.7335    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7245   -0.0576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1245    0.9665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7237    0.8665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7237    0.2838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1245   -1.0783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7245   -0.7335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3211    0.2838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1245    1.6665    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0410    1.4665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0755    0.8665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1245   -1.7783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3211   -1.0783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9211   -0.0576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7237    1.4665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7245   -2.1266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9211   -0.7335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  3  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 11 17  1  0  0  0  0
 13 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
  9 10  1  0  0  0  0
 14 18  1  0  0  0  0
 17 20  1  0  0  0  0
M  END
>  <Mol_ID> (6,279)
6279

>  <Formula> (6,279)
C16H21N3O

>  <MolWeight> (6,279)
271.35744

>  <COMPOUND_NAME> (6,279)
WAY-324099

>  <BAR_CODE_NO> (6,279)
299100

$$$$
WAY-324101
csChFnd80/06171916332D

 23 27  0  0  0  0  0  0  0  0999 V2000
    0.6620    0.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2898    0.9378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7585    0.7171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6620   -0.7829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2863    0.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2898    2.0654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4102   -0.2346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2240    1.7482    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2898   -1.3346    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7585   -1.1346    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2863   -0.7829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2760    0.9378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2863    2.6378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5585   -0.1139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3585    1.8482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2553   -1.3346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2760    2.0861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0102    0.9171    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2102   -1.0208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3104   -2.4380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3242   -0.9208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4035   -2.7380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0380   -1.7898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 14 18  2  0  0  0  0
 14 19  1  0  0  0  0
 16 20  2  0  0  0  0
 16 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
  7 10  1  0  0  0  0
  9 11  2  0  0  0  0
 13 17  1  0  0  0  0
 15 18  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (6,280)
6280

>  <Formula> (6,280)
C17H13N3O2S

>  <MolWeight> (6,280)
323.36902

>  <COMPOUND_NAME> (6,280)
WAY-324101

>  <BAR_CODE_NO> (6,280)
299102

$$$$
WAY-324106
csChFnd80/06171916332D

 22 24  0  0  0  0  0  0  0  0999 V2000
    2.2667   -2.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -2.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7042   -0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -1.3542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.5542   -2.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5542   -1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4292   -1.3542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2792   -0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667   -3.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1375   -0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7167   -0.1167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8500   -1.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5667   -0.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2792   -1.3667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8375   -0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8375   -2.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8500    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1375   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5667   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9875   -0.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292   -1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292   -2.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7  3  1  0  0  0  0
  8  6  1  0  0  0  0
  9  1  2  0  0  0  0
 10  7  1  0  0  0  0
 11  3  2  0  0  0  0
 12 10  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15  6  2  0  0  0  0
 16  5  2  0  0  0  0
 17 18  2  0  0  0  0
 18 10  1  0  0  0  0
 19 17  1  0  0  0  0
 20 14  1  0  0  0  0
 21 22  2  0  0  0  0
 22 16  1  0  0  0  0
  8  4  1  0  0  0  0
 21 15  1  0  0  0  0
 19 13  2  0  0  0  0
M  END
>  <Mol_ID> (6,281)
6281

>  <Formula> (6,281)
C17H15NO4

>  <MolWeight> (6,281)
297.3053

>  <COMPOUND_NAME> (6,281)
WAY-324106

>  <BAR_CODE_NO> (6,281)
299107

$$$$
WAY-324107
csChFnd80/06171916332D

 22 24  0  0  0  0  0  0  0  0999 V2000
    2.2667   -2.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -2.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7042   -0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -1.3542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.5542   -2.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5542   -1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4292   -1.3542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2792   -0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667   -3.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7167   -0.1167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1375   -0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5667   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8500   -1.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1375   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8500    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5667   -0.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2875    0.2708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8375   -0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8375   -2.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2875    1.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292   -1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292   -2.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7  3  1  0  0  0  0
  8  6  1  0  0  0  0
  9  1  2  0  0  0  0
 10  3  2  0  0  0  0
 11  7  1  0  0  0  0
 12 15  1  0  0  0  0
 13 11  2  0  0  0  0
 14 11  1  0  0  0  0
 15 14  2  0  0  0  0
 16 13  1  0  0  0  0
 17 12  1  0  0  0  0
 18  6  2  0  0  0  0
 19  5  2  0  0  0  0
 20 17  1  0  0  0  0
 21 22  2  0  0  0  0
 22 19  1  0  0  0  0
  8  4  1  0  0  0  0
 21 18  1  0  0  0  0
 12 16  2  0  0  0  0
M  END
>  <Mol_ID> (6,282)
6282

>  <Formula> (6,282)
C17H15NO4

>  <MolWeight> (6,282)
297.3053

>  <COMPOUND_NAME> (6,282)
WAY-324107

>  <BAR_CODE_NO> (6,282)
299108

$$$$
WAY-324108
csChFnd80/06171916332D

 22 24  0  0  0  0  0  0  0  0999 V2000
    2.2667   -2.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -2.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7042   -0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -1.3542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.5542   -2.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5542   -1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4292   -1.3542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2792   -0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5667   -0.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667   -3.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1375   -0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7167   -0.1167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8500   -1.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5667   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8500    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1375   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8375   -0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8375   -2.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2792   -1.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2792    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292   -1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292   -2.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7  3  1  0  0  0  0
  8  6  1  0  0  0  0
  9 13  1  0  0  0  0
 10  1  2  0  0  0  0
 11  7  1  0  0  0  0
 12  3  2  0  0  0  0
 13 11  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
 17  6  2  0  0  0  0
 18  5  2  0  0  0  0
 19  9  1  0  0  0  0
 20 14  1  0  0  0  0
 21 22  2  0  0  0  0
 22 18  1  0  0  0  0
  8  4  1  0  0  0  0
 21 17  1  0  0  0  0
 14  9  2  0  0  0  0
M  END
>  <Mol_ID> (6,283)
6283

>  <Formula> (6,283)
C18H17NO3

>  <MolWeight> (6,283)
295.33248

>  <COMPOUND_NAME> (6,283)
WAY-324108

>  <BAR_CODE_NO> (6,283)
299109

$$$$
WAY-324109
csChFnd80/06171916332D

 22 24  0  0  0  0  0  0  0  0999 V2000
    2.2667   -2.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -2.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7042   -0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -1.3542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.5542   -2.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5542   -1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4292   -1.3542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2792   -0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667   -3.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7167   -0.1167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1375   -0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5667   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8500   -1.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1375   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8500    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5667   -0.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8375   -0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8375   -2.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2792    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292   -1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0000   -0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292   -2.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7  3  1  0  0  0  0
  8  6  1  0  0  0  0
  9  1  2  0  0  0  0
 10  3  2  0  0  0  0
 11  7  1  0  0  0  0
 12 15  1  0  0  0  0
 13 11  2  0  0  0  0
 14 11  1  0  0  0  0
 15 14  2  0  0  0  0
 16 13  1  0  0  0  0
 17  6  2  0  0  0  0
 18  5  2  0  0  0  0
 19 12  1  0  0  0  0
 20 22  2  0  0  0  0
 21 19  1  0  0  0  0
 22 18  1  0  0  0  0
  8  4  1  0  0  0  0
 20 17  1  0  0  0  0
 12 16  2  0  0  0  0
M  END
>  <Mol_ID> (6,284)
6284

>  <Formula> (6,284)
C18H17NO3

>  <MolWeight> (6,284)
295.33248

>  <COMPOUND_NAME> (6,284)
WAY-324109

>  <BAR_CODE_NO> (6,284)
299110

$$$$
WAY-324127
csChFnd80/06171916332D

 29 32  0  0  0  0  0  0  0  0999 V2000
    2.7167   -3.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0500   -2.5667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -3.8500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3667   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4875   -2.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167   -3.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6875   -3.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5167   -0.8167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6167   -1.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9000   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   -2.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3792    1.0708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5042    1.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1000   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1375   -0.5542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8500   -3.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3000    2.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0292    0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9292    1.6833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6167   -2.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1792   -4.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7542   -1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8542    2.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4292    3.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8000    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000   -3.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792   -4.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9875    3.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7792    3.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  9  2  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  1  0  0  0  0
  9  5  1  0  0  0  0
 10  8  1  0  0  0  0
 11 16  2  0  0  0  0
 12 18  1  0  0  0  0
 13 12  1  0  0  0  0
 14  5  2  0  0  0  0
 15 10  2  0  0  0  0
 16 14  1  0  0  0  0
 17 13  2  0  0  0  0
 18 10  1  0  0  0  0
 19 17  1  0  0  0  0
 20  6  1  0  0  0  0
 21  7  1  0  0  0  0
 22 11  1  0  0  0  0
 23 13  1  0  0  0  0
 24 17  1  0  0  0  0
 25 19  1  0  0  0  0
 26 20  2  0  0  0  0
 27 21  2  0  0  0  0
 28 23  2  0  0  0  0
 29 28  1  0  0  0  0
  6  7  2  0  0  0  0
 11  4  1  0  0  0  0
 26 27  1  0  0  0  0
 24 29  2  0  0  0  0
M  END
>  <Mol_ID> (6,285)
6285

>  <Formula> (6,285)
C23H21N3O3

>  <MolWeight> (6,285)
387.43114

>  <COMPOUND_NAME> (6,285)
WAY-324127

>  <BAR_CODE_NO> (6,285)
299128

$$$$
WAY-324128
csChFnd80/06171916332D

 30 33  0  0  0  0  0  0  0  0999 V2000
    6.0292    0.3125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5292   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5500    0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7375   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2000   -1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9000   -0.1042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6167   -0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9167   -1.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6167   -1.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1875   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7375    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0292   -0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4875   -1.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3167   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208   -1.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8500    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208   -0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0167    1.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7792   -1.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8000    1.7833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9167   -2.6167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3167    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9333   -1.7875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458   -0.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2500   -0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208   -2.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9500    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0667   -0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8292   -1.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  7 15  1  0  0  0  0
  8  9  1  0  0  0  0
  9  7  1  0  0  0  0
 10  6  1  0  0  0  0
 11  3  1  0  0  0  0
 12  4  1  0  0  0  0
 13  5  1  0  0  0  0
 14 10  1  0  0  0  0
 15 12  2  0  0  0  0
 16 13  2  0  0  0  0
 17  1  1  0  0  0  0
 18 14  2  0  0  0  0
 19 11  1  0  0  0  0
 20  2  2  0  0  0  0
 21  3  2  0  0  0  0
 22  8  2  0  0  0  0
 23 19  2  0  0  0  0
 24 16  1  0  0  0  0
 25 18  1  0  0  0  0
 26 17  1  0  0  0  0
 27 24  1  0  0  0  0
 28 25  1  0  0  0  0
 29 26  1  0  0  0  0
 30 26  1  0  0  0  0
 11  4  2  0  0  0  0
 15 23  1  0  0  0  0
 10  5  2  0  0  0  0
 18 16  1  0  0  0  0
M  END
>  <Mol_ID> (6,286)
6286

>  <Formula> (6,286)
C22H20N2O6

>  <MolWeight> (6,286)
408.404

>  <COMPOUND_NAME> (6,286)
WAY-324128

>  <BAR_CODE_NO> (6,286)
299129

$$$$
WAY-324142
csChFnd80/06171916332D

 25 28  0  0  0  0  0  0  0  0999 V2000
    2.8667   -4.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5375   -4.5875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1292   -3.3167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2042   -4.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7792   -3.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9542   -3.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000   -3.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0500   -4.1042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000   -3.5167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   -4.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4542   -2.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8000   -3.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9500   -4.5667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2167   -2.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3875   -4.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000   -3.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1792   -3.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4292   -2.1667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1542   -5.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9500   -5.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5542   -4.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8292   -1.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2500   -1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7875   -2.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6167   -2.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  9  1  0  0  0  0
  6  3  1  0  0  0  0
  7  5  1  0  0  0  0
  8  1  1  0  0  0  0
  9 15  1  0  0  0  0
 10  4  1  0  0  0  0
 11  3  1  0  0  0  0
 12  8  1  0  0  0  0
 13  5  2  0  0  0  0
 14  7  1  0  0  0  0
 15 16  2  0  0  0  0
 16 10  1  0  0  0  0
 17  7  2  0  0  0  0
 18 14  1  0  0  0  0
 19 10  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 14  2  0  0  0  0
 23 18  1  0  0  0  0
 24 17  1  0  0  0  0
 25 24  2  0  0  0  0
 11 12  2  0  0  0  0
  4  6  2  0  0  0  0
 21 15  1  0  0  0  0
 22 25  1  0  0  0  0
M  END
>  <Mol_ID> (6,287)
6287

>  <Formula> (6,287)
C19H15N3O2S

>  <MolWeight> (6,287)
349.4063

>  <COMPOUND_NAME> (6,287)
WAY-324142

>  <BAR_CODE_NO> (6,287)
299143

$$$$
WAY-324166
csChFnd80/06171916332D

 29 32  0  0  0  0  0  0  0  0999 V2000
   13.1875    4.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0625    4.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2000    0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2292    2.4083    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   15.0625    0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9792    2.4083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3625    2.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2625   -0.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6417    2.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9792   -0.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2625    5.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6000    4.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6000    0.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2000   -2.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0625   -2.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4542    4.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4417    0.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3250    7.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6167   -4.2250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6375   -4.2042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1292   -5.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000    5.6292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042    0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0875   -0.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6750    5.6292    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.7917    2.4083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6750   -0.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8667    0.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5792   -2.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  2  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8  3  1  0  0  0  0
  9 13  1  0  0  0  0
 10  5  1  0  0  0  0
 11  1  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  2  0  0  0  0
 14  8  2  0  0  0  0
 15 14  1  0  0  0  0
 16  7  2  0  0  0  0
 17  7  1  0  0  0  0
 18 11  3  0  0  0  0
 19 14  1  0  0  0  0
 20 15  1  0  0  0  0
 21 19  1  0  0  0  0
 22  2  1  0  0  0  0
 23 28  1  0  0  0  0
 24 23  2  0  0  0  0
 25 12  1  0  0  0  0
 26  9  1  0  0  0  0
 27 13  1  0  0  0  0
 28 26  1  0  0  0  0
 29 27  1  0  0  0  0
  5  6  1  0  0  0  0
 12  9  2  0  0  0  0
 15 10  2  0  0  0  0
 21 20  1  0  0  0  0
M  END
>  <Mol_ID> (6,288)
6288

>  <Formula> (6,288)
C21H17BrN2O5

>  <MolWeight> (6,288)
457.27408

>  <COMPOUND_NAME> (6,288)
WAY-324166

>  <BAR_CODE_NO> (6,288)
299167

$$$$
WAY-324168
csChFnd80/06171916332D

 28 31  0  0  0  0  0  0  0  0999 V2000
   10.3292    3.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8000    4.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8000    1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3250    1.9833    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.2667    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2667    3.6833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8375    1.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7917   -0.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9042   -0.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7292    1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8667    4.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3875   -1.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9292    1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2667   -1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7375   -0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3875    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8375   -0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3917    5.3792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.6167   -3.0417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -1.6667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3042   -3.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8000    6.2292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4625   -1.3917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3875   -3.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4792    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4542   -3.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8375   -3.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0167    1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  2  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8  3  1  0  0  0  0
  9 12  1  0  0  0  0
 10  5  1  0  0  0  0
 11  1  1  0  0  0  0
 12 17  2  0  0  0  0
 13 16  1  0  0  0  0
 14  8  2  0  0  0  0
 15 14  1  0  0  0  0
 16  7  2  0  0  0  0
 17  7  1  0  0  0  0
 18 11  3  0  0  0  0
 19 14  1  0  0  0  0
 20 15  1  0  0  0  0
 21 19  1  0  0  0  0
 22  2  1  0  0  0  0
 23  9  1  0  0  0  0
 24 12  1  0  0  0  0
 25 13  1  0  0  0  0
 26 23  1  0  0  0  0
 27 24  1  0  0  0  0
 28 25  1  0  0  0  0
  5  6  1  0  0  0  0
 13  9  2  0  0  0  0
 15 10  2  0  0  0  0
 21 20  1  0  0  0  0
M  END
>  <Mol_ID> (6,289)
6289

>  <Formula> (6,289)
C20H18N2O6

>  <MolWeight> (6,289)
382.36672

>  <COMPOUND_NAME> (6,289)
WAY-324168

>  <BAR_CODE_NO> (6,289)
299169

$$$$
WAY-324174
csChFnd80/06171916332D

 27 30  0  0  0  0  0  0  0  0999 V2000
   10.1875    3.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6917    4.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6917    0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1667    1.8458    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.2000    1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2000    3.5833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6667    0.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6750   -0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6542   -0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6875    0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6792    4.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6750    0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1625   -1.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2000   -1.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7042   -0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1625    1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6667   -0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1792    5.3167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.5500   -3.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -1.9042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2917   -3.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7042    6.1917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1792    1.8500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.1667   -1.6167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1625   -3.3292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1500   -3.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6667   -4.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  2  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8  3  1  0  0  0  0
  9 13  1  0  0  0  0
 10  5  1  0  0  0  0
 11  1  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  2  0  0  0  0
 14  8  2  0  0  0  0
 15 14  1  0  0  0  0
 16  7  2  0  0  0  0
 17  7  1  0  0  0  0
 18 11  3  0  0  0  0
 19 14  1  0  0  0  0
 20 15  1  0  0  0  0
 21 19  1  0  0  0  0
 22  2  1  0  0  0  0
 23 12  1  0  0  0  0
 24  9  1  0  0  0  0
 25 13  1  0  0  0  0
 26 24  1  0  0  0  0
 27 25  1  0  0  0  0
  5  6  1  0  0  0  0
 12  9  2  0  0  0  0
 15 10  2  0  0  0  0
 21 20  1  0  0  0  0
M  END
>  <Mol_ID> (6,290)
6290

>  <Formula> (6,290)
C19H15BrN2O5

>  <MolWeight> (6,290)
431.2368

>  <COMPOUND_NAME> (6,290)
WAY-324174

>  <BAR_CODE_NO> (6,290)
299175

$$$$
WAY-324205
csChFnd80/06171916332D

 29 33  0  0  0  0  0  0  0  0999 V2000
    4.8875   -6.4500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.1375   -6.0375    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.4167   -7.3292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000   -7.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4042   -6.4667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.1667   -7.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6042   -6.0167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.1167   -5.1792    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.6500   -7.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0375   -5.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4042   -9.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6542   -8.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6875   -6.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8542   -4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6042   -5.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1792   -8.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4167   -9.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9292   -9.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1500   -8.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6167   -8.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1000   -8.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8875   -8.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6667   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9792   -6.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3667   -8.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8500   -8.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542   -6.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9500   -4.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2500   -5.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  6  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  2  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  4  1  0  0  0  0
 10  7  1  0  0  0  0
 11 12  1  0  0  0  0
 12  9  2  0  0  0  0
 13  5  1  0  0  0  0
 14 15  1  0  0  0  0
 15  7  1  0  0  0  0
 16  6  1  0  0  0  0
 17 11  2  0  0  0  0
 18 12  1  0  0  0  0
 19 11  1  0  0  0  0
 20 22  1  0  0  0  0
 21 25  1  0  0  0  0
 22 19  1  0  0  0  0
 23 13  2  0  0  0  0
 24 13  1  0  0  0  0
 25 20  1  0  0  0  0
 26 21  1  0  0  0  0
 27 24  2  0  0  0  0
 28 23  1  0  0  0  0
 29 27  1  0  0  0  0
  8 10  1  0  0  0  0
  3  5  1  0  0  0  0
  8 14  1  0  0  0  0
 18 16  2  0  0  0  0
 29 28  2  0  0  0  0
M  END
>  <Mol_ID> (6,291)
6291

>  <Formula> (6,291)
C25H30N2O2

>  <MolWeight> (6,291)
390.5179

>  <COMPOUND_NAME> (6,291)
WAY-324205

>  <BAR_CODE_NO> (6,291)
299206

$$$$
WAY-324208
csChFnd80/06171916332D

 29 33  0  0  0  0  0  0  0  0999 V2000
    1.7375   -0.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2292   -1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667   -0.1292    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.7375   -2.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9000   -0.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0500   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5875    0.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9500   -1.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3875   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9500   -1.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6167    1.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4375    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2875    1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9292    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1375    2.5333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792    2.7083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333    1.0208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5292   -2.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375   -0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2042   -0.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375   -2.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708    2.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3000    3.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8625    0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3500   -2.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4625   -1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6875   -1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4625   -1.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  1  1  0  0  0  0
  9  5  1  0  0  0  0
 10  8  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14  7  2  0  0  0  0
 15  7  1  0  0  0  0
 16 11  1  0  0  0  0
 17 12  1  0  0  0  0
 18 13  1  0  0  0  0
 19  6  1  0  0  0  0
 20  8  2  0  0  0  0
 21  9  1  0  0  0  0
 22 10  2  0  0  0  0
 23 16  1  0  0  0  0
 24 17  1  0  0  0  0
 25 18  1  0  0  0  0
 26 19  2  0  0  0  0
 27 20  1  0  0  0  0
 28 21  2  0  0  0  0
 29 27  2  0  0  0  0
  4 10  1  0  0  0  0
  6  9  2  0  0  0  0
 29 22  1  0  0  0  0
 11 12  2  0  0  0  0
 28 26  1  0  0  0  0
M  END
>  <Mol_ID> (6,292)
6292

>  <Formula> (6,292)
C23H21N3O3

>  <MolWeight> (6,292)
387.43114

>  <COMPOUND_NAME> (6,292)
WAY-324208

>  <BAR_CODE_NO> (6,292)
299209

$$$$
WAY-324216
csChFnd80/06171916332D

 25 28  0  0  0  0  0  0  0  0999 V2000
    0.0792    0.3333    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0792   -0.4875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.8667    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3500   -0.0792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6208    0.7458    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.3333    0.3333    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.5458    0.1208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6208    1.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6208   -0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3333   -0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1792   -0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167    1.3708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792    1.9833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458    1.9833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5875    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2875    2.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0875    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1792    1.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4167    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667    3.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8792    2.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8292    1.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5875    2.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4167    2.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7  2  1  0  0  0  0
  8  2  1  0  0  0  0
  9  5  1  0  0  0  0
 10  2  1  0  0  0  0
 11  6  1  0  0  0  0
 12  4  1  0  0  0  0
 13  3  2  0  0  0  0
 14  9  1  0  0  0  0
 15  9  2  0  0  0  0
 16 12  1  0  0  0  0
 17 14  1  0  0  0  0
 18 17  1  0  0  0  0
 19 16  1  0  0  0  0
 20 16  2  0  0  0  0
 21 18  1  0  0  0  0
 22 18  1  0  0  0  0
 23 20  1  0  0  0  0
 24 19  2  0  0  0  0
 25 23  2  0  0  0  0
  8  4  1  0  0  0  0
  6  7  1  0  0  0  0
 10 11  2  0  0  0  0
 25 24  1  0  0  0  0
M  END
>  <Mol_ID> (6,293)
6293

>  <Formula> (6,293)
C20H23NO4

>  <MolWeight> (6,293)
341.40092

>  <COMPOUND_NAME> (6,293)
WAY-324216

>  <BAR_CODE_NO> (6,293)
299217

$$$$
WAY-324242-A
csChFnd80/06171916332D

 24 26  0  0  0  0  0  0  0  0999 V2000
    4.3667   -3.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6542   -2.7000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.5167   -3.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3667   -3.9292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2375   -2.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9500   -3.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5167   -3.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667   -4.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1875   -4.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1000   -2.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542   -5.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042   -5.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6667   -1.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5375   -5.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875   -5.4667    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.2375   -1.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042   -3.9292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0875   -4.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6667   -4.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9500   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4500   -4.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6542   -5.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1000   -5.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3667   -5.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  7  1  0  0  0  0
  4  1  1  0  0  0  0
  5  6  1  0  0  0  0
  6  2  1  0  0  0  0
  7  5  1  0  0  0  0
  8  3  1  0  0  0  0
  9  3  2  0  0  0  0
 10  1  2  0  0  0  0
 11  8  2  0  0  0  0
 12  9  1  0  0  0  0
 13  2  1  0  0  0  0
 14 12  2  0  0  0  0
 15 12  1  0  0  0  0
 16 20  1  0  0  0  0
 17  8  1  0  0  0  0
 18  4  1  0  0  0  0
 19  4  1  0  0  0  0
 20 13  1  0  0  0  0
 21 17  1  0  0  0  0
 22 19  1  0  0  0  0
 23 18  1  0  0  0  0
 24 22  1  0  0  0  0
 23 24  1  0  0  0  0
  5 16  1  0  0  0  0
 11 14  1  0  0  0  0
M  END
>  <Mol_ID> (6,294)
6294

>  <Formula> (6,294)
C19H27BrN2O2

>  <MolWeight> (6,294)
395.33388

>  <COMPOUND_NAME> (6,294)
WAY-324242-A

>  <BAR_CODE_NO> (6,294)
299243

$$$$
WAY-324258-A
csChFnd80/06171916332D

 26 28  0  0  0  0  0  0  0  0999 V2000
    4.3667   -3.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6542   -2.7000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.8500   -5.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5167   -3.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542   -4.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3667   -3.9292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2375   -2.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9500   -3.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5167   -3.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5167   -5.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1000   -2.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1875   -4.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917   -5.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1792   -5.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667   -3.9167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6667   -1.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2375   -1.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5292   -6.2542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9542   -4.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1792   -4.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9500   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4708   -5.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667   -3.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8875   -6.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2667   -4.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5042   -5.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  5  2  0  0  0  0
  4  9  1  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  8  1  0  0  0  0
  8  2  1  0  0  0  0
  9  7  1  0  0  0  0
 10 13  2  0  0  0  0
 11  1  2  0  0  0  0
 12  4  2  0  0  0  0
 13 12  1  0  0  0  0
 14  3  1  0  0  0  0
 15  5  1  0  0  0  0
 16  2  1  0  0  0  0
 17 21  1  0  0  0  0
 18 10  1  0  0  0  0
 19  6  1  0  0  0  0
 20  6  1  0  0  0  0
 21 16  1  0  0  0  0
 22 14  1  0  0  0  0
 23 15  1  0  0  0  0
 24 18  1  0  0  0  0
 25 20  1  0  0  0  0
 26 19  1  0  0  0  0
 25 26  1  0  0  0  0
  7 17  1  0  0  0  0
 10  3  1  0  0  0  0
M  END
>  <Mol_ID> (6,295)
6295

>  <Formula> (6,295)
C20H30N2O4

>  <MolWeight> (6,295)
362.4632

>  <COMPOUND_NAME> (6,295)
WAY-324258-A

>  <BAR_CODE_NO> (6,295)
299259

$$$$
WAY-324284-A
csChFnd80/06171916332D

 27 30  0  0  0  0  0  0  0  0999 V2000
    2.7292   -5.8167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9667   -5.5375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333   -3.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0708   -2.7542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1500   -3.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042   -3.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0042   -5.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4500   -4.9792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3125   -4.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4875   -6.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417   -6.5792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3500   -6.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8500   -4.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958   -2.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5875   -5.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0875   -4.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7875   -4.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042   -4.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5667   -3.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0875   -4.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7875   -3.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8500   -2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292   -3.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292   -1.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3500   -2.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292   -2.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292   -1.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  9  1  0  0  0  0
  4  5  1  0  0  0  0
  5  3  2  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8 16  1  0  0  0  0
  9  8  1  0  0  0  0
 10  1  2  0  0  0  0
 11  1  2  0  0  0  0
 12  2  1  0  0  0  0
 13  2  1  0  0  0  0
 14  6  2  0  0  0  0
 15 12  1  0  0  0  0
 16 13  1  0  0  0  0
 17  7  1  0  0  0  0
 18  7  2  0  0  0  0
 19 21  2  0  0  0  0
 20 17  2  0  0  0  0
 21 18  1  0  0  0  0
 22 19  1  0  0  0  0
 23  6  1  0  0  0  0
 24 14  1  0  0  0  0
 25 22  1  0  0  0  0
 26 23  2  0  0  0  0
 27 26  1  0  0  0  0
 19 20  1  0  0  0  0
 15  8  1  0  0  0  0
 14  4  1  0  0  0  0
 27 24  2  0  0  0  0
M  END
>  <Mol_ID> (6,296)
6296

>  <Formula> (6,296)
C20H23N3O3S

>  <MolWeight> (6,296)
385.47992

>  <COMPOUND_NAME> (6,296)
WAY-324284-A

>  <BAR_CODE_NO> (6,296)
299285

$$$$
WAY-324315
csChFnd80/06171916332D

 27 30  0  0  0  0  0  0  0  0999 V2000
    5.6542   -3.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3042   -3.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9542   -3.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0042   -3.8167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.6167   -3.8167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0042   -4.5667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3542   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6542   -2.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3542   -5.6875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3542   -3.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9542   -2.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3542   -2.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3042   -2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2667   -3.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6167   -2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7042   -4.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3042   -4.5667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2667   -2.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7042   -6.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0542   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7042   -2.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7042   -3.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0542   -5.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9167   -3.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4042   -4.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0542   -2.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0542   -3.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  2  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  1  1  0  0  0  0
  9  7  2  0  0  0  0
 10  4  1  0  0  0  0
 11 13  1  0  0  0  0
 12 10  1  0  0  0  0
 13  8  2  0  0  0  0
 14  5  1  0  0  0  0
 15 11  2  0  0  0  0
 16  7  1  0  0  0  0
 17  2  1  0  0  0  0
 18 15  1  0  0  0  0
 19  9  1  0  0  0  0
 20 16  2  0  0  0  0
 21 12  2  0  0  0  0
 22 10  2  0  0  0  0
 23 20  1  0  0  0  0
 24 14  1  0  0  0  0
 25 20  1  0  0  0  0
 26 27  2  0  0  0  0
 27 22  1  0  0  0  0
  3 11  1  0  0  0  0
 14 18  2  0  0  0  0
 21 26  1  0  0  0  0
 23 19  2  0  0  0  0
M  END
>  <Mol_ID> (6,297)
6297

>  <Formula> (6,297)
C22H20N4O

>  <MolWeight> (6,297)
356.4204

>  <COMPOUND_NAME> (6,297)
WAY-324315

>  <BAR_CODE_NO> (6,297)
299316

$$$$
WAY-324331
csChFnd80/06171916332D

 22 24  0  0  0  0  0  0  0  0999 V2000
    3.5292   -3.3542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0167   -2.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5292   -2.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7500   -2.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7500   -3.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6000   -4.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7875   -4.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1500   -3.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9542   -3.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8500   -2.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8167   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8542   -5.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5000   -3.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2375   -2.4667    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0167   -1.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167   -3.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2042   -4.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3042   -3.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042   -2.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042   -3.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0042   -4.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5542   -4.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  1  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  2  2  0  0  0  0
 11  3  2  0  0  0  0
 12  6  2  0  0  0  0
 13  9  1  0  0  0  0
 14 13  1  0  0  0  0
 15  4  2  0  0  0  0
 16  5  2  0  0  0  0
 17  9  2  0  0  0  0
 18 13  2  0  0  0  0
 19 20  2  0  0  0  0
 20 16  1  0  0  0  0
 21 17  1  0  0  0  0
 22 21  2  0  0  0  0
  4  3  1  0  0  0  0
 19 15  1  0  0  0  0
 22 18  1  0  0  0  0
M  END
>  <Mol_ID> (6,298)
6298

>  <Formula> (6,298)
C16H11ClN2O3

>  <MolWeight> (6,298)
314.72314

>  <COMPOUND_NAME> (6,298)
WAY-324331

>  <BAR_CODE_NO> (6,298)
299332

$$$$
WAY-324335
csChFnd80/06171916332D

 23 25  0  0  0  0  0  0  0  0999 V2000
    1.1000   -3.6667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5792   -2.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0875   -2.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3000   -2.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3000   -3.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2292   -5.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1542   -4.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4167   -5.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3500   -4.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -2.9792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3375   -1.5292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7042   -4.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4875   -6.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7667   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -2.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -3.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8500   -5.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792   -5.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3000   -6.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5042   -4.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9375   -6.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208   -2.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208   -3.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8  7  1  0  0  0  0
  9  1  1  0  0  0  0
 10  2  2  0  0  0  0
 11  3  2  0  0  0  0
 12  7  2  0  0  0  0
 13  6  2  0  0  0  0
 14  6  1  0  0  0  0
 15  4  2  0  0  0  0
 16  5  2  0  0  0  0
 17 18  1  0  0  0  0
 18 14  2  0  0  0  0
 19 13  1  0  0  0  0
 20 14  1  0  0  0  0
 21 13  1  0  0  0  0
 22 23  2  0  0  0  0
 23 16  1  0  0  0  0
  3  4  1  0  0  0  0
 15 22  1  0  0  0  0
 19 17  2  0  0  0  0
M  END
>  <Mol_ID> (6,299)
6299

>  <Formula> (6,299)
C18H16N2O3

>  <MolWeight> (6,299)
308.33124

>  <COMPOUND_NAME> (6,299)
WAY-324335

>  <BAR_CODE_NO> (6,299)
299336

$$$$
WAY-324340
csChFnd80/06171916332D

 25 28  0  0  0  0  0  0  0  0999 V2000
    1.4042   -1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167   -0.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917   -0.3042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6792   -0.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917   -1.6500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208   -1.6167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -2.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208   -2.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5125   -2.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417    0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5042   -0.9792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -0.0875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2542    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9000    1.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167   -3.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9542    2.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1500    1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5042    1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3625   -3.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3333   -2.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2042    2.8208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0167    2.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833   -3.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6708   -3.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  2  0  0  0  0
  8  2  1  0  0  0  0
  9  8  1  0  0  0  0
 10  7  1  0  0  0  0
 11  4  1  0  0  0  0
 12  5  2  0  0  0  0
 13  3  1  0  0  0  0
 14 11  2  0  0  0  0
 15 11  1  0  0  0  0
 16  8  1  0  0  0  0
 17 18  1  0  0  0  0
 18 15  2  0  0  0  0
 19 14  1  0  0  0  0
 20  9  1  0  0  0  0
 21 10  1  0  0  0  0
 22 17  1  0  0  0  0
 23 22  1  0  0  0  0
 24 20  2  0  0  0  0
 25 21  2  0  0  0  0
  5  4  1  0  0  0  0
  9 10  2  0  0  0  0
 19 17  2  0  0  0  0
 25 24  1  0  0  0  0
M  END
>  <Mol_ID> (6,300)
6300

>  <Formula> (6,300)
C18H16N4OS2

>  <MolWeight> (6,300)
368.47584

>  <COMPOUND_NAME> (6,300)
WAY-324340

>  <BAR_CODE_NO> (6,300)
299341

$$$$
WAY-324359
csChFnd80/06171916332D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -2.0125    1.0125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0125    0.4208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5125    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5125    1.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0208    0.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0208    1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000   -0.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -0.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000   -1.3292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5125   -0.4542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5125    1.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000   -1.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000   -2.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000   -0.4542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.0792    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.5208    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5208    1.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000   -1.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0208    2.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0125    2.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000   -2.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0208    0.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0208    1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0208    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0125    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5125    3.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  2  0  0  0  0
  5  6  1  0  0  0  0
  6  4  1  0  0  0  0
  7  9  1  0  0  0  0
  8  2  1  0  0  0  0
  9  8  1  0  0  0  0
 10  7  1  0  0  0  0
 11  3  2  0  0  0  0
 12  4  1  0  0  0  0
 13 10  1  0  0  0  0
 14 13  2  0  0  0  0
 15  7  2  0  0  0  0
 16 14  1  0  0  0  0
 17 16  1  0  0  0  0
 18  5  2  0  0  0  0
 19  6  2  0  0  0  0
 20 21  2  0  0  0  0
 21 13  1  0  0  0  0
 22 12  1  0  0  0  0
 23 12  2  0  0  0  0
 24 20  1  0  0  0  0
 25 26  2  0  0  0  0
 26 19  1  0  0  0  0
 27 22  2  0  0  0  0
 28 23  1  0  0  0  0
 29 28  2  0  0  0  0
  5  3  1  0  0  0  0
 29 27  1  0  0  0  0
 18 25  1  0  0  0  0
 24 16  2  0  0  0  0
M  END
>  <Mol_ID> (6,301)
6301

>  <Formula> (6,301)
C23H18ClN3O2

>  <MolWeight> (6,301)
403.86092

>  <COMPOUND_NAME> (6,301)
WAY-324359

>  <BAR_CODE_NO> (6,301)
299360

$$$$
WAY-324712
csChFnd80/06171916332D

 26 29  0  0  0  0  0  0  0  0999 V2000
    6.4199    3.4774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0476    3.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6578    2.8507    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6692    3.8015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1781    2.8507    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8565    2.9171    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.0457    3.5770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3606    3.3681    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.8724    1.7319    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.3394    2.1946    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.6366    4.8676    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.0014    5.0433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9302    4.6489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8158    4.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.2356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3204    4.4283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5338    2.2493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0476    5.0062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1966    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6225    0.5330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6066    5.8165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8241    3.1221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4264    5.9395    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.9259    2.0326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4256    4.9613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2045    2.9171    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8  6  1  0  0  0  0
  9  6  1  0  0  0  0
 10  8  1  0  0  0  0
 11  1  1  0  0  0  0
 12 11  1  0  0  0  0
 13  7  1  0  0  0  0
 14  8  1  0  0  0  0
 15  9  1  0  0  0  0
 16 13  2  0  0  0  0
 17  7  2  0  0  0  0
 18  2  2  0  0  0  0
 19  9  1  0  0  0  0
 20 19  1  0  0  0  0
 21 14  2  0  0  0  0
 22 24  2  0  0  0  0
 23 13  1  0  0  0  0
 24 17  1  0  0  0  0
 25 14  1  0  0  0  0
 26 22  1  0  0  0  0
 12  4  2  0  0  0  0
 15 10  1  0  0  0  0
 20 10  1  0  0  0  0
 22 16  1  0  0  0  0
M  END
>  <Mol_ID> (6,302)
6302

>  <Formula> (6,302)
C18H16F2N2O3S

>  <MolWeight> (6,302)
378.3930464

>  <COMPOUND_NAME> (6,302)
WAY-324712

>  <BAR_CODE_NO> (6,302)
299713

$$$$
WAY-324714
csChFnd80/06171916332D

 25 28  0  0  0  0  0  0  0  0999 V2000
    6.3692    1.7111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9791    1.7324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6205    2.2699    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1935    2.4445    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7937    2.4270    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.5634    1.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8519    3.0614    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2125    2.5414    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.3095    3.2127    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.5031    0.2677    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.8708    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4863    4.2681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5587    4.3030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9486    1.2901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9791    0.3473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0582    2.0196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7762    5.5195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7363    0.1164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5655    2.5609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8851    4.2099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7384    1.4434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1428    0.2095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9507    2.6365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1274    1.4822    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  5  1  0  0  0  0
  8  5  1  0  0  0  0
  9  7  1  0  0  0  0
 10  1  1  0  0  0  0
 11 10  1  0  0  0  0
 12  7  1  0  0  0  0
 13  8  1  0  0  0  0
 14  6  1  0  0  0  0
 15  2  2  0  0  0  0
 16 17  1  0  0  0  0
 17  8  1  0  0  0  0
 18 12  2  0  0  0  0
 19 14  2  0  0  0  0
 20 14  1  0  0  0  0
 21 12  1  0  0  0  0
 22 24  1  0  0  0  0
 23 19  1  0  0  0  0
 24 20  2  0  0  0  0
 25 22  1  0  0  0  0
  6 11  2  0  0  0  0
  9 13  1  0  0  0  0
 23 22  2  0  0  0  0
 16  9  1  0  0  0  0
M  END
>  <Mol_ID> (6,303)
6303

>  <Formula> (6,303)
C18H17BrN2O3S

>  <MolWeight> (6,303)
421.30818

>  <COMPOUND_NAME> (6,303)
WAY-324714

>  <BAR_CODE_NO> (6,303)
299715

$$$$
WAY-324717
csChFnd80/06171916332D

 32 35  0  0  0  0  0  0  0  0999 V2000
    8.9513    5.5839    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1152    6.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0297    4.1106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8285    4.7906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6043    5.8956    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7024    3.6224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2786    3.4632    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3771    5.6493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1054    3.2693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0367    7.7155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4425    4.2413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4912    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4488    4.7906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8936    1.3905    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7824    3.6420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1882    1.8766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5356    3.7074    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1908    4.2086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6717    3.5940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6533    5.8629    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0498    9.0908    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.6440    7.7308    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.4425    7.7308    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.7240    2.1839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8552    4.3220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1651    2.2623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9533    1.5213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0997    3.6747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4118    1.6346    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.5362    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3420    2.5740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3117    5.0020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6  3  2  0  0  0  0
  7  3  1  0  0  0  0
  8  2  2  0  0  0  0
  9 18  1  0  0  0  0
 10  2  1  0  0  0  0
 11  7  2  0  0  0  0
 12 15  2  0  0  0  0
 13  4  1  0  0  0  0
 14 16  1  0  0  0  0
 15  9  1  0  0  0  0
 16  9  2  0  0  0  0
 17 13  1  0  0  0  0
 18 17  1  0  0  0  0
 19 11  1  0  0  0  0
 20 13  2  0  0  0  0
 21 10  1  0  0  0  0
 22 10  1  0  0  0  0
 23 10  1  0  0  0  0
 24 19  2  0  0  0  0
 25 19  1  0  0  0  0
 26 28  1  0  0  0  0
 27 24  1  0  0  0  0
 28 25  2  0  0  0  0
 29 26  1  0  0  0  0
 30 14  1  0  0  0  0
 31 17  1  0  0  0  0
 32 15  1  0  0  0  0
  6  4  1  0  0  0  0
  8 11  1  0  0  0  0
 27 26  2  0  0  0  0
 14 12  1  0  0  0  0
M  END
>  <Mol_ID> (6,304)
6304

>  <Formula> (6,304)
C21H18ClF3N6O

>  <MolWeight> (6,304)
462.8554296

>  <COMPOUND_NAME> (6,304)
WAY-324717

>  <BAR_CODE_NO> (6,304)
299718

$$$$
WAY-324725
csChFnd80/06171916332D

 32 35  0  0  0  0  0  0  0  0999 V2000
    2.0250    5.3875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1542    7.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1875    3.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4500    2.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2125    4.8375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6750    1.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5250    3.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5250    7.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5792    2.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9500    9.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6875    5.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4750    1.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3625    4.9375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5667    1.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2500    2.8500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5000    2.5458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0250    4.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5167    1.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0250    5.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4750   -0.9250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9125   10.5667    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.7875   11.2917    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.1667    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.1625    7.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1917    3.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6625    5.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5250    3.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4625    7.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000    5.3417    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  -14.5875    2.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7750   -1.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5375    4.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6  3  2  0  0  0  0
  7  3  1  0  0  0  0
  8  2  2  0  0  0  0
  9 18  1  0  0  0  0
 10  2  1  0  0  0  0
 11  7  2  0  0  0  0
 12  4  1  0  0  0  0
 13 17  2  0  0  0  0
 14  9  2  0  0  0  0
 15 14  1  0  0  0  0
 16 12  1  0  0  0  0
 17  9  1  0  0  0  0
 18 16  1  0  0  0  0
 19 11  1  0  0  0  0
 20 12  2  0  0  0  0
 21 10  1  0  0  0  0
 22 10  1  0  0  0  0
 23 10  1  0  0  0  0
 24 19  1  0  0  0  0
 25 19  2  0  0  0  0
 26 27  2  0  0  0  0
 27 25  1  0  0  0  0
 28 24  2  0  0  0  0
 29 26  1  0  0  0  0
 30 15  1  0  0  0  0
 31 14  1  0  0  0  0
 32 16  1  0  0  0  0
  4  6  1  0  0  0  0
 11  8  1  0  0  0  0
 28 26  1  0  0  0  0
 15 13  1  0  0  0  0
M  END
>  <Mol_ID> (6,305)
6305

>  <Formula> (6,305)
C21H18ClF3N6O

>  <MolWeight> (6,305)
462.8554296

>  <COMPOUND_NAME> (6,305)
WAY-324725

>  <BAR_CODE_NO> (6,305)
299726

$$$$
WAY-324728
csChFnd80/06171916332D

 30 33  0  0  0  0  0  0  0  0999 V2000
    5.7217   12.1426    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.6536    8.5537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6536    7.1229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2302    9.2614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4583    7.1440    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2400    7.8419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4583    8.5537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8607    7.8419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4001    9.2614    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1522   11.4097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2302    6.4308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4350   12.5788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   11.7009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2926   12.8728    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6353    9.9859    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6353    5.7217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7358   10.6964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9963   11.4265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9963    9.9817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4001   10.6964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1522    9.9817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8607    9.2614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6907    7.8419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4001    6.4308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4471    5.7316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2302    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6907    9.2614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0020    5.7316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0931    8.5537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4001    5.0211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  6  2  0  0  0  0
  4  9  1  0  0  0  0
  5  8  2  0  0  0  0
  6  2  1  0  0  0  0
  7  2  2  0  0  0  0
  8  7  1  0  0  0  0
  9 19  1  0  0  0  0
 10  1  1  0  0  0  0
 11  3  1  0  0  0  0
 12  1  2  0  0  0  0
 13  1  2  0  0  0  0
 14  1  1  0  0  0  0
 15  4  2  0  0  0  0
 16 11  2  0  0  0  0
 17 10  1  0  0  0  0
 18 10  2  0  0  0  0
 19 20  2  0  0  0  0
 20 18  1  0  0  0  0
 21 17  2  0  0  0  0
 22  7  1  0  0  0  0
 23  8  1  0  0  0  0
 24 11  1  0  0  0  0
 25 16  1  0  0  0  0
 26 16  1  0  0  0  0
 27 22  2  0  0  0  0
 28 24  2  0  0  0  0
 29 27  1  0  0  0  0
 30 28  1  0  0  0  0
 21 19  1  0  0  0  0
  5  3  1  0  0  0  0
 23 29  2  0  0  0  0
 26 30  2  0  0  0  0
M  END
>  <Mol_ID> (6,306)
6306

>  <Formula> (6,306)
C23H19N3O3S

>  <MolWeight> (6,306)
417.48026

>  <COMPOUND_NAME> (6,306)
WAY-324728

>  <BAR_CODE_NO> (6,306)
299729

$$$$
WAY-324741
csChFnd80/06171916332D

 25 26  0  0  0  0  0  0  0  0999 V2000
    6.7966    4.8530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4051    4.9658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3128    6.1522    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.0889    6.3111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5282    3.6479    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2821    7.0137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    3.6479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4872    3.8786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6222    2.4325    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.0120    2.4256    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.7077    3.6171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6359    4.8718    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9744    2.5436    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0171    4.8359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1282    3.6017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1436    4.1351    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7778    6.8581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4256    8.4342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.2222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7077    1.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2547    3.0735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8769    3.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6171    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9949    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.2427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  5  1  0  0  0  0
  8  2  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12  7  2  0  0  0  0
 13  8  2  0  0  0  0
 14 11  2  0  0  0  0
 15 11  1  0  0  0  0
 16  8  1  0  0  0  0
 17  4  1  0  0  0  0
 18  6  1  0  0  0  0
 19  9  1  0  0  0  0
 20 10  1  0  0  0  0
 21 16  1  0  0  0  0
 22 21  1  0  0  0  0
 23 19  1  0  0  0  0
 24 23  1  0  0  0  0
 25 22  1  0  0  0  0
  6  4  2  0  0  0  0
 20 24  1  0  0  0  0
M  END
>  <Mol_ID> (6,307)
6307

>  <Formula> (6,307)
C18H25NO5S

>  <MolWeight> (6,307)
367.4598

>  <COMPOUND_NAME> (6,307)
WAY-324741

>  <BAR_CODE_NO> (6,307)
299742

$$$$
WAY-324747
csChFnd80/06171916332D

 31 33  0  0  0  0  0  0  0  0999 V2000
    8.1528    4.8735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7641    5.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4528    6.3829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7131    6.1792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.6810    7.0886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8810    3.6566    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2810    3.6566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8320    3.9452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9773    2.4377    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.3697    2.4283    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.0659    3.6264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1509    6.9169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9923    4.8830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2830    8.5471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5735    8.0093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3169    2.6132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3754    4.8452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9717    8.2980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0415    6.0829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6943    8.8471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7509    6.6433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4754    4.2037    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.4904    3.6113    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8358    8.4735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2848    1.2264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0697    1.2113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8283    9.8490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.0848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7358    7.2565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9754    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3508    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  2  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12  3  1  0  0  0  0
 13  7  2  0  0  0  0
 14 15  1  0  0  0  0
 15 21  1  0  0  0  0
 16  8  2  0  0  0  0
 17 11  2  0  0  0  0
 18 12  2  0  0  0  0
 19 12  1  0  0  0  0
 20 18  1  0  0  0  0
 21 19  2  0  0  0  0
 22  8  1  0  0  0  0
 23 11  1  0  0  0  0
 24  5  1  0  0  0  0
 25  9  1  0  0  0  0
 26 10  1  0  0  0  0
 27 14  1  0  0  0  0
 28 14  1  0  0  0  0
 29 14  1  0  0  0  0
 30 25  1  0  0  0  0
 31 30  1  0  0  0  0
  5  3  2  0  0  0  0
 20 15  2  0  0  0  0
 26 31  1  0  0  0  0
M  END
>  <Mol_ID> (6,308)
6308

>  <Formula> (6,308)
C24H30N2O4S

>  <MolWeight> (6,308)
442.571

>  <COMPOUND_NAME> (6,308)
WAY-324747

>  <BAR_CODE_NO> (6,308)
299748

$$$$
WAY-324758
csChFnd80/06171916332D

 24 26  0  0  0  0  0  0  0  0999 V2000
    3.7545    4.7515    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4434    4.3256    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5670    3.6446    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7545    2.4964    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2777    5.1106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9703    3.6446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6729    2.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0506    2.4258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4434    2.9262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7552    3.6446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1624    3.6446    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4249    6.5080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6729    4.8555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0506    4.8555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.5513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8630    4.8555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7552    1.2227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2545    4.8260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0506    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9591    3.6151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9591    6.0232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3663    6.0232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3663    3.6151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0728    4.8260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  2  1  0  0  0  0
 10 14  1  0  0  0  0
 11 10  1  0  0  0  0
 12  5  2  0  0  0  0
 13  6  1  0  0  0  0
 14 13  2  0  0  0  0
 15  5  1  0  0  0  0
 16 11  1  0  0  0  0
 17  8  1  0  0  0  0
 18 16  1  0  0  0  0
 19 17  1  0  0  0  0
 20 18  2  0  0  0  0
 21 18  1  0  0  0  0
 22 21  2  0  0  0  0
 23 20  1  0  0  0  0
 24 22  1  0  0  0  0
  9  4  1  0  0  0  0
  8 10  2  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (6,309)
6309

>  <Formula> (6,309)
C18H19NO4S

>  <MolWeight> (6,309)
345.41276

>  <COMPOUND_NAME> (6,309)
WAY-324758

>  <BAR_CODE_NO> (6,309)
299759

$$$$
WAY-324759
csChFnd80/06171916332D

 31 34  0  0  0  0  0  0  0  0999 V2000
    0.4625   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2167   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0250   -2.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6292    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3000   -1.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4667   -3.9750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9042   -3.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5875   -2.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9625    1.0458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458   -1.0375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7417   -3.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6500   -0.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9000    2.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1125   -3.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8833    2.1208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0875   -5.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6292   -0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0542    0.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3625    3.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8375    3.7375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5917   -5.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.6625    2.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8375   -4.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.1625   -4.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.7750   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4625   -2.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0250    1.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0000    3.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3625    2.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6875   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2250    1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  8  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8 10  1  0  0  0  0
  9  4  1  0  0  0  0
 10  1  1  0  0  0  0
 11  3  2  0  0  0  0
 12 14  2  0  0  0  0
 13  2  1  0  0  0  0
 14 11  1  0  0  0  0
 15  4  2  0  0  0  0
 16  8  2  0  0  0  0
 17  5  1  0  0  0  0
 18 12  1  0  0  0  0
 19 13  2  0  0  0  0
 20 13  1  0  0  0  0
 21  7  1  0  0  0  0
 22 18  1  0  0  0  0
 23 14  1  0  0  0  0
 24 23  2  0  0  0  0
 25 24  1  0  0  0  0
 26 17  2  0  0  0  0
 27 17  1  0  0  0  0
 28 22  1  0  0  0  0
 29 27  2  0  0  0  0
 30 26  1  0  0  0  0
 31 29  1  0  0  0  0
  7  5  2  0  0  0  0
 12  9  1  0  0  0  0
 30 31  2  0  0  0  0
 25 18  2  0  0  0  0
M  END
>  <Mol_ID> (6,310)
6310

>  <Formula> (6,310)
C23H18N2O5S

>  <MolWeight> (6,310)
434.46442

>  <COMPOUND_NAME> (6,310)
WAY-324759

>  <BAR_CODE_NO> (6,310)
299760

$$$$
WAY-324407
csChFnd80/06171916332D

 33 36  0  0  0  0  0  0  0  0999 V2000
   -0.0500   -2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0500   -2.6167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333   -1.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333   -2.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9833   -2.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9833   -2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333   -1.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0500   -1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0500   -0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333   -3.4042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167    0.2833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9833   -1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167    0.2833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9833   -0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167    1.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667    1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167    1.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167   -2.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167    2.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333   -2.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333   -1.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667    2.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667    2.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167    3.4208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333    0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667    3.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8833   -2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8833   -2.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  6  1  0  0  0  0
  6  3  1  0  0  0  0
  7  3  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10 12  1  0  0  0  0
 11  4  2  0  0  0  0
 12 15  1  0  0  0  0
 13 17  1  0  0  0  0
 14  7  1  0  0  0  0
 15  9  1  0  0  0  0
 16 10  2  0  0  0  0
 17 14  2  0  0  0  0
 18 19  1  0  0  0  0
 19 10  1  0  0  0  0
 20 18  1  0  0  0  0
 21  2  1  0  0  0  0
 22 27  2  0  0  0  0
 23  5  2  0  0  0  0
 24  6  2  0  0  0  0
 25 20  1  0  0  0  0
 26 20  2  0  0  0  0
 27 26  1  0  0  0  0
 28 25  2  0  0  0  0
 29 22  1  0  0  0  0
 30 13  1  0  0  0  0
 31 29  1  0  0  0  0
 32 24  1  0  0  0  0
 33 32  2  0  0  0  0
  4  5  1  0  0  0  0
  9 13  2  0  0  0  0
 23 33  1  0  0  0  0
 22 28  1  0  0  0  0
M  END
>  <Mol_ID> (6,311)
6311

>  <Formula> (6,311)
C26H25N3O4

>  <MolWeight> (6,311)
443.4944

>  <COMPOUND_NAME> (6,311)
WAY-324407

>  <BAR_CODE_NO> (6,311)
299408

$$$$
WAY-324413
csChFnd80/06171916332D

 17 19  0  0  0  0  0  0  0  0999 V2000
    0.8167   -0.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5667   -0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6667   -1.7167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2792   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4875   -1.5542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0500   -0.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5875   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1667    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5500   -0.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4042   -0.1042    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.0458   -1.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7000   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8625   -1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1958   -0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  2  1  0  0  0  0
  6  2  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
  9  5  2  0  0  0  0
 10  9  1  0  0  0  0
 11  3  1  0  0  0  0
 12  8  1  0  0  0  0
 13 11  1  0  0  0  0
 14 11  2  0  0  0  0
 15 14  1  0  0  0  0
 16 13  2  0  0  0  0
 17 15  2  0  0  0  0
  4  6  1  0  0  0  0
  8 10  2  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (6,312)
6312

>  <Formula> (6,312)
C12H7BrN2O2

>  <MolWeight> (6,312)
291.10018

>  <COMPOUND_NAME> (6,312)
WAY-324413

>  <BAR_CODE_NO> (6,312)
299414

$$$$
WAY-324418
csChFnd80/06171916332D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -0.8833   -1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4625   -0.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4625   -2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542   -0.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8625    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000   -0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000    0.0833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000   -1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458    1.3625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208    3.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7000    3.2833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208   -2.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2625   -0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458    3.7708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2625   -2.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1458   -0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1458   -1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  2  1  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8  3  1  0  0  0  0
  9  5  1  0  0  0  0
 10 12  1  0  0  0  0
 11 10  2  0  0  0  0
 12  9  1  0  0  0  0
 13  3  1  0  0  0  0
 14  6  1  0  0  0  0
 15 10  1  0  0  0  0
 16  8  1  0  0  0  0
 17 14  2  0  0  0  0
 18 16  2  0  0  0  0
  7  5  2  0  0  0  0
  6  8  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (6,313)
6313

>  <Formula> (6,313)
C11H10N4O2S

>  <MolWeight> (6,313)
262.2877

>  <COMPOUND_NAME> (6,313)
WAY-324418

>  <BAR_CODE_NO> (6,313)
299419

$$$$
WAY-324420
csChFnd80/06171916332D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.7292   -1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2000   -1.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7292   -2.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9667   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333   -1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333   -2.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667    0.1708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2292    1.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4875    0.7833    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.4292    1.6708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9875   -3.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7875    2.0833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458   -1.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458   -2.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667    0.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4500   -1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4500   -2.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  2  2  0  0  0  0
  6  3  2  0  0  0  0
  7  1  1  0  0  0  0
  8  7  2  0  0  0  0
  9  3  1  0  0  0  0
 10 11  1  0  0  0  0
 11  9  1  0  0  0  0
 12 10  2  0  0  0  0
 13  4  1  0  0  0  0
 14 10  1  0  0  0  0
 15  7  1  0  0  0  0
 16  8  1  0  0  0  0
 17 11  1  0  0  0  0
 18 15  2  0  0  0  0
 19 18  1  0  0  0  0
  8  4  1  0  0  0  0
  6  5  1  0  0  0  0
 16 19  2  0  0  0  0
M  END
>  <Mol_ID> (6,314)
6314

>  <Formula> (6,314)
C12H12N4O2S

>  <MolWeight> (6,314)
276.31428

>  <COMPOUND_NAME> (6,314)
WAY-324420

>  <BAR_CODE_NO> (6,314)
299421

$$$$
WAY-324461
csChFnd80/06171916332D

 19 20  0  0  0  0  0  0  0  0999 V2000
    2.3596    0.4553    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5263   -0.1155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5388   -0.1155    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0513   -0.4947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7221    0.4803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9263   -0.2822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5987    0.1178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0721   -0.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0237    0.2053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4221    0.8678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6612   -0.2197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9779    0.5803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7987   -0.4322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4596    0.1678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3612    0.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0763   -0.2697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3862   -0.5322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5737    0.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7737   -0.0697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  1  2  0  0  0  0
  6  2  1  0  0  0  0
  7  9  1  0  0  0  0
  8  4  1  0  0  0  0
  9 11  1  0  0  0  0
 10  5  1  0  0  0  0
 11 15  1  0  0  0  0
 12  7  2  0  0  0  0
 13  7  1  0  0  0  0
 14  6  1  0  0  0  0
 15 16  1  0  0  0  0
 16 14  1  0  0  0  0
 17 13  2  0  0  0  0
 18 12  1  0  0  0  0
 19 17  1  0  0  0  0
  4  2  2  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (6,315)
6315

>  <Formula> (6,315)
C16H22N2O

>  <MolWeight> (6,315)
258.35868

>  <COMPOUND_NAME> (6,315)
WAY-324461

>  <BAR_CODE_NO> (6,315)
299462

$$$$
WAY-324474-A
csChFnd80/06171916332D

 18 19  0  0  0  0  0  0  0  0999 V2000
    1.3824   -0.0170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5789    0.5795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9065   -0.3964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7824   -0.1826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2168    0.5519    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2789    0.9657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3962   -0.0170    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9272   -0.8688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3168    0.2657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0659   -0.1722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5038    0.2519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1038    0.0968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2556   -0.5170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5659    0.5312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8659   -0.6964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1728    0.3519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3314   -0.2550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9211   -0.4722    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
  5  7  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (6,316)
6316

>  <Formula> (6,316)
C14H17FN2O

>  <MolWeight> (6,316)
248.2959832

>  <COMPOUND_NAME> (6,316)
WAY-324474-A

>  <BAR_CODE_NO> (6,316)
299475

$$$$
WAY-324483
csChFnd80/06171916332D

 26 30  0  0  0  0  0  0  0  0999 V2000
    2.6542    0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5542   -0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542   -1.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542   -0.4000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.5542   -1.4375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6542   -1.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542   -1.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6542    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542    0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6542   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7375    1.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542   -3.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0625   -0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4542    0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9625    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0625    1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9625    0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8625    1.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5542    1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0625   -1.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4542    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0625   -3.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9625   -1.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9625   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  2  0  0  0  0
  7  3  1  0  0  0  0
  8  1  1  0  0  0  0
  9  4  1  0  0  0  0
 10  6  1  0  0  0  0
 11  8  2  0  0  0  0
 12  7  2  0  0  0  0
 13 12  1  0  0  0  0
 14  9  2  0  0  0  0
 15  9  1  0  0  0  0
 16  2  1  0  0  0  0
 17 19  1  0  0  0  0
 18 14  1  0  0  0  0
 19 15  2  0  0  0  0
 20 17  1  0  0  0  0
 21  8  1  0  0  0  0
 22  7  1  0  0  0  0
 23 21  1  0  0  0  0
 24 12  1  0  0  0  0
 25 22  2  0  0  0  0
 26 25  1  0  0  0  0
 23 16  1  0  0  0  0
  6  5  1  0  0  0  0
 18 17  2  0  0  0  0
 10 13  2  0  0  0  0
 26 24  2  0  0  0  0
M  END
>  <Mol_ID> (6,317)
6317

>  <Formula> (6,317)
C23H19NO2

>  <MolWeight> (6,317)
341.40246

>  <COMPOUND_NAME> (6,317)
WAY-324483

>  <BAR_CODE_NO> (6,317)
299484

$$$$
WAY-325695
csChFnd80/06171916332D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -0.4125   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667   -2.2000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333   -0.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9875   -0.6667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -1.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4125   -1.7375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1000   -0.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1000   -1.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7708   -0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6458    0.6333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4167    0.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3875    0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6792   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5708    1.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7708    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7708   -0.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9500   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042   -1.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2708    0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6792   -0.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9500   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1500    1.4708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1292    0.9333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1792    1.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8542    1.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 13  2  0  0  0  0
 12 20  2  0  0  0  0
 13 17  1  0  0  0  0
 14 10  1  0  0  0  0
 15  7  2  0  0  0  0
 16  9  2  0  0  0  0
 17 18  1  0  0  0  0
 18  5  1  0  0  0  0
 19 16  1  0  0  0  0
 20 21  1  0  0  0  0
 21 17  2  0  0  0  0
 22 11  1  0  0  0  0
 23 12  1  0  0  0  0
 24 22  1  0  0  0  0
 25 23  1  0  0  0  0
  4  5  2  0  0  0  0
 19 14  2  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (6,318)
6318

>  <Formula> (6,318)
C17H17N3O3S2

>  <MolWeight> (6,318)
375.46518

>  <COMPOUND_NAME> (6,318)
WAY-325695

>  <BAR_CODE_NO> (6,318)
300696

$$$$
WAY-325748
csChFnd80/06171916332D

 29 33  0  0  0  0  0  0  0  0999 V2000
    2.6125   -0.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3917   -1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6125   -1.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8792   -1.1792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1917   -0.7667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1917   -1.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9000   -2.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9000   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7292   -2.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5542   -2.6917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4000   -0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7042   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0417   -2.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2417   -3.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4750   -2.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9000    0.4708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4750   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250   -3.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5792   -4.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9000   -2.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667   -4.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0917   -4.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9375   -3.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1917   -0.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8625   -2.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792   -5.2667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9625   -5.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0250   -0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3542   -1.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  1  1  0  0  0  0
  4 11  1  0  0  0  0
  5  8  1  0  0  0  0
  6  5  1  0  0  0  0
  7  3  1  0  0  0  0
  8  1  1  0  0  0  0
  9  2  1  0  0  0  0
 10  9  2  0  0  0  0
 11  1  2  0  0  0  0
 12  4  1  0  0  0  0
 13 12  2  0  0  0  0
 14  9  1  0  0  0  0
 15  6  2  0  0  0  0
 16  8  2  0  0  0  0
 17  5  1  0  0  0  0
 18 14  2  0  0  0  0
 19 14  1  0  0  0  0
 20  7  1  0  0  0  0
 21 22  1  0  0  0  0
 22 19  2  0  0  0  0
 23 18  1  0  0  0  0
 24 12  1  0  0  0  0
 25 13  1  0  0  0  0
 26 21  1  0  0  0  0
 27 26  1  0  0  0  0
 28 24  2  0  0  0  0
 29 28  1  0  0  0  0
  4  2  1  0  0  0  0
  7  6  1  0  0  0  0
 10 13  1  0  0  0  0
 25 29  2  0  0  0  0
 23 21  2  0  0  0  0
M  END
>  <Mol_ID> (6,319)
6319

>  <Formula> (6,319)
C22H18N4O3

>  <MolWeight> (6,319)
386.40332

>  <COMPOUND_NAME> (6,319)
WAY-325748

>  <BAR_CODE_NO> (6,319)
300749

$$$$
WAY-325764
csChFnd80/06171916332D

 25 27  0  0  0  0  0  0  0  0999 V2000
    5.9917   -4.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5042   -5.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8167   -4.6375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.5042   -3.9750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7250   -5.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7250   -4.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7625   -6.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6417   -4.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8125   -3.8125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8125   -5.4625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2125   -6.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4042   -6.5292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0500   -5.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4667   -7.4792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0167   -5.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0125   -3.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2667   -7.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6292   -6.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8667   -5.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3042   -5.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3042   -4.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8250   -7.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2792   -6.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0375   -6.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8625   -6.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  2  1  0  0  0  0
  8  3  1  0  0  0  0
  9  3  2  0  0  0  0
 10  3  2  0  0  0  0
 11  7  1  0  0  0  0
 12 11  2  0  0  0  0
 13  8  1  0  0  0  0
 14 11  1  0  0  0  0
 15  5  1  0  0  0  0
 16  6  1  0  0  0  0
 17 14  1  0  0  0  0
 18 13  2  0  0  0  0
 19 13  1  0  0  0  0
 20 15  2  0  0  0  0
 21 16  2  0  0  0  0
 22 17  1  0  0  0  0
 23 19  2  0  0  0  0
 24 18  1  0  0  0  0
 25 23  1  0  0  0  0
  6  5  2  0  0  0  0
 21 20  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (6,320)
6320

>  <Formula> (6,320)
C18H18N2O4S

>  <MolWeight> (6,320)
358.41152

>  <COMPOUND_NAME> (6,320)
WAY-325764

>  <BAR_CODE_NO> (6,320)
300765

$$$$
WAY-325765
csChFnd80/06171916332D

 26 28  0  0  0  0  0  0  0  0999 V2000
    0.5542    1.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1083    1.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2250    1.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1417    0.2833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667    0.2833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8958    1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417   -0.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0625   -0.5917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042    1.3208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.2417   -0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8417   -0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4542   -0.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4125    0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6667   -0.2917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7917    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6167    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0125    0.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0625    2.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3250   -0.0417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8542   -1.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2833    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2000    0.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9375   -0.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458    2.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4583    1.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  2  0  0  0  0
  6  2  1  0  0  0  0
  7 17  1  0  0  0  0
  8  7  1  0  0  0  0
  9  3  1  0  0  0  0
 10 13  1  0  0  0  0
 11  6  1  0  0  0  0
 12  8  1  0  0  0  0
 13 12  2  0  0  0  0
 14 16  1  0  0  0  0
 15  7  2  0  0  0  0
 16 18  2  0  0  0  0
 17  9  1  0  0  0  0
 18 12  1  0  0  0  0
 19  6  2  0  0  0  0
 20 11  1  0  0  0  0
 21 10  1  0  0  0  0
 22 11  2  0  0  0  0
 23 14  1  0  0  0  0
 24 20  1  0  0  0  0
 25 19  1  0  0  0  0
 26 25  2  0  0  0  0
  4  5  1  0  0  0  0
 22 26  1  0  0  0  0
 10 14  2  0  0  0  0
M  END
>  <Mol_ID> (6,321)
6321

>  <Formula> (6,321)
C19H20N4O2S

>  <MolWeight> (6,321)
368.4527

>  <COMPOUND_NAME> (6,321)
WAY-325765

>  <BAR_CODE_NO> (6,321)
300766

$$$$
WAY-325791
csChFnd80/06171916332D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -0.1458   -0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2625   -1.1667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0875    0.2458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708   -0.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4917   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9667   -0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167   -0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7917   -0.4875    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.5542    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5542   -1.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7292    0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7292   -1.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708    0.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458   -1.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458    0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3833    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3750   -1.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708   -1.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7 11  2  0  0  0  0
  8  6  1  0  0  0  0
  9  7  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12  8  1  0  0  0  0
 13  8  2  0  0  0  0
 14 17  2  0  0  0  0
 15  2  1  0  0  0  0
 16  3  2  0  0  0  0
 17  5  1  0  0  0  0
 18  5  2  0  0  0  0
 19 18  1  0  0  0  0
 16 14  1  0  0  0  0
 19 15  2  0  0  0  0
 10  7  1  0  0  0  0
M  END
>  <Mol_ID> (6,322)
6322

>  <Formula> (6,322)
C16H12BrNO

>  <MolWeight> (6,322)
314.17658

>  <COMPOUND_NAME> (6,322)
WAY-325791

>  <BAR_CODE_NO> (6,322)
300792

$$$$
WAY-325809
csChFnd80/06171916332D

 18 21  0  0  0  0  0  0  0  0999 V2000
    5.9250   -3.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1792   -4.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0042   -4.5417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2625   -3.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5917   -3.2750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.1292   -3.5875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.6292   -5.1542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8792   -2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5167   -3.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5750   -4.1917    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.0750   -2.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8250   -4.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0500   -3.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7667   -4.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4250   -2.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8167   -1.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1875   -1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3792   -1.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9 14  1  0  0  0  0
 10  6  1  0  0  0  0
 11  8  1  0  0  0  0
 12 10  1  0  0  0  0
 13  4  2  0  0  0  0
 14 10  1  0  0  0  0
 15  8  2  0  0  0  0
 16 11  2  0  0  0  0
 17 15  1  0  0  0  0
 18 17  2  0  0  0  0
  3  4  1  0  0  0  0
 12  7  1  0  0  0  0
 11  9  1  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (6,323)
6323

>  <Formula> (6,323)
C13H11NO2S2

>  <MolWeight> (6,323)
277.36194

>  <COMPOUND_NAME> (6,323)
WAY-325809

>  <BAR_CODE_NO> (6,323)
300810

$$$$
WAY-325811
csChFnd80/06171916332D

 20 22  0  0  0  0  0  0  0  0999 V2000
    3.2125   -2.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4625   -1.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792   -2.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2792   -1.8792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7917   -1.3917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292   -1.8792    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.8792   -3.1417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3417   -1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5500   -2.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7375   -2.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9000   -3.3292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167   -2.9792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458   -1.9292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042   -3.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9000   -4.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083   -5.2125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.4917   -4.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4750   -3.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833   -3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1083   -4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8  6  1  0  0  0  0
  9  7  2  0  0  0  0
 10  8  1  0  0  0  0
 11  3  2  0  0  0  0
 12 10  1  0  0  0  0
 13 10  2  0  0  0  0
 14 12  1  0  0  0  0
 15 19  2  0  0  0  0
 16 15  1  0  0  0  0
 17 14  1  0  0  0  0
 18 14  2  0  0  0  0
 19 18  1  0  0  0  0
 20 17  2  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
 20 15  1  0  0  0  0
M  END
>  <Mol_ID> (6,324)
6324

>  <Formula> (6,324)
C12H9BrN4O2S

>  <MolWeight> (6,324)
353.19446

>  <COMPOUND_NAME> (6,324)
WAY-325811

>  <BAR_CODE_NO> (6,324)
300812

$$$$
WAY-326067
csChFnd80/06171916332D

 27 30  0  0  0  0  0  0  0  0999 V2000
    6.2878    3.8009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3293    5.1583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9512    3.3830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5605    5.8266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4983    3.0724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9907    5.5951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6900    5.1771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5107    2.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6900    3.7181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2170    4.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1326    1.8581    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5605    7.2253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4313    1.0222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8817    3.0498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8764    7.8711    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.4761    7.9784    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3664    3.0065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7542    0.5215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0940    3.7388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8591    1.6906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9827    3.0912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4458    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1129    0.9394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3253    3.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1883    0.6664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3478    1.6491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  9  1  0  0  0  0
  8  3  1  0  0  0  0
  9  5  2  0  0  0  0
 10  3  1  0  0  0  0
 11  8  1  0  0  0  0
 12  4  1  0  0  0  0
 13  8  2  0  0  0  0
 14  9  1  0  0  0  0
 15 12  1  0  0  0  0
 16 12  1  0  0  0  0
 17 11  1  0  0  0  0
 18 11  1  0  0  0  0
 19 14  1  0  0  0  0
 20 14  2  0  0  0  0
 21 17  1  0  0  0  0
 22 18  1  0  0  0  0
 23 20  1  0  0  0  0
 24 19  2  0  0  0  0
 25 22  1  0  0  0  0
 26 23  2  0  0  0  0
 27 21  1  0  0  0  0
  6 10  2  0  0  0  0
  4  7  2  0  0  0  0
 26 24  1  0  0  0  0
 25 27  1  0  0  0  0
M  END
>  <Mol_ID> (6,325)
6325

>  <Formula> (6,325)
C20H20F2N4O

>  <MolWeight> (6,325)
370.3958064

>  <COMPOUND_NAME> (6,325)
WAY-326067

>  <BAR_CODE_NO> (6,325)
301068

$$$$
WAY-326075
csChFnd80/06171916332D

 30 34  0  0  0  0  0  0  0  0999 V2000
    8.2216    3.4694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2669    4.8258    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8859    3.0505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5007    5.4974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4384    2.7336    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9312    5.2673    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6307    4.8466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4445    1.7545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0635    1.5243    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6307    3.3845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1558    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5007    6.9010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1655    2.5884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8072    2.3563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5825    0.2264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3651    0.6867    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8249    2.7166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3054    1.0640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2053    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4121    7.6537    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.8194    7.5481    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.9299    3.4882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9018    0.8546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8023    1.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0380    3.4033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5263    3.2600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.9413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0606    0.6056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2755    2.7336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2982    1.3149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7 10  1  0  0  0  0
  8  3  1  0  0  0  0
  9  8  1  0  0  0  0
 10  5  2  0  0  0  0
 11  3  1  0  0  0  0
 12  4  1  0  0  0  0
 13  9  1  0  0  0  0
 14 13  1  0  0  0  0
 15  9  1  0  0  0  0
 16  8  2  0  0  0  0
 17 10  1  0  0  0  0
 18 19  1  0  0  0  0
 19 15  1  0  0  0  0
 20 12  1  0  0  0  0
 21 12  1  0  0  0  0
 22 14  2  0  0  0  0
 23 18  2  0  0  0  0
 24 17  2  0  0  0  0
 25 17  1  0  0  0  0
 26 22  1  0  0  0  0
 27 23  1  0  0  0  0
 28 24  1  0  0  0  0
 29 25  2  0  0  0  0
 30 29  1  0  0  0  0
  6 11  2  0  0  0  0
  4  7  2  0  0  0  0
 30 28  2  0  0  0  0
 18 14  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <Mol_ID> (6,326)
6326

>  <Formula> (6,326)
C23H18F2N4O

>  <MolWeight> (6,326)
404.4120264

>  <COMPOUND_NAME> (6,326)
WAY-326075

>  <BAR_CODE_NO> (6,326)
301076

$$$$
WAY-326081
csChFnd80/06171916332D

 26 29  0  0  0  0  0  0  0  0999 V2000
    5.9248    3.4814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9701    4.8414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5898    3.0598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2099    5.5077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1464    2.7471    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6261    5.2765    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3863    4.7960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1478    1.7611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3432    3.3930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8554    4.2158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7675    1.5254    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2915    6.9062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0680    0.6890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5399    2.7221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.0630    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.5336    7.5590    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.1152    7.6610    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.8631    2.5975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2870    0.2267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8998    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5032    2.3686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7525    3.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5558    1.2987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7729    0.6075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9901    2.7471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0150    1.3191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  9  1  0  0  0  0
  8  3  1  0  0  0  0
  9  5  2  0  0  0  0
 10  3  1  0  0  0  0
 11  8  1  0  0  0  0
 12  4  1  0  0  0  0
 13  8  2  0  0  0  0
 14  9  1  0  0  0  0
 15 20  1  0  0  0  0
 16 12  1  0  0  0  0
 17 12  1  0  0  0  0
 18 11  1  0  0  0  0
 19 11  1  0  0  0  0
 20 19  1  0  0  0  0
 21 18  1  0  0  0  0
 22 14  1  0  0  0  0
 23 14  2  0  0  0  0
 24 23  1  0  0  0  0
 25 22  2  0  0  0  0
 26 24  2  0  0  0  0
  6 10  2  0  0  0  0
  4  7  2  0  0  0  0
 21 15  1  0  0  0  0
 26 25  1  0  0  0  0
M  END
>  <Mol_ID> (6,327)
6327

>  <Formula> (6,327)
C18H16F2N4OS

>  <MolWeight> (6,327)
374.4076464

>  <COMPOUND_NAME> (6,327)
WAY-326081

>  <BAR_CODE_NO> (6,327)
301082

$$$$
WAY-326095
csChFnd80/06171916332D

 31 34  0  0  0  0  0  0  0  0999 V2000
    8.4815    3.6967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5268    5.0567    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1464    3.2751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7666    5.7230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1029    2.5204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7031    2.9624    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1827    5.4918    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9429    5.0113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9021    2.9828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0267    1.5752    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7045    1.9764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4116    1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8998    3.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2076    3.5471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4121    4.4311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4833    2.7471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3672    1.7044    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8482    7.1215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6247    0.9044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0966    2.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6718    7.8763    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.0902    7.7743    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9737    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5340    4.8867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9048    0.3808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1125    1.5140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3092    3.6287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5468    2.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3296    0.8228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5717    1.5344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5 16  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  2  0  0  0  0
 10 12  1  0  0  0  0
 11  3  1  0  0  0  0
 12  5  2  0  0  0  0
 13  6  2  0  0  0  0
 14  5  1  0  0  0  0
 15  3  1  0  0  0  0
 16 17  1  0  0  0  0
 17 11  1  0  0  0  0
 18  4  1  0  0  0  0
 19 11  2  0  0  0  0
 20 13  1  0  0  0  0
 21 18  1  0  0  0  0
 22 18  1  0  0  0  0
 23 10  1  0  0  0  0
 24 12  1  0  0  0  0
 25 14  1  0  0  0  0
 26 17  1  0  0  0  0
 27 20  2  0  0  0  0
 28 20  1  0  0  0  0
 29 28  2  0  0  0  0
 30 27  1  0  0  0  0
 31 29  1  0  0  0  0
  7 15  2  0  0  0  0
  4  8  2  0  0  0  0
 31 30  2  0  0  0  0
 10  9  1  0  0  0  0
M  END
>  <Mol_ID> (6,328)
6328

>  <Formula> (6,328)
C22H22F2N6O

>  <MolWeight> (6,328)
424.4464864

>  <COMPOUND_NAME> (6,328)
WAY-326095

>  <BAR_CODE_NO> (6,328)
301096

$$$$
WAY-326099
csChFnd80/06171916332D

 24 26  0  0  0  0  0  0  0  0999 V2000
    8.5295    2.8145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5295    4.2424    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1825    2.3844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7372    4.9357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1825    4.6759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7372    2.1263    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7541    1.0391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9535    4.2424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3619    3.5095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9535    2.8592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3710    0.7380    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7372    6.3619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6624    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4574    1.7771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5295    7.0534    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.9535    7.0534    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.1173    1.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2089    2.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2128    2.1676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0291    4.1564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9374    3.1190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6425    3.8553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8223    2.4257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8 10  1  0  0  0  0
  9  3  1  0  0  0  0
 10  6  2  0  0  0  0
 11  7  1  0  0  0  0
 12  4  1  0  0  0  0
 13  7  2  0  0  0  0
 14 11  1  0  0  0  0
 15 12  1  0  0  0  0
 16 12  1  0  0  0  0
 17 14  1  0  0  0  0
 18 17  2  0  0  0  0
 19 10  1  0  0  0  0
 20 21  1  0  0  0  0
 21 14  2  0  0  0  0
 22 20  2  0  0  0  0
 23 18  1  0  0  0  0
 24 23  1  0  0  0  0
  5  9  2  0  0  0  0
  4  8  2  0  0  0  0
 18 22  1  0  0  0  0
M  END
>  <Mol_ID> (6,329)
6329

>  <Formula> (6,329)
C17H16F2N4O

>  <MolWeight> (6,329)
330.3319464

>  <COMPOUND_NAME> (6,329)
WAY-326099

>  <BAR_CODE_NO> (6,329)
301100

$$$$
WAY-326100
csChFnd80/06171916332D

 24 26  0  0  0  0  0  0  0  0999 V2000
    8.2659    2.8288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2659    4.2831    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9389    2.4296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4597    4.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9389    4.6785    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4597    2.1216    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4941    1.0570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6574    4.2831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1443    3.5816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6574    2.8288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5054    6.4066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0797    0.7471    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4275    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1595    1.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3115    7.1138    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.7430    7.0644    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.2965    3.7983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8326    1.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5987    3.0911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8592    2.5170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6254    4.1519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8988    2.0323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3745    4.9048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.6386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8 10  1  0  0  0  0
  9  3  1  0  0  0  0
 10  6  2  0  0  0  0
 11  4  1  0  0  0  0
 12  7  1  0  0  0  0
 13  7  2  0  0  0  0
 14 12  1  0  0  0  0
 15 11  1  0  0  0  0
 16 11  1  0  0  0  0
 17 21  2  0  0  0  0
 18 14  1  0  0  0  0
 19 14  2  0  0  0  0
 20 18  2  0  0  0  0
 21 19  1  0  0  0  0
 22 10  1  0  0  0  0
 23 17  1  0  0  0  0
 24 23  1  0  0  0  0
  9  5  2  0  0  0  0
  8  4  2  0  0  0  0
 20 17  1  0  0  0  0
M  END
>  <Mol_ID> (6,330)
6330

>  <Formula> (6,330)
C17H16F2N4O

>  <MolWeight> (6,330)
330.3319464

>  <COMPOUND_NAME> (6,330)
WAY-326100

>  <BAR_CODE_NO> (6,330)
301101

$$$$
WAY-326101
csChFnd80/06171916332D

 26 28  0  0  0  0  0  0  0  0999 V2000
    9.1424    2.8162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1424    4.2450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7945    2.3859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3508    4.9387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7945    4.6788    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3508    2.1277    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3659    1.0397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5678    4.2450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9734    3.5117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5678    2.8610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3508    6.3658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9819    0.7385    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2748    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2517    3.8577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0678    1.7782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6392    4.1589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8179    2.6028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1424    7.0578    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.5678    7.0578    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.2808    4.8285    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7268    1.5183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5481    3.1209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8279    2.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9554    4.4825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6268    6.1489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.4637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8 10  1  0  0  0  0
  9  3  1  0  0  0  0
 10  6  2  0  0  0  0
 11  4  1  0  0  0  0
 12  7  1  0  0  0  0
 13  7  2  0  0  0  0
 14 16  2  0  0  0  0
 15 12  1  0  0  0  0
 16 22  1  0  0  0  0
 17 21  2  0  0  0  0
 18 11  1  0  0  0  0
 19 11  1  0  0  0  0
 20 14  1  0  0  0  0
 21 15  1  0  0  0  0
 22 15  2  0  0  0  0
 23 10  1  0  0  0  0
 24 20  1  0  0  0  0
 25 20  1  0  0  0  0
 26 24  1  0  0  0  0
  5  9  2  0  0  0  0
  4  8  2  0  0  0  0
 17 14  1  0  0  0  0
M  END
>  <Mol_ID> (6,331)
6331

>  <Formula> (6,331)
C19H20F2N4O

>  <MolWeight> (6,331)
358.3851064

>  <COMPOUND_NAME> (6,331)
WAY-326101

>  <BAR_CODE_NO> (6,331)
301102

$$$$
WAY-326102
csChFnd80/06171916332D

 24 26  0  0  0  0  0  0  0  0999 V2000
    9.6502    2.7752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8035    4.1601    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0588    4.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2617    2.4304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4752    4.7020    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8180    1.9505    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2083    3.9484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5447    3.6017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7198    1.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1025    2.5836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2121    6.1507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3569    0.9305    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5190    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5559    2.1038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0407    6.9773    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.4930    6.7583    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.3721    1.5619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1692    1.9286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3648    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.2826    0.4981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9322    2.8190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6273    0.6952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3207    3.0160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2921    1.7808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  2  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7 10  1  0  0  0  0
  8  4  1  0  0  0  0
  9  4  1  0  0  0  0
 10  6  2  0  0  0  0
 11  3  1  0  0  0  0
 12  9  1  0  0  0  0
 13  9  2  0  0  0  0
 14 12  1  0  0  0  0
 15 11  1  0  0  0  0
 16 11  1  0  0  0  0
 17 21  2  0  0  0  0
 18 14  1  0  0  0  0
 19 17  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 18  1  0  0  0  0
 23 18  2  0  0  0  0
 24 10  1  0  0  0  0
  5  8  2  0  0  0  0
  3  7  2  0  0  0  0
 20 17  1  0  0  0  0
M  END
>  <Mol_ID> (6,332)
6332

>  <Formula> (6,332)
C16H13F3N4O

>  <MolWeight> (6,332)
334.2958296

>  <COMPOUND_NAME> (6,332)
WAY-326102

>  <BAR_CODE_NO> (6,332)
301103

$$$$
WAY-326104
csChFnd80/06171916332D

 25 27  0  0  0  0  0  0  0  0999 V2000
    9.1288    2.8235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1288    4.2817    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3647    4.9902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8050    2.4270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8050    4.6765    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3647    2.1167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5558    4.2817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0104    3.5733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3620    1.0567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5558    2.8235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4027    6.3933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3342    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9969    0.7516    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2133    7.0983    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.6438    7.0552    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.9256    4.6334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7821    2.5597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6469    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2908    4.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292    3.3095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4548    2.2495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2216    3.8370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0695    1.8099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7486    2.0288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7043    1.4996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  2  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7 10  1  0  0  0  0
  8  4  1  0  0  0  0
  9  4  1  0  0  0  0
 10  6  2  0  0  0  0
 11  3  1  0  0  0  0
 12  9  2  0  0  0  0
 13  9  1  0  0  0  0
 14 11  1  0  0  0  0
 15 11  1  0  0  0  0
 16 19  2  0  0  0  0
 17 25  1  0  0  0  0
 18 16  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  2  0  0  0  0
 21 17  1  0  0  0  0
 22 17  2  0  0  0  0
 23 13  1  0  0  0  0
 24 10  1  0  0  0  0
 25 23  1  0  0  0  0
  5  8  2  0  0  0  0
  3  7  2  0  0  0  0
 20 16  1  0  0  0  0
M  END
>  <Mol_ID> (6,333)
6333

>  <Formula> (6,333)
C17H15ClF2N4O

>  <MolWeight> (6,333)
364.7770064

>  <COMPOUND_NAME> (6,333)
WAY-326104

>  <BAR_CODE_NO> (6,333)
301105

$$$$
WAY-326107
csChFnd80/06171916332D

 25 27  0  0  0  0  0  0  0  0999 V2000
   10.2436    2.4133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7419    3.6880    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1106    3.9282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7888    2.4313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5893    4.5525    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1561    1.3027    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0171    2.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4186    3.7340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9624    1.3267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5609    1.5849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6309    5.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5796    1.4768    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4186    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1233    2.8236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0177    5.5110    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.6964    6.3535    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.7366    3.0157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9130    3.3678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8901    1.9571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1943    4.2563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5214    2.1032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7835    4.4244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5263    3.5419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4974    0.5003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  2  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7 10  1  0  0  0  0
  8  4  1  0  0  0  0
  9  4  1  0  0  0  0
 10  6  2  0  0  0  0
 11  3  1  0  0  0  0
 12  9  1  0  0  0  0
 13  9  2  0  0  0  0
 14 12  1  0  0  0  0
 15 11  1  0  0  0  0
 16 11  1  0  0  0  0
 17 14  1  0  0  0  0
 18 22  2  0  0  0  0
 19 17  1  0  0  0  0
 20 17  2  0  0  0  0
 21 19  2  0  0  0  0
 22 20  1  0  0  0  0
 23 18  1  0  0  0  0
 24 10  1  0  0  0  0
 25 23  1  0  0  0  0
  5  8  2  0  0  0  0
  3  7  2  0  0  0  0
 21 18  1  0  0  0  0
M  END
>  <Mol_ID> (6,334)
6334

>  <Formula> (6,334)
C17H16F2N4O2

>  <MolWeight> (6,334)
346.3313464

>  <COMPOUND_NAME> (6,334)
WAY-326107

>  <BAR_CODE_NO> (6,334)
301108

$$$$
WAY-326109
csChFnd80/06171916332D

 34 38  0  0  0  0  0  0  0  0999 V2000
    1.5792    0.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2542    2.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0542    1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292    2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8292   -0.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5542    4.0167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500   -0.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6375   -1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9958    1.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292    4.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0542   -2.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1833   -0.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3792   -0.6292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0333   -2.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000   -0.4042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6708    0.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6792    2.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4208    2.8208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8292   -3.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5167   -3.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4875    4.5542    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.5500    1.7708    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4167   -3.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.1875   -1.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0000   -0.9792    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6667   -0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.8375   -3.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0000   -4.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8000   -1.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000   -4.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2375   -4.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7542   -6.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -6.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2042   -7.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  2  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  8  1  0  0  0  0
  8  5  2  0  0  0  0
  9  4  1  0  0  0  0
 10  4  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
 14 12  2  0  0  0  0
 15  9  1  0  0  0  0
 16 12  1  0  0  0  0
 17  3  1  0  0  0  0
 18  9  2  0  0  0  0
 19  8  1  0  0  0  0
 20 11  1  0  0  0  0
 21 17  1  0  0  0  0
 22 17  1  0  0  0  0
 23 20  1  0  0  0  0
 24 26  2  0  0  0  0
 25 24  1  0  0  0  0
 26 29  1  0  0  0  0
 27 28  2  0  0  0  0
 28 23  1  0  0  0  0
 29 23  2  0  0  0  0
 30 19  1  0  0  0  0
 31 19  2  0  0  0  0
 32 30  2  0  0  0  0
 33 31  1  0  0  0  0
 34 33  2  0  0  0  0
 10  6  2  0  0  0  0
  7  3  2  0  0  0  0
 34 32  1  0  0  0  0
 11 13  1  0  0  0  0
 27 24  1  0  0  0  0
M  END
>  <Mol_ID> (6,335)
6335

>  <Formula> (6,335)
C24H17F3N6O

>  <MolWeight> (6,335)
462.4265896

>  <COMPOUND_NAME> (6,335)
WAY-326109

>  <BAR_CODE_NO> (6,335)
301110

$$$$
WAY-326116
csChFnd80/06171916332D

 24 26  0  0  0  0  0  0  0  0999 V2000
   10.3042   -4.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2042   -2.5375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1542   -1.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1792   -5.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2292   -1.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2000   -5.8167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.1500   -2.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9292   -3.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5292   -7.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1000   -4.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2000    1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3042   -8.1292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0542   -9.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7875   -6.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3500    2.1708    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.1875    2.0333    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7708   -8.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042   -6.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9458   -8.4042    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.1208   -5.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2458   -9.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167   -9.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0875   -5.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -5.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  2  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7 10  1  0  0  0  0
  8  4  1  0  0  0  0
  9  4  1  0  0  0  0
 10  6  2  0  0  0  0
 11  3  1  0  0  0  0
 12  9  1  0  0  0  0
 13  9  2  0  0  0  0
 14 12  1  0  0  0  0
 15 11  1  0  0  0  0
 16 11  1  0  0  0  0
 17 20  2  0  0  0  0
 18 14  1  0  0  0  0
 19 17  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  2  0  0  0  0
 22 18  1  0  0  0  0
 23 18  2  0  0  0  0
 24 10  1  0  0  0  0
  8  5  2  0  0  0  0
  7  3  2  0  0  0  0
 21 17  1  0  0  0  0
M  END
>  <Mol_ID> (6,336)
6336

>  <Formula> (6,336)
C16H13ClF2N4O

>  <MolWeight> (6,336)
350.7504264

>  <COMPOUND_NAME> (6,336)
WAY-326116

>  <BAR_CODE_NO> (6,336)
301117

$$$$
WAY-326123
csChFnd80/06171916332D

 30 33  0  0  0  0  0  0  0  0999 V2000
    8.3938    3.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4671    4.8005    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1234    3.0192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6886    5.4846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5848    2.6934    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1662    5.3013    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8897    4.7395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5982    1.6816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8613    3.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3173    4.1735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9174    2.1254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6413    2.3942    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2301    1.4618    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9263    0.9976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3209    0.8367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7008    6.8934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8913    3.0354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2549    2.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0196    2.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4940    0.5985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2554    3.2126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0034    1.2093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5282    7.6507    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.9773    7.5632    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.4138    2.5163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1679    0.4642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4138    1.1197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7618    0.1364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6007    0.4357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  9  1  0  0  0  0
  8  3  1  0  0  0  0
  9  5  2  0  0  0  0
 10  3  1  0  0  0  0
 11 18  1  0  0  0  0
 12 17  2  0  0  0  0
 13  8  1  0  0  0  0
 14 15  1  0  0  0  0
 15 11  2  0  0  0  0
 16  4  1  0  0  0  0
 17 11  1  0  0  0  0
 18 13  1  0  0  0  0
 19  9  1  0  0  0  0
 20  8  2  0  0  0  0
 21 19  1  0  0  0  0
 22 19  2  0  0  0  0
 23 16  1  0  0  0  0
 24 16  1  0  0  0  0
 25 21  2  0  0  0  0
 26 22  1  0  0  0  0
 27 26  2  0  0  0  0
 28 13  1  0  0  0  0
 29 14  1  0  0  0  0
 30 27  1  0  0  0  0
  6 10  2  0  0  0  0
  4  7  2  0  0  0  0
 27 25  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <Mol_ID> (6,337)
6337

>  <Formula> (6,337)
C21H20F2N6O

>  <MolWeight> (6,337)
410.4199064

>  <COMPOUND_NAME> (6,337)
WAY-326123

>  <BAR_CODE_NO> (6,337)
301124

$$$$
WAY-326128
csChFnd80/06171916332D

 32 35  0  0  0  0  0  0  0  0999 V2000
    8.4144    4.7082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4879    6.1205    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1409    4.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7124    6.8062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6083    4.0082    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1838    6.6225    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9165    6.0592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9245    3.4388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6144    2.9939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8879    4.6204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3327    5.4919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6429    3.7082    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3266    2.1469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9286    2.3082    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2429    2.7735    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8959    4.3511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2653    3.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7246    8.2185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0491    3.9184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5123    1.9082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0328    2.5204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2879    4.5286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5491    8.9777    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.0042    8.8899    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.2002    1.7735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4491    3.8306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4491    2.4306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9980    0.9224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7735    1.4449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6390    1.7449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4082    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7 10  1  0  0  0  0
  8 17  1  0  0  0  0
  9  3  1  0  0  0  0
 10  5  2  0  0  0  0
 11  3  1  0  0  0  0
 12 16  2  0  0  0  0
 13  8  2  0  0  0  0
 14 13  1  0  0  0  0
 15  9  1  0  0  0  0
 16  8  1  0  0  0  0
 17 15  1  0  0  0  0
 18  4  1  0  0  0  0
 19 10  1  0  0  0  0
 20  9  2  0  0  0  0
 21 19  2  0  0  0  0
 22 19  1  0  0  0  0
 23 18  1  0  0  0  0
 24 18  1  0  0  0  0
 25 21  1  0  0  0  0
 26 22  2  0  0  0  0
 27 26  1  0  0  0  0
 28 14  1  0  0  0  0
 29 13  1  0  0  0  0
 30 15  1  0  0  0  0
 31 27  1  0  0  0  0
 32 28  1  0  0  0  0
  6 11  2  0  0  0  0
  4  7  2  0  0  0  0
 25 27  2  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <Mol_ID> (6,338)
6338

>  <Formula> (6,338)
C23H24F2N6O

>  <MolWeight> (6,338)
438.4730664

>  <COMPOUND_NAME> (6,338)
WAY-326128

>  <BAR_CODE_NO> (6,338)
301129

$$$$
WAY-326129
csChFnd80/06171916332D

 29 32  0  0  0  0  0  0  0  0999 V2000
    8.5687    4.7962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9874    6.1339    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1556    4.7962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3524    6.4228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5087    3.7913    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8506    6.9106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3007    5.4117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3517    3.6490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8401    4.0802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7452    6.1025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9574    3.7913    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7794    7.7878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1835    4.0509    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7948    3.0376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8960    2.3468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1284    2.6378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3545    5.0558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3635    1.7334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1576    3.3580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7320    2.7739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9686    5.1814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8311    8.7948    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.1172    8.0788    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.3119    0.6887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1123    2.3217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6789    1.0112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7976    4.1870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6649    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  9  1  0  0  0  0
  8  3  1  0  0  0  0
  9  5  2  0  0  0  0
 10  3  1  0  0  0  0
 11  8  1  0  0  0  0
 12  4  1  0  0  0  0
 13 21  1  0  0  0  0
 14  9  1  0  0  0  0
 15  8  2  0  0  0  0
 16 11  1  0  0  0  0
 17 11  1  0  0  0  0
 18 14  2  0  0  0  0
 19 14  1  0  0  0  0
 20 16  1  0  0  0  0
 21 17  1  0  0  0  0
 22 12  1  0  0  0  0
 23 12  1  0  0  0  0
 24 18  1  0  0  0  0
 25 19  2  0  0  0  0
 26 25  1  0  0  0  0
 27 13  1  0  0  0  0
 28 26  1  0  0  0  0
 29 27  1  0  0  0  0
  6 10  2  0  0  0  0
  4  7  2  0  0  0  0
 13 20  1  0  0  0  0
 26 24  2  0  0  0  0
M  END
>  <Mol_ID> (6,339)
6339

>  <Formula> (6,339)
C21H23F2N5O

>  <MolWeight> (6,339)
399.4370264

>  <COMPOUND_NAME> (6,339)
WAY-326129

>  <BAR_CODE_NO> (6,339)
301130

$$$$
WAY-326135
csChFnd80/06171916332D

 33 37  0  0  0  0  0  0  0  0999 V2000
   10.6206    4.8216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0405    6.1602    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2030    4.8216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4084    6.4581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5664    3.8103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8960    6.9480    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3700    5.4378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3904    3.6681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9028    4.1015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7854    6.1331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9886    3.8103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1986    4.0676    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8418    7.8238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8148    4.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8621    3.0518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0113    3.0812    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9412    2.3566    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3814    5.0834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1512    2.6478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9886    5.2053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7516    2.7900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2323    3.3769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4287    1.7381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8915    8.8441    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.1871    8.1150    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   16.1916    2.3295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3858    0.6952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7582    1.0203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2121    5.4649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6207    3.1896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7424    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8194    5.5913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  9  1  0  0  0  0
  8  3  1  0  0  0  0
  9  5  2  0  0  0  0
 10  3  1  0  0  0  0
 11  8  1  0  0  0  0
 12 21  1  0  0  0  0
 13  4  1  0  0  0  0
 14 12  1  0  0  0  0
 15  9  1  0  0  0  0
 16 14  1  0  0  0  0
 17  8  2  0  0  0  0
 18 11  1  0  0  0  0
 19 11  1  0  0  0  0
 20 18  1  0  0  0  0
 21 19  1  0  0  0  0
 22 15  1  0  0  0  0
 23 15  2  0  0  0  0
 24 13  1  0  0  0  0
 25 13  1  0  0  0  0
 26 22  2  0  0  0  0
 27 23  1  0  0  0  0
 28 27  2  0  0  0  0
 29 14  2  0  0  0  0
 30 16  2  0  0  0  0
 31 28  1  0  0  0  0
 32 29  1  0  0  0  0
 33 32  2  0  0  0  0
  6 10  2  0  0  0  0
  4  7  2  0  0  0  0
 20 12  1  0  0  0  0
 26 28  1  0  0  0  0
 30 33  1  0  0  0  0
M  END
>  <Mol_ID> (6,340)
6340

>  <Formula> (6,340)
C24H22F2N6O

>  <MolWeight> (6,340)
448.4678864

>  <COMPOUND_NAME> (6,340)
WAY-326135

>  <BAR_CODE_NO> (6,340)
301136

$$$$
WAY-326147
csChFnd80/06171916332D

 30 33  0  0  0  0  0  0  0  0999 V2000
    8.4267    4.1841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7766    5.5666    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0593    4.0956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1116    5.9295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4354    3.2143    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5777    6.2967    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1203    4.9964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3184    2.8967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7726    3.6290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5409    5.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8927    2.9486    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4399    7.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7770    2.7412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9880    1.6698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2144    4.1669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4984    1.3738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1163    3.1926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7943    7.7181    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.4354    8.3230    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.7973    4.1669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1359    2.2919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5223    0.4190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8767    0.9008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1474    1.7886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9567    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0651    3.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1169    5.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7107    5.4284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6588    3.0371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  9  1  0  0  0  0
  8  3  1  0  0  0  0
  9  5  2  0  0  0  0
 10  3  1  0  0  0  0
 11  8  1  0  0  0  0
 12  4  1  0  0  0  0
 13  9  1  0  0  0  0
 14  8  2  0  0  0  0
 15 11  1  0  0  0  0
 16 13  2  0  0  0  0
 17 13  1  0  0  0  0
 18 12  1  0  0  0  0
 19 12  1  0  0  0  0
 20 15  1  0  0  0  0
 21 17  2  0  0  0  0
 22 16  1  0  0  0  0
 23 21  1  0  0  0  0
 24 11  1  0  0  0  0
 25 23  1  0  0  0  0
 26 20  1  0  0  0  0
 27 20  2  0  0  0  0
 28 27  1  0  0  0  0
 29 26  2  0  0  0  0
 30 28  2  0  0  0  0
  6 10  2  0  0  0  0
  4  7  2  0  0  0  0
 22 23  2  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (6,341)
6341

>  <Formula> (6,341)
C23H20F2N4O

>  <MolWeight> (6,341)
406.4279064

>  <COMPOUND_NAME> (6,341)
WAY-326147

>  <BAR_CODE_NO> (6,341)
301148

$$$$
WAY-326166
csChFnd80/06171916332D

 30 33  0  0  0  0  0  0  0  0999 V2000
    6.3492    4.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6088    5.6112    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9640    4.0239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9161    6.0878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3728    3.3118    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2371    2.8482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3850    6.2843    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9619    5.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8352    2.8482    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6782    3.7569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3836    5.3293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1739    7.4674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7482    2.8482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9362    1.6429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1195    4.0628    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.0889    3.2988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4645    1.4649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1336    8.3797    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.4923    7.9143    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.1343    1.6429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8380    0.9791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5381    0.5563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1217    2.3717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8838    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7963    5.2737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7213    4.0628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2412    0.3968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7343    1.6429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0787    6.4790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8 10  1  0  0  0  0
  9  6  1  0  0  0  0
 10  5  2  0  0  0  0
 11  3  1  0  0  0  0
 12  4  1  0  0  0  0
 13 10  1  0  0  0  0
 14  6  2  0  0  0  0
 15  9  1  0  0  0  0
 16 13  1  0  0  0  0
 17 13  2  0  0  0  0
 18 12  1  0  0  0  0
 19 12  1  0  0  0  0
 20  9  1  0  0  0  0
 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
 23 16  2  0  0  0  0
 24 21  1  0  0  0  0
 25 15  1  0  0  0  0
 26 15  1  0  0  0  0
 27 24  1  0  0  0  0
 28 20  1  0  0  0  0
 29 25  1  0  0  0  0
 30 28  1  0  0  0  0
  7 11  2  0  0  0  0
  4  8  2  0  0  0  0
 23 21  1  0  0  0  0
 26 30  1  0  0  0  0
M  END
>  <Mol_ID> (6,342)
6342

>  <Formula> (6,342)
C22H24F2N4O2

>  <MolWeight> (6,342)
414.4483664

>  <COMPOUND_NAME> (6,342)
WAY-326166

>  <BAR_CODE_NO> (6,342)
301167

$$$$
WAY-326193
csChFnd80/06171916332D

 33 36  0  0  0  0  0  0  0  0999 V2000
    2.0667    0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5167    3.2958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3625    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8375    4.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9000   -0.7292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542    4.5042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7000    2.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8875   -3.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6458   -1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2042    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6667   -4.9292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6667   -2.5167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3167   -5.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2542   -1.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1125   -1.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3333   -3.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3292    6.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0667   -1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958   -3.6792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4500   -0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5792   -3.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4667    8.1875    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.6042    7.3667    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.7542   -4.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2500   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4667   -5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7375   -1.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3333    0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6167   -8.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6167   -6.5792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -5.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0000   -2.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7 10  1  0  0  0  0
  8 17  1  0  0  0  0
  9  3  1  0  0  0  0
 10  5  2  0  0  0  0
 11 14  2  0  0  0  0
 12  3  1  0  0  0  0
 13 15  1  0  0  0  0
 14  8  1  0  0  0  0
 15  8  2  0  0  0  0
 16  9  1  0  0  0  0
 17 16  1  0  0  0  0
 18  4  1  0  0  0  0
 19 10  1  0  0  0  0
 20  9  2  0  0  0  0
 21 19  1  0  0  0  0
 22 19  2  0  0  0  0
 23 18  1  0  0  0  0
 24 18  1  0  0  0  0
 25 27  2  0  0  0  0
 26 21  2  0  0  0  0
 27 22  1  0  0  0  0
 28 13  1  0  0  0  0
 29 16  1  0  0  0  0
 30 14  1  0  0  0  0
 31 25  1  0  0  0  0
 32 31  1  0  0  0  0
 33 28  1  0  0  0  0
  6 12  2  0  0  0  0
  4  7  2  0  0  0  0
 26 25  1  0  0  0  0
 13 11  1  0  0  0  0
M  END
>  <Mol_ID> (6,343)
6343

>  <Formula> (6,343)
C23H24F2N6O2

>  <MolWeight> (6,343)
454.4724664

>  <COMPOUND_NAME> (6,343)
WAY-326193

>  <BAR_CODE_NO> (6,343)
301194

$$$$
WAY-326220
csChFnd80/06171916332D

 28 31  0  0  0  0  0  0  0  0999 V2000
    8.3042   -5.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8917   -5.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5875   -6.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3250   -3.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8917   -3.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6125   -3.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0292   -6.1000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.0417   -3.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7667   -3.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7542   -5.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1542   -6.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5750   -7.6042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1792   -3.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9792   -7.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0667   -7.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0417   -1.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4917   -3.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -3.9542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1375   -7.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4292   -5.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4500   -3.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7292   -3.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7125   -8.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7667   -0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4917   -1.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6917   -6.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4042   -8.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6875   -7.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  6  2  0  0  0  0
  6  4  1  0  0  0  0
  7  1  1  0  0  0  0
  8  4  1  0  0  0  0
  9 10  1  0  0  0  0
 10  7  1  0  0  0  0
 11  2  1  0  0  0  0
 12  3  2  0  0  0  0
 13  5  1  0  0  0  0
 14  7  1  0  0  0  0
 15  7  1  0  0  0  0
 16  8  1  0  0  0  0
 17  9  1  0  0  0  0
 18 22  1  0  0  0  0
 19 11  2  0  0  0  0
 20 11  1  0  0  0  0
 21 13  1  0  0  0  0
 22 21  1  0  0  0  0
 23 14  1  0  0  0  0
 24 16  2  0  0  0  0
 25 17  2  0  0  0  0
 26 20  2  0  0  0  0
 27 19  1  0  0  0  0
 28 26  1  0  0  0  0
  8  9  2  0  0  0  0
  2  5  1  0  0  0  0
 24 25  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <Mol_ID> (6,344)
6344

>  <Formula> (6,344)
C23H25N3O2

>  <MolWeight> (6,344)
375.4635

>  <COMPOUND_NAME> (6,344)
WAY-326220

>  <BAR_CODE_NO> (6,344)
301221

$$$$
WAY-326221
csChFnd80/06171916332D

 29 32  0  0  0  0  0  0  0  0999 V2000
    2.8875   -5.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6542   -5.8417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7542   -6.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9042   -3.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6667   -3.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7875   -2.5625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0167   -6.8750    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.0417   -2.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8333   -3.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8375   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5042   -6.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7292   -9.0667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5417   -2.6167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5125   -8.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5417   -8.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0417   -0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2667   -2.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6833   -2.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -2.6792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3917   -3.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4792   -9.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3667   -5.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1167   -3.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5500  -10.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8333    0.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6833   -0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3292  -10.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2167   -6.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2042   -9.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  6  2  0  0  0  0
  6  4  1  0  0  0  0
  7  1  1  0  0  0  0
  8  4  1  0  0  0  0
  9 10  1  0  0  0  0
 10  7  1  0  0  0  0
 11  2  1  0  0  0  0
 12  3  2  0  0  0  0
 13  5  1  0  0  0  0
 14  7  1  0  0  0  0
 15  7  1  0  0  0  0
 16  8  1  0  0  0  0
 17 20  1  0  0  0  0
 18  9  1  0  0  0  0
 19 23  1  0  0  0  0
 20 13  1  0  0  0  0
 21 11  2  0  0  0  0
 22 11  1  0  0  0  0
 23 17  1  0  0  0  0
 24 14  1  0  0  0  0
 25 16  2  0  0  0  0
 26 18  2  0  0  0  0
 27 21  1  0  0  0  0
 28 22  2  0  0  0  0
 29 28  1  0  0  0  0
  8  9  2  0  0  0  0
  2  5  1  0  0  0  0
 25 26  1  0  0  0  0
 27 29  2  0  0  0  0
M  END
>  <Mol_ID> (6,345)
6345

>  <Formula> (6,345)
C24H27N3O2

>  <MolWeight> (6,345)
389.49008

>  <COMPOUND_NAME> (6,345)
WAY-326221

>  <BAR_CODE_NO> (6,345)
301222

$$$$
WAY-326250
csChFnd80/06171916332D

 22 25  0  0  0  0  0  0  0  0999 V2000
    7.0667   -6.4792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0667   -7.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2875   -5.7542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.7042   -8.3292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5292   -6.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7042   -6.0375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2875   -8.6167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8667   -7.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5292   -7.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3000   -4.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8167   -8.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0917   -3.3875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.5042   -3.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5542   -1.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1167   -7.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0417   -1.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4125   -8.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7125   -7.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8167  -10.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1167  -10.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4167  -10.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  6  2  0  0  0  0
  9  5  2  0  0  0  0
 10  3  1  0  0  0  0
 11  9  1  0  0  0  0
 12 10  1  0  0  0  0
 13 10  2  0  0  0  0
 14 12  1  0  0  0  0
 15 11  1  0  0  0  0
 16 13  1  0  0  0  0
 17 15  2  0  0  0  0
 18 17  1  0  0  0  0
 19 11  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 18  1  0  0  0  0
  8  4  1  0  0  0  0
  7  9  1  0  0  0  0
 16 14  2  0  0  0  0
 17 21  1  0  0  0  0
M  END
>  <Mol_ID> (6,346)
6346

>  <Formula> (6,346)
C15H13N5OS

>  <MolWeight> (6,346)
311.36162

>  <COMPOUND_NAME> (6,346)
WAY-326250

>  <BAR_CODE_NO> (6,346)
301251

$$$$
WAY-326254
csChFnd80/06171916332D

 16 17  0  0  0  0  0  0  0  0999 V2000
   12.6917   -5.4167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4500   -7.9667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1542   -5.7542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9917   -7.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5042   -6.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3375   -3.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6167   -8.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4542   -9.6917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0667   -6.9542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.1625   -7.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4000   -2.7042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9125  -10.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1042   -8.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9167   -3.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -5.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5500   -2.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8  7  1  0  0  0  0
  9  5  1  0  0  0  0
 10  7  2  0  0  0  0
 11  6  2  0  0  0  0
 12  8  1  0  0  0  0
 13 10  1  0  0  0  0
 14  6  1  0  0  0  0
 15  9  1  0  0  0  0
 16 14  1  0  0  0  0
  2  4  1  0  0  0  0
 12 13  2  0  0  0  0
M  END
>  <Mol_ID> (6,347)
6347

>  <Formula> (6,347)
C10H11N3O2S

>  <MolWeight> (6,347)
237.27824

>  <COMPOUND_NAME> (6,347)
WAY-326254

>  <BAR_CODE_NO> (6,347)
301255

$$$$
WAY-326259
csChFnd80/06171916332D

 22 24  0  0  0  0  0  0  0  0999 V2000
   11.1167   -6.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8792   -8.5042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7167   -6.4917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8417   -7.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5667   -7.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7042   -4.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1292   -4.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3125   -8.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1542  -10.0792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8542   -3.7042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7000   -3.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2792   -7.5875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.9792   -8.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7417  -10.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0167   -9.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9792   -5.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8417   -2.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1417   -3.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6125   -8.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4375   -0.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4292   -5.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -4.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  2  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  5  1  0  0  0  0
  9  8  1  0  0  0  0
 10  6  2  0  0  0  0
 11  7  1  0  0  0  0
 12  4  1  0  0  0  0
 13  8  2  0  0  0  0
 14  9  1  0  0  0  0
 15 13  1  0  0  0  0
 16  7  2  0  0  0  0
 17 11  1  0  0  0  0
 18 11  2  0  0  0  0
 19 12  1  0  0  0  0
 20 17  1  0  0  0  0
 21 16  1  0  0  0  0
 22 21  2  0  0  0  0
  2  5  1  0  0  0  0
 22 18  1  0  0  0  0
 14 15  2  0  0  0  0
M  END
>  <Mol_ID> (6,348)
6348

>  <Formula> (6,348)
C15H13N3O3S

>  <MolWeight> (6,348)
315.34702

>  <COMPOUND_NAME> (6,348)
WAY-326259

>  <BAR_CODE_NO> (6,348)
301260

$$$$
WAY-326270-A
csChFnd80/06171916332D

 22 24  0  0  0  0  0  0  0  0999 V2000
    6.6281    1.1349    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0272    1.1349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4614    2.4720    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1939    2.4720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3288    3.2922    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8637    2.9016    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7916    2.9016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8520    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5673    4.2709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9545    6.0766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2371    4.7074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6220    6.5063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3325    7.8824    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8799    4.1905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8323    1.9620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0811    4.2709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2101    3.7608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5813    5.5666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.3075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1625    2.3962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4044    4.7005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4566    3.7608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  4  1  0  0  0  0
  7  3  1  0  0  0  0
  8  2  1  0  0  0  0
  9  6  1  0  0  0  0
 10 11  2  0  0  0  0
 11  9  1  0  0  0  0
 12 10  1  0  0  0  0
 13 12  1  0  0  0  0
 14 17  2  0  0  0  0
 15  7  2  0  0  0  0
 16  7  1  0  0  0  0
 17 11  1  0  0  0  0
 18 14  1  0  0  0  0
 19 13  1  0  0  0  0
 20 15  1  0  0  0  0
 21 16  2  0  0  0  0
 22 21  1  0  0  0  0
  3  5  1  0  0  0  0
 20 22  2  0  0  0  0
 12 18  2  0  0  0  0
M  END
>  <Mol_ID> (6,349)
6349

>  <Formula> (6,349)
C16H17N5O

>  <MolWeight> (6,349)
295.33908

>  <COMPOUND_NAME> (6,349)
WAY-326270-A

>  <BAR_CODE_NO> (6,349)
301271

$$$$
WAY-326275
csChFnd80/06171916332D

 25 28  0  0  0  0  0  0  0  0999 V2000
    4.8466    7.0028    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8466    8.4164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6350    6.2971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6284    9.1048    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4276    6.9963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0561    9.1178    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6350    4.8965    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4276    8.3969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4276    4.1952    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.4751   10.5162    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4276    2.7946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496   10.5162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2634    8.4164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2117    6.2971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2117    9.0982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2569   11.2132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4685    9.1178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2182    4.8965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6350    2.1149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2182    2.1019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.9963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.3969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2182    0.7014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6523    0.7144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4429    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  5  1  0  0  0  0
  9  7  1  0  0  0  0
 10 17  1  0  0  0  0
 11  9  1  0  0  0  0
 12  6  1  0  0  0  0
 13  6  1  0  0  0  0
 14  5  2  0  0  0  0
 15  8  2  0  0  0  0
 16 12  1  0  0  0  0
 17 13  1  0  0  0  0
 18  9  1  0  0  0  0
 19 11  1  0  0  0  0
 20 11  2  0  0  0  0
 21 14  1  0  0  0  0
 22 21  2  0  0  0  0
 23 20  1  0  0  0  0
 24 19  2  0  0  0  0
 25 23  2  0  0  0  0
  8  4  1  0  0  0  0
 16 10  1  0  0  0  0
 15 22  1  0  0  0  0
 25 24  1  0  0  0  0
M  END
>  <Mol_ID> (6,350)
6350

>  <Formula> (6,350)
C20H23N5

>  <MolWeight> (6,350)
333.43012

>  <COMPOUND_NAME> (6,350)
WAY-326275

>  <BAR_CODE_NO> (6,350)
301276

$$$$
WAY-326311
csChFnd80/06171916332D

 25 28  0  0  0  0  0  0  0  0999 V2000
   10.6375   -2.9500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.0042   -2.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2750   -4.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3292   -5.1125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3042   -3.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5875   -1.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1167   -4.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6792   -0.3875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3542   -2.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7667   -1.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8667   -5.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6667   -4.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2542   -2.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2042   -1.4167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5542   -6.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5167   -7.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000   -2.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7542   -8.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8000   -4.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3042   -0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9375   -2.0042    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   14.2667   -3.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1000   -0.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5875   -3.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  2  0  0  0  0
  7  5  2  0  0  0  0
  8  6  1  0  0  0  0
  9  2  1  0  0  0  0
 10  9  2  0  0  0  0
 11  7  1  0  0  0  0
 12  3  2  0  0  0  0
 13  5  1  0  0  0  0
 14  1  1  0  0  0  0
 15  4  1  0  0  0  0
 16 15  1  0  0  0  0
 17 13  2  0  0  0  0
 18 16  2  0  0  0  0
 19 17  1  0  0  0  0
 20  6  1  0  0  0  0
 21 17  1  0  0  0  0
 22  9  1  0  0  0  0
 23 10  1  0  0  0  0
 24 22  2  0  0  0  0
 25 24  1  0  0  0  0
  4  7  1  0  0  0  0
  8 10  1  0  0  0  0
 11 19  2  0  0  0  0
 23 25  2  0  0  0  0
M  END
>  <Mol_ID> (6,351)
6351

>  <Formula> (6,351)
C20H17BrN2O2

>  <MolWeight> (6,351)
397.26518

>  <COMPOUND_NAME> (6,351)
WAY-326311

>  <BAR_CODE_NO> (6,351)
301312

$$$$
WAY-326312
csChFnd80/06171916332D

 24 27  0  0  0  0  0  0  0  0999 V2000
   10.6375   -3.6042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.0042   -3.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2750   -4.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3292   -5.7625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3042   -3.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5875   -1.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1167   -5.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6792   -1.0542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3542   -3.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7667   -1.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8667   -5.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6667   -4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2542   -2.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2042   -2.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000   -3.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5542   -7.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8000   -4.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3042   -1.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9375   -2.6750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   14.2667   -4.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1000   -1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5167   -7.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5875   -3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -2.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  2  0  0  0  0
  7  5  2  0  0  0  0
  8  6  1  0  0  0  0
  9  2  1  0  0  0  0
 10  9  2  0  0  0  0
 11  7  1  0  0  0  0
 12  3  2  0  0  0  0
 13  5  1  0  0  0  0
 14  1  1  0  0  0  0
 15 13  2  0  0  0  0
 16  4  1  0  0  0  0
 17 15  1  0  0  0  0
 18  6  1  0  0  0  0
 19 15  1  0  0  0  0
 20  9  1  0  0  0  0
 21 10  1  0  0  0  0
 22 16  1  0  0  0  0
 23 20  2  0  0  0  0
 24 23  1  0  0  0  0
  4  7  1  0  0  0  0
  8 10  1  0  0  0  0
 11 17  2  0  0  0  0
 21 24  2  0  0  0  0
M  END
>  <Mol_ID> (6,352)
6352

>  <Formula> (6,352)
C19H17BrN2O2

>  <MolWeight> (6,352)
385.25448

>  <COMPOUND_NAME> (6,352)
WAY-326312

>  <BAR_CODE_NO> (6,352)
301313

$$$$
WAY-324485
csChFnd80/06171916332D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.0886   -0.2037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0886    0.5433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7427   -0.5757    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5594   -0.5757    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5594    0.9153    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667    0.8913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3937   -0.1797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7427   -1.3197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2104   -0.2037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2104    0.5433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387    0.2163    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.4157    1.5663    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.4387    1.2663    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0447   -0.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3937   -1.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8644   -0.5757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8644    0.9153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0447   -1.3197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5153   -0.2037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5153    0.5433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  4  1  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
  9 16  1  0  0  0  0
 10 17  1  0  0  0  0
 14 18  1  0  0  0  0
 19 16  2  0  0  0  0
 17 20  2  0  0  0  0
  9 10  2  0  0  0  0
 15 18  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (6,353)
6353

>  <Formula> (6,353)
C13H12F3N3O

>  <MolWeight> (6,353)
283.2490896

>  <COMPOUND_NAME> (6,353)
WAY-324485

>  <BAR_CODE_NO> (6,353)
299486

$$$$
WAY-324496
csChFnd80/06171916332D

 25 27  0  0  0  0  0  0  0  0999 V2000
    1.0667   -1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292   -1.9375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5500    3.6125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667   -0.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0500   -0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8875   -2.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5500    2.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6042    3.6125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5500    4.5667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5042    3.6125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8667   -2.9875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6875    0.0125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7292   -1.5792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7292    2.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3667    2.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3667    1.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7292    1.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5500    0.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7292   -0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5500   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8333   -0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  8  1  0  0  0  0
  4  1  2  0  0  0  0
  5  4  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8 15  1  0  0  0  0
  9  3  2  0  0  0  0
 10  3  2  0  0  0  0
 11  3  1  0  0  0  0
 12  7  2  0  0  0  0
 13  4  1  0  0  0  0
 14  7  1  0  0  0  0
 15 18  2  0  0  0  0
 16 17  1  0  0  0  0
 17 19  2  0  0  0  0
 18 19  1  0  0  0  0
 19 23  1  0  0  0  0
 20  5  1  0  0  0  0
 21 14  1  0  0  0  0
 22  6  1  0  0  0  0
 23 21  1  0  0  0  0
 24 20  2  0  0  0  0
 25 22  2  0  0  0  0
  6  5  2  0  0  0  0
 25 24  1  0  0  0  0
 16  8  2  0  0  0  0
M  END
>  <Mol_ID> (6,354)
6354

>  <Formula> (6,354)
C17H15ClN2O3S2

>  <MolWeight> (6,354)
394.8956

>  <COMPOUND_NAME> (6,354)
WAY-324496

>  <BAR_CODE_NO> (6,354)
299497

$$$$
WAY-324498
csChFnd80/06171916332D

 23 25  0  0  0  0  0  0  0  0999 V2000
    0.0375   -0.1667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5792    0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9000    0.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2375    1.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4375    1.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167   -0.4042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4792    0.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7792    1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8625    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4792    2.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3792    2.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000   -1.0667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792    0.7333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0167    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4375    0.4958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5208   -0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208    0.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6458    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0000    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5833    0.7333    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.0167    3.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3792    3.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  5  2  2  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  3  1  0  0  0  0
  9  1  1  0  0  0  0
 10  4  1  0  0  0  0
 11 10  1  0  0  0  0
 12  1  2  0  0  0  0
 13  1  2  0  0  0  0
 14  8  1  0  0  0  0
 15  8  2  0  0  0  0
 16  9  1  0  0  0  0
 17  9  2  0  0  0  0
 18 19  2  0  0  0  0
 19 17  1  0  0  0  0
 20 16  2  0  0  0  0
 21 18  1  0  0  0  0
 22 11  1  0  0  0  0
 23 11  1  0  0  0  0
 20 18  1  0  0  0  0
  4  3  2  0  0  0  0
 11 14  1  0  0  0  0
M  END
>  <Mol_ID> (6,355)
6355

>  <Formula> (6,355)
C15H15ClN2O3S2

>  <MolWeight> (6,355)
370.8742

>  <COMPOUND_NAME> (6,355)
WAY-324498

>  <BAR_CODE_NO> (6,355)
299499

$$$$
WAY-324511
csChFnd80/06171916332D

 21 23  0  0  0  0  0  0  0  0999 V2000
    4.3542   -5.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5292   -4.2792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0667   -5.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6792   -4.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5542   -5.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3500   -4.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7542   -3.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5792   -3.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8375   -4.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9875   -2.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8167   -1.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2167   -0.6167    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.8375   -4.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5542   -6.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8167   -2.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5792   -2.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9875   -1.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2292   -2.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292   -5.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8375   -6.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292   -6.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  5  2  0  0  0  0
 10  8  1  0  0  0  0
 11 17  1  0  0  0  0
 12 11  1  0  0  0  0
 13  9  1  0  0  0  0
 14  5  1  0  0  0  0
 15 10  2  0  0  0  0
 16 10  1  0  0  0  0
 17 16  2  0  0  0  0
 18 15  1  0  0  0  0
 19  9  1  0  0  0  0
 20 14  2  0  0  0  0
 21 20  1  0  0  0  0
  6  4  2  0  0  0  0
 21 19  2  0  0  0  0
 11 18  2  0  0  0  0
M  END
>  <Mol_ID> (6,356)
6356

>  <Formula> (6,356)
C16H12BrN3O

>  <MolWeight> (6,356)
342.18998

>  <COMPOUND_NAME> (6,356)
WAY-324511

>  <BAR_CODE_NO> (6,356)
299512

$$$$
WAY-324512
csChFnd80/06171916332D

 21 23  0  0  0  0  0  0  0  0999 V2000
    4.3542   -5.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5292   -4.2792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0667   -5.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6792   -4.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5542   -5.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3500   -4.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5792   -3.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7542   -3.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8375   -4.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9875   -2.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8167   -2.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2167   -3.4792    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8375   -4.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5542   -6.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292   -5.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5792   -2.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2292   -2.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8375   -6.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9875   -1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292   -6.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8167   -1.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  8  2  0  0  0  0
  8  6  1  0  0  0  0
  9  5  2  0  0  0  0
 10  7  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13  9  1  0  0  0  0
 14  5  1  0  0  0  0
 15  9  1  0  0  0  0
 16 10  1  0  0  0  0
 17 11  1  0  0  0  0
 18 14  2  0  0  0  0
 19 16  2  0  0  0  0
 20 18  1  0  0  0  0
 21 19  1  0  0  0  0
  6  4  2  0  0  0  0
 20 15  2  0  0  0  0
 21 17  2  0  0  0  0
M  END
>  <Mol_ID> (6,357)
6357

>  <Formula> (6,357)
C16H12ClN3O

>  <MolWeight> (6,357)
297.73898

>  <COMPOUND_NAME> (6,357)
WAY-324512

>  <BAR_CODE_NO> (6,357)
299513

$$$$
WAY-324513
csChFnd80/06171916332D

 23 25  0  0  0  0  0  0  0  0999 V2000
    4.9292   -4.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1000   -3.9375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6375   -5.1542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2500   -4.6042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1292   -4.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9167   -3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3292   -3.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5542   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1500   -3.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4042   -4.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3875   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1500   -1.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5542   -2.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8000   -1.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1375   -0.2875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3875   -2.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4042   -3.7167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1292   -5.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8000   -0.2792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7000   -4.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6167   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4167   -6.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7000   -5.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  6  1  0  0  0  0
  8 12  2  0  0  0  0
  9  7  2  0  0  0  0
 10  5  2  0  0  0  0
 11 14  2  0  0  0  0
 12 13  1  0  0  0  0
 13  9  1  0  0  0  0
 14 16  1  0  0  0  0
 15  8  1  0  0  0  0
 16 13  2  0  0  0  0
 17 10  1  0  0  0  0
 18  5  1  0  0  0  0
 19 11  1  0  0  0  0
 20 10  1  0  0  0  0
 21 19  1  0  0  0  0
 22 18  2  0  0  0  0
 23 22  1  0  0  0  0
  6  4  2  0  0  0  0
 23 20  2  0  0  0  0
 11  8  1  0  0  0  0
M  END
>  <Mol_ID> (6,358)
6358

>  <Formula> (6,358)
C17H15N3O3

>  <MolWeight> (6,358)
309.3193

>  <COMPOUND_NAME> (6,358)
WAY-324513

>  <BAR_CODE_NO> (6,358)
299514

$$$$
WAY-324546
csChFnd80/06171916332D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -5.1625    6.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3125    6.3250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7792    8.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0625    4.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8875    4.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1000    8.0042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8000    9.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7625    2.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7250    9.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6750    8.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8250    0.3750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0667   11.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    5.9667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7542    9.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4625    0.4250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1000   12.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.0000   11.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3875    2.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4125    6.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3875   -1.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0000   12.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  5  1  0  0  0  0
  9  6  1  0  0  0  0
 10  7  2  0  0  0  0
 11  8  2  0  0  0  0
 12  7  1  0  0  0  0
 13  5  2  0  0  0  0
 14 10  1  0  0  0  0
 15 18  2  0  0  0  0
 16 12  2  0  0  0  0
 17 16  1  0  0  0  0
 18  8  1  0  0  0  0
 19 10  1  0  0  0  0
 20 11  1  0  0  0  0
 21 15  1  0  0  0  0
 22 17  1  0  0  0  0
  9  3  2  0  0  0  0
 20 21  2  0  0  0  0
 14 17  2  0  0  0  0
M  END
>  <Mol_ID> (6,359)
6359

>  <Formula> (6,359)
C16H14N4OS

>  <MolWeight> (6,359)
310.37356

>  <COMPOUND_NAME> (6,359)
WAY-324546

>  <BAR_CODE_NO> (6,359)
299547

$$$$
WAY-324567
csChFnd80/06171916332D

 34 37  0  0  0  0  0  0  0  0999 V2000
    7.8787    2.8036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1076    5.4936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4944    5.1469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8770    3.8019    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.5337    3.1543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1511    4.4893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7609    6.8386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2220    3.4133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3800    7.2212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2254    1.3848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1844    4.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3817    6.2587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5721    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0467    6.6473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5294    4.0709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6106    2.0743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0026    5.6849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5354    2.1520    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7245    4.9098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9538    2.7259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4927    6.1452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3891    4.2980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9556    1.7276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8018    5.7626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7651    7.8369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7341    3.9154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7318    7.9923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3407    2.3433    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3868    3.3057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1101    7.4902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7643    6.7429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7580    8.9129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6874    0.9206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  6  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  2  0  0  0  0
  6  5  1  0  0  0  0
  7  2  1  0  0  0  0
  8  4  1  0  0  0  0
  9  7  2  0  0  0  0
 10  1  1  0  0  0  0
 11  8  1  0  0  0  0
 12  9  1  0  0  0  0
 13 10  3  0  0  0  0
 14 12  2  0  0  0  0
 15 11  2  0  0  0  0
 16  8  2  0  0  0  0
 17 14  1  0  0  0  0
 18  5  1  0  0  0  0
 19 12  1  0  0  0  0
 20 23  2  0  0  0  0
 21  3  1  0  0  0  0
 22 26  1  0  0  0  0
 23 16  1  0  0  0  0
 24 11  1  0  0  0  0
 25  7  1  0  0  0  0
 26 19  2  0  0  0  0
 27 14  1  0  0  0  0
 28 20  1  0  0  0  0
 29 22  1  0  0  0  0
 30 21  1  0  0  0  0
 31 24  1  0  0  0  0
 32 27  1  0  0  0  0
 33 28  1  0  0  0  0
 34 29  1  0  0  0  0
  3  2  2  0  0  0  0
 30 25  1  0  0  0  0
 20 15  1  0  0  0  0
 17 22  2  0  0  0  0
M  END
>  <Mol_ID> (6,360)
6360

>  <Formula> (6,360)
C27H28N2O5

>  <MolWeight> (6,360)
460.52162

>  <COMPOUND_NAME> (6,360)
WAY-324567

>  <BAR_CODE_NO> (6,360)
299568

$$$$
WAY-324571
csChFnd80/06171916332D

 24 26  0  0  0  0  0  0  0  0999 V2000
    4.8661    1.4119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0831    2.1002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5524    3.5143    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6552    2.1459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8661    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9844    3.4748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3022    1.4119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1142    3.5143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2035    4.1487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4361    1.4119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6552    3.5143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5213    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3022    4.1943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2191    3.5143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7985    4.1943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4361    4.2420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2191    2.1459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3915    3.4251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2420    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   13.3604    2.0090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6106    4.0657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5484    1.2751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7986    3.3339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7675    1.9634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3 13  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  2  0  0  0  0
  6 15  1  0  0  0  0
  7  2  1  0  0  0  0
  8  2  1  0  0  0  0
  9  6  2  0  0  0  0
 10  4  1  0  0  0  0
 11  4  2  0  0  0  0
 12  7  1  0  0  0  0
 13  8  1  0  0  0  0
 14 16  2  0  0  0  0
 15  3  1  0  0  0  0
 16 11  1  0  0  0  0
 17 10  2  0  0  0  0
 18  9  1  0  0  0  0
 19 14  1  0  0  0  0
 20 18  1  0  0  0  0
 21 18  2  0  0  0  0
 22 20  2  0  0  0  0
 23 21  1  0  0  0  0
 24 23  2  0  0  0  0
 17 14  1  0  0  0  0
 12  3  1  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <Mol_ID> (6,361)
6361

>  <Formula> (6,361)
C20H21ClN2O

>  <MolWeight> (6,361)
340.84654

>  <COMPOUND_NAME> (6,361)
WAY-324571

>  <BAR_CODE_NO> (6,361)
299572

$$$$
WAY-324572
csChFnd80/06171916332D

 24 26  0  0  0  0  0  0  0  0999 V2000
    2.8877    1.2127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2709    1.2127    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0813    1.2127    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1618    2.4237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1882    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1921    2.4237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9933    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9669    2.4237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5823    2.4237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8613    3.6593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7733    2.3973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4116    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3853    2.4237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7470    4.8368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4961    1.2127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1618    4.8368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0773    3.6329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2783    3.6329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.0531    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.6967    3.6593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5823    4.8368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3927    4.8632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2783    6.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6703    6.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3 13  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  2  0  0  0  0
  6 15  1  0  0  0  0
  7  2  1  0  0  0  0
  8  2  1  0  0  0  0
  9  6  2  0  0  0  0
 10  4  2  0  0  0  0
 11  4  1  0  0  0  0
 12  7  1  0  0  0  0
 13  8  1  0  0  0  0
 14 17  1  0  0  0  0
 15  3  1  0  0  0  0
 16 10  1  0  0  0  0
 17 11  2  0  0  0  0
 18  9  1  0  0  0  0
 19 14  1  0  0  0  0
 20 18  2  0  0  0  0
 21 18  1  0  0  0  0
 22 20  1  0  0  0  0
 23 21  2  0  0  0  0
 24 23  1  0  0  0  0
 16 14  2  0  0  0  0
 12  3  1  0  0  0  0
 22 24  2  0  0  0  0
M  END
>  <Mol_ID> (6,362)
6362

>  <Formula> (6,362)
C20H21FN2O

>  <MolWeight> (6,362)
324.3919432

>  <COMPOUND_NAME> (6,362)
WAY-324572

>  <BAR_CODE_NO> (6,362)
299573

$$$$
WAY-324582
csChFnd80/06171916332D

 28 30  0  0  0  0  0  0  0  0999 V2000
   -2.6865    0.3382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6865    1.1624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9727   -0.0756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4003   -0.0756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9727    1.5762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4003    1.5762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2520    0.3382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1106    0.3382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2520    1.1624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9727    2.4003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1106    1.1624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5348   -0.0756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1756    0.3382    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5279   -0.8997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8963   -0.0756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8963   -0.8997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6135    0.3382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6100   -1.3135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3273   -0.0756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3273   -0.8997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5997   -2.1376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0514    0.3520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3135   -2.5583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8859   -2.5480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0480    1.1762    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7721   -0.0618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0273   -2.1480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3342    1.5865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  2  0  0  0  0
 22 25  1  0  0  0  0
 22 26  2  0  0  0  0
 23 27  1  0  0  0  0
 25 28  1  0  0  0  0
  7  9  1  0  0  0  0
  8 11  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (6,363)
6363

>  <Formula> (6,363)
C20H15NO7

>  <MolWeight> (6,363)
381.3356

>  <COMPOUND_NAME> (6,363)
WAY-324582

>  <BAR_CODE_NO> (6,363)
299583

$$$$
WAY-324590
csChFnd80/06171916332D

 31 34  0  0  0  0  0  0  0  0999 V2000
   -0.3792   -0.1967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7930    0.5171    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4277   -0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7930   -0.9104    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6275    0.5171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2344    1.1378    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5070    0.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0449   -0.5622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6275   -0.9104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0344   -0.1967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0413    1.2378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8208   -0.3001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8829   -1.3691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0344   -1.6242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3206    1.6620    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4654    1.9620    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7654    0.8171    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.9829    0.5137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6275   -2.3380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8654   -1.6242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7656    0.7758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0344   -3.0484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2792   -2.3380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9277    1.5896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8654   -3.0484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7070    1.8516    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2827   -3.7760    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.8725    2.6620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4208    1.4516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6829    2.7516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0277    2.0171    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
 14 19  1  0  0  0  0
 14 20  2  0  0  0  0
 18 21  1  0  0  0  0
 19 22  2  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
 28 30  2  0  0  0  0
 29 31  2  0  0  0  0
  6  7  2  0  0  0  0
  9 10  1  0  0  0  0
 23 25  2  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (6,364)
6364

>  <Formula> (6,364)
C20H16BrF3N6O

>  <MolWeight> (6,364)
493.2798496

>  <COMPOUND_NAME> (6,364)
WAY-324590

>  <BAR_CODE_NO> (6,364)
299591

$$$$
WAY-324593
csChFnd80/06171916332D

 34 37  0  0  0  0  0  0  0  0999 V2000
    2.1377   -0.4761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2550   -0.4761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5826   -1.2588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5826    0.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8032   -1.2588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7929    0.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1377   -2.0209    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4895   -1.2588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4895    0.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2550   -2.0485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1174    0.2998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2343    1.0929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9343   -0.4761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7929   -2.8036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5657    1.0895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2343   -3.5864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1174   -2.8036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1174    1.8791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4899    1.0895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7929   -4.3795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5623   -3.5726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5657    2.6791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9519    1.8791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1174   -4.3554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4899    2.6584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5864   -5.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9692    3.4619    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4657   -5.1036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4347    4.2584    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7554    2.9791    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1795    3.9446    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3416    4.2584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8485    3.5032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8381    5.0170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
  8 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  2  0  0  0  0
 18 22  1  0  0  0  0
 19 23  2  0  0  0  0
 20 24  2  0  0  0  0
 22 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 30  2  0  0  0  0
 27 31  2  0  0  0  0
 29 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  2  0  0  0  0
  7 10  1  0  0  0  0
  9 13  1  0  0  0  0
 21 24  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (6,365)
6365

>  <Formula> (6,365)
C26H23N3O4S

>  <MolWeight> (6,365)
473.54352

>  <COMPOUND_NAME> (6,365)
WAY-324593

>  <BAR_CODE_NO> (6,365)
299594

$$$$
WAY-324631
csChFnd80/06171916332D

 29 31  0  0  0  0  0  0  0  0999 V2000
   -1.6090   -0.6671    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9910    0.3589    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0060   -0.6671    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2090   -0.6671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2820    0.8629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6090   -1.2731    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6090   -0.0611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1880   -0.6671    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7150   -1.2011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7150   -0.1631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5040    0.0559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4780    0.6499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6970   -0.1511    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1060   -0.1631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1180   -1.2011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5120   -0.1511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5120   -1.1861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9910    1.3789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8700    0.8629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0970   -0.1511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4210   -0.6671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8790    1.8919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1120   -1.1861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1120   -0.1511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2820    1.8829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1670    1.3699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7910   -0.6671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0210   -0.6671    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.1700    2.3959    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2 13  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  2  0  0  0  0
  7  1  2  0  0  0  0
  8 14  1  0  0  0  0
  9  3  1  0  0  0  0
 10  3  1  0  0  0  0
 11  2  2  0  0  0  0
 12  2  2  0  0  0  0
 13 20  1  0  0  0  0
 14 10  1  0  0  0  0
 15  9  1  0  0  0  0
  4 16  2  0  0  0  0
 17  4  1  0  0  0  0
 18  5  1  0  0  0  0
  5 19  2  0  0  0  0
 20 27  1  0  0  0  0
 21 23  1  0  0  0  0
 26 22  2  0  0  0  0
 23 17  2  0  0  0  0
 24 16  1  0  0  0  0
 25 18  2  0  0  0  0
 26 19  1  0  0  0  0
 27  8  1  0  0  0  0
 28 21  1  0  0  0  0
 29 22  1  0  0  0  0
 24 21  2  0  0  0  0
 15  8  1  0  0  0  0
 25 22  1  0  0  0  0
M  END
>  <Mol_ID> (6,366)
6366

>  <Formula> (6,366)
C18H21F2N3O4S2

>  <MolWeight> (6,366)
445.5038464

>  <COMPOUND_NAME> (6,366)
WAY-324631

>  <BAR_CODE_NO> (6,366)
299632

$$$$
WAY-324653
csChFnd80/06171916332D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.0082   -1.3061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8373   -0.1977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2623   -1.2769    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4165   -2.3852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3665   -0.2936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9457    0.8023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1457    0.8648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8210   -2.3852    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2793   -0.2977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0832   -0.1186    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4418   -1.3227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0665   -3.4561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6543   -1.3227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6710    0.7773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5002    0.7773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8585   -0.2311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2873    1.8564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7082    1.9648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5168   -0.2977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2793    1.8856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8165    2.9606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0790    3.0023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  2  0  0  0  0
  6  5  1  0  0  0  0
  7  2  1  0  0  0  0
  8  4  1  0  0  0  0
  9 13  2  0  0  0  0
 10  2  2  0  0  0  0
 11  8  1  0  0  0  0
 12  4  2  0  0  0  0
 13 11  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 11  2  0  0  0  0
 17  6  2  0  0  0  0
 18  7  2  0  0  0  0
 19  9  1  0  0  0  0
 20 14  1  0  0  0  0
 21 17  1  0  0  0  0
 22 18  1  0  0  0  0
  7  6  1  0  0  0  0
 22 21  2  0  0  0  0
 14  9  1  0  0  0  0
M  END
>  <Mol_ID> (6,367)
6367

>  <Formula> (6,367)
C18H15NO3

>  <MolWeight> (6,367)
293.3166

>  <COMPOUND_NAME> (6,367)
WAY-324653

>  <BAR_CODE_NO> (6,367)
299654

$$$$
WAY-324667
csChFnd80/06171916332D

 31 34  0  0  0  0  0  0  0  0999 V2000
    8.6652    3.0433    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6089    4.0376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0876    1.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8142    1.7318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2325    3.0433    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9317    0.8912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4476    1.3640    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9730    3.7769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1016    2.9888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1906    5.3915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3913    2.4128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.8294    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4137    1.3640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8406    4.8782    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7376    2.6230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1703    4.4053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4417    2.3623    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0777    1.9945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0642    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7513    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7902    4.9833    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.5547    5.8159    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.7723    6.7556    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.4223    6.1796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8115    3.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2122    1.3135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1736    0.7699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7152    3.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5377    0.4547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0793    2.7988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5016    1.4671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6  3  2  0  0  0  0
  7  3  1  0  0  0  0
  8  2  2  0  0  0  0
  9 18  1  0  0  0  0
 10  2  1  0  0  0  0
 11  7  2  0  0  0  0
 12 15  2  0  0  0  0
 13  4  1  0  0  0  0
 14 16  1  0  0  0  0
 15  9  1  0  0  0  0
 16  9  2  0  0  0  0
 17 13  1  0  0  0  0
 18 17  1  0  0  0  0
 19 13  2  0  0  0  0
 20 11  1  0  0  0  0
 21 10  1  0  0  0  0
 22 10  1  0  0  0  0
 23 10  1  0  0  0  0
 24 14  1  0  0  0  0
 25 17  1  0  0  0  0
 26 15  1  0  0  0  0
 27 20  2  0  0  0  0
 28 20  1  0  0  0  0
 29 27  1  0  0  0  0
 30 28  2  0  0  0  0
 31 30  1  0  0  0  0
  6  4  1  0  0  0  0
  8 11  1  0  0  0  0
 29 31  2  0  0  0  0
 14 12  1  0  0  0  0
M  END
>  <Mol_ID> (6,368)
6368

>  <Formula> (6,368)
C21H19F3N6O

>  <MolWeight> (6,368)
428.4103696

>  <COMPOUND_NAME> (6,368)
WAY-324667

>  <BAR_CODE_NO> (6,368)
299668

$$$$
WAY-324671
csChFnd80/06171916332D

 31 35  0  0  0  0  0  0  0  0999 V2000
    7.5227    4.2221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6443    5.5972    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9245    6.1785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1352    3.8840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6710    3.4263    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3641    6.1229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0873    5.3291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5415    2.6161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1850    2.4842    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9100    3.9809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0874    7.5722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4735    5.0838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3359    2.2677    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5748    1.2163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1749    1.1194    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.0706    3.1418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3459    3.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3517    1.4843    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9770    3.5191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2482    9.0132    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.5037    7.4546    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.6567    7.7330    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.3385    3.7108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8933    1.8059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3054    1.5647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4456    2.9130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0416    0.9834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4681    0.7174    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.0557    1.8904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3112    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.4577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  2  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7 10  1  0  0  0  0
  8  4  1  0  0  0  0
  9  8  1  0  0  0  0
 10  5  2  0  0  0  0
 11  3  1  0  0  0  0
 12  4  1  0  0  0  0
 13 19  1  0  0  0  0
 14  9  1  0  0  0  0
 15 14  1  0  0  0  0
 16 10  1  0  0  0  0
 17  9  1  0  0  0  0
 18  8  2  0  0  0  0
 19 17  1  0  0  0  0
 20 11  1  0  0  0  0
 21 11  1  0  0  0  0
 22 11  1  0  0  0  0
 23 16  1  0  0  0  0
 24 16  2  0  0  0  0
 25 27  2  0  0  0  0
 26 23  2  0  0  0  0
 27 24  1  0  0  0  0
 28 25  1  0  0  0  0
 29 13  1  0  0  0  0
 30 15  1  0  0  0  0
 31 30  1  0  0  0  0
  6 12  2  0  0  0  0
  3  7  2  0  0  0  0
 26 25  1  0  0  0  0
 15 13  1  0  0  0  0
 31 29  1  0  0  0  0
M  END
>  <Mol_ID> (6,369)
6369

>  <Formula> (6,369)
C21H19BrF3N5O

>  <MolWeight> (6,369)
494.3076696

>  <COMPOUND_NAME> (6,369)
WAY-324671

>  <BAR_CODE_NO> (6,369)
299672

$$$$
WAY-324680
csChFnd80/06171916332D

 33 36  0  0  0  0  0  0  0  0999 V2000
   -0.0333    3.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8917    5.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2500    5.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3083    3.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0917    0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    1.1583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8750    6.7042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6542    3.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.6125    2.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -13.8625    0.2875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8750    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7542   -0.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7875    1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2375    7.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3125    2.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8125    5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8250    0.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2167    2.1625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2167   -0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2625   -0.6667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667    8.6292    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.1875    9.7917    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.4000    6.5917    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.3167   -2.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5167   -0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0000   -0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3917   -3.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0042   -1.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7500   -4.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1375   -4.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0000    5.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6667    5.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6000   -5.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  2  0  0  0  0
  5 17  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8 13  1  0  0  0  0
  9 15  2  0  0  0  0
 10 12  1  0  0  0  0
 11  4  1  0  0  0  0
 12  5  2  0  0  0  0
 13  6  2  0  0  0  0
 14  3  1  0  0  0  0
 15  5  1  0  0  0  0
 16  4  1  0  0  0  0
 17 18  1  0  0  0  0
 18 11  1  0  0  0  0
 19 13  1  0  0  0  0
 20 11  2  0  0  0  0
 21 14  1  0  0  0  0
 22 14  1  0  0  0  0
 23 14  1  0  0  0  0
 24 19  2  0  0  0  0
 25 19  1  0  0  0  0
 26 10  1  0  0  0  0
 27 12  1  0  0  0  0
 28 25  2  0  0  0  0
 29 24  1  0  0  0  0
 30 28  1  0  0  0  0
 31 15  1  0  0  0  0
 32 18  1  0  0  0  0
 33 30  1  0  0  0  0
 16  7  2  0  0  0  0
  8  3  2  0  0  0  0
 29 30  2  0  0  0  0
 10  9  1  0  0  0  0
M  END
>  <Mol_ID> (6,370)
6370

>  <Formula> (6,370)
C23H23F3N6O

>  <MolWeight> (6,370)
456.4635296

>  <COMPOUND_NAME> (6,370)
WAY-324680

>  <BAR_CODE_NO> (6,370)
299681

$$$$
WAY-324703
csChFnd80/06171916332D

 32 36  0  0  0  0  0  0  0  0999 V2000
   -4.2875   -3.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9250   -2.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7625   -2.2000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -4.2875   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9875   -2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7625   -6.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1125   -4.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3000   -1.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9250   -6.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1250   -0.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9875   -6.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6375   -5.3625    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -7.6375   -3.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7958    1.0458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3000   -6.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0250   -0.4875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8750    0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458    0.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7458    2.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6458    2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3375   -8.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0000   -5.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7042   -8.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6542   -6.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0000   -9.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8125   -4.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.3792   -9.1042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1250   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042   -7.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0000   -8.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9500   -5.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000   -7.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  2  1  0  0  0  0
  8  2  1  0  0  0  0
  9  6  1  0  0  0  0
 10  3  1  0  0  0  0
 11  4  1  0  0  0  0
 12 13  1  0  0  0  0
 13  5  1  0  0  0  0
 14 10  1  0  0  0  0
 15 12  1  0  0  0  0
 16  5  2  0  0  0  0
 17 10  2  0  0  0  0
 18  8  2  0  0  0  0
 19 14  1  0  0  0  0
 20 17  1  0  0  0  0
 21 15  1  0  0  0  0
 22 15  2  0  0  0  0
 23 24  2  0  0  0  0
 24 22  1  0  0  0  0
 25 21  2  0  0  0  0
 26  7  1  0  0  0  0
 27 23  1  0  0  0  0
 28  8  1  0  0  0  0
 29  9  1  0  0  0  0
 30 27  1  0  0  0  0
 31 26  2  0  0  0  0
 32 29  2  0  0  0  0
 11 12  1  0  0  0  0
  7  9  2  0  0  0  0
 19 20  2  0  0  0  0
 32 31  1  0  0  0  0
 25 23  1  0  0  0  0
M  END
>  <Mol_ID> (6,371)
6371

>  <Formula> (6,371)
C26H24N2O4

>  <MolWeight> (6,371)
428.47976

>  <COMPOUND_NAME> (6,371)
WAY-324703

>  <BAR_CODE_NO> (6,371)
299704

$$$$
WAY-324708
csChFnd80/06171916332D

 22 23  0  0  0  0  0  0  0  0999 V2000
    3.6361    4.1180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4161    3.4155    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2064    4.1180    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2064    5.5076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9439    1.3591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8764    3.4155    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7070    2.0089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6361    5.5347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1503    2.1175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6917    3.3646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4904    1.2980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2064    1.3133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0777    4.0993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4161    6.2202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8828    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2993    3.4155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4904    4.0993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2688    1.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4161    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  7  1  0  0  0  0
  6  1  1  0  0  0  0
  7 12  2  0  0  0  0
  8  1  2  0  0  0  0
  9  4  2  0  0  0  0
 10  5  2  0  0  0  0
 11 19  2  0  0  0  0
 12 20  1  0  0  0  0
 13 22  1  0  0  0  0
 14 13  2  0  0  0  0
 15  6  1  0  0  0  0
 16  4  1  0  0  0  0
 17  5  1  0  0  0  0
 18 15  1  0  0  0  0
 19 18  1  0  0  0  0
 20 18  2  0  0  0  0
 21  3  1  0  0  0  0
 22  2  1  0  0  0  0
 21 14  1  0  0  0  0
  7 11  1  0  0  0  0
M  END
>  <Mol_ID> (6,372)
6372

>  <Formula> (6,372)
C16H17NO5

>  <MolWeight> (6,372)
303.30988

>  <COMPOUND_NAME> (6,372)
WAY-324708

>  <BAR_CODE_NO> (6,372)
299709

$$$$
WAY-324709
csChFnd80/06171916332D

 21 24  0  0  0  0  0  0  0  0999 V2000
    1.3414    0.0175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7793    0.7175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5655    0.3313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2793   -0.8031    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3897    1.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6034    0.6934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0414   -0.3066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4793   -0.9928    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8241    2.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5517    1.4796    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.0379    1.3934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7724   -0.3066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6483    2.1175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9828   -1.1066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3379    0.2589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7724   -1.3204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1379    0.0486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3517   -0.7411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1483   -2.0445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0759   -1.1135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9621   -1.9066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  9 13  2  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
  7  8  2  0  0  0  0
 11 13  1  0  0  0  0
 17 18  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (6,373)
6373

>  <Formula> (6,373)
C15H9FN2O3

>  <MolWeight> (6,373)
284.2419632

>  <COMPOUND_NAME> (6,373)
WAY-324709

>  <BAR_CODE_NO> (6,373)
299710

$$$$
WAY-324806
csChFnd80/06171916332D

 23 25  0  0  0  0  0  0  0  0999 V2000
    5.8875   -3.0875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2167   -2.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4667   -1.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5542   -2.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000   -1.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8875   -3.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1667   -4.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4375   -2.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7375   -2.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0875   -5.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4167   -3.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3375   -2.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2792   -5.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8667   -4.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9042   -3.3667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2667   -3.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8167   -2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9500   -2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8667   -3.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3500   -2.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0375   -2.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4875   -3.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0792   -3.6292    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  2  1  0  0  0  0
  9 18  1  0  0  0  0
 10  7  1  0  0  0  0
 11  7  2  0  0  0  0
 12  4  1  0  0  0  0
 13 10  1  0  0  0  0
 14 11  1  0  0  0  0
 15  9  2  0  0  0  0
 16  8  1  0  0  0  0
 17  8  2  0  0  0  0
 18 12  1  0  0  0  0
 19 21  2  0  0  0  0
 20  9  1  0  0  0  0
 21 17  1  0  0  0  0
 22 16  2  0  0  0  0
 23 19  1  0  0  0  0
  5  3  1  0  0  0  0
 14 13  2  0  0  0  0
 19 22  1  0  0  0  0
M  END
>  <Mol_ID> (6,374)
6374

>  <Formula> (6,374)
C18H16FNO3

>  <MolWeight> (6,374)
313.3229432

>  <COMPOUND_NAME> (6,374)
WAY-324806

>  <BAR_CODE_NO> (6,374)
299807

$$$$
WAY-324820-A
csChFnd80/06171916332D

 16 18  0  0  0  0  0  0  0  0999 V2000
   -1.4125    0.3958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8500   -0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4125   -1.1667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3125    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3125   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042   -0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000    0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1500    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1500   -1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9958    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9958   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4667    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792   -1.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8125    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9042   -0.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167   -1.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  2  1  0  0  0  0
  7  6  1  0  0  0  0
  8  4  1  0  0  0  0
  9  5  1  0  0  0  0
 10  8  2  0  0  0  0
 11 10  1  0  0  0  0
 12  7  2  0  0  0  0
 13  6  2  0  0  0  0
 14 10  1  0  0  0  0
 15 16  2  0  0  0  0
 16 13  1  0  0  0  0
  5  3  1  0  0  0  0
  9 11  2  0  0  0  0
 12 15  1  0  0  0  0
M  END
>  <Mol_ID> (6,375)
6375

>  <Formula> (6,375)
C13H11N3

>  <MolWeight> (6,375)
209.24654

>  <COMPOUND_NAME> (6,375)
WAY-324820-A

>  <BAR_CODE_NO> (6,375)
299821

$$$$
WAY-324829
csChFnd80/06171916332D

 30 33  0  0  0  0  0  0  0  0999 V2000
  -10.6667    7.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2292    8.4792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7917    6.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9000    8.7417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7917    7.6542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -9.2542    5.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6917    6.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5792   10.1042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3542    5.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2417   10.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3667    3.5208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3542    8.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8583    6.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0708    2.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9333    7.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3542   10.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9375    2.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4833   10.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2542    3.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9333   10.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4833    8.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0458   10.9875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  -12.0625   11.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5208    3.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2667   16.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0833    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0875   14.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9583    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2667   13.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5333    0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  6  2  0  0  0  0
  4  1  2  0  0  0  0
  5  2  1  0  0  0  0
  6  7  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  3  1  0  0  0  0
 10  4  1  0  0  0  0
 11  9  1  0  0  0  0
 12  5  1  0  0  0  0
 13  9  2  0  0  0  0
 14 24  2  0  0  0  0
 15 12  1  0  0  0  0
 16 12  2  0  0  0  0
 17 11  1  0  0  0  0
 18 20  2  0  0  0  0
 19  6  1  0  0  0  0
 20 16  1  0  0  0  0
 21 15  2  0  0  0  0
 22 18  1  0  0  0  0
 23 10  1  0  0  0  0
 24 17  1  0  0  0  0
 25 27  1  0  0  0  0
 26 30  2  0  0  0  0
 27 29  1  0  0  0  0
 28 17  2  0  0  0  0
 29 23  1  0  0  0  0
 30 28  1  0  0  0  0
 10  8  2  0  0  0  0
  5  3  1  0  0  0  0
 18 21  1  0  0  0  0
 26 14  1  0  0  0  0
M  END
>  <Mol_ID> (6,376)
6376

>  <Formula> (6,376)
C21H21ClN6O2

>  <MolWeight> (6,376)
424.88344

>  <COMPOUND_NAME> (6,376)
WAY-324829

>  <BAR_CODE_NO> (6,376)
299830

$$$$
WAY-324866
csChFnd80/06171916332D

 17 19  0  0  0  0  0  0  0  0999 V2000
    9.0167   -1.3042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6417   -3.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6417    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3500   -1.3042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4292   -0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4292   -2.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5167   -3.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4042    1.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4042   -3.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5167    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8292   -3.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3375   -5.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000   -0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000   -2.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5042   -7.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -5.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8292   -7.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8  5  2  0  0  0  0
  9  6  2  0  0  0  0
 10  4  1  0  0  0  0
 11  7  1  0  0  0  0
 12  7  2  0  0  0  0
 13  8  1  0  0  0  0
 14  9  1  0  0  0  0
 15 12  1  0  0  0  0
 16 11  2  0  0  0  0
 17 15  2  0  0  0  0
  5  6  1  0  0  0  0
 13 14  2  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (6,377)
6377

>  <Formula> (6,377)
C16H17N

>  <MolWeight> (6,377)
223.31288

>  <COMPOUND_NAME> (6,377)
WAY-324866

>  <BAR_CODE_NO> (6,377)
299867

$$$$
WAY-324883
csChFnd80/06171916332D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -7.1372    0.3018    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6414   -1.9565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8372   -0.4482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9586   -1.9565    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5545   -0.4482    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1705   -0.2940    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1705    0.9060    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9414   -2.7065    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1330    1.5018    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6586   -2.7065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6414   -0.7565    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5372    0.2976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8414   -1.9482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8503    0.3060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2414   -1.9524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9545   -0.4565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5545   -1.9482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2545    0.2976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2586   -2.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5414   -2.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2372   -0.4524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8461    1.8060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5420    2.5476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1420    2.5643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1336    4.0601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5336    4.0435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8295    4.8018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  8  1  0  0  0  0
  3  1  1  0  0  0  0
  4 10  1  0  0  0  0
  5 18  1  0  0  0  0
  6  1  2  0  0  0  0
  7  1  2  0  0  0  0
  8 15  1  0  0  0  0
  9  1  1  0  0  0  0
 10  2  1  0  0  0  0
 11  2  2  0  0  0  0
 12  3  1  0  0  0  0
 13  3  2  0  0  0  0
 14  5  1  0  0  0  0
 15 21  1  0  0  0  0
 16  4  1  0  0  0  0
 17 19  1  0  0  0  0
 18 16  1  0  0  0  0
 19  4  1  0  0  0  0
 20 13  1  0  0  0  0
 21 12  2  0  0  0  0
 22 14  1  0  0  0  0
 23 22  1  0  0  0  0
 24 22  2  0  0  0  0
 25 24  1  0  0  0  0
 26 23  2  0  0  0  0
 27 26  1  0  0  0  0
 15 20  2  0  0  0  0
 17  5  1  0  0  0  0
 27 25  2  0  0  0  0
M  END
>  <Mol_ID> (6,378)
6378

>  <Formula> (6,378)
C19H24N4O3S

>  <MolWeight> (6,378)
388.48386

>  <COMPOUND_NAME> (6,378)
WAY-324883

>  <BAR_CODE_NO> (6,378)
299884

$$$$
WAY-324894
csChFnd80/06171916332D

 14 15  0  0  0  0  0  0  0  0999 V2000
   13.3917   -5.8792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1167   -8.6917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7042   -6.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5167   -7.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2750   -7.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1000   -4.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0167   -8.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8292  -10.5875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.5667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4125   -8.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0750   -2.9042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1417  -10.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2667   -9.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8292   -4.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8  7  1  0  0  0  0
  9  5  1  0  0  0  0
 10  7  2  0  0  0  0
 11  6  2  0  0  0  0
 12  8  1  0  0  0  0
 13 10  1  0  0  0  0
 14  6  1  0  0  0  0
  2  4  1  0  0  0  0
 13 12  2  0  0  0  0
M  END
>  <Mol_ID> (6,379)
6379

>  <Formula> (6,379)
C8H8N4O2

>  <MolWeight> (6,379)
192.17472

>  <COMPOUND_NAME> (6,379)
WAY-324894

>  <BAR_CODE_NO> (6,379)
299895

$$$$
WAY-324913
csChFnd80/06171916332D

 30 33  0  0  0  0  0  0  0  0999 V2000
    7.9287    6.2398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0937    4.9184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5032    4.9184    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.8221    7.0499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6489    6.2398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3103    6.2398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1590    3.8634    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8947    7.5011    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7838    4.1899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2673    6.5278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1122    6.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5131    6.7254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2806    7.6623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8363    3.1285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1654    5.1139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0739    8.0082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3520    5.5049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8457    8.4530    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2660    1.7985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4675    3.4293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2273    9.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8565    8.9687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9519    1.0529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3511    5.6081    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3055    0.7929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5221    2.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.4921    8.2080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7542    5.7585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3343    7.0821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9  7  2  0  0  0  0
 10  5  1  0  0  0  0
 11 13  2  0  0  0  0
 12 11  1  0  0  0  0
 13  8  1  0  0  0  0
 14  9  1  0  0  0  0
 15  6  2  0  0  0  0
 16 21  1  0  0  0  0
 17 10  2  0  0  0  0
 18  4  1  0  0  0  0
 19 14  2  0  0  0  0
 20 14  1  0  0  0  0
 21 22  2  0  0  0  0
 22 13  1  0  0  0  0
 23 26  1  0  0  0  0
 24 12  1  0  0  0  0
 25 19  1  0  0  0  0
 26 20  2  0  0  0  0
 27 23  1  0  0  0  0
 28 16  1  0  0  0  0
 29 24  1  0  0  0  0
 30 28  1  0  0  0  0
  2  5  2  0  0  0  0
  9 17  1  0  0  0  0
 12 16  2  0  0  0  0
 25 23  2  0  0  0  0
M  END
>  <Mol_ID> (6,380)
6380

>  <Formula> (6,380)
C22H18FN3O3S

>  <MolWeight> (6,380)
423.4600232

>  <COMPOUND_NAME> (6,380)
WAY-324913

>  <BAR_CODE_NO> (6,380)
299914

$$$$
WAY-324914
csChFnd80/06171916332D

 32 35  0  0  0  0  0  0  0  0999 V2000
    7.9380    6.2393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0865    4.9217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5117    4.9217    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.8357    7.0574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6537    6.2393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3288    6.2393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1693    3.8560    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.1343    7.8282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9209    7.5160    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3506    8.9779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5185    6.5795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3354    7.6086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7914    4.1918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2866    6.5407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9555    8.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1298    6.4589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8333    3.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0953    5.1025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3500    5.5159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8594    8.4504    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2725    1.7956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4705    3.4297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5552    7.9315    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3000    5.4126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9836   10.2309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9624    1.0571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3188    0.7794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5232    2.3898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   16.3669    6.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7081    5.5159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2214   11.3892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8 11  2  0  0  0  0
  9  6  1  0  0  0  0
 10 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12  9  1  0  0  0  0
 13  7  2  0  0  0  0
 14  5  1  0  0  0  0
 15 12  1  0  0  0  0
 16 12  2  0  0  0  0
 17 13  1  0  0  0  0
 18  6  2  0  0  0  0
 19 14  2  0  0  0  0
 20  4  1  0  0  0  0
 21 17  2  0  0  0  0
 22 17  1  0  0  0  0
 23  8  1  0  0  0  0
 24 11  1  0  0  0  0
 25 10  1  0  0  0  0
 26 28  1  0  0  0  0
 27 21  1  0  0  0  0
 28 22  2  0  0  0  0
 29 26  1  0  0  0  0
 30 23  1  0  0  0  0
 31 24  1  0  0  0  0
 32 25  1  0  0  0  0
  5  2  2  0  0  0  0
 19 13  1  0  0  0  0
 10  8  1  0  0  0  0
 27 26  2  0  0  0  0
M  END
>  <Mol_ID> (6,381)
6381

>  <Formula> (6,381)
C23H20FN3O4S

>  <MolWeight> (6,381)
453.4860032

>  <COMPOUND_NAME> (6,381)
WAY-324914

>  <BAR_CODE_NO> (6,381)
299915

$$$$
WAY-324920
csChFnd80/06171916332D

 31 34  0  0  0  0  0  0  0  0999 V2000
    4.4167    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5625    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4875   -0.3417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.4167    2.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5625    2.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3500   -0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708   -0.3417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2750    0.7708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3000    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2042   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708    4.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2250   -0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1375    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1417    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0667   -0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0625   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3500   -2.5750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0667   -2.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3000    2.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5250    4.9042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2250   -2.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2042   -2.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1417   -3.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0625   -2.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1375    3.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.1375   -3.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9917    0.7708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -3.6875    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9917   -3.6792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9167   -0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9917   -5.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9  7  2  0  0  0  0
 10  8  1  0  0  0  0
 11  5  1  0  0  0  0
 12  9  1  0  0  0  0
 13 10  2  0  0  0  0
 14 12  2  0  0  0  0
 15 14  1  0  0  0  0
 16 13  1  0  0  0  0
 17  6  2  0  0  0  0
 18 23  1  0  0  0  0
 19 11  2  0  0  0  0
 20  4  1  0  0  0  0
 21 12  1  0  0  0  0
 22 10  1  0  0  0  0
 23 21  2  0  0  0  0
 24 26  1  0  0  0  0
 25 13  1  0  0  0  0
 26 22  2  0  0  0  0
 27 15  1  0  0  0  0
 28 24  1  0  0  0  0
 29 18  1  0  0  0  0
 30 27  1  0  0  0  0
 31 29  1  0  0  0  0
  2  5  2  0  0  0  0
 19  9  1  0  0  0  0
 16 24  2  0  0  0  0
 18 15  2  0  0  0  0
M  END
>  <Mol_ID> (6,382)
6382

>  <Formula> (6,382)
C22H17ClFN3O3S

>  <MolWeight> (6,382)
457.9050832

>  <COMPOUND_NAME> (6,382)
WAY-324920

>  <BAR_CODE_NO> (6,382)
299921

$$$$
WAY-324924
csChFnd80/06171916332D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -1.1958   12.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1958   10.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417   10.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417   12.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6250   13.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6250    9.6750    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.0208   13.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0208    9.6750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8458   12.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2750    9.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8458   10.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6250    7.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2750   13.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0208   16.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2750    7.5750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417    6.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1958    6.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1000   10.7292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6250    3.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417    4.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1958    4.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6250    1.2625    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -6.6542    9.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4792   10.7292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1000   12.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9250   13.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  7  1  0  0  0  0
 10  3  1  0  0  0  0
 11  9  2  0  0  0  0
 12  6  1  0  0  0  0
 13  4  1  0  0  0  0
 14  7  2  0  0  0  0
 15 10  2  0  0  0  0
 16 12  2  0  0  0  0
 17 12  1  0  0  0  0
 18 10  1  0  0  0  0
 19 21  1  0  0  0  0
 20 16  1  0  0  0  0
 21 17  2  0  0  0  0
 22 19  1  0  0  0  0
 23 11  1  0  0  0  0
 24 23  1  0  0  0  0
 25 18  1  0  0  0  0
 26 25  1  0  0  0  0
  6  3  1  0  0  0  0
  8 11  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (6,383)
6383

>  <Formula> (6,383)
C18H16ClNO6

>  <MolWeight> (6,383)
377.77574

>  <COMPOUND_NAME> (6,383)
WAY-324924

>  <BAR_CODE_NO> (6,383)
299925

$$$$
WAY-324944
csChFnd80/06171916332D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -0.2414    0.0516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5103    0.3171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2414   -0.7794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9897    0.4654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0069   -0.3794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8621    1.0654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5103   -1.0311    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9897   -1.1829    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6931    0.0516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8379   -0.2794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7069    1.1413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6931   -0.7794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3931    0.4654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1621    0.4689    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3103   -0.9587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3931   -1.1829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1138    0.0516    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0069    0.5654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1138   -0.7794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3586    1.3171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8931   -0.4829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5379   -1.4829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8586    1.9689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1621    1.3896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  8 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  2  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 16 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 20 24  2  0  0  0  0
  5  7  1  0  0  0  0
  9 12  1  0  0  0  0
 11 14  1  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (6,384)
6384

>  <Formula> (6,384)
C18H19N3O2S

>  <MolWeight> (6,384)
341.42736

>  <COMPOUND_NAME> (6,384)
WAY-324944

>  <BAR_CODE_NO> (6,384)
299945

$$$$
WAY-324965
csChFnd80/06171916332D

 30 33  0  0  0  0  0  0  0  0999 V2000
    4.5667   -1.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0125   -0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8542   -2.3875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3000   -1.1542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1250    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1542   -2.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7250   -1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4083    0.0833    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.6750   -1.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167    0.4958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042    0.0875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9375   -3.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9417   -2.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1417   -1.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7167   -1.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4292   -0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3167   -3.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4292   -2.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1417   -1.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5292   -2.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5167   -3.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9000   -4.3000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.3167    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458    0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4083    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458    1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5500    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5500    1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  8  1  0  0  0  0
  6  1  1  0  0  0  0
  7 18  1  0  0  0  0
  8 12  1  0  0  0  0
  9  1  2  0  0  0  0
 10  8  1  0  0  0  0
 11  2  2  0  0  0  0
 12  4  1  0  0  0  0
 13  5  1  0  0  0  0
 14  6  2  0  0  0  0
 15  6  1  0  0  0  0
 16  3  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  2  0  0  0  0
 19 22  1  0  0  0  0
 20 16  2  0  0  0  0
 21 16  1  0  0  0  0
 22 15  2  0  0  0  0
 23 14  1  0  0  0  0
 24 19  1  0  0  0  0
 25 10  1  0  0  0  0
 26  5  2  0  0  0  0
 27 25  1  0  0  0  0
 28 13  2  0  0  0  0
 29 26  1  0  0  0  0
 30 29  2  0  0  0  0
 23 19  2  0  0  0  0
  7 17  2  0  0  0  0
 13 27  1  0  0  0  0
 28 30  1  0  0  0  0
M  END
>  <Mol_ID> (6,385)
6385

>  <Formula> (6,385)
C24H21ClN2O3

>  <MolWeight> (6,385)
420.88814

>  <COMPOUND_NAME> (6,385)
WAY-324965

>  <BAR_CODE_NO> (6,385)
299966

$$$$
WAY-324977
csChFnd80/06171916332D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -0.2856   -0.1647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4822    0.0836    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5282    0.7422    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0903   -1.3268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3891   -0.7302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9787    1.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7282    0.4870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2903   -1.5820    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7235   -2.2371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4511   -0.1199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1960    1.0732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3718    2.2629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1040   -0.6716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5454    1.3974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5684   -0.6199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3006   -0.9233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7385    1.1422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1213   -0.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
 10 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  2  0  0  0  0
 16 18  2  0  0  0  0
  8 13  2  0  0  0  0
 10 11  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (6,386)
6386

>  <Formula> (6,386)
C13H12N4O

>  <MolWeight> (6,386)
240.26058

>  <COMPOUND_NAME> (6,386)
WAY-324977

>  <BAR_CODE_NO> (6,386)
299978

$$$$
WAY-324979
csChFnd80/06171916332D

 20 22  0  0  0  0  0  0  0  0999 V2000
    3.1500   -4.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1167   -4.1625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8292   -3.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4625   -3.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8667   -5.1167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042   -5.3042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2917   -4.4917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8292   -4.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8542   -4.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0292   -3.1792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.9542   -2.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7542   -2.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6875   -2.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4375   -3.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2042   -2.6292    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2167   -5.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4292   -1.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8875   -1.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6292   -1.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3625   -0.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  1  0  0  0  0
  7  5  1  0  0  0  0
  8  9  1  0  0  0  0
  9  6  2  0  0  0  0
 10  3  1  0  0  0  0
 11 12  1  0  0  0  0
 12 10  1  0  0  0  0
 13 11  2  0  0  0  0
 14  4  1  0  0  0  0
 15 13  1  0  0  0  0
 16  9  1  0  0  0  0
 17 11  1  0  0  0  0
 18 13  1  0  0  0  0
 19 17  2  0  0  0  0
 20 19  1  0  0  0  0
  7  3  2  0  0  0  0
  4  8  2  0  0  0  0
 18 20  2  0  0  0  0
M  END
>  <Mol_ID> (6,387)
6387

>  <Formula> (6,387)
C14H13ClN4S

>  <MolWeight> (6,387)
304.79782

>  <COMPOUND_NAME> (6,387)
WAY-324979

>  <BAR_CODE_NO> (6,387)
299980

$$$$
WAY-325003
csChFnd80/06171916332D

 30 32  0  0  0  0  0  0  0  0999 V2000
   -0.4250    1.1208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208    0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7625    3.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333    1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708    0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167    0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708   -0.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3125    2.7083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167   -0.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208   -0.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042    1.1208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0583    1.1125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042    2.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5208   -0.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542    3.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167    2.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4125    2.0833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6625    3.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042    2.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6625    1.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167    2.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3125    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8542    3.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6667    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6667   -0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0708   -1.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000   -1.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4042    2.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8542    1.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3 13  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  2  2  0  0  0  0
  7  5  2  0  0  0  0
  8  3  1  0  0  0  0
  9  6  1  0  0  0  0
 10  9  2  0  0  0  0
 11  1  2  0  0  0  0
 12  1  2  0  0  0  0
 13 18  1  0  0  0  0
 14  7  1  0  0  0  0
 15  3  2  0  0  0  0
 16  4  1  0  0  0  0
 17 29  1  0  0  0  0
 18 21  2  0  0  0  0
 19 20  1  0  0  0  0
 20 16  2  0  0  0  0
 21 16  1  0  0  0  0
 22  8  1  0  0  0  0
 23  8  1  0  0  0  0
 24  6  1  0  0  0  0
 25  9  1  0  0  0  0
 26 14  1  0  0  0  0
 27 14  1  0  0  0  0
 28 14  1  0  0  0  0
 29 23  1  0  0  0  0
 30 22  1  0  0  0  0
 19 13  2  0  0  0  0
  7 10  1  0  0  0  0
 30 17  1  0  0  0  0
M  END
>  <Mol_ID> (6,388)
6388

>  <Formula> (6,388)
C23H30N2O4S

>  <MolWeight> (6,388)
430.5603

>  <COMPOUND_NAME> (6,388)
WAY-325003

>  <BAR_CODE_NO> (6,388)
300004

$$$$
WAY-325006
csChFnd80/06171916332D

 30 34  0  0  0  0  0  0  0  0999 V2000
    0.6500   -0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8125   -3.4667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667   -1.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542   -2.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0792   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667    0.2458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3542    0.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6417    0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0875   -2.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583   -1.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0917   -3.0542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7917   -0.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8167   -4.2917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5167   -3.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6042   -3.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6625   -3.0667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8042   -1.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3542    1.4833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7792    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7750   -0.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7750   -2.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8167   -4.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1792   -3.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4875   -1.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4875   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9792   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6167   -4.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2000   -4.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 13  1  0  0  0  0
  3  4  2  0  0  0  0
  4  1  1  0  0  0  0
  5 12  1  0  0  0  0
  6  4  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  1  2  0  0  0  0
 10  3  1  0  0  0  0
 11  1  1  0  0  0  0
 12 11  1  0  0  0  0
 13 10  1  0  0  0  0
 14  6  2  0  0  0  0
 15  2  2  0  0  0  0
 16  2  2  0  0  0  0
 17  2  1  0  0  0  0
 18  5  2  0  0  0  0
 19 14  1  0  0  0  0
 20  8  2  0  0  0  0
 21  7  1  0  0  0  0
 22 11  2  0  0  0  0
 23 12  2  0  0  0  0
 24 17  2  0  0  0  0
 25 17  1  0  0  0  0
 26 27  2  0  0  0  0
 27 22  1  0  0  0  0
 28 25  2  0  0  0  0
 29 24  1  0  0  0  0
 30 28  1  0  0  0  0
  5  3  1  0  0  0  0
  6  7  1  0  0  0  0
 23 26  1  0  0  0  0
 10 19  2  0  0  0  0
 29 30  2  0  0  0  0
M  END
>  <Mol_ID> (6,389)
6389

>  <Formula> (6,389)
C23H16N2O4S

>  <MolWeight> (6,389)
416.44914

>  <COMPOUND_NAME> (6,389)
WAY-325006

>  <BAR_CODE_NO> (6,389)
300007

$$$$
WAY-325010
csChFnd80/06171916332D

 31 35  0  0  0  0  0  0  0  0999 V2000
   -0.8458   -0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917   -3.8167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333   -2.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333   -1.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458   -2.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792   -0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792   -0.0917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333    0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792   -2.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5583   -1.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5583   -2.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792   -3.4042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167   -4.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3000   -1.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7125   -3.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792   -4.5417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458   -3.4042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3000   -2.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333    1.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167   -5.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7292   -3.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4417   -5.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4417   -4.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7292   -5.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1542   -5.4792    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2708   -0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2708   -2.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9875   -2.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9875   -1.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 13  1  0  0  0  0
  3  4  2  0  0  0  0
  4  1  1  0  0  0  0
  5 12  1  0  0  0  0
  6  4  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  1  2  0  0  0  0
 10  3  1  0  0  0  0
 11  1  1  0  0  0  0
 12 11  1  0  0  0  0
 13 10  1  0  0  0  0
 14  2  1  0  0  0  0
 15  6  2  0  0  0  0
 16  2  2  0  0  0  0
 17  2  2  0  0  0  0
 18  5  2  0  0  0  0
 19 15  1  0  0  0  0
 20  8  2  0  0  0  0
 21 14  2  0  0  0  0
 22 14  1  0  0  0  0
 23  7  1  0  0  0  0
 24 25  1  0  0  0  0
 25 22  2  0  0  0  0
 26 21  1  0  0  0  0
 27 24  1  0  0  0  0
 28 11  2  0  0  0  0
 29 12  2  0  0  0  0
 30 31  2  0  0  0  0
 31 28  1  0  0  0  0
  5  3  1  0  0  0  0
  6  7  1  0  0  0  0
 29 30  1  0  0  0  0
 10 19  2  0  0  0  0
 26 24  2  0  0  0  0
M  END
>  <Mol_ID> (6,390)
6390

>  <Formula> (6,390)
C23H15FN2O4S

>  <MolWeight> (6,390)
434.4396032

>  <COMPOUND_NAME> (6,390)
WAY-325010

>  <BAR_CODE_NO> (6,390)
300011

$$$$
WAY-325046
csChFnd80/06171916332D

 16 18  0  0  0  0  0  0  0  0999 V2000
    0.9167   -0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9583   -0.8125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042    0.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542   -1.1542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7708   -0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4375    0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3250    1.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6875   -0.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792    0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8167   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1500    1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7208   -0.2917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5417    0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2167    1.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5917   -0.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7250   -1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  3  1  0  0  0  0
  7  3  1  0  0  0  0
  8  2  1  0  0  0  0
  9  8  1  0  0  0  0
 10  5  2  0  0  0  0
 11  6  2  0  0  0  0
 12  8  2  0  0  0  0
 13 10  1  0  0  0  0
 14 11  1  0  0  0  0
 15 13  1  0  0  0  0
 16 15  1  0  0  0  0
  5  6  1  0  0  0  0
  9  7  2  0  0  0  0
 13 14  2  0  0  0  0
M  END
>  <Mol_ID> (6,391)
6391

>  <Formula> (6,391)
C11H8N2O2S

>  <MolWeight> (6,391)
232.25842

>  <COMPOUND_NAME> (6,391)
WAY-325046

>  <BAR_CODE_NO> (6,391)
300047

$$$$
WAY-325065
csChFnd80/06171916332D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -0.8333    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958    1.0708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8333    1.6958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333    1.6708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333    1.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333    2.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292    3.1125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1958    1.0708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958    3.1125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333    2.4958    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5500    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667    1.0958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958    2.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292    3.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9125    1.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958    3.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2708    1.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9125    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5500    1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2708    1.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5875    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6500    1.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  6  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  2  0  0  0  0
  7 11  1  0  0  0  0
  8  7  2  0  0  0  0
  9  1  1  0  0  0  0
 10  7  1  0  0  0  0
 11 14  1  0  0  0  0
 12  9  1  0  0  0  0
 13  5  1  0  0  0  0
 14  6  1  0  0  0  0
 15  8  1  0  0  0  0
 16 12  1  0  0  0  0
 17 10  2  0  0  0  0
 18 17  1  0  0  0  0
 19 16  2  0  0  0  0
 20 21  1  0  0  0  0
 21 12  2  0  0  0  0
 22 20  2  0  0  0  0
 23 15  1  0  0  0  0
 24 19  1  0  0  0  0
  4  5  2  0  0  0  0
 19 22  1  0  0  0  0
 15 18  2  0  0  0  0
M  END
>  <Mol_ID> (6,392)
6392

>  <Formula> (6,392)
C16H17N7S

>  <MolWeight> (6,392)
339.41808

>  <COMPOUND_NAME> (6,392)
WAY-325065

>  <BAR_CODE_NO> (6,392)
300066

$$$$
WAY-325081
csChFnd80/06171916332D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -3.1708    0.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5958    0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1500    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8208    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5208   -0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3500    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7833    0.8333    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.4333    0.0958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8625    0.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8625    0.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0500    0.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333    1.0208    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.0000    0.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    1.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7125   -0.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0500    0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2625    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3208    0.1958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6458    0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2625    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6458    0.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3125    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7333   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8333    1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333    1.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4958   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1833   -0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  7  1  0  0  0  0
  7  1  1  0  0  0  0
  8  9  1  0  0  0  0
  9 20  1  0  0  0  0
 10 17  1  0  0  0  0
 11  8  1  0  0  0  0
 12 10  1  0  0  0  0
 13  6  1  0  0  0  0
 14  2  2  0  0  0  0
 15  3  2  0  0  0  0
 16 12  1  0  0  0  0
 17 19  2  0  0  0  0
 18  6  2  0  0  0  0
 19 13  1  0  0  0  0
 20 21  2  0  0  0  0
 21 19  1  0  0  0  0
 22  4  1  0  0  0  0
 23  5  1  0  0  0  0
 24  7  1  0  0  0  0
 25 11  1  0  0  0  0
 26 11  1  0  0  0  0
 27 12  1  0  0  0  0
 28 22  2  0  0  0  0
 29 23  2  0  0  0  0
  5  4  2  0  0  0  0
 29 28  1  0  0  0  0
  9 10  2  0  0  0  0
 11 16  1  0  0  0  0
M  END
>  <Mol_ID> (6,393)
6393

>  <Formula> (6,393)
C23H24N2O4

>  <MolWeight> (6,393)
392.44766

>  <COMPOUND_NAME> (6,393)
WAY-325081

>  <BAR_CODE_NO> (6,393)
300082

$$$$
WAY-325089
csChFnd80/06171916332D

 23 25  0  0  0  0  0  0  0  0999 V2000
    2.0552    0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3345    1.2142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2862    0.2625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4862   -0.2479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8345    1.8314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1276    1.3521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2069   -0.5272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9690   -0.8479    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1207    2.5832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4069    2.0970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5069   -0.9168    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8966    2.7211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1793   -0.5065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8793   -0.9030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1655    0.2935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5724   -0.4858    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3138   -0.9030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0034   -0.5065    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3138   -1.7030    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6931   -0.9030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0034   -2.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6931   -1.7030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4138   -0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
  7  8  1  0  0  0  0
 10 12  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (6,394)
6394

>  <Formula> (6,394)
C16H14N4OS2

>  <MolWeight> (6,394)
342.43856

>  <COMPOUND_NAME> (6,394)
WAY-325089

>  <BAR_CODE_NO> (6,394)
300090

$$$$
WAY-325092
csChFnd80/06171916332D

 31 35  0  0  0  0  0  0  0  0999 V2000
   -1.0625    1.1625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4958    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833    1.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9500    0.7125    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.2708    0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4833    1.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1625   -0.0875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9833   -1.0375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167   -2.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8958    1.0333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2625    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4375   -2.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667   -2.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8042   -2.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    0.5208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6500   -2.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -2.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7000   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5125   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4500   -1.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9125   -1.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3875   -1.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333   -0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6208   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0625   -1.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458    2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2333    2.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7125    2.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  5  1  0  0  0  0
  9 24  1  0  0  0  0
 10 18  1  0  0  0  0
 11  2  2  0  0  0  0
 12  3  2  0  0  0  0
 13 23  1  0  0  0  0
 14 10  1  0  0  0  0
 15 13  1  0  0  0  0
 16  5  2  0  0  0  0
 17 14  1  0  0  0  0
 18 21  2  0  0  0  0
 19  8  1  0  0  0  0
 20  8  1  0  0  0  0
 21 22  1  0  0  0  0
 22  9  1  0  0  0  0
 23 26  2  0  0  0  0
 24 20  1  0  0  0  0
 25 19  1  0  0  0  0
 26 21  1  0  0  0  0
 27  4  1  0  0  0  0
 28  6  1  0  0  0  0
 29  7  1  0  0  0  0
 30 29  2  0  0  0  0
 31 28  2  0  0  0  0
  7  6  2  0  0  0  0
 30 31  1  0  0  0  0
  9 25  1  0  0  0  0
 10 13  2  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <Mol_ID> (6,395)
6395

>  <Formula> (6,395)
C23H23N3O5

>  <MolWeight> (6,395)
421.44582

>  <COMPOUND_NAME> (6,395)
WAY-325092

>  <BAR_CODE_NO> (6,395)
300093

$$$$
WAY-325104
csChFnd80/06171916332D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.7333    0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7333    0.7208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833    0.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4458    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833    0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4458    0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3500    0.0208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8000    0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8000    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1500    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167    0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1500    0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542   -0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4958    0.9208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7792    0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792   -0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9208    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1000   -0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6167   -0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0167   -0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  6  2  0  0  0  0
  5  2  2  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8  4  1  0  0  0  0
  9  6  1  0  0  0  0
 10 12  1  0  0  0  0
 11  7  1  0  0  0  0
 12  9  2  0  0  0  0
 13 11  1  0  0  0  0
 14 10  1  0  0  0  0
 15  5  1  0  0  0  0
 16 13  1  0  0  0  0
 17 13  2  0  0  0  0
 18 14  1  0  0  0  0
 19 16  2  0  0  0  0
 20 17  1  0  0  0  0
 21 20  2  0  0  0  0
  5  4  1  0  0  0  0
 10  8  2  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <Mol_ID> (6,396)
6396

>  <Formula> (6,396)
C17H16N2OS

>  <MolWeight> (6,396)
296.38674

>  <COMPOUND_NAME> (6,396)
WAY-325104

>  <BAR_CODE_NO> (6,396)
300105

$$$$
WAY-325138
csChFnd80/06171916332D

 27 29  0  0  0  0  0  0  0  0999 V2000
    3.0750   -1.5250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3292   -0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500   -1.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6625   -0.2542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9917   -0.7375    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2125   -0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0375    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1167   -0.4792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542    0.5833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7625   -2.1917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.8750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7250   -1.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583    0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5833   -1.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9500   -2.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458    0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5500   -1.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833   -0.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5042   -0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1625   -2.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958   -1.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1167   -1.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7583   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1958   -1.6292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5625   -2.6917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3417   -2.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0208   -2.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  2  1  0  0  0  0
  9  7  1  0  0  0  0
 10  3  2  0  0  0  0
 11  7  2  0  0  0  0
 12  8  1  0  0  0  0
 13  9  1  0  0  0  0
 14 21  1  0  0  0  0
 15 22  1  0  0  0  0
 16 13  2  0  0  0  0
 17 12  2  0  0  0  0
 18 13  1  0  0  0  0
 19 12  1  0  0  0  0
 20 17  1  0  0  0  0
 21 18  2  0  0  0  0
 22 19  2  0  0  0  0
 23 16  1  0  0  0  0
 24 14  1  0  0  0  0
 25 15  1  0  0  0  0
 26 25  1  0  0  0  0
 27 24  1  0  0  0  0
  5  4  1  0  0  0  0
 15 20  2  0  0  0  0
 14 23  2  0  0  0  0
M  END
>  <Mol_ID> (6,397)
6397

>  <Formula> (6,397)
C19H19N3O4S

>  <MolWeight> (6,397)
385.43686

>  <COMPOUND_NAME> (6,397)
WAY-325138

>  <BAR_CODE_NO> (6,397)
300139

$$$$
WAY-325148-A
csChFnd80/06171916332D

 21 23  0  0  0  0  0  0  0  0999 V2000
    5.6792   -4.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9667   -2.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6792   -3.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2542   -3.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9667   -4.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2542   -4.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9667   -2.0292    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.5417   -2.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4000   -4.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5417   -4.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8250   -3.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8250   -4.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6792   -1.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1125   -4.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4000   -5.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1042   -2.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6792   -0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3917   -0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8292   -4.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1125   -5.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8292   -5.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  2  0  0  0  0
  4  6  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7  2  2  0  0  0  0
  8  4  2  0  0  0  0
  9  1  1  0  0  0  0
 10  6  2  0  0  0  0
 11 12  2  0  0  0  0
 12 10  1  0  0  0  0
 13  7  1  0  0  0  0
 14  9  1  0  0  0  0
 15  9  2  0  0  0  0
 16 11  1  0  0  0  0
 17 13  1  0  0  0  0
 18 17  1  0  0  0  0
 19 14  2  0  0  0  0
 20 15  1  0  0  0  0
 21 20  2  0  0  0  0
  2  4  1  0  0  0  0
 19 21  1  0  0  0  0
 11  8  1  0  0  0  0
M  END
>  <Mol_ID> (6,398)
6398

>  <Formula> (6,398)
C19H20NO+

>  <MolWeight> (6,398)
278.3682

>  <COMPOUND_NAME> (6,398)
WAY-325148-A

>  <BAR_CODE_NO> (6,398)
300149

$$$$
WAY-325163
csChFnd80/06171916332D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -0.6958   -1.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708   -2.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5375   -0.5792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9542   -1.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542   -2.0167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958   -0.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8208   -2.6500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5833   -2.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9417    0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667    0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917   -0.5542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0167   -0.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4375   -1.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208    0.1125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1667    0.8708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2542   -1.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4125    0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6625   -0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1750   -1.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2292    0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4875   -0.5042    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.3250   -2.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0292   -1.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9208   -1.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9958   -2.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  6  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  1  1  0  0  0  0
  9  8  2  0  0  0  0
 10  3  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15  6  2  0  0  0  0
 16 11  2  0  0  0  0
 17 14  1  0  0  0  0
 18 13  1  0  0  0  0
 19 21  1  0  0  0  0
 20  8  1  0  0  0  0
 21 18  2  0  0  0  0
 22 19  1  0  0  0  0
 23  9  1  0  0  0  0
 24 14  1  0  0  0  0
 25 20  1  0  0  0  0
 26 25  1  0  0  0  0
  7  9  1  0  0  0  0
  4  5  2  0  0  0  0
 23 26  1  0  0  0  0
 17 19  2  0  0  0  0
M  END
>  <Mol_ID> (6,399)
6399

>  <Formula> (6,399)
C18H17ClN4O2S

>  <MolWeight> (6,399)
388.87118

>  <COMPOUND_NAME> (6,399)
WAY-325163

>  <BAR_CODE_NO> (6,399)
300164

$$$$
WAY-325185
csChFnd80/06171916332D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -2.5208  -19.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5208  -19.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2333  -18.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9375  -19.8417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9375  -19.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2333  -20.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333  -18.7542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333  -20.0917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2500  -19.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4708  -20.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6583  -18.6042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2333  -21.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000  -22.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2333  -17.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6583  -20.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708  -21.0500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.9500  -21.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4083  -21.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542  -21.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3042  -20.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208  -20.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375  -19.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6917  -20.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0500  -20.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1125  -21.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  7  2  0  0  0  0
 10  8  1  0  0  0  0
 11  5  2  0  0  0  0
 12  6  2  0  0  0  0
 13 18  1  0  0  0  0
 14  3  1  0  0  0  0
 15  4  1  0  0  0  0
 16 10  1  0  0  0  0
 17 13  1  0  0  0  0
 18 16  1  0  0  0  0
 19 17  2  0  0  0  0
 20 19  1  0  0  0  0
 21 16  1  0  0  0  0
 22 23  2  0  0  0  0
 23 17  1  0  0  0  0
 24 22  1  0  0  0  0
 25 20  1  0  0  0  0
  9  8  1  0  0  0  0
  4  6  1  0  0  0  0
 24 20  2  0  0  0  0
M  END
>  <Mol_ID> (6,400)
6400

>  <Formula> (6,400)
C17H21N5O3

>  <MolWeight> (6,400)
343.38034

>  <COMPOUND_NAME> (6,400)
WAY-325185

>  <BAR_CODE_NO> (6,400)
300186

$$$$
WAY-325267
csChFnd80/06171916332D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -4.8750    6.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8750    4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2625    3.2333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2625    6.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4667    6.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7125    4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0917    6.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7125    6.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7042    6.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4667    3.2333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1542    4.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2542    6.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7042    8.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8625    8.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8625    6.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2542    9.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.4417    9.6292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1000    3.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1000    6.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0000    8.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5042    6.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5042    4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  2  0  0  0  0
  5  1  1  0  0  0  0
  6  8  1  0  0  0  0
  7  5  1  0  0  0  0
  8  4  1  0  0  0  0
  9  7  1  0  0  0  0
 10  2  2  0  0  0  0
 11  7  2  0  0  0  0
 12  9  2  0  0  0  0
 13  9  1  0  0  0  0
 14 16  1  0  0  0  0
 15 12  1  0  0  0  0
 16 13  2  0  0  0  0
 17 14  1  0  0  0  0
 18  6  2  0  0  0  0
 19  8  2  0  0  0  0
 20 17  1  0  0  0  0
 21 19  1  0  0  0  0
 22 21  2  0  0  0  0
  3  6  1  0  0  0  0
 14 15  2  0  0  0  0
 18 22  1  0  0  0  0
M  END
>  <Mol_ID> (6,401)
6401

>  <Formula> (6,401)
C18H14O4

>  <MolWeight> (6,401)
294.30136

>  <COMPOUND_NAME> (6,401)
WAY-325267

>  <BAR_CODE_NO> (6,401)
300268

$$$$
WAY-325282
csChFnd80/06171916332D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -4.3750    1.9375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8958    3.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3625    2.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8000    5.4667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5875    4.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1542    3.5500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5500    1.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2500    1.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6125    3.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2875    1.7250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4750    5.4667    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  -12.6125   -0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.9125    3.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.9125   -0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0000    1.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  8  1  0  0  0  0
  8  6  1  0  0  0  0
  9  7  2  0  0  0  0
 10  3  1  0  0  0  0
 11  9  1  0  0  0  0
 12  7  1  0  0  0  0
 13  9  1  0  0  0  0
 14 12  2  0  0  0  0
 15 14  1  0  0  0  0
  4  5  1  0  0  0  0
 13 15  2  0  0  0  0
M  END
>  <Mol_ID> (6,402)
6402

>  <Formula> (6,402)
C9H9ClN4S

>  <MolWeight> (6,402)
240.71256

>  <COMPOUND_NAME> (6,402)
WAY-325282

>  <BAR_CODE_NO> (6,402)
300283

$$$$
WAY-325292
csChFnd80/06171916332D

 12 13  0  0  0  0  0  0  0  0999 V2000
    5.5003    6.2381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5003    5.4127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9250    5.4127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5373    6.7818    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2098    7.5363    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3911    7.4579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2126    6.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9210    6.2371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8004    8.0474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2131    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0130    8.8478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    7.8348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  7  1  0  0  0  0
  3  8  1  0  0  0  0
  7  8  2  0  0  0  0
  5  6  2  0  0  0  0
  4  5  1  0  0  0  0
  6  7  1  0  0  0  0
  8  4  1  0  0  0  0
  6  9  1  0  0  0  0
  2 10  1  0  0  0  0
  3 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <Mol_ID> (6,403)
6403

>  <Formula> (6,403)
C10H16N2

>  <MolWeight> (6,403)
164.24744

>  <COMPOUND_NAME> (6,403)
WAY-325292

>  <BAR_CODE_NO> (6,403)
300293

$$$$
WAY-325319
csChFnd80/06171916332D

 28 31  0  0  0  0  0  0  0  0999 V2000
    7.6042    0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4000    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4417    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9125    1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7792   -0.2875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.9375   -1.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8042  -10.0792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4875   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3667   -3.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6250  -10.5417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1750   -6.2417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4875    3.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9167  -12.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4000   -6.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4292  -13.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2875   -2.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4000  -12.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1625    5.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0875   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7125   -8.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1000    2.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7125   -4.9625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5417    2.4625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5125    5.7750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8917  -15.8417    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   12.3375    5.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8125    4.1667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   16.0000    4.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7 20  1  0  0  0  0
  8  9  1  0  0  0  0
  9  6  1  0  0  0  0
 10  7  1  0  0  0  0
 11  8  1  0  0  0  0
 12  2  1  0  0  0  0
 13  7  1  0  0  0  0
 14 11  1  0  0  0  0
 15 13  2  0  0  0  0
 16  8  2  0  0  0  0
 17 10  2  0  0  0  0
 18  3  1  0  0  0  0
 19 16  1  0  0  0  0
 20 14  1  0  0  0  0
 21  4  1  0  0  0  0
 22  9  2  0  0  0  0
 23 12  2  0  0  0  0
 24 12  1  0  0  0  0
 25 15  1  0  0  0  0
 26 18  1  0  0  0  0
 27 21  1  0  0  0  0
 28 27  1  0  0  0  0
  4  3  2  0  0  0  0
 27 26  1  0  0  0  0
 14 19  2  0  0  0  0
 17 15  1  0  0  0  0
M  END
>  <Mol_ID> (6,404)
6404

>  <Formula> (6,404)
C19H19BrN4O3S

>  <MolWeight> (6,404)
463.34816

>  <COMPOUND_NAME> (6,404)
WAY-325319

>  <BAR_CODE_NO> (6,404)
300320

$$$$
WAY-325331
csChFnd80/06171916332D

 20 22  0  0  0  0  0  0  0  0999 V2000
   10.6792  -10.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9875   -8.9250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2000  -12.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7792   -9.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8625   -7.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8625   -7.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5625    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5542    2.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0000   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1667  -13.1167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0042    0.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4542   -1.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9000   -3.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3792   -5.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6917  -14.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4750   -1.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4500    3.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7875    5.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6625    4.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1875  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  2  0  0  0  0
 10  3  2  0  0  0  0
 11 16  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14  5  1  0  0  0  0
 15  3  1  0  0  0  0
 16 12  1  0  0  0  0
 17  7  1  0  0  0  0
 18 17  1  0  0  0  0
 19  8  1  0  0  0  0
 20 15  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  2  0  0  0  0
 19 18  1  0  0  0  0
M  END
>  <Mol_ID> (6,405)
6405

>  <Formula> (6,405)
C16H16O4

>  <MolWeight> (6,405)
272.29584

>  <COMPOUND_NAME> (6,405)
WAY-325331

>  <BAR_CODE_NO> (6,405)
300332

$$$$
WAY-325354
csChFnd80/06171916332D

 25 27  0  0  0  0  0  0  0  0999 V2000
   10.2625  -10.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3125  -11.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3750   -7.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4000  -11.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2125  -10.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6000   -7.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8667   -9.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4500  -13.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5375   -3.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1292   -1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3625   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1875   -5.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0542   -8.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -2.2125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5042    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9792    1.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4000   -4.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2250   -7.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0875   -7.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1000    2.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3625    3.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4292   -5.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8375   -5.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4375   -3.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9625   -3.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8  2  2  0  0  0  0
  9 12  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12  6  1  0  0  0  0
 13  5  1  0  0  0  0
 14 11  1  0  0  0  0
 15 10  2  0  0  0  0
 16 11  2  0  0  0  0
 17 14  1  0  0  0  0
 18 13  1  0  0  0  0
 19 13  1  0  0  0  0
 20 15  1  0  0  0  0
 21 20  2  0  0  0  0
 22 19  1  0  0  0  0
 23 18  1  0  0  0  0
 24 23  1  0  0  0  0
 25 22  1  0  0  0  0
  7  6  2  0  0  0  0
 24 25  1  0  0  0  0
 16 21  1  0  0  0  0
M  END
>  <Mol_ID> (6,406)
6406

>  <Formula> (6,406)
C20H25NO4

>  <MolWeight> (6,406)
343.4168

>  <COMPOUND_NAME> (6,406)
WAY-325354

>  <BAR_CODE_NO> (6,406)
300355

$$$$
WAY-325360
csChFnd80/06171916332D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -1.9160    0.6877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3298   -0.2778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0264    0.6567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3919    1.6636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2367   -0.2778    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8712   -1.2261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5677   -0.3330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6091    1.6360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9884    2.6429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3323   -1.2261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9815   -1.2674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0988    2.6257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4116   -1.2261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667   -0.3330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0805   -2.1295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1323   -0.6261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1633   -1.7502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0116    0.0429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0012   -0.4226    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8185    1.1395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
  7 11  2  0  0  0  0
  9 12  2  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (6,407)
6407

>  <Formula> (6,407)
C16H12O4

>  <MolWeight> (6,407)
268.26408

>  <COMPOUND_NAME> (6,407)
WAY-325360

>  <BAR_CODE_NO> (6,407)
300361

$$$$
WAY-325371
csChFnd80/06171916332D

 28 30  0  0  0  0  0  0  0  0999 V2000
    8.8375   -7.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3750   -9.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2375   -6.0917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7625  -11.4667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8250   -7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0292   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6625  -10.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9292   -4.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3542    7.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7625    5.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4417  -10.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0750  -12.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3000    4.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6250    5.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0375   -0.6250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5875   -2.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6000    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7042    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0625    3.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5875  -14.4875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1500   -8.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2375    8.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9542    9.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4750    7.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9750  -11.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0500   -8.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4625   -9.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  2  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8  5  1  0  0  0  0
  9 10  1  0  0  0  0
 10 14  2  0  0  0  0
 11  2  2  0  0  0  0
 12  7  2  0  0  0  0
 13 18  2  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 16  6  1  0  0  0  0
 17 15  1  0  0  0  0
 18 17  1  0  0  0  0
 19 17  2  0  0  0  0
 20 12  1  0  0  0  0
 21  7  1  0  0  0  0
 22  9  1  0  0  0  0
 23  9  1  0  0  0  0
 24  9  1  0  0  0  0
 25 12  1  0  0  0  0
 26 20  1  0  0  0  0
 27 21  2  0  0  0  0
 28 27  1  0  0  0  0
  6  8  2  0  0  0  0
 28 25  2  0  0  0  0
 13 10  1  0  0  0  0
M  END
>  <Mol_ID> (6,408)
6408

>  <Formula> (6,408)
C23H25NO4

>  <MolWeight> (6,408)
379.4489

>  <COMPOUND_NAME> (6,408)
WAY-325371

>  <BAR_CODE_NO> (6,408)
300372

$$$$
WAY-325387
csChFnd80/06171916332D

 24 26  0  0  0  0  0  0  0  0999 V2000
    9.9292   -7.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9167   -8.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7417   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8917  -10.5667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0000   -6.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2792   -4.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5875    0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6000   -5.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8875    1.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6000   -1.1125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2750    1.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8875   -8.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2750    3.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8917    3.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2875   -2.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9917    0.8375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.5917    4.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1792    4.7667    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.5500  -12.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2250  -10.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7625  -12.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1792  -14.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7625  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3042  -14.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  2  0  0  0  0
  6  3  1  0  0  0  0
  7 10  1  0  0  0  0
  8  5  1  0  0  0  0
  9  7  2  0  0  0  0
 10 15  1  0  0  0  0
 11  7  1  0  0  0  0
 12  2  2  0  0  0  0
 13 11  2  0  0  0  0
 14  9  1  0  0  0  0
 15  6  1  0  0  0  0
 16 11  1  0  0  0  0
 17 13  1  0  0  0  0
 18 14  1  0  0  0  0
 19  4  1  0  0  0  0
 20  4  1  0  0  0  0
 21 20  1  0  0  0  0
 22 19  1  0  0  0  0
 23 22  1  0  0  0  0
 24 21  1  0  0  0  0
  6  8  2  0  0  0  0
 24 23  1  0  0  0  0
 17 14  2  0  0  0  0
M  END
>  <Mol_ID> (6,409)
6409

>  <Formula> (6,409)
C18H19Cl2NO3

>  <MolWeight> (6,409)
368.25436

>  <COMPOUND_NAME> (6,409)
WAY-325387

>  <BAR_CODE_NO> (6,409)
300388

$$$$
WAY-325398
csChFnd80/06171916332D

 25 27  0  0  0  0  0  0  0  0999 V2000
    5.6625   -4.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9625   -3.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2000   -5.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5917   -1.9167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0750   -3.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9750   -5.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9125   -0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5250   -4.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6500   -4.8292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6542   -7.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5542   -8.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5417    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3375   -8.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8750   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8542    1.5500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   14.2250   -7.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6000   -1.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6750  -10.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8625    2.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2167  -10.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9125   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3375  -12.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5625  -12.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5500    1.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  2  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8  5  1  0  0  0  0
  9  2  2  0  0  0  0
 10 14  1  0  0  0  0
 11 10  1  0  0  0  0
 12  7  2  0  0  0  0
 13 11  2  0  0  0  0
 14  6  1  0  0  0  0
 15 12  1  0  0  0  0
 16 13  1  0  0  0  0
 17  7  1  0  0  0  0
 18 11  1  0  0  0  0
 19 12  1  0  0  0  0
 20 13  1  0  0  0  0
 21 16  1  0  0  0  0
 22 17  2  0  0  0  0
 23 24  1  0  0  0  0
 24 18  2  0  0  0  0
 25 22  1  0  0  0  0
  6  8  2  0  0  0  0
 25 19  2  0  0  0  0
 23 20  2  0  0  0  0
M  END
>  <Mol_ID> (6,410)
6410

>  <Formula> (6,410)
C19H16ClNO4

>  <MolWeight> (6,410)
357.78764

>  <COMPOUND_NAME> (6,410)
WAY-325398

>  <BAR_CODE_NO> (6,410)
300399

$$$$
WAY-325401
csChFnd80/06171916332D

 26 28  0  0  0  0  0  0  0  0999 V2000
    8.5625   -4.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0417   -5.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9375   -5.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5625   -2.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0500   -7.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9250   -3.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9375   -2.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0292  -10.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5375   -8.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5167   -4.6667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5500   -9.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3792   -2.2875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5125   -9.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2500   -0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4125    0.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5000   -8.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2167   -3.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0125   -7.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7000    0.6958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0375  -12.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -10.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9625   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2750    2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542    2.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8292    0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9875    2.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8 11  1  0  0  0  0
  9  5  1  0  0  0  0
 10  2  2  0  0  0  0
 11  9  2  0  0  0  0
 12 17  1  0  0  0  0
 13 16  1  0  0  0  0
 14 12  1  0  0  0  0
 15 14  2  0  0  0  0
 16 18  2  0  0  0  0
 17  6  1  0  0  0  0
 18  9  1  0  0  0  0
 19 15  1  0  0  0  0
 20  8  1  0  0  0  0
 21 13  1  0  0  0  0
 22 14  1  0  0  0  0
 23 15  1  0  0  0  0
 24 19  1  0  0  0  0
 25 22  2  0  0  0  0
 26 25  1  0  0  0  0
  6  7  2  0  0  0  0
  8 13  2  0  0  0  0
 26 23  2  0  0  0  0
M  END
>  <Mol_ID> (6,411)
6411

>  <Formula> (6,411)
C21H21NO4

>  <MolWeight> (6,411)
351.39574

>  <COMPOUND_NAME> (6,411)
WAY-325401

>  <BAR_CODE_NO> (6,411)
300402

$$$$
WAY-325405
csChFnd80/06171916332D

 26 28  0  0  0  0  0  0  0  0999 V2000
    9.0000   -4.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7500   -5.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0875   -4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7542   -7.3250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0000   -2.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9042   -3.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5000   -8.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0875   -1.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4750   -4.2917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9125   -1.4875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9375    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5125  -10.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9500    1.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9000   -3.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7667  -11.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9375    2.0208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2375   -7.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9500    0.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2625  -11.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9667    3.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583    3.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0250  -10.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9875   -8.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9667    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -10.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9792    3.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  2  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8  5  1  0  0  0  0
  9  2  2  0  0  0  0
 10 14  1  0  0  0  0
 11 10  1  0  0  0  0
 12  7  2  0  0  0  0
 13 11  2  0  0  0  0
 14  6  1  0  0  0  0
 15 12  1  0  0  0  0
 16 13  1  0  0  0  0
 17  7  1  0  0  0  0
 18 11  1  0  0  0  0
 19 12  1  0  0  0  0
 20 13  1  0  0  0  0
 21 16  1  0  0  0  0
 22 15  1  0  0  0  0
 23 17  2  0  0  0  0
 24 18  2  0  0  0  0
 25 23  1  0  0  0  0
 26 24  1  0  0  0  0
  6  8  2  0  0  0  0
 19 25  2  0  0  0  0
 26 20  2  0  0  0  0
M  END
>  <Mol_ID> (6,412)
6412

>  <Formula> (6,412)
C20H19NO5

>  <MolWeight> (6,412)
353.36856

>  <COMPOUND_NAME> (6,412)
WAY-325405

>  <BAR_CODE_NO> (6,412)
300406

$$$$
WAY-325412
csChFnd80/06171916332D

 24 26  0  0  0  0  0  0  0  0999 V2000
    5.5875   -0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5250   -2.6875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2375    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7750   -0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6375   -3.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0375   -0.4625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5500   -1.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5875   -6.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0667    2.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1000   -8.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8625    0.0833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4792   -9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4417   -0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1792   -5.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6625    0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4000   -9.3167    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   14.0750    0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -1.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2125   -8.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9792  -11.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6000   -2.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3792   -3.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0875  -12.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6875  -10.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8 14  1  0  0  0  0
  9  3  2  0  0  0  0
 10  8  1  0  0  0  0
 11 17  2  0  0  0  0
 12 10  2  0  0  0  0
 13 15  1  0  0  0  0
 14  5  1  0  0  0  0
 15  6  1  0  0  0  0
 16 12  1  0  0  0  0
 17 13  1  0  0  0  0
 18 22  2  0  0  0  0
 19 10  1  0  0  0  0
 20 12  1  0  0  0  0
 21 13  2  0  0  0  0
 22 21  1  0  0  0  0
 23 24  1  0  0  0  0
 24 19  2  0  0  0  0
  7  5  2  0  0  0  0
 18 11  1  0  0  0  0
 20 23  2  0  0  0  0
M  END
>  <Mol_ID> (6,413)
6413

>  <Formula> (6,413)
C18H15ClN2O3

>  <MolWeight> (6,413)
342.7763

>  <COMPOUND_NAME> (6,413)
WAY-325412

>  <BAR_CODE_NO> (6,413)
300413

$$$$
WAY-325415
csChFnd80/06171916332D

 24 26  0  0  0  0  0  0  0  0999 V2000
   10.7667   -2.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5042   -2.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5792   -3.7417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5125   -1.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0292   -4.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9750   -2.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3250   -2.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8792   -7.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3000   -3.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9875   -3.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9917   -2.7875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0250   -0.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1417   -0.7667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4667   -5.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3500   -4.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3625   -2.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -5.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1167   -6.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3375   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3542    0.6833    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0417   -0.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7000   -3.8542    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   15.5167   -8.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  2  0  0  0  0
  6  4  1  0  0  0  0
  7 11  1  0  0  0  0
  8 18  1  0  0  0  0
  9  5  1  0  0  0  0
 10  7  2  0  0  0  0
 11 20  1  0  0  0  0
 12  7  1  0  0  0  0
 13  2  2  0  0  0  0
 14  3  1  0  0  0  0
 15  3  1  0  0  0  0
 16 12  2  0  0  0  0
 17 10  1  0  0  0  0
 18 15  1  0  0  0  0
 19 14  1  0  0  0  0
 20  6  1  0  0  0  0
 21 12  1  0  0  0  0
 22 16  1  0  0  0  0
 23 17  1  0  0  0  0
 24  8  1  0  0  0  0
  6  9  2  0  0  0  0
 19  8  1  0  0  0  0
 22 17  2  0  0  0  0
M  END
>  <Mol_ID> (6,414)
6414

>  <Formula> (6,414)
C17H18Cl2N2O3

>  <MolWeight> (6,414)
369.24242

>  <COMPOUND_NAME> (6,414)
WAY-325415

>  <BAR_CODE_NO> (6,414)
300416

$$$$
WAY-325416
csChFnd80/06171916332D

 25 27  0  0  0  0  0  0  0  0999 V2000
    8.2167   -3.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9000   -3.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9917   -2.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4917   -5.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9542   -4.9750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5000   -3.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8042   -5.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5167   -2.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2125   -2.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3625   -5.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083   -3.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8958   -1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6000   -4.0375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9125   -2.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6375   -4.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9750   -3.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8250   -1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208   -4.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6875   -1.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6750   -6.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -4.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1750   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1083   -2.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2500   -3.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9375   -2.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8  2  2  0  0  0  0
  9 12  1  0  0  0  0
 10 20  2  0  0  0  0
 11 18  1  0  0  0  0
 12 19  2  0  0  0  0
 13 14  1  0  0  0  0
 14  6  1  0  0  0  0
 15  5  1  0  0  0  0
 16 13  1  0  0  0  0
 17  9  1  0  0  0  0
 18 16  2  0  0  0  0
 19 16  1  0  0  0  0
 20 15  1  0  0  0  0
 21 25  2  0  0  0  0
 22 17  1  0  0  0  0
 23 17  1  0  0  0  0
 24 15  2  0  0  0  0
 25 24  1  0  0  0  0
  6  7  2  0  0  0  0
 10 21  1  0  0  0  0
  9 11  2  0  0  0  0
M  END
>  <Mol_ID> (6,415)
6415

>  <Formula> (6,415)
C20H20N2O3

>  <MolWeight> (6,415)
336.3844

>  <COMPOUND_NAME> (6,415)
WAY-325416

>  <BAR_CODE_NO> (6,415)
300417

$$$$
WAY-325417
csChFnd80/06171916332D

 26 28  0  0  0  0  0  0  0  0999 V2000
    9.1500   -4.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6250   -4.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0667   -3.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5125   -5.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5542   -5.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7500   -4.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0250   -5.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4625   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0375   -2.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1750   -2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4375   -6.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1250   -2.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375   -4.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000   -4.5250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3500   -3.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0375   -5.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7750   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6250   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042   -2.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9542   -6.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9875   -1.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9500   -3.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8958   -2.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -4.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5792   -3.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0625   -3.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8  9  1  0  0  0  0
  9 12  1  0  0  0  0
 10  2  2  0  0  0  0
 11 20  2  0  0  0  0
 12 19  2  0  0  0  0
 13 18  1  0  0  0  0
 14 15  1  0  0  0  0
 15  6  1  0  0  0  0
 16  5  1  0  0  0  0
 17 14  1  0  0  0  0
 18 17  2  0  0  0  0
 19 17  1  0  0  0  0
 20 16  1  0  0  0  0
 21  8  1  0  0  0  0
 22  8  1  0  0  0  0
 23  8  1  0  0  0  0
 24 26  2  0  0  0  0
 25 16  2  0  0  0  0
 26 25  1  0  0  0  0
  6  7  2  0  0  0  0
 11 24  1  0  0  0  0
  9 13  2  0  0  0  0
M  END
>  <Mol_ID> (6,416)
6416

>  <Formula> (6,416)
C21H22N2O3

>  <MolWeight> (6,416)
350.41098

>  <COMPOUND_NAME> (6,416)
WAY-325417

>  <BAR_CODE_NO> (6,416)
300418

$$$$
WAY-325431
csChFnd80/06171916332D

 25 27  0  0  0  0  0  0  0  0999 V2000
    3.7000   -7.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8292   -6.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3792   -6.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5417   -4.5250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1625   -9.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9167   -7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1125   -3.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1750   -9.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2500   -7.7542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8167   -1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0292   -4.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4375   -4.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2625   -1.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1375   -4.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5667   -5.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3792   -2.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8000   -2.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8000   -6.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9625   -0.5875    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.9625   -4.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3750   -0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6000    0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5250   -2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2417   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  2  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8  5  1  0  0  0  0
  9  2  2  0  0  0  0
 10  7  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
 14 18  1  0  0  0  0
 15 11  2  0  0  0  0
 16 11  1  0  0  0  0
 17 13  1  0  0  0  0
 18  6  1  0  0  0  0
 19 10  1  0  0  0  0
 20  7  2  0  0  0  0
 21 10  2  0  0  0  0
 22 13  1  0  0  0  0
 23 12  1  0  0  0  0
 24 20  1  0  0  0  0
 25 24  2  0  0  0  0
  6  8  2  0  0  0  0
 21 25  1  0  0  0  0
 12 17  2  0  0  0  0
M  END
>  <Mol_ID> (6,417)
6417

>  <Formula> (6,417)
C20H18FNO3

>  <MolWeight> (6,417)
339.3602232

>  <COMPOUND_NAME> (6,417)
WAY-325431

>  <BAR_CODE_NO> (6,417)
300432

$$$$
WAY-325434
csChFnd80/06171916332D

 28 30  0  0  0  0  0  0  0  0999 V2000
   13.1042   -6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3917   -7.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1250  -11.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0625   -9.0875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4417   -6.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4500   -9.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4042  -12.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2625   -4.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5792   -5.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7375   -3.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7792   -5.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.8667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9292   -6.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0125  -11.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4875   -5.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7792   -8.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3375   -6.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0375   -6.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8792   -5.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0792  -14.0667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4875   -8.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5167  -11.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1875   -8.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9292   -3.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2292   -6.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4750  -14.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2375  -10.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5750   -9.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  6  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  3  1  0  0  0  0
  8  1  2  0  0  0  0
  9  5  1  0  0  0  0
 10  8  1  0  0  0  0
 11 15  2  0  0  0  0
 12  2  2  0  0  0  0
 13 16  2  0  0  0  0
 14  7  2  0  0  0  0
 15 17  1  0  0  0  0
 16 21  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19  9  1  0  0  0  0
 20  7  1  0  0  0  0
 21 17  2  0  0  0  0
 22  3  2  0  0  0  0
 23  6  2  0  0  0  0
 24 11  1  0  0  0  0
 25 13  1  0  0  0  0
 26 20  1  0  0  0  0
 27 28  2  0  0  0  0
 28 23  1  0  0  0  0
 10  9  2  0  0  0  0
 22 27  1  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <Mol_ID> (6,418)
6418

>  <Formula> (6,418)
C22H21NO5

>  <MolWeight> (6,418)
379.40584

>  <COMPOUND_NAME> (6,418)
WAY-325434

>  <BAR_CODE_NO> (6,418)
300435

$$$$
WAY-325438
csChFnd80/06171916332D

 24 26  0  0  0  0  0  0  0  0999 V2000
    9.0000   -3.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3875   -2.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5417   -2.9042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7917   -3.5125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8375   -5.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4500   -4.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1875   -2.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2542   -5.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3625   -1.1125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6000   -3.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0250   -5.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8250   -4.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4125   -5.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -5.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6125   -5.0875    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4375   -5.5042    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.6000   -4.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000   -6.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208   -6.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208   -4.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1625   -1.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -2.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5500   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9667   -1.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  2  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8  5  1  0  0  0  0
  9  2  2  0  0  0  0
 10  7  2  0  0  0  0
 11 12  1  0  0  0  0
 12  6  1  0  0  0  0
 13 11  1  0  0  0  0
 14 19  2  0  0  0  0
 15 10  1  0  0  0  0
 16 14  1  0  0  0  0
 17 13  1  0  0  0  0
 18 13  2  0  0  0  0
 19 18  1  0  0  0  0
 20 17  2  0  0  0  0
 21  7  1  0  0  0  0
 22 10  1  0  0  0  0
 23 21  2  0  0  0  0
 24 23  1  0  0  0  0
  6  8  2  0  0  0  0
 22 24  2  0  0  0  0
 20 14  1  0  0  0  0
M  END
>  <Mol_ID> (6,419)
6419

>  <Formula> (6,419)
C18H13ClFNO3

>  <MolWeight> (6,419)
345.7521232

>  <COMPOUND_NAME> (6,419)
WAY-325438

>  <BAR_CODE_NO> (6,419)
300439

$$$$
WAY-325439
csChFnd80/06171916332D

 27 29  0  0  0  0  0  0  0  0999 V2000
    8.9667   -3.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3625   -2.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5500   -3.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7542   -3.5042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5250   -2.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1500   -2.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5750   -5.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8125   -5.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4250   -4.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2375   -5.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3292   -1.1125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1875   -5.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0125   -5.4875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8125   -4.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -5.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9750   -5.8625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -5.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4333   -5.4875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   15.9500   -2.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000   -6.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000   -4.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208   -4.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208   -6.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1250   -1.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9250   -1.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5125   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  6  2  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  3  1  0  0  0  0
  8  1  2  0  0  0  0
  9  5  1  0  0  0  0
 10  8  1  0  0  0  0
 11  2  2  0  0  0  0
 12  7  2  0  0  0  0
 13 14  1  0  0  0  0
 14  9  1  0  0  0  0
 15 13  1  0  0  0  0
 16  7  1  0  0  0  0
 17 22  1  0  0  0  0
 18 17  1  0  0  0  0
 19  3  1  0  0  0  0
 20 15  2  0  0  0  0
 21 15  1  0  0  0  0
 22 21  2  0  0  0  0
 23 20  1  0  0  0  0
 24  6  1  0  0  0  0
 25 16  1  0  0  0  0
 26 27  1  0  0  0  0
 27 24  2  0  0  0  0
  9 10  2  0  0  0  0
 19 26  2  0  0  0  0
 23 17  2  0  0  0  0
M  END
>  <Mol_ID> (6,420)
6420

>  <Formula> (6,420)
C20H16ClNO5

>  <MolWeight> (6,420)
385.79774

>  <COMPOUND_NAME> (6,420)
WAY-325439

>  <BAR_CODE_NO> (6,420)
300440

$$$$
WAY-325440
csChFnd80/06171916332D

 25 27  0  0  0  0  0  0  0  0999 V2000
    2.2750   -6.0875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3417   -6.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9917   -7.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -9.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1375   -8.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7375   -2.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6500   -2.4500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4750   -4.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5250   -3.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8667   -0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0292   -0.3417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6042   -3.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000  -11.0625    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.4000   -4.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7792   -1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8667   -8.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4917   -3.0292    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9458   -8.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2250   -5.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0125   -6.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1667    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0917   -6.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000    0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3750    2.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2875    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  2  2  0  0  0  0
  6  9  1  0  0  0  0
  7  6  1  0  0  0  0
  8  1  1  0  0  0  0
  9 12  2  0  0  0  0
 10  7  1  0  0  0  0
 11  6  2  0  0  0  0
 12 14  1  0  0  0  0
 13  4  1  0  0  0  0
 14  8  1  0  0  0  0
 15 10  1  0  0  0  0
 16  3  1  0  0  0  0
 17 15  1  0  0  0  0
 18  5  1  0  0  0  0
 19 20  2  0  0  0  0
 20 22  1  0  0  0  0
 21 10  2  0  0  0  0
 22 14  2  0  0  0  0
 23 15  2  0  0  0  0
 24 21  1  0  0  0  0
 25 24  2  0  0  0  0
  5  4  1  0  0  0  0
 19  9  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (6,421)
6421

>  <Formula> (6,421)
C19H17ClFN3O

>  <MolWeight> (6,421)
357.8091832

>  <COMPOUND_NAME> (6,421)
WAY-325440

>  <BAR_CODE_NO> (6,421)
300441

$$$$
WAY-325444
csChFnd80/06171916332D

 23 25  0  0  0  0  0  0  0  0999 V2000
   11.0417   -6.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1875   -5.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8625   -5.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3250   -6.2750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9125   -7.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9625   -6.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6250   -7.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1625   -4.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9875   -7.8917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6625   -7.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   -6.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6375   -6.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6625   -5.6167    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   13.1875   -7.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2750   -5.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   -9.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750   -6.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5500   -5.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9000   -8.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0250   -7.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750   -9.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2292   -8.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  2  0  0  0  0
  6  3  1  0  0  0  0
  7  5  1  0  0  0  0
  8  2  2  0  0  0  0
  9 12  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12  6  1  0  0  0  0
 13 11  1  0  0  0  0
 14  4  1  0  0  0  0
 15  4  1  0  0  0  0
 16 10  2  0  0  0  0
 17 11  2  0  0  0  0
 18 15  1  0  0  0  0
 19 14  1  0  0  0  0
 20 21  2  0  0  0  0
 21 16  1  0  0  0  0
 22 19  1  0  0  0  0
 23 18  1  0  0  0  0
  6  7  2  0  0  0  0
 22 23  1  0  0  0  0
 17 20  1  0  0  0  0
M  END
>  <Mol_ID> (6,422)
6422

>  <Formula> (6,422)
C18H20ClNO3

>  <MolWeight> (6,422)
333.8093

>  <COMPOUND_NAME> (6,422)
WAY-325444

>  <BAR_CODE_NO> (6,422)
300445

$$$$
WAY-325448
csChFnd80/06171916332D

 24 26  0  0  0  0  0  0  0  0999 V2000
   11.7250   -5.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9417   -5.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7375   -5.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8125   -6.4417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2750   -7.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7000   -5.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5125   -6.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0375   -6.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3167   -6.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4000   -6.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2792   -4.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6167   -6.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0750   -4.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9917   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5042   -5.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8375   -8.1250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8625   -4.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7792   -5.0042    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   13.3167   -7.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8750   -6.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9375   -6.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7375   -8.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9792   -8.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  2  0  0  0  0
  6  3  1  0  0  0  0
  7 10  2  0  0  0  0
  8  5  1  0  0  0  0
  9  7  1  0  0  0  0
 10 12  1  0  0  0  0
 11  2  2  0  0  0  0
 12 15  1  0  0  0  0
 13 10  1  0  0  0  0
 14 17  1  0  0  0  0
 15  6  1  0  0  0  0
 16  7  1  0  0  0  0
 17 13  2  0  0  0  0
 18 14  1  0  0  0  0
 19  4  1  0  0  0  0
 20  4  1  0  0  0  0
 21 20  1  0  0  0  0
 22 19  1  0  0  0  0
 23 22  1  0  0  0  0
 24 21  1  0  0  0  0
  6  8  2  0  0  0  0
 23 24  1  0  0  0  0
  9 14  2  0  0  0  0
M  END
>  <Mol_ID> (6,423)
6423

>  <Formula> (6,423)
C18H19Cl2NO3

>  <MolWeight> (6,423)
368.25436

>  <COMPOUND_NAME> (6,423)
WAY-325448

>  <BAR_CODE_NO> (6,423)
300449

$$$$
WAY-325453
csChFnd80/06171916332D

 23 25  0  0  0  0  0  0  0  0999 V2000
   12.5625   -9.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4167   -9.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0667   -9.8917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8417   -9.0250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2750  -10.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1250   -9.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4000  -10.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6125   -8.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6667  -10.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8625  -10.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9125   -9.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8000   -9.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5250   -8.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2625   -9.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1125   -8.3292    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   15.5542  -10.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5042  -11.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3500  -11.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2000  -10.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6625   -8.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -11.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3417  -10.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0625   -9.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  2  0  0  0  0
  6  4  1  0  0  0  0
  7  5  1  0  0  0  0
  8  2  2  0  0  0  0
  9 14  1  0  0  0  0
 10  3  1  0  0  0  0
 11  3  1  0  0  0  0
 12  9  1  0  0  0  0
 13 12  1  0  0  0  0
 14  6  1  0  0  0  0
 15 13  1  0  0  0  0
 16 11  1  0  0  0  0
 17 10  1  0  0  0  0
 18 16  1  0  0  0  0
 19 12  2  0  0  0  0
 20 13  2  0  0  0  0
 21 18  1  0  0  0  0
 22 19  1  0  0  0  0
 23 22  2  0  0  0  0
  6  7  2  0  0  0  0
 17 18  1  0  0  0  0
 20 23  1  0  0  0  0
M  END
>  <Mol_ID> (6,424)
6424

>  <Formula> (6,424)
C18H20ClNO3

>  <MolWeight> (6,424)
333.8093

>  <COMPOUND_NAME> (6,424)
WAY-325453

>  <BAR_CODE_NO> (6,424)
300454

$$$$
WAY-325454
csChFnd80/06171916332D

 24 26  0  0  0  0  0  0  0  0999 V2000
   11.2750   -5.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6292   -4.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9917   -6.1125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8875   -4.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9542   -6.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9000   -7.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1000   -7.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7042   -3.6042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6125   -7.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8000   -5.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4917   -8.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5250   -9.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7750   -8.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6792  -10.1125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   13.2292   -2.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4625   -6.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0667   -4.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3375   -7.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4125  -10.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2500   -9.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3750   -7.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -5.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2125   -8.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6625   -6.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  2  0  0  0  0
  6  3  1  0  0  0  0
  7  5  1  0  0  0  0
  8  2  2  0  0  0  0
  9 13  1  0  0  0  0
 10  4  1  0  0  0  0
 11  9  1  0  0  0  0
 12 11  2  0  0  0  0
 13  6  1  0  0  0  0
 14 12  1  0  0  0  0
 15  4  1  0  0  0  0
 16 10  2  0  0  0  0
 17 10  1  0  0  0  0
 18 11  1  0  0  0  0
 19 12  1  0  0  0  0
 20 23  1  0  0  0  0
 21 16  1  0  0  0  0
 22 17  2  0  0  0  0
 23 18  2  0  0  0  0
 24 22  1  0  0  0  0
  6  7  2  0  0  0  0
 21 24  2  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (6,425)
6425

>  <Formula> (6,425)
C19H16ClNO3

>  <MolWeight> (6,425)
341.78824

>  <COMPOUND_NAME> (6,425)
WAY-325454

>  <BAR_CODE_NO> (6,425)
300455

$$$$
WAY-325456
csChFnd80/06171916332D

 23 25  0  0  0  0  0  0  0  0999 V2000
   11.1500   -8.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5250   -8.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0375   -7.7167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5125   -9.2750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6417   -9.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8542   -8.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2375   -9.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9125   -6.9250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5125   -9.1667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1375   -8.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1375   -9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5125   -8.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5042  -11.1792    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   12.9250  -10.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8750   -8.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7667   -7.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7875   -9.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9875   -9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5625  -11.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3917   -7.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250   -8.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9625  -12.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -11.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  2  0  0  0  0
  6  3  1  0  0  0  0
  7  5  1  0  0  0  0
  8  2  2  0  0  0  0
  9 12  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12  6  1  0  0  0  0
 13 11  1  0  0  0  0
 14  4  1  0  0  0  0
 15  4  1  0  0  0  0
 16 10  1  0  0  0  0
 17 11  1  0  0  0  0
 18 15  1  0  0  0  0
 19 14  1  0  0  0  0
 20 16  2  0  0  0  0
 21 20  1  0  0  0  0
 22 19  1  0  0  0  0
 23 18  1  0  0  0  0
  6  7  2  0  0  0  0
 22 23  1  0  0  0  0
 17 21  2  0  0  0  0
M  END
>  <Mol_ID> (6,426)
6426

>  <Formula> (6,426)
C18H20BrNO3

>  <MolWeight> (6,426)
378.2603

>  <COMPOUND_NAME> (6,426)
WAY-325456

>  <BAR_CODE_NO> (6,426)
300457

$$$$
WAY-325459
csChFnd80/06171916332D

 24 26  0  0  0  0  0  0  0  0999 V2000
   12.4750   -5.2417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5375   -4.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2500   -4.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1375   -3.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8875   -5.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0875   -4.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3625   -7.1167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7625   -4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1250   -6.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5542   -5.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8917   -3.0250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8417   -5.3542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7125   -5.8500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.0625   -7.4875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5667   -5.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6167   -5.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7875   -4.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9500   -7.2750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.2250   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3500   -5.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7250   -8.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -5.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9250   -3.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9917   -4.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  3  2  0  0  0  0
  6  4  1  0  0  0  0
  7 14  1  0  0  0  0
  8  1  1  0  0  0  0
  9  1  1  0  0  0  0
 10  5  1  0  0  0  0
 11  2  2  0  0  0  0
 12 17  1  0  0  0  0
 13  8  1  0  0  0  0
 14  9  1  0  0  0  0
 15 12  1  0  0  0  0
 16 15  2  0  0  0  0
 17  6  1  0  0  0  0
 18 16  1  0  0  0  0
 19 15  1  0  0  0  0
 20 16  1  0  0  0  0
 21 14  1  0  0  0  0
 22 13  1  0  0  0  0
 23 19  2  0  0  0  0
 24 23  1  0  0  0  0
 13  7  1  0  0  0  0
  6 10  2  0  0  0  0
 20 24  2  0  0  0  0
M  END
>  <Mol_ID> (6,427)
6427

>  <Formula> (6,427)
C18H20BrNO4

>  <MolWeight> (6,427)
394.2597

>  <COMPOUND_NAME> (6,427)
WAY-325459

>  <BAR_CODE_NO> (6,427)
300460

$$$$
WAY-325461
csChFnd80/06171916332D

 26 29  0  0  0  0  0  0  0  0999 V2000
   12.4625   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2500   -1.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0250   -1.8917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0042   -0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6542   -1.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2875   -1.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2750   -0.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6250   -0.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9875   -4.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5417   -4.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2375   -4.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0375   -3.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3292   -3.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8917   -2.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7167   -2.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4375   -1.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5792   -3.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2000   -5.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6875   -5.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8500   -2.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8125   -1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6500   -6.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8875   -5.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6000   -1.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6292   -2.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8  2  2  0  0  0  0
  9 10  2  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 12 17  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15  6  1  0  0  0  0
 16  5  1  0  0  0  0
 17 13  2  0  0  0  0
 18  9  1  0  0  0  0
 19 11  1  0  0  0  0
 20 16  2  0  0  0  0
 21 16  1  0  0  0  0
 22 18  2  0  0  0  0
 23 19  2  0  0  0  0
 24 21  2  0  0  0  0
 25 20  1  0  0  0  0
 26 24  1  0  0  0  0
  7  6  2  0  0  0  0
 25 26  2  0  0  0  0
  9 11  1  0  0  0  0
 23 22  1  0  0  0  0
M  END
>  <Mol_ID> (6,428)
6428

>  <Formula> (6,428)
C22H17NO3

>  <MolWeight> (6,428)
343.37528

>  <COMPOUND_NAME> (6,428)
WAY-325461

>  <BAR_CODE_NO> (6,428)
300462

$$$$
WAY-325462
csChFnd80/06171916332D

 26 28  0  0  0  0  0  0  0  0999 V2000
   13.6125   -7.4500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4000   -6.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2917   -5.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7042   -7.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2667   -5.5750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0875   -4.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4125   -6.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1667   -5.4875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7375   -8.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0917   -5.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1375   -5.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9375   -4.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0500   -4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3292   -6.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0125   -4.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8917   -3.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2125   -5.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1375   -5.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8167   -3.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9125   -8.9625    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.8500   -3.9042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9500   -9.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0375   -9.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9542   -4.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -9.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8792   -4.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  2  0  0  0  0
  6  3  1  0  0  0  0
  7  3  2  0  0  0  0
  8 13  1  0  0  0  0
  9  1  1  0  0  0  0
 10  8  1  0  0  0  0
 11 14  2  0  0  0  0
 12 18  1  0  0  0  0
 13 11  1  0  0  0  0
 14  7  1  0  0  0  0
 15  6  2  0  0  0  0
 16 10  2  0  0  0  0
 17 10  1  0  0  0  0
 18 17  2  0  0  0  0
 19 16  1  0  0  0  0
 20  4  1  0  0  0  0
 21 12  1  0  0  0  0
 22  9  1  0  0  0  0
 23 22  1  0  0  0  0
 24 21  1  0  0  0  0
 25 20  1  0  0  0  0
 26 24  1  0  0  0  0
 20 23  1  0  0  0  0
 11 15  1  0  0  0  0
 19 12  2  0  0  0  0
M  END
>  <Mol_ID> (6,429)
6429

>  <Formula> (6,429)
C22H27NO3

>  <MolWeight> (6,429)
353.45468

>  <COMPOUND_NAME> (6,429)
WAY-325462

>  <BAR_CODE_NO> (6,429)
300463

$$$$
WAY-325463
csChFnd80/06171916332D

 26 28  0  0  0  0  0  0  0  0999 V2000
   11.9292  -11.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5500  -12.7917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8417  -10.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3750  -10.9375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2000   -8.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3792   -5.3167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7125   -3.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1250   -7.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3917   -0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4750   -6.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6042   -2.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1500   -3.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9500   -1.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4917   -1.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0375  -13.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6042  -13.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3917  -10.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7250    0.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3125   -9.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6875   -8.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6125    1.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5417  -15.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2750  -14.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9500    3.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7250  -15.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2125  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  3  1  0  0  0  0
  6 10  1  0  0  0  0
  7  6  1  0  0  0  0
  8  5  2  0  0  0  0
  9 14  1  0  0  0  0
 10  8  1  0  0  0  0
 11  7  2  0  0  0  0
 12  7  1  0  0  0  0
 13 11  1  0  0  0  0
 14 12  2  0  0  0  0
 15  2  1  0  0  0  0
 16  2  1  0  0  0  0
 17  3  2  0  0  0  0
 18  9  1  0  0  0  0
 19 17  1  0  0  0  0
 20 19  2  0  0  0  0
 21 18  1  0  0  0  0
 22 16  1  0  0  0  0
 23 15  1  0  0  0  0
 24 21  1  0  0  0  0
 25 23  1  0  0  0  0
 26 22  1  0  0  0  0
  8 20  1  0  0  0  0
 25 26  1  0  0  0  0
 13  9  2  0  0  0  0
M  END
>  <Mol_ID> (6,430)
6430

>  <Formula> (6,430)
C22H27NO3

>  <MolWeight> (6,430)
353.45468

>  <COMPOUND_NAME> (6,430)
WAY-325463

>  <BAR_CODE_NO> (6,430)
300464

$$$$
WAY-325472
csChFnd80/06171916332D

 25 27  0  0  0  0  0  0  0  0999 V2000
   11.5542   -4.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6750   -4.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5125   -5.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5625   -4.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2750   -6.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6750   -5.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1167   -6.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9542   -3.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2125   -6.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6250   -5.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1875   -3.6750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5375   -4.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0542   -3.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8000   -2.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4625   -5.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0417   -7.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2625   -4.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7125   -2.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1375   -4.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5792   -2.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1667   -7.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6625   -2.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3250   -1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1875   -1.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  2  0  0  0  0
  6  4  1  0  0  0  0
  7  5  1  0  0  0  0
  8  2  2  0  0  0  0
  9  3  1  0  0  0  0
 10  3  1  0  0  0  0
 11 12  1  0  0  0  0
 12  6  1  0  0  0  0
 13 11  1  0  0  0  0
 14 20  1  0  0  0  0
 15 10  1  0  0  0  0
 16  9  1  0  0  0  0
 17 13  2  0  0  0  0
 18 13  1  0  0  0  0
 19 17  1  0  0  0  0
 20 18  2  0  0  0  0
 21 15  1  0  0  0  0
 22 14  1  0  0  0  0
 23 22  1  0  0  0  0
 24 21  1  0  0  0  0
 25 23  1  0  0  0  0
  6  7  2  0  0  0  0
 16 21  1  0  0  0  0
 19 14  2  0  0  0  0
M  END
>  <Mol_ID> (6,431)
6431

>  <Formula> (6,431)
C20H25NO4

>  <MolWeight> (6,431)
343.4168

>  <COMPOUND_NAME> (6,431)
WAY-325472

>  <BAR_CODE_NO> (6,431)
300473

$$$$
WAY-325474
csChFnd80/06171916332D

 30 33  0  0  0  0  0  0  0  0999 V2000
    5.9125  -12.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2250  -13.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2750  -12.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1875  -12.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8875  -13.7375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1542  -11.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7250  -11.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8417  -14.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1625  -14.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2000  -14.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8750  -13.2042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8292  -15.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3667  -12.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9625  -12.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542  -11.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1875  -15.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7417  -11.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4542  -11.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0667  -12.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5542  -11.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8750  -14.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3417  -11.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8000  -14.8792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1500  -15.9875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8750  -12.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6625  -11.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1125  -15.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7875  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2750  -12.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1625  -11.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8 10  1  0  0  0  0
  9  8  2  0  0  0  0
 10  5  1  0  0  0  0
 11  2  2  0  0  0  0
 12 16  2  0  0  0  0
 13 14  1  0  0  0  0
 14 18  2  0  0  0  0
 15 17  1  0  0  0  0
 16 21  1  0  0  0  0
 17 22  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20  6  1  0  0  0  0
 21 10  2  0  0  0  0
 22 18  1  0  0  0  0
 23  9  1  0  0  0  0
 24 12  1  0  0  0  0
 25 13  2  0  0  0  0
 26 15  2  0  0  0  0
 27 23  1  0  0  0  0
 28 24  1  0  0  0  0
 29 25  1  0  0  0  0
 30 26  1  0  0  0  0
  7  6  2  0  0  0  0
  9 12  1  0  0  0  0
 13 15  1  0  0  0  0
 30 29  2  0  0  0  0
M  END
>  <Mol_ID> (6,432)
6432

>  <Formula> (6,432)
C24H21NO5

>  <MolWeight> (6,432)
403.42724

>  <COMPOUND_NAME> (6,432)
WAY-325474

>  <BAR_CODE_NO> (6,432)
300475

$$$$
WAY-325480
csChFnd80/06171916332D

 24 26  0  0  0  0  0  0  0  0999 V2000
    7.7042   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0625   -6.7625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7542   -8.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3917   -7.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2000   -4.8417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1750   -9.4375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6667   -5.6000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.7625   -8.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4500   -4.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8375  -10.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5167   -4.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3875  -13.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8167   -9.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0000  -14.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7292  -13.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3625   -7.3875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1125  -12.0667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6875  -13.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9542  -15.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4500  -11.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4375  -13.7125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.3000  -14.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5750  -16.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.6125   -3.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  2  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8  3  2  0  0  0  0
  9  5  1  0  0  0  0
 10  6  1  0  0  0  0
 11  7  1  0  0  0  0
 12 15  2  0  0  0  0
 13  8  1  0  0  0  0
 14 12  1  0  0  0  0
 15 17  1  0  0  0  0
 16  4  2  0  0  0  0
 17 20  1  0  0  0  0
 18 15  1  0  0  0  0
 19 22  1  0  0  0  0
 20 10  1  0  0  0  0
 21 12  1  0  0  0  0
 22 18  2  0  0  0  0
 23 19  1  0  0  0  0
 24  9  1  0  0  0  0
  9 11  2  0  0  0  0
 10 13  2  0  0  0  0
 14 19  2  0  0  0  0
M  END
>  <Mol_ID> (6,433)
6433

>  <Formula> (6,433)
C16H12Cl2N2O3S

>  <MolWeight> (6,433)
383.24908

>  <COMPOUND_NAME> (6,433)
WAY-325480

>  <BAR_CODE_NO> (6,433)
300481

$$$$
WAY-325481
csChFnd80/06171916332D

 29 32  0  0  0  0  0  0  0  0999 V2000
   10.5000   -9.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7625   -9.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6500   -8.5125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8750  -10.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5125  -10.3375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4917   -9.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6292  -10.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2792   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4750  -14.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9792  -13.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2750   -8.1542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2875   -6.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3875   -7.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2250  -16.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0000  -11.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2292  -12.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2500  -13.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3917   -8.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1875   -4.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7417  -11.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7500  -12.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0875   -6.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1917   -7.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3875   -4.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2125  -15.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0875   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1875   -3.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3750   -3.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2792   -2.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
 10 17  1  0  0  0  0
 11  2  2  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  0  0  0  0
 14  9  2  0  0  0  0
 15  5  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  2  0  0  0  0
 18  6  1  0  0  0  0
 19  8  1  0  0  0  0
 20 15  2  0  0  0  0
 21 15  1  0  0  0  0
 22 23  1  0  0  0  0
 23 12  2  0  0  0  0
 24  8  2  0  0  0  0
 25  9  1  0  0  0  0
 26 22  2  0  0  0  0
 27 19  2  0  0  0  0
 28 24  1  0  0  0  0
 29 28  2  0  0  0  0
  6  7  2  0  0  0  0
 16 10  2  0  0  0  0
 19 26  1  0  0  0  0
 27 29  1  0  0  0  0
M  END
>  <Mol_ID> (6,434)
6434

>  <Formula> (6,434)
C24H19NO4

>  <MolWeight> (6,434)
385.41196

>  <COMPOUND_NAME> (6,434)
WAY-325481

>  <BAR_CODE_NO> (6,434)
300482

$$$$
WAY-325484
csChFnd80/06171916332D

 20 21  0  0  0  0  0  0  0  0999 V2000
   12.7542   -8.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7542   -9.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3375  -10.6750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4000   -7.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9375   -8.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9375   -9.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1125   -7.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.4917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4500   -5.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1042   -3.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.1625  -10.6750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0750   -5.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5750   -7.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5292  -10.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5292   -2.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8792   -5.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1292   -9.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1292   -8.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292   -3.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7250  -10.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  1  1  0  0  0  0
  8  7  3  0  0  0  0
  9  4  1  0  0  0  0
 10 12  1  0  0  0  0
 11  2  1  0  0  0  0
 12  9  2  0  0  0  0
 13  5  1  0  0  0  0
 14  6  1  0  0  0  0
 15 19  1  0  0  0  0
 16  9  1  0  0  0  0
 17 14  1  0  0  0  0
 18 13  1  0  0  0  0
 19 16  2  0  0  0  0
 20 17  1  0  0  0  0
  6  3  1  0  0  0  0
 10 15  2  0  0  0  0
M  END
>  <Mol_ID> (6,435)
6435

>  <Formula> (6,435)
C16H18N4

>  <MolWeight> (6,435)
266.34092

>  <COMPOUND_NAME> (6,435)
WAY-325484

>  <BAR_CODE_NO> (6,435)
300485

$$$$
WAY-325485
csChFnd80/06171916332D

 21 23  0  0  0  0  0  0  0  0999 V2000
   13.7292   -7.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4167  -10.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4167   -7.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7292   -9.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1125   -8.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0792   -9.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3917   -5.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8875   -7.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9724   -7.3248    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.5292   -5.0292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6542  -10.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2125   -5.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0792   -3.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6292   -3.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0375  -10.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9417   -7.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2667   -9.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6417  -11.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2250  -12.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8417  -10.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8167  -11.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  2  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  1  1  0  0  0  0
  9  8  3  0  0  0  0
 10  7  1  0  0  0  0
 11  6  1  0  0  0  0
 12  7  2  0  0  0  0
 13 10  1  0  0  0  0
 14 12  1  0  0  0  0
 15  4  1  0  0  0  0
 16  5  1  0  0  0  0
 17 11  2  0  0  0  0
 18 11  1  0  0  0  0
 19 18  2  0  0  0  0
 20 17  1  0  0  0  0
 21 19  1  0  0  0  0
  6  5  2  0  0  0  0
 14 13  2  0  0  0  0
 21 20  2  0  0  0  0
M  END
>  <Mol_ID> (6,436)
6436

>  <Formula> (6,436)
C17H13N3O

>  <MolWeight> (6,436)
275.30462

>  <COMPOUND_NAME> (6,436)
WAY-325485

>  <BAR_CODE_NO> (6,436)
300486

$$$$
WAY-325487
csChFnd80/06171916332D

 22 24  0  0  0  0  0  0  0  0999 V2000
    7.7332    4.4047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5153    2.2709    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5292    4.9858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2787    2.9822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7332    2.9613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2996    4.3443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4944    6.3177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8234    4.7045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8359    4.9830    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9631    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5612    7.1196    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4065    7.0894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1359    8.3957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7970    8.3562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9629    2.2709    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9468    0.7438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6591    3.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3063    0.7647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2211    4.9556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6312    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3319    2.2942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0255    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  2  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  3  1  0  0  0  0
  8  1  1  0  0  0  0
  9  8  3  0  0  0  0
 10  4  1  0  0  0  0
 11  7  1  0  0  0  0
 12  7  2  0  0  0  0
 13 11  1  0  0  0  0
 14 12  1  0  0  0  0
 15  5  1  0  0  0  0
 16 10  1  0  0  0  0
 17 10  2  0  0  0  0
 18 21  2  0  0  0  0
 19  6  1  0  0  0  0
 20 16  2  0  0  0  0
 21 17  1  0  0  0  0
 22 18  1  0  0  0  0
  4  6  2  0  0  0  0
 14 13  2  0  0  0  0
 20 18  1  0  0  0  0
M  END
>  <Mol_ID> (6,437)
6437

>  <Formula> (6,437)
C17H12FN3O

>  <MolWeight> (6,437)
293.2950832

>  <COMPOUND_NAME> (6,437)
WAY-325487

>  <BAR_CODE_NO> (6,437)
300488

$$$$
WAY-325490
csChFnd80/06171916332D

 21 23  0  0  0  0  0  0  0  0999 V2000
    7.8387    7.4452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5413    7.8668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2440    7.4452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2440    6.6020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5413    6.1804    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8387    6.6020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1361    6.2085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5413    8.7099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9466    7.8668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6455    8.2861    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9466    6.2085    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9230    9.2720    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2603   10.0309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1034    9.9466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2721    9.1315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1361    5.3934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4334    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7027    5.4216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7027    6.2366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4053    6.6301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.0281    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  2  8  1  0  0  0  0
  3  4  2  0  0  0  0
  3  9  1  0  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7 16  2  0  0  0  0
  7 20  1  0  0  0  0
  8 12  1  0  0  0  0
  8 15  2  0  0  0  0
  9 10  3  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (6,438)
6438

>  <Formula> (6,438)
C16H10ClN3O

>  <MolWeight> (6,438)
295.7231

>  <COMPOUND_NAME> (6,438)
WAY-325490

>  <BAR_CODE_NO> (6,438)
300491

$$$$
WAY-325506
csChFnd80/06171916332D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -1.7796   -0.0683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8176    1.2592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9624   -0.7442    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6245   -0.7442    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6245    1.9523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1314    1.2592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9624   -2.0890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1314   -0.0683    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6245   -2.0890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5376    1.2592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6245    3.2937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7796   -2.7683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1107   -2.7890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6135   -2.7649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7238    1.9523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5445    3.9592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8238   -2.0545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7238    3.2937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0411   -2.7477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8066   -0.6614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8790    3.9765    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.2411   -2.0477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0100    0.0558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2273   -0.6235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  7 12  1  0  0  0  0
  7 13  2  0  0  0  0
  9 14  1  0  0  0  0
 10 15  2  0  0  0  0
 11 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 17 19  2  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  2  0  0  0  0
 22 24  2  0  0  0  0
  6  8  2  0  0  0  0
  9 12  2  0  0  0  0
 16 18  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (6,439)
6439

>  <Formula> (6,439)
C19H14ClN3O

>  <MolWeight> (6,439)
335.78696

>  <COMPOUND_NAME> (6,439)
WAY-325506

>  <BAR_CODE_NO> (6,439)
300507

$$$$
WAY-605919-A
csChFnd80/06171916332D

 21 23  0  0  0  0  0  0  0  0999 V2000
    2.1292    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9167    0.7583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9167    1.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8792   -0.2875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    1.1708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292    1.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4292   -0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7250   -2.2917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1750   -1.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5792    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2375   -0.7292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8292   -3.5250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5292   -2.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4667   -3.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0250   -3.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0875   -2.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3375    1.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    2.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1667    3.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0042    2.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9167    3.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7  4  1  0  0  0  0
  8  9  1  0  0  0  0
  9  7  1  0  0  0  0
 10  3  1  0  0  0  0
 11  7  2  0  0  0  0
 12 16  1  0  0  0  0
 13  8  1  0  0  0  0
 14  8  1  0  0  0  0
 15 14  1  0  0  0  0
 16 13  1  0  0  0  0
 17 10  1  0  0  0  0
 18 10  2  0  0  0  0
 19 18  1  0  0  0  0
 20 17  2  0  0  0  0
 21 20  1  0  0  0  0
  6  3  2  0  0  0  0
 15 12  1  0  0  0  0
 19 21  2  0  0  0  0
M  END
>  <Mol_ID> (6,440)
6440

>  <Formula> (6,440)
C15H17N3O2S

>  <MolWeight> (6,440)
303.37938

>  <COMPOUND_NAME> (6,440)
WAY-605919-A

>  <BAR_CODE_NO> (6,440)
90439532

$$$$
WAY-605925
csChFnd80/06171916332D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.2333   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208   -0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333   -1.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4875    0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5500   -0.2875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5500   -1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0625    1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3625    2.7708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4875   -2.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958    2.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667    1.1958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4667    3.9875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2958   -2.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0625   -2.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5500   -3.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958   -3.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958   -3.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042    3.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667    2.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7167    3.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542    4.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2583   -4.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7  4  1  0  0  0  0
  8 10  1  0  0  0  0
  9  3  1  0  0  0  0
 10  7  1  0  0  0  0
 11  7  2  0  0  0  0
 12 20  1  0  0  0  0
 13  9  2  0  0  0  0
 14  9  1  0  0  0  0
 15 13  1  0  0  0  0
 16 14  2  0  0  0  0
 17 16  1  0  0  0  0
 18  8  1  0  0  0  0
 19  8  1  0  0  0  0
 20 19  1  0  0  0  0
 21 18  1  0  0  0  0
 22 17  1  0  0  0  0
  6  3  2  0  0  0  0
 12 21  1  0  0  0  0
 17 15  2  0  0  0  0
M  END
>  <Mol_ID> (6,441)
6441

>  <Formula> (6,441)
C16H19N3O2S

>  <MolWeight> (6,441)
317.40596

>  <COMPOUND_NAME> (6,441)
WAY-605925

>  <BAR_CODE_NO> (6,441)
90439538

$$$$
WAY-606012
csChFnd80/06171916332D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -0.4875    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4875    1.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083    2.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708    2.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5250   -3.0542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708    1.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042   -2.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8625   -3.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167    2.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1500    0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167   -0.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167   -3.6375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042   -0.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667   -2.2167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6667    0.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3750   -4.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000   -0.7042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542   -1.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542   -4.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542    1.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333    3.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6792   -3.8917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9875    2.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9875    1.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833    4.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7000    2.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7000    1.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  7  2  0  0  0  0
  6  4  2  0  0  0  0
  7 14  1  0  0  0  0
  8  5  1  0  0  0  0
  9  3  1  0  0  0  0
 10  2  1  0  0  0  0
 11 13  1  0  0  0  0
 12  7  1  0  0  0  0
 13 15  1  0  0  0  0
 14 18  1  0  0  0  0
 15 20  1  0  0  0  0
 16 19  1  0  0  0  0
 17 11  2  0  0  0  0
 18 11  1  0  0  0  0
 19 12  2  0  0  0  0
 20  9  2  0  0  0  0
 21  1  1  0  0  0  0
 22  8  1  0  0  0  0
 23  4  1  0  0  0  0
 24  6  1  0  0  0  0
 25 21  1  0  0  0  0
 26 23  2  0  0  0  0
 27 26  1  0  0  0  0
  2  6  1  0  0  0  0
 27 24  2  0  0  0  0
 15 10  2  0  0  0  0
 16  8  2  0  0  0  0
M  END
>  <Mol_ID> (6,442)
6442

>  <Formula> (6,442)
C20H18N4O2S

>  <MolWeight> (6,442)
378.44752

>  <COMPOUND_NAME> (6,442)
WAY-606012

>  <BAR_CODE_NO> (6,442)
90439630

$$$$
WAY-606096
csChFnd80/06171916332D

 29 33  0  0  0  0  0  0  0  0999 V2000
   -1.5583   -0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5583    0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333   -0.2750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333    0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458    0.9625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458   -0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3458    0.8083    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3458   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042    0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8333    0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3167    1.2458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9042    1.9583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    1.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792    0.9625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.7667    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3000    0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792   -0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458   -1.5125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6833   -1.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6500    0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4875    2.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9375   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792   -1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3000   -0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5000   -1.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9875   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042   -0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3000   -1.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042   -1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  6  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  1  1  0  0  0  0
  9 16  1  0  0  0  0
 10  8  2  0  0  0  0
 11 15  2  0  0  0  0
 12 13  1  0  0  0  0
 13  9  2  0  0  0  0
 14  4  1  0  0  0  0
 15  9  1  0  0  0  0
 16 14  1  0  0  0  0
 17  3  1  0  0  0  0
 18  6  2  0  0  0  0
 19  8  1  0  0  0  0
 20 10  1  0  0  0  0
 21 13  1  0  0  0  0
 22 15  1  0  0  0  0
 23 17  1  0  0  0  0
 24 17  2  0  0  0  0
 25 19  1  0  0  0  0
 26 25  1  0  0  0  0
 27 24  1  0  0  0  0
 28 23  2  0  0  0  0
 29 27  2  0  0  0  0
 10  7  1  0  0  0  0
  5  4  2  0  0  0  0
 26 20  1  0  0  0  0
 29 28  1  0  0  0  0
 12 11  1  0  0  0  0
M  END
>  <Mol_ID> (6,443)
6443

>  <Formula> (6,443)
C22H21N3O2S2

>  <MolWeight> (6,443)
423.55104

>  <COMPOUND_NAME> (6,443)
WAY-606096

>  <BAR_CODE_NO> (6,443)
90439714

$$$$
WAY-606264
csChFnd80/06171916332D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.0292   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167   -0.8875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167    0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3000   -0.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3000    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2083    0.4958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0333    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5208    1.1625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042   -1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042    0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5208   -0.1667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2083   -0.9292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542    1.2333    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7292   -0.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7292    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4417   -1.0417    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3083    0.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3083    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  5  1  0  0  0  0
 11  6  1  0  0  0  0
 12  8  1  0  0  0  0
 13  4  2  0  0  0  0
 14  3  1  0  0  0  0
 15 10  2  0  0  0  0
 16 11  2  0  0  0  0
 17 15  1  0  0  0  0
 18  9  1  0  0  0  0
 19 12  1  0  0  0  0
  5  6  2  0  0  0  0
 16 15  1  0  0  0  0
 19 18  1  0  0  0  0
M  END
>  <Mol_ID> (6,444)
6444

>  <Formula> (6,444)
C12H8ClFN2OS2

>  <MolWeight> (6,444)
314.7861232

>  <COMPOUND_NAME> (6,444)
WAY-606264

>  <BAR_CODE_NO> (6,444)
90439893

$$$$
WAY-606344
csChFnd80/06171916332D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -0.1958   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6750    0.4833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917    0.0708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917    0.8958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958    1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458   -0.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042   -1.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458    1.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2500   -1.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9583    3.5083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458   -2.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9125   -1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   -2.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042   -2.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4667   -2.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7625   -3.4167    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458    3.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083    2.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042    2.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2500    2.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  5  1  0  0  0  0
  9  6  2  0  0  0  0
 10 18  2  0  0  0  0
 11  7  2  0  0  0  0
 12  7  1  0  0  0  0
 13 15  1  0  0  0  0
 14 11  1  0  0  0  0
 15 12  2  0  0  0  0
 16 13  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19  8  1  0  0  0  0
 20  8  2  0  0  0  0
  5  4  2  0  0  0  0
 13 14  2  0  0  0  0
 10 17  1  0  0  0  0
M  END
>  <Mol_ID> (6,445)
6445

>  <Formula> (6,445)
C14H8ClN3O2

>  <MolWeight> (6,445)
285.68522

>  <COMPOUND_NAME> (6,445)
WAY-606344

>  <BAR_CODE_NO> (6,445)
90439973

$$$$
WAY-606376
csChFnd80/06171916332D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -0.6333   -1.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0875   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333   -1.1167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0875    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2958   -2.4250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0875    1.7708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000    1.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000    0.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417   -2.4250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5167    1.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333    0.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333    1.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0458   -3.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208   -3.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042    2.5958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.1167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667    1.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4042    2.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8167    2.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458    1.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5250   -3.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0583    0.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0583    1.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  2  0  0  0  0
  6 12  2  0  0  0  0
  7  8  2  0  0  0  0
  8  4  1  0  0  0  0
  9  1  1  0  0  0  0
 10  7  1  0  0  0  0
 11  4  2  0  0  0  0
 12 11  1  0  0  0  0
 13  5  1  0  0  0  0
 14  9  1  0  0  0  0
 15 10  1  0  0  0  0
 16  2  2  0  0  0  0
 17 10  2  0  0  0  0
 18 15  1  0  0  0  0
 19 17  1  0  0  0  0
 20 11  1  0  0  0  0
 21 12  1  0  0  0  0
 22 13  1  0  0  0  0
 23 20  2  0  0  0  0
 24 23  1  0  0  0  0
 14 13  2  0  0  0  0
  6  7  1  0  0  0  0
 24 21  2  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (6,446)
6446

>  <Formula> (6,446)
C18H13N3O2S

>  <MolWeight> (6,446)
335.37972

>  <COMPOUND_NAME> (6,446)
WAY-606376

>  <BAR_CODE_NO> (6,446)
90440006

$$$$
WAY-606483
csChFnd80/06171916332D

 28 31  0  0  0  0  0  0  0  0999 V2000
    1.6417   -0.2875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458    1.1833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5875    0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6250    1.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417   -0.4542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3583    1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4667   -1.0917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8125    0.5208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833    0.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1375   -0.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6250    2.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458    2.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792   -0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333    0.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5250   -0.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7042   -1.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2125   -2.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5042   -1.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1500   -1.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7667   -2.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4042   -2.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3458    1.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3458    2.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4667   -3.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0583    1.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0583    2.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3 10  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  1  2  0  0  0  0
  9  1  2  0  0  0  0
 10 16  1  0  0  0  0
 11  3  2  0  0  0  0
 12  4  2  0  0  0  0
 13  6  1  0  0  0  0
 14  7  2  0  0  0  0
 15  7  1  0  0  0  0
 16 15  2  0  0  0  0
 17 14  1  0  0  0  0
 18  5  1  0  0  0  0
 19 23  2  0  0  0  0
 20 18  1  0  0  0  0
 21 18  2  0  0  0  0
 22 20  2  0  0  0  0
 23 21  1  0  0  0  0
 24  4  1  0  0  0  0
 25 12  1  0  0  0  0
 26 19  1  0  0  0  0
 27 24  2  0  0  0  0
 28 27  1  0  0  0  0
 10 17  2  0  0  0  0
 22 19  1  0  0  0  0
 12 13  1  0  0  0  0
 28 25  2  0  0  0  0
M  END
>  <Mol_ID> (6,447)
6447

>  <Formula> (6,447)
C22H20N2O3S

>  <MolWeight> (6,447)
392.4708

>  <COMPOUND_NAME> (6,447)
WAY-606483

>  <BAR_CODE_NO> (6,447)
90440116

$$$$
WAY-606529
csChFnd80/06171916332D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.3750   -1.0792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542   -0.4125    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.6417   -0.6667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542   -1.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4500   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6417   -1.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042    0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042   -2.5292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6875   -0.3667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8625   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1000    0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542    0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4500    0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6875    1.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000    1.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8625    1.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0917    1.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  2  1  0  0  0  0
  8  4  2  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
 11  9  1  0  0  0  0
 12  7  1  0  0  0  0
 13  7  2  0  0  0  0
 14 10  1  0  0  0  0
 15 18  1  0  0  0  0
 16 13  1  0  0  0  0
 17 12  2  0  0  0  0
 18 14  2  0  0  0  0
 19 16  2  0  0  0  0
  3  6  1  0  0  0  0
 15 11  2  0  0  0  0
 19 17  1  0  0  0  0
M  END
>  <Mol_ID> (6,448)
6448

>  <Formula> (6,448)
C15H14N2OS

>  <MolWeight> (6,448)
270.34946

>  <COMPOUND_NAME> (6,448)
WAY-606529

>  <BAR_CODE_NO> (6,448)
90440164

$$$$
WAY-607053
csChFnd80/06171916332D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -0.2708    0.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2125    0.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708    1.4458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0583    0.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208   -0.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0583    1.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917   -0.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1250   -1.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4042   -0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9417   -1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0375    0.7833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7708   -0.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7708    1.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -2.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4833    0.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4833    1.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  2  0  0  0  0
  6  4  2  0  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
  9  7  2  0  0  0  0
 10  8  1  0  0  0  0
 11  9  1  0  0  0  0
 12  2  2  0  0  0  0
 13  4  1  0  0  0  0
 14  6  1  0  0  0  0
 15 10  1  0  0  0  0
 16 13  2  0  0  0  0
 17 16  1  0  0  0  0
  6  3  1  0  0  0  0
 11 10  2  0  0  0  0
 17 14  2  0  0  0  0
M  END
>  <Mol_ID> (6,449)
6449

>  <Formula> (6,449)
C14H11NO2

>  <MolWeight> (6,449)
225.24264

>  <COMPOUND_NAME> (6,449)
WAY-607053

>  <BAR_CODE_NO> (6,449)
90440698

$$$$
WAY-607108
csChFnd80/06171916332D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -0.0750    1.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5583    0.5833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042    0.9958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0750   -0.0875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.7042    0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167   -1.4875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2625   -3.6667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042    1.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333   -0.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333   -2.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167   -2.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0750    2.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583    2.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6 10  1  0  0  0  0
  7 12  1  0  0  0  0
  8  1  1  0  0  0  0
  9  1  1  0  0  0  0
 10  4  1  0  0  0  0
 11  6  1  0  0  0  0
 12 11  1  0  0  0  0
 13  9  1  0  0  0  0
 14  8  1  0  0  0  0
 14 13  1  0  0  0  0
  5  4  1  0  0  0  0
M  END
>  <Mol_ID> (6,450)
6450

>  <Formula> (6,450)
C10H20N2O2

>  <MolWeight> (6,450)
200.278

>  <COMPOUND_NAME> (6,450)
WAY-607108

>  <BAR_CODE_NO> (6,450)
90440754

$$$$
WAY-607113
csChFnd80/06171916332D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -0.3250   -0.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0458   -0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3250    0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542   -0.3167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7583   -0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9417    0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0458    1.1750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7583    0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667    0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4708   -0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0458   -1.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1792   -0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1792    1.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4167    0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0042   -0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0042    1.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2417    0.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1833   -0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4708   -1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6542    1.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1833   -1.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8958   -0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8958   -1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  2  0  0  0  0
  6  3  2  0  0  0  0
  7  4  2  0  0  0  0
  8  3  1  0  0  0  0
  9  8  2  0  0  0  0
 10  7  1  0  0  0  0
 11  5  1  0  0  0  0
 12  2  1  0  0  0  0
 13 10  2  0  0  0  0
 14 10  1  0  0  0  0
 15 17  1  0  0  0  0
 16 13  1  0  0  0  0
 17 14  2  0  0  0  0
 18 15  1  0  0  0  0
 19 11  1  0  0  0  0
 20 11  2  0  0  0  0
 21 18  1  0  0  0  0
 22 20  1  0  0  0  0
 23 19  2  0  0  0  0
 24 22  2  0  0  0  0
  6  7  1  0  0  0  0
  5  9  1  0  0  0  0
 15 16  2  0  0  0  0
 24 23  1  0  0  0  0
M  END
>  <Mol_ID> (6,451)
6451

>  <Formula> (6,451)
C19H16N4O

>  <MolWeight> (6,451)
316.35654

>  <COMPOUND_NAME> (6,451)
WAY-607113

>  <BAR_CODE_NO> (6,451)
90440759

$$$$
WAY-606551
csChFnd80/06171916332D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -0.5333   -0.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542   -0.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7875    0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542   -1.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333    0.8500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208   -1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958    1.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333   -1.8792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083    2.3083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2750    1.8958    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667   -2.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958    0.4083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958    2.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2750    2.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6792   -0.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6792   -1.6292    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.3917   -2.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  1  2  0  0  0  0
  7  5  1  0  0  0  0
  8  6  1  0  0  0  0
  9  7  2  0  0  0  0
 10  7  1  0  0  0  0
 11  2  1  0  0  0  0
 12  4  1  0  0  0  0
 13  3  2  0  0  0  0
 14  9  1  0  0  0  0
 15 10  1  0  0  0  0
 16 11  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
  4  8  1  0  0  0  0
 17 12  1  0  0  0  0
 15 14  2  0  0  0  0
M  END
>  <Mol_ID> (6,452)
6452

>  <Formula> (6,452)
C13H14N2OS2

>  <MolWeight> (6,452)
278.39306

>  <COMPOUND_NAME> (6,452)
WAY-606551

>  <BAR_CODE_NO> (6,452)
90440187

$$$$
WAY-606558
csChFnd80/06171916332D

 29 31  0  0  0  0  0  0  0  0999 V2000
    2.0875    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0875    1.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8042    2.8333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5167    1.5958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5167    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8042    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042    2.6750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042    1.3458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167    2.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0500    0.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1375   -2.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2292    2.8333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8042    0.3583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417    0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9458   -2.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5833   -2.9250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8042    3.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2292    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1958   -3.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4958   -1.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0125   -0.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5583   -2.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8833   -1.5250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3000   -2.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0083   -3.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3625   -2.9917    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.8208   -0.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0750   -1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  7  2  0  0  0  0
 10  8  1  0  0  0  0
 11 24  1  0  0  0  0
 12  5  2  0  0  0  0
 13  6  2  0  0  0  0
 14 10  1  0  0  0  0
 15 11  1  0  0  0  0
 16 11  2  0  0  0  0
 17 14  2  0  0  0  0
 18  3  1  0  0  0  0
 19  4  1  0  0  0  0
 20 15  2  0  0  0  0
 21 15  1  0  0  0  0
 22 14  1  0  0  0  0
 23 25  1  0  0  0  0
 24 29  1  0  0  0  0
 25 21  2  0  0  0  0
 26 20  1  0  0  0  0
 27 23  1  0  0  0  0
 28 22  1  0  0  0  0
 29 28  1  0  0  0  0
  8  9  1  0  0  0  0
  4  6  1  0  0  0  0
 23 26  2  0  0  0  0
M  END
>  <Mol_ID> (6,453)
6453

>  <Formula> (6,453)
C18H18ClN5O5

>  <MolWeight> (6,453)
419.81902

>  <COMPOUND_NAME> (6,453)
WAY-606558

>  <BAR_CODE_NO> (6,453)
90440194

$$$$
WAY-606575
csChFnd80/06171916332D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -1.9375   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1500   -1.5042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9375   -0.4250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708   -0.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1500   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7208   -1.5042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7208   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2083   -0.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667   -0.1250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542   -0.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3917   -0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6292    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3917    1.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0417    1.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6292    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  6  1  0  0  0  0
  9 10  1  0  0  0  0
 10  4  1  0  0  0  0
 11 12  1  0  0  0  0
 12  9  1  0  0  0  0
 13 11  1  0  0  0  0
 14 11  2  0  0  0  0
 15 14  1  0  0  0  0
 16 13  2  0  0  0  0
 17 15  2  0  0  0  0
  8  7  2  0  0  0  0
  5  4  2  0  0  0  0
 17 16  1  0  0  0  0
M  END
>  <Mol_ID> (6,454)
6454

>  <Formula> (6,454)
C13H12N2S2

>  <MolWeight> (6,454)
260.37778

>  <COMPOUND_NAME> (6,454)
WAY-606575

>  <BAR_CODE_NO> (6,454)
90440211

$$$$
WAY-606635
csChFnd80/06171916332D

 34 38  0  0  0  0  0  0  0  0999 V2000
    1.2250   -1.1667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2250   -2.8167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083    2.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5125   -1.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9417   -1.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6333    1.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2250   -0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6333    2.1333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9417   -2.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5125   -2.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083    1.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208    2.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3458    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4333    0.0708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5125    0.8958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5125    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208    0.8958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1000    1.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9417    0.0708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333    1.3083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2458   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6583    0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5125    2.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6542   -1.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083   -1.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083   -2.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6542   -2.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208    3.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5125    3.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208   -1.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3667   -1.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3667   -2.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208   -2.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083    3.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  9  1  0  0  0  0
  3 11  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  8  1  0  0  0  0
  7  1  1  0  0  0  0
  8 12  1  0  0  0  0
  9  5  2  0  0  0  0
 10  4  2  0  0  0  0
 11 15  1  0  0  0  0
 12  3  2  0  0  0  0
 13  6  1  0  0  0  0
 14 13  1  0  0  0  0
 15 16  1  0  0  0  0
 16  7  1  0  0  0  0
 17  6  2  0  0  0  0
 18 13  2  0  0  0  0
 19  7  2  0  0  0  0
 20 11  2  0  0  0  0
 21 14  1  0  0  0  0
 22 18  1  0  0  0  0
 23  3  1  0  0  0  0
 24  5  1  0  0  0  0
 25  4  1  0  0  0  0
 26 10  1  0  0  0  0
 27  9  1  0  0  0  0
 28 12  1  0  0  0  0
 29 23  2  0  0  0  0
 30 25  2  0  0  0  0
 31 24  2  0  0  0  0
 32 31  1  0  0  0  0
 33 30  1  0  0  0  0
 34 29  1  0  0  0  0
  2 10  1  0  0  0  0
 32 27  2  0  0  0  0
 33 26  2  0  0  0  0
 34 28  2  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (6,455)
6455

>  <Formula> (6,455)
C26H18N2O5S

>  <MolWeight> (6,455)
470.49652

>  <COMPOUND_NAME> (6,455)
WAY-606635

>  <BAR_CODE_NO> (6,455)
90440272

$$$$
WAY-606650
csChFnd80/06171916332D

 28 32  0  0  0  0  0  0  0  0999 V2000
    0.3167   -0.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.8833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958   -0.5250    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.6250    0.1708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042    0.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958   -1.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667   -0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083   -1.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083   -0.1125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8250   -1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8250   -0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083   -2.5875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5375   -1.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5375   -0.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7792   -0.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9292    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0375    2.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2583   -1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2583   -0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6500    2.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6000   -0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500    0.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6083    1.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333    2.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0875   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  2  0  0  0  0
  3  1  1  0  0  0  0
  4  7  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  1  2  0  0  0  0
  8  6  1  0  0  0  0
  9  3  1  0  0  0  0
 10 11  2  0  0  0  0
 11  9  1  0  0  0  0
 12  4  1  0  0  0  0
 13  8  2  0  0  0  0
 14  5  1  0  0  0  0
 15 10  1  0  0  0  0
 16 11  1  0  0  0  0
 17 12  1  0  0  0  0
 18 12  2  0  0  0  0
 19 14  2  0  0  0  0
 20 14  1  0  0  0  0
 21 22  1  0  0  0  0
 22 16  2  0  0  0  0
 23 20  2  0  0  0  0
 24 17  2  0  0  0  0
 25 18  1  0  0  0  0
 26 19  1  0  0  0  0
 27 23  1  0  0  0  0
 28 25  2  0  0  0  0
  2  4  1  0  0  0  0
 10  8  1  0  0  0  0
 27 26  2  0  0  0  0
 28 24  1  0  0  0  0
 21 15  2  0  0  0  0
M  END
>  <Mol_ID> (6,456)
6456

>  <Formula> (6,456)
C23H18N4O

>  <MolWeight> (6,456)
366.41522

>  <COMPOUND_NAME> (6,456)
WAY-606650

>  <BAR_CODE_NO> (6,456)
90440287

$$$$
WAY-606724
csChFnd80/06171916332D

 25 28  0  0  0  0  0  0  0  0999 V2000
    0.3625   -0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208   -0.6792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208    0.6583    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1875   -0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083   -0.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5750    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6750   -0.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292   -1.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5750   -0.9042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0708    3.0208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167   -1.4625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6750    0.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4875    1.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4542   -0.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1583    2.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4542    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208    3.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208   -2.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9417   -1.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7333    2.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6458    2.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1917   -2.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1625   -2.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6417   -3.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  1  2  0  0  0  0
  6  2  1  0  0  0  0
  7  4  2  0  0  0  0
  8  5  1  0  0  0  0
  9  2  1  0  0  0  0
 10  6  2  0  0  0  0
 11 16  1  0  0  0  0
 12  8  2  0  0  0  0
 13  5  1  0  0  0  0
 14  7  1  0  0  0  0
 15  8  1  0  0  0  0
 16 14  2  0  0  0  0
 17 13  1  0  0  0  0
 18 22  1  0  0  0  0
 19  9  1  0  0  0  0
 20  9  2  0  0  0  0
 21 14  1  0  0  0  0
 22 21  2  0  0  0  0
 23 20  1  0  0  0  0
 24 19  2  0  0  0  0
 25 23  2  0  0  0  0
  6  4  1  0  0  0  0
 17 15  1  0  0  0  0
 25 24  1  0  0  0  0
 18 11  2  0  0  0  0
M  END
>  <Mol_ID> (6,457)
6457

>  <Formula> (6,457)
C20H16N2O2S

>  <MolWeight> (6,457)
348.41824

>  <COMPOUND_NAME> (6,457)
WAY-606724

>  <BAR_CODE_NO> (6,457)
90440361

$$$$
WAY-606758
csChFnd80/06171916332D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -0.7123   -0.6404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9456    0.0846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1123    0.0721    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5252    0.0471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9044   -0.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6623   -0.3029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6456    0.5221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1002   -0.6612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1456   -1.3612    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0919   -0.5529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1252    0.4346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4752   -0.9529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1498    0.5096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1794    0.5471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0669    1.2971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9044    1.3221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  8  1  0  0  0  0
  5 10  1  0  0  0  0
  6  2  1  0  0  0  0
  7  2  1  0  0  0  0
  8  1  1  0  0  0  0
  9  1  2  0  0  0  0
 10  4  1  0  0  0  0
 11  5  2  0  0  0  0
 12  5  1  0  0  0  0
 13  4  1  0  0  0  0
 14  4  1  0  0  0  0
 15 13  1  0  0  0  0
 16 14  1  0  0  0  0
  6  7  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (6,458)
6458

>  <Formula> (6,458)
C12H19NO3

>  <MolWeight> (6,458)
225.28416

>  <COMPOUND_NAME> (6,458)
WAY-606758

>  <BAR_CODE_NO> (6,458)
90440397

$$$$
WAY-606801
csChFnd80/06171916332D

 21 22  0  0  0  0  0  0  0  0999 V2000
    0.3375    0.9833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3375    0.1583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3375    1.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750   -3.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1625    0.9833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4875    0.9833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750   -2.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3375   -3.9667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0542    2.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750    2.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3375   -2.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958   -2.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958   -3.9667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3375    3.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0542    3.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750    3.0458    0.0000 C   0  0  0  0  0  0  0 